smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(C(=O)Nc2n[nH]c(-c3ccccc3)n2)sc1C ZINC000025155839 1013389565 /nfs/dbraw/zinc/38/95/65/1013389565.db2.gz LDTQOFQIZNYDHL-UHFFFAOYSA-N 0 0 312.398 3.656 50 0 DHAARN CC[C@@H](C(=O)Nc1sc(C)c(C)c1C(N)=O)c1ccccc1 ZINC000003100688 1013594013 /nfs/dbraw/zinc/59/40/13/1013594013.db2.gz UAYQOZUPCRIYCI-CYBMUJFWSA-N 0 0 316.426 3.596 50 0 DHAARN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1nc(C(C)=O)cs1 ZINC000331302704 1013874671 /nfs/dbraw/zinc/87/46/71/1013874671.db2.gz XMJAPBYGDSXXQW-OSMZGAPFSA-N 0 0 324.446 3.658 50 0 DHAARN CO[C@H]1C(C)=C(c2ccccc2F)C(=O)N1Cc1ccccc1 ZINC000022171059 1013923877 /nfs/dbraw/zinc/92/38/77/1013923877.db2.gz YQRMSFXWRCCGEW-IBGZPJMESA-N 0 0 311.356 3.614 50 0 DHAARN O=C(Nc1cnccc1Oc1ccccc1)c1cncc(F)c1 ZINC000177696951 1014010264 /nfs/dbraw/zinc/01/02/64/1014010264.db2.gz NRICKWHWZRLEOV-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN Clc1c2ccccc2sc1CN1CCOC[C@]12CCOC2 ZINC000193728735 1014059610 /nfs/dbraw/zinc/05/96/10/1014059610.db2.gz STWPFNOBFKNZDB-MRXNPFEDSA-N 0 0 323.845 3.546 50 0 DHAARN COc1ccc([C@H](NC(=O)Cc2ccsc2)C2CC2)cc1 ZINC000012745805 1014335810 /nfs/dbraw/zinc/33/58/10/1014335810.db2.gz USBQCLBMWIBKKQ-QGZVFWFLSA-N 0 0 301.411 3.567 50 0 DHAARN O=C(/C=C\c1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000050776116 1014591187 /nfs/dbraw/zinc/59/11/87/1014591187.db2.gz QFDOQJQKCNJMCA-SQVRQVGWSA-N 0 0 317.392 3.940 50 0 DHAARN O=C(Nc1ccc2ncsc2c1)[C@@H]1CCCc2cccnc21 ZINC000194022755 1015551487 /nfs/dbraw/zinc/55/14/87/1015551487.db2.gz YVDQRGQPVRGAOH-CYBMUJFWSA-N 0 0 309.394 3.750 50 0 DHAARN CC1(C)CCCC[C@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000194177810 1015848324 /nfs/dbraw/zinc/84/83/24/1015848324.db2.gz BPDSWHBJSXUBMF-VIFPVBQESA-N 0 0 320.380 3.995 50 0 DHAARN CCCNC(=O)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1 ZINC000065178183 1015921070 /nfs/dbraw/zinc/92/10/70/1015921070.db2.gz MMGPCZPTZCWMLU-UHFFFAOYSA-N 0 0 323.440 3.879 50 0 DHAARN CCn1ncc(Cl)c1C(=O)Nc1ccccc1C(F)(F)F ZINC000002767632 1016254348 /nfs/dbraw/zinc/25/43/48/1016254348.db2.gz XFVRBNMTHWNRFH-UHFFFAOYSA-N 0 0 317.698 3.828 50 0 DHAARN Cc1cccc2[nH]c(CCC(=O)NCC3(C4CC4)CCC3)nc21 ZINC000120729794 1016643452 /nfs/dbraw/zinc/64/34/52/1016643452.db2.gz OAHHJLRFYIXWDZ-UHFFFAOYSA-N 0 0 311.429 3.500 50 0 DHAARN NC(=O)c1cc2ccccc2o/c1=N\c1cccc2ccccc21 ZINC000000178588 1016780760 /nfs/dbraw/zinc/78/07/60/1016780760.db2.gz PLSXYDOZCPRNKE-XDOYNYLZSA-N 0 0 314.344 3.917 50 0 DHAARN O=C(N1CC(C(F)F)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000585391452 1032505604 /nfs/dbraw/zinc/50/56/04/1032505604.db2.gz LQTGPGLOIWIMKL-UHFFFAOYSA-N 0 0 313.775 3.875 50 0 DHAARN CC(C)c1ncsc1C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000634532865 1032651417 /nfs/dbraw/zinc/65/14/17/1032651417.db2.gz CBJILKQAPOQAHM-GFCCVEGCSA-N 0 0 310.369 3.846 50 0 DHAARN CC(C)(C)N1CC[C@H]1c1nc(-c2nccc3ccccc32)no1 ZINC000952881905 1032668168 /nfs/dbraw/zinc/66/81/68/1032668168.db2.gz KGIZPAQXIKEIGD-AWEZNQCLSA-N 0 0 308.385 3.830 50 0 DHAARN COc1ccc(C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 ZINC000952963374 1032672034 /nfs/dbraw/zinc/67/20/34/1032672034.db2.gz PJUGGVGZPWJZGX-UHFFFAOYSA-N 0 0 314.724 3.686 50 0 DHAARN CC(C)c1csc(CNCc2ccc3nsnc3c2)n1 ZINC000952966627 1032673108 /nfs/dbraw/zinc/67/31/08/1032673108.db2.gz KPMGMNKBBGFBAC-UHFFFAOYSA-N 0 0 304.444 3.561 50 0 DHAARN C[C@H](NCc1ccc(-c2cccc(Cl)c2)o1)c1nncn1C ZINC000952972016 1032676243 /nfs/dbraw/zinc/67/62/43/1032676243.db2.gz AMTFHRVJCBTBFH-NSHDSACASA-N 0 0 316.792 3.579 50 0 DHAARN CCOC1CCN(C(=O)[C@H](C)Sc2ccc(C)cc2)CC1 ZINC000952974386 1032676597 /nfs/dbraw/zinc/67/65/97/1032676597.db2.gz UTWMTGBWIZPDOH-AWEZNQCLSA-N 0 0 307.459 3.503 50 0 DHAARN CCc1nccn1CCC(=O)Nc1ccc2c(cc(C)n2CC)c1 ZINC000952977664 1032678425 /nfs/dbraw/zinc/67/84/25/1032678425.db2.gz RBDUPKFVNZBGNZ-UHFFFAOYSA-N 0 0 324.428 3.757 50 0 DHAARN Cc1cc(C)nc(SCCCSc2nc(C)cc(C)n2)n1 ZINC000003634294 1013041693 /nfs/dbraw/zinc/04/16/93/1013041693.db2.gz CJPQTYVDZBGCFN-UHFFFAOYSA-N 0 0 320.487 3.775 50 0 DHAARN CC(=O)c1cc(C(=O)Nc2cccc(-c3c[nH]cn3)c2)cs1 ZINC000952978118 1032679565 /nfs/dbraw/zinc/67/95/65/1032679565.db2.gz KLGLBEFANOVDDP-UHFFFAOYSA-N 0 0 311.366 3.593 50 0 DHAARN COc1ccc(-c2ccc(C(=O)N3CC=C[C@@H]3C(C)C)o2)cc1 ZINC000952978020 1032679614 /nfs/dbraw/zinc/67/96/14/1032679614.db2.gz PLMMRRSIPJMYMD-MRXNPFEDSA-N 0 0 311.381 3.992 50 0 DHAARN Cc1n[nH]cc1CN(C)C(=O)c1ccccc1-c1ccccc1 ZINC000952966771 1032679960 /nfs/dbraw/zinc/67/99/60/1032679960.db2.gz JXMJJMFNOFCVTF-UHFFFAOYSA-N 0 0 305.381 3.657 50 0 DHAARN O=C(c1ccco1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000035281450 1017190146 /nfs/dbraw/zinc/19/01/46/1017190146.db2.gz RDQHRGGNPABBMH-CQSZACIVSA-N 0 0 323.352 3.697 50 0 DHAARN CCN(C(=O)c1cc(Cl)ccn1)[C@@H](C)Cc1ccsc1 ZINC000186343804 1017193723 /nfs/dbraw/zinc/19/37/23/1017193723.db2.gz HNQOYSFEVYHSJW-NSHDSACASA-N 0 0 308.834 3.890 50 0 DHAARN CC[C@@H](NCc1ccc(-c2cc[nH]n2)o1)c1nc(C)c(C)s1 ZINC000952989030 1032686474 /nfs/dbraw/zinc/68/64/74/1032686474.db2.gz GTZHJNHOWPCTPI-CYBMUJFWSA-N 0 0 316.430 3.984 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)[C@H](CC(C)C)n2cccc2)cc1 ZINC000575443122 1017640851 /nfs/dbraw/zinc/64/08/51/1017640851.db2.gz VEDDOYBCTGWBBJ-KRWDZBQOSA-N 0 0 313.401 3.672 50 0 DHAARN C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1cccs1 ZINC000074856731 1017654372 /nfs/dbraw/zinc/65/43/72/1017654372.db2.gz DRXLCURXLNHSSY-JTQLQIEISA-N 0 0 315.847 3.582 50 0 DHAARN Cc1cccc2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12 ZINC000012946014 1017872967 /nfs/dbraw/zinc/87/29/67/1017872967.db2.gz QRJBNDMHHDKDAB-UHFFFAOYSA-N 0 0 322.295 3.958 50 0 DHAARN COc1ccccc1NC(=O)NC(=O)c1cccc2ccccc21 ZINC000023115208 1017876795 /nfs/dbraw/zinc/87/67/95/1017876795.db2.gz BDBGUPDLOIDWAV-UHFFFAOYSA-N 0 0 320.348 3.810 50 0 DHAARN CCN(CC)c1ncccc1CNCc1cc2ccccc2o1 ZINC000012474711 1017881002 /nfs/dbraw/zinc/88/10/02/1017881002.db2.gz YEUOLYOHYBODLL-UHFFFAOYSA-N 0 0 309.413 3.964 50 0 DHAARN Cc1[nH]c([C@@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(C)cc1 ZINC000023153625 1018000502 /nfs/dbraw/zinc/00/05/02/1018000502.db2.gz FDPUNOUGWMYGQB-MRXNPFEDSA-N 0 0 311.429 3.665 50 0 DHAARN Cc1nc(S[C@H](C)c2cn(-c3ccccc3)nn2)oc1C ZINC000089558665 1032748083 /nfs/dbraw/zinc/74/80/83/1032748083.db2.gz UFKDLWDOSSTLNJ-GFCCVEGCSA-N 0 0 300.387 3.725 50 0 DHAARN Cc1cc(C)c(NC(=O)NC2(CCO)CCCCC2)c(C)c1 ZINC000089568800 1032762582 /nfs/dbraw/zinc/76/25/82/1032762582.db2.gz IPXMMEOVIJENBD-UHFFFAOYSA-N 0 0 304.434 3.819 50 0 DHAARN COc1cccc(/C=C\C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000052567916 1018671483 /nfs/dbraw/zinc/67/14/83/1018671483.db2.gz MGZBSUNGGYWERR-FMFIFOJESA-N 0 0 313.422 3.916 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000033730244 1018898577 /nfs/dbraw/zinc/89/85/77/1018898577.db2.gz KDDYVMFTVAWAAL-WDZFZDKYSA-N 0 0 314.772 3.950 50 0 DHAARN Cc1ccsc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000011740123 1019150758 /nfs/dbraw/zinc/15/07/58/1019150758.db2.gz HTQNJFSTTXHNPJ-UHFFFAOYSA-N 0 0 314.410 3.744 50 0 DHAARN CC[C@H](C)n1ncc(C(=O)NCCc2c[nH]c3ccccc23)c1C ZINC000252495065 1019305484 /nfs/dbraw/zinc/30/54/84/1019305484.db2.gz OMAJCSSVACFWGT-ZDUSSCGKSA-N 0 0 324.428 3.616 50 0 DHAARN Cc1cc(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)on1 ZINC000252504775 1019312484 /nfs/dbraw/zinc/31/24/84/1019312484.db2.gz VKYQLKVXVMLSRM-NSHDSACASA-N 0 0 321.327 3.673 50 0 DHAARN COc1ccc(-c2cnnc(NC[C@H](C)c3ccccc3)n2)cc1 ZINC000011842731 1019340992 /nfs/dbraw/zinc/34/09/92/1019340992.db2.gz UZGJFRDDODMRDL-AWEZNQCLSA-N 0 0 320.396 3.763 50 0 DHAARN COC(=O)c1ccc(OCC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000010794661 1019710780 /nfs/dbraw/zinc/71/07/80/1019710780.db2.gz KLWUUWMHPZTPSQ-UHFFFAOYSA-N 0 0 312.365 3.660 50 0 DHAARN CSCC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012204388 1019914953 /nfs/dbraw/zinc/91/49/53/1019914953.db2.gz XKFUIFMPHUMDSK-MRXNPFEDSA-N 0 0 306.475 3.576 50 0 DHAARN COCc1nc(CN2C[C@@H](C)Oc3ccc(Cl)cc32)cs1 ZINC000076005257 1019919616 /nfs/dbraw/zinc/91/96/16/1019919616.db2.gz ZVOSVEUZQSGASM-SNVBAGLBSA-N 0 0 324.833 3.730 50 0 DHAARN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1cccnc1 ZINC000076467518 1019921328 /nfs/dbraw/zinc/92/13/28/1019921328.db2.gz UMHWBIQCPTWKFY-AWEZNQCLSA-N 0 0 316.832 3.757 50 0 DHAARN CC(C)(C)c1ccc2c(c1)CCN2C(=O)CCc1ccccn1 ZINC000194778896 1019990383 /nfs/dbraw/zinc/99/03/83/1019990383.db2.gz UOQLWZZDAAZDTM-UHFFFAOYSA-N 0 0 308.425 3.901 50 0 DHAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C ZINC000822816019 1020367854 /nfs/dbraw/zinc/36/78/54/1020367854.db2.gz ZZQGTBUCOMRYMB-UHFFFAOYSA-N 0 0 300.358 3.969 50 0 DHAARN Cc1nnc(CN2CCCCC[C@@H]2/C=C/c2cccs2)o1 ZINC000096008643 1020376695 /nfs/dbraw/zinc/37/66/95/1020376695.db2.gz PJDYTZAEYUFKJF-MYSGNRETSA-N 0 0 303.431 3.898 50 0 DHAARN CCCCn1nc(CC(C)C)nc1-c1c[nH]c(=O)c(Cl)c1 ZINC000822888902 1020378805 /nfs/dbraw/zinc/37/88/05/1020378805.db2.gz VIASVKXCFIJWOX-UHFFFAOYSA-N 0 0 308.813 3.698 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(C)o1 ZINC000079318809 1020482664 /nfs/dbraw/zinc/48/26/64/1020482664.db2.gz GPSKZOGYGRRNHB-INIZCTEOSA-N 0 0 315.369 3.707 50 0 DHAARN Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccncc1 ZINC000534343098 1020485289 /nfs/dbraw/zinc/48/52/89/1020485289.db2.gz VQEPOXMWFINFDB-GOSISDBHSA-N 0 0 306.413 3.696 50 0 DHAARN COc1ccccc1Cc1nc(-c2ccc(C)n2C(F)F)n[nH]1 ZINC000824821887 1020590412 /nfs/dbraw/zinc/59/04/12/1020590412.db2.gz QLWXGWAJRMIOSD-UHFFFAOYSA-N 0 0 318.327 3.576 50 0 DHAARN CSCc1ccc(-c2ncnn2C2Cc3ccccc3C2)o1 ZINC000824920080 1020602057 /nfs/dbraw/zinc/60/20/57/1020602057.db2.gz CJXWBHCUWFFMHS-UHFFFAOYSA-N 0 0 311.410 3.741 50 0 DHAARN O=C(Nc1cc(Cl)ccn1)c1cc2ccccc2c(=O)s1 ZINC000825601665 1020663009 /nfs/dbraw/zinc/66/30/09/1020663009.db2.gz WERYSSOBRPAGEN-UHFFFAOYSA-N 0 0 316.769 3.562 50 0 DHAARN Cc1cnc(-c2ccccc2)n1[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000581807416 1020909599 /nfs/dbraw/zinc/90/95/99/1020909599.db2.gz JAFIQCNVADKASB-INIZCTEOSA-N 0 0 321.380 3.539 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000096551278 1032951104 /nfs/dbraw/zinc/95/11/04/1032951104.db2.gz NTIMZQFOIZHGPJ-YHYXMXQVSA-N 0 0 314.772 3.950 50 0 DHAARN Cc1ccc(CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000036247077 1021289370 /nfs/dbraw/zinc/28/93/70/1021289370.db2.gz YAXIWOIWQCZDOC-UHFFFAOYSA-N 0 0 309.818 3.615 50 0 DHAARN O=c1[nH]c(C=Cc2ccccc2OC(F)F)nc2ccccc12 ZINC000033470945 1021441554 /nfs/dbraw/zinc/44/15/54/1021441554.db2.gz LIHGMBGJCVMIKH-KTKRTIGZSA-N 0 0 314.291 3.695 50 0 DHAARN O=C(/C=C\c1ccc(OC(F)F)cc1)NCc1cccs1 ZINC000033527776 1021507369 /nfs/dbraw/zinc/50/73/69/1021507369.db2.gz DFLQOQBVKHBNJD-YVMONPNESA-N 0 0 309.337 3.679 50 0 DHAARN CC(=O)Nc1ccc(/C=C\C(=O)OCc2cccc(F)c2)cc1 ZINC000066779068 1021641097 /nfs/dbraw/zinc/64/10/97/1021641097.db2.gz MPWDIUOBUKMGRR-YFHOEESVSA-N 0 0 313.328 3.541 50 0 DHAARN CC(C)N1C(=O)C(CC(=O)Nc2ccccc2)=C2CCCC[C@@H]21 ZINC000581792410 1021845241 /nfs/dbraw/zinc/84/52/41/1021845241.db2.gz GQQIJRASZHYPQI-KRWDZBQOSA-N 0 0 312.413 3.505 50 0 DHAARN CC[C@@H](C)NC(=O)N1CCC(Cc2ccc(COC)cc2)CC1 ZINC000581810416 1021849857 /nfs/dbraw/zinc/84/98/57/1021849857.db2.gz RNQQVLYCJZQXHV-OAHLLOKOSA-N 0 0 318.461 3.596 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)/C=C\c2cccs2)cc1 ZINC000006233497 1033469179 /nfs/dbraw/zinc/46/91/79/1033469179.db2.gz PCSKWRHNPYKODH-KTKRTIGZSA-N 0 0 301.367 3.577 50 0 DHAARN CC(C)C(=O)N1CCCCC[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000257184536 1022227601 /nfs/dbraw/zinc/22/76/01/1022227601.db2.gz IQDXFEPUAXBTOS-OAHLLOKOSA-N 0 0 313.401 3.836 50 0 DHAARN CC[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(C)c(O)c1 ZINC000186036695 1022544418 /nfs/dbraw/zinc/54/44/18/1022544418.db2.gz LGCVCNTXNRYIBQ-SFHVURJKSA-N 0 0 309.409 3.607 50 0 DHAARN C[C@@H](c1ccccn1)N(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180052262 1022618478 /nfs/dbraw/zinc/61/84/78/1022618478.db2.gz XDRGCPKAVZOHET-AWEZNQCLSA-N 0 0 307.397 3.715 50 0 DHAARN C[C@H](c1ccccn1)N(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180052278 1022618877 /nfs/dbraw/zinc/61/88/77/1022618877.db2.gz XDRGCPKAVZOHET-CQSZACIVSA-N 0 0 307.397 3.715 50 0 DHAARN Cc1ccc2c(cnn2CCC(=O)N[C@H](C)c2cccs2)c1 ZINC000675029839 1022769629 /nfs/dbraw/zinc/76/96/29/1022769629.db2.gz QLQOQXIVGUTXNA-CYBMUJFWSA-N 0 0 313.426 3.674 50 0 DHAARN Cc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@@H]1C ZINC000007878276 1022842247 /nfs/dbraw/zinc/84/22/47/1022842247.db2.gz REVNKJMPMDSWAO-AWEZNQCLSA-N 0 0 314.454 3.923 50 0 DHAARN C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1Cl ZINC000007878286 1022842367 /nfs/dbraw/zinc/84/23/67/1022842367.db2.gz PDMJPEYUJYSBGH-NSHDSACASA-N 0 0 320.845 3.959 50 0 DHAARN CC[C@H]1CN(Cc2ccccn2)Cc2ccc(Cl)cc2O1 ZINC000299776593 1023303838 /nfs/dbraw/zinc/30/38/38/1023303838.db2.gz DIAGICOQBLYHOC-INIZCTEOSA-N 0 0 302.805 3.908 50 0 DHAARN O=C(Nc1cccc(COCc2ccco2)c1)N1CCCC1 ZINC000047602501 1023359547 /nfs/dbraw/zinc/35/95/47/1023359547.db2.gz XVWZLQIIJCNSBE-UHFFFAOYSA-N 0 0 300.358 3.624 50 0 DHAARN COc1ccccc1Oc1ncnc(-c2ccc(C)cc2)c1N ZINC000107133900 1023406792 /nfs/dbraw/zinc/40/67/92/1023406792.db2.gz SGMSJMPBGUIQME-UHFFFAOYSA-N 0 0 307.353 3.835 50 0 DHAARN CCc1nc(NC(=O)CCc2ccc(OC)cc2)sc1C ZINC000044701553 1023503751 /nfs/dbraw/zinc/50/37/51/1023503751.db2.gz HRSFSTVTXUUKGG-UHFFFAOYSA-N 0 0 304.415 3.594 50 0 DHAARN Cc1cccc(-n2nnnc2C2(Nc3ccccc3)CCCC2)c1 ZINC000046078337 1023663210 /nfs/dbraw/zinc/66/32/10/1023663210.db2.gz CFESBJRDJRBWLI-UHFFFAOYSA-N 0 0 319.412 3.852 50 0 DHAARN CCCCc1noc([C@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000046087218 1023664976 /nfs/dbraw/zinc/66/49/76/1023664976.db2.gz LMUQOTVTRIVHDZ-CQSZACIVSA-N 0 0 305.422 3.656 50 0 DHAARN CC(C)(C)C[C@@H](NC(=O)c1cnccn1)c1ccc(F)cc1 ZINC000048363638 1023741755 /nfs/dbraw/zinc/74/17/55/1023741755.db2.gz PQDLIDATGYHNOZ-CQSZACIVSA-N 0 0 301.365 3.523 50 0 DHAARN C[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000048681204 1023804569 /nfs/dbraw/zinc/80/45/69/1023804569.db2.gz BSUNDJGHAJTPRZ-CYBMUJFWSA-N 0 0 312.804 3.772 50 0 DHAARN CC(C)c1nn(C)c(Cl)c1CN[C@@H]1CCOc2ccccc21 ZINC000048686548 1023805227 /nfs/dbraw/zinc/80/52/27/1023805227.db2.gz LHRPRCYVPGYTGI-CQSZACIVSA-N 0 0 319.836 3.810 50 0 DHAARN Cc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)no1 ZINC000048985337 1023833867 /nfs/dbraw/zinc/83/38/67/1023833867.db2.gz GQTKTEMDPSJGGU-UHFFFAOYSA-N 0 0 320.392 3.821 50 0 DHAARN O=[N+]([O-])c1cccc(NN=Cc2cccc(Br)c2)c1 ZINC000254372030 1023949859 /nfs/dbraw/zinc/94/98/59/1023949859.db2.gz MXZRRTUYYJLHNN-UHFFFAOYSA-N 0 0 320.146 3.803 50 0 DHAARN O=C(NCCc1nccs1)Nc1cc(Cl)ccc1Cl ZINC000051582621 1024272270 /nfs/dbraw/zinc/27/22/70/1024272270.db2.gz DBWRXMTWLTVIHR-UHFFFAOYSA-N 0 0 316.213 3.814 50 0 DHAARN O=C1OC(c2ccccc2)=N/C1=C/c1c(F)cccc1Cl ZINC000000099371 1024283570 /nfs/dbraw/zinc/28/35/70/1024283570.db2.gz DJXHAHGWEYUHIN-NTEUORMPSA-N 0 0 301.704 3.824 50 0 DHAARN CC[C@H](C)N(C)C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000051648892 1024321858 /nfs/dbraw/zinc/32/18/58/1024321858.db2.gz WEBHUQSMZRLGDH-AWEZNQCLSA-N 0 0 321.490 3.810 50 0 DHAARN Cc1ccc(NC(=O)c2cnc3ccccc3c2O)cc1Cl ZINC000031544747 1024519607 /nfs/dbraw/zinc/51/96/07/1024519607.db2.gz BRXDIKJGVOMJFP-UHFFFAOYSA-N 0 0 312.756 3.742 50 0 DHAARN Cc1ccc(CN(Cc2ccccn2)C[C@H]2CCCO2)s1 ZINC000216043309 1024526673 /nfs/dbraw/zinc/52/66/73/1024526673.db2.gz TZOBXVYLQBPWHV-MRXNPFEDSA-N 0 0 302.443 3.633 50 0 DHAARN CCn1ccnc1CN(C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000216076805 1024527098 /nfs/dbraw/zinc/52/70/98/1024527098.db2.gz GPMCIAUSKPEKNU-HNNXBMFYSA-N 0 0 319.474 3.838 50 0 DHAARN CCn1ccnc1CN(C)Cc1ccc2cc(Cl)ccc2n1 ZINC000215949576 1024527776 /nfs/dbraw/zinc/52/77/76/1024527776.db2.gz UZZMARRSQDLIKL-UHFFFAOYSA-N 0 0 314.820 3.737 50 0 DHAARN COc1ccccc1C[C@H](C)N(C)Cc1coc(C(C)C)n1 ZINC000220052376 1024570880 /nfs/dbraw/zinc/57/08/80/1024570880.db2.gz SXHWZNPUKWMTKL-AWEZNQCLSA-N 0 0 302.418 3.870 50 0 DHAARN COC(=O)c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 ZINC000221525914 1024575298 /nfs/dbraw/zinc/57/52/98/1024575298.db2.gz IFKGSVWSGGJTLW-UHFFFAOYSA-N 0 0 324.302 3.620 50 0 DHAARN Cc1ccc(C(=O)NCCc2c[nH]c(-c3ccc(C)cc3)n2)cc1 ZINC000013608595 1024837052 /nfs/dbraw/zinc/83/70/52/1024837052.db2.gz IRSOCWJDXYFULV-UHFFFAOYSA-N 0 0 319.408 3.666 50 0 DHAARN Cc1nc([C@@H](C)NC(=O)CCc2ccccc2Cl)cs1 ZINC000214991657 1025053565 /nfs/dbraw/zinc/05/35/65/1025053565.db2.gz DFXGFRKMWIDRFJ-SNVBAGLBSA-N 0 0 308.834 3.915 50 0 DHAARN COc1cccc2cc([C@H](C)NC(=O)CCc3cccnc3)oc21 ZINC000025140623 1025220281 /nfs/dbraw/zinc/22/02/81/1025220281.db2.gz VSIWKNZVYXECFQ-ZDUSSCGKSA-N 0 0 324.380 3.646 50 0 DHAARN O=S(=O)(Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000555096677 1025520507 /nfs/dbraw/zinc/52/05/07/1025520507.db2.gz CVKLYUJOHSTVLZ-UHFFFAOYSA-N 0 0 301.194 3.967 50 0 DHAARN Cc1ccc(CN(C)C(=O)N[C@@H]2CCCc3ccc(C)cc32)nc1 ZINC000239637072 1025526624 /nfs/dbraw/zinc/52/66/24/1025526624.db2.gz BIRHKNPQHWWSTP-LJQANCHMSA-N 0 0 323.440 3.917 50 0 DHAARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1cc(C(C)C)no1 ZINC000055041991 1025530923 /nfs/dbraw/zinc/53/09/23/1025530923.db2.gz JIGJABMOZKUUGZ-LLVKDONJSA-N 0 0 302.378 3.526 50 0 DHAARN CCC(C)(C)NC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 ZINC000002656659 1025571872 /nfs/dbraw/zinc/57/18/72/1025571872.db2.gz BCJLXQLMYCKSCF-VQHVLOKHSA-N 0 0 313.344 3.615 50 0 DHAARN Clc1ccc([C@H]2CN(Cc3ccccn3)CCO2)cc1Cl ZINC000066851017 1025633446 /nfs/dbraw/zinc/63/34/46/1025633446.db2.gz VSZYANZGJSPHGI-MRXNPFEDSA-N 0 0 323.223 3.962 50 0 DHAARN COC(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000003219907 1025647604 /nfs/dbraw/zinc/64/76/04/1025647604.db2.gz QGOUVXSRLMWIND-RIYZIHGNSA-N 0 0 313.740 3.619 50 0 DHAARN CCc1ccc(C(=O)COC(=O)C=Cc2cccc(F)c2)cc1 ZINC000003274715 1025661014 /nfs/dbraw/zinc/66/10/14/1025661014.db2.gz LJZDMQCLNZHHNI-DHZHZOJOSA-N 0 0 312.340 3.827 50 0 DHAARN CC(C)Sc1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000053791193 1025930717 /nfs/dbraw/zinc/93/07/17/1025930717.db2.gz JVKKLAUNMKFNGL-KRWDZBQOSA-N 0 0 315.438 3.651 50 0 DHAARN CCSCc1cccc(NC(=O)N[C@@H](C)C2CCOCC2)c1 ZINC000089275286 1026028663 /nfs/dbraw/zinc/02/86/63/1026028663.db2.gz KNEJEMMXPDNDFX-ZDUSSCGKSA-N 0 0 322.474 3.876 50 0 DHAARN O=C(/C=C\c1ccc(Cl)nc1)Nc1nc2ccccc2s1 ZINC000221986186 1026114590 /nfs/dbraw/zinc/11/45/90/1026114590.db2.gz VURNVKYQPXCHOY-VURMDHGXSA-N 0 0 315.785 3.997 50 0 DHAARN COc1ccc(C)cc1NC(=O)CN(Cc1ccccc1)C1CC1 ZINC000025118908 1026131168 /nfs/dbraw/zinc/13/11/68/1026131168.db2.gz YGAGRZPRJHRUHS-UHFFFAOYSA-N 0 0 324.424 3.607 50 0 DHAARN COc1ccc(CN(C)Cc2csc(C)n2)c2cccnc12 ZINC000252489264 1026157201 /nfs/dbraw/zinc/15/72/01/1026157201.db2.gz JNFUKLOTCHKHKE-UHFFFAOYSA-N 0 0 313.426 3.640 50 0 DHAARN O=C1C[C@@H](Cc2ccc(-c3cnco3)cc2)CN1c1ccccc1 ZINC000252501548 1026157731 /nfs/dbraw/zinc/15/77/31/1026157731.db2.gz UHFCHQCMNIDHBM-MRXNPFEDSA-N 0 0 318.376 3.937 50 0 DHAARN Cc1coc(/C=C\C(=O)Nc2ccc(F)cc2OCC2CC2)n1 ZINC000222289837 1026169418 /nfs/dbraw/zinc/16/94/18/1026169418.db2.gz BUFUHIFVHZLACG-SREVYHEPSA-N 0 0 316.332 3.563 50 0 DHAARN COc1ccccc1/C=C/C=C1\N=C(c2ccccc2)OC1=O ZINC000015215991 1026347652 /nfs/dbraw/zinc/34/76/52/1026347652.db2.gz KJDSEAMZXSQTAT-LRPPNIKISA-N 0 0 305.333 3.596 50 0 DHAARN Cc1cc(F)ccc1Cc1noc(C2(c3cccnc3)CC2)n1 ZINC000583568378 1026521768 /nfs/dbraw/zinc/52/17/68/1026521768.db2.gz IAFKSMVWZGJQDJ-UHFFFAOYSA-N 0 0 309.344 3.583 50 0 DHAARN Cc1ccc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000007488555 1027807697 /nfs/dbraw/zinc/80/76/97/1027807697.db2.gz FNNUWUGOCDBKAS-MDZDMXLPSA-N 0 0 308.406 3.952 50 0 DHAARN COc1ccc(C=CC(=O)Nc2cccc(C(C)=O)c2)cc1F ZINC000007920323 1027908011 /nfs/dbraw/zinc/90/80/11/1027908011.db2.gz MLBDRRBEAVGKMQ-VQHVLOKHSA-N 0 0 313.328 3.689 50 0 DHAARN CCc1noc(CC)c1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000129127852 1028075587 /nfs/dbraw/zinc/07/55/87/1028075587.db2.gz MPXGEKOJXHBSPG-UHFFFAOYSA-N 0 0 315.348 3.888 50 0 DHAARN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc3cn[nH]c32)cc1 ZINC000129946466 1028226149 /nfs/dbraw/zinc/22/61/49/1028226149.db2.gz BNWOMEKFRKBBAI-CQSZACIVSA-N 0 0 307.397 3.575 50 0 DHAARN O=C(/C=C/c1ccsc1)Nc1ccccc1N1CCCC1=O ZINC000009156289 1028350355 /nfs/dbraw/zinc/35/03/55/1028350355.db2.gz YSABDGJXDGHAIQ-BQYQJAHWSA-N 0 0 312.394 3.527 50 0 DHAARN C/C=C/c1ccc(OCC(=O)Nc2ncc(C)s2)c(OC)c1 ZINC000009762736 1028497608 /nfs/dbraw/zinc/49/76/08/1028497608.db2.gz MSODRCINYILKRJ-SNAWJCMRSA-N 0 0 318.398 3.511 50 0 DHAARN Cc1nnc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000043407376 1029218105 /nfs/dbraw/zinc/21/81/05/1029218105.db2.gz MKYSZDPOIMEHMQ-GFCCVEGCSA-N 0 0 322.821 3.773 50 0 DHAARN CC1(C)C[C@H](NC(=O)c2ccc(Cl)c3cccnc23)CCO1 ZINC000155560800 1029252995 /nfs/dbraw/zinc/25/29/95/1029252995.db2.gz SKNNKAHERBJWMR-LLVKDONJSA-N 0 0 318.804 3.576 50 0 DHAARN Cc1cc2c(cc1C)N(C(=O)c1ccncc1OC(C)C)CC2 ZINC000585082213 1029622630 /nfs/dbraw/zinc/62/26/30/1029622630.db2.gz GBMGAVFGOLUIQK-UHFFFAOYSA-N 0 0 310.397 3.689 50 0 DHAARN C[C@H]1CCO[C@H](C(=O)Nc2ccccc2N(C)C2CCCC2)C1 ZINC000585081298 1029624825 /nfs/dbraw/zinc/62/48/25/1029624825.db2.gz UJLVVWULIDKQRO-KSSFIOAISA-N 0 0 316.445 3.819 50 0 DHAARN Cc1ccc2[nH]c(C(=O)N[C@H](C3CC3)C(F)(F)F)cc2c1C ZINC000585083342 1029632014 /nfs/dbraw/zinc/63/20/14/1029632014.db2.gz SDXIXLHCHVBWAF-CQSZACIVSA-N 0 0 310.319 3.855 50 0 DHAARN CC[C@H]1c2ccccc2CCN1C(=O)c1ncccc1Cl ZINC000585085739 1029699527 /nfs/dbraw/zinc/69/95/27/1029699527.db2.gz JQJBGXCJXMOBEX-HNNXBMFYSA-N 0 0 300.789 3.885 50 0 DHAARN O=c1cc(CSc2ncnc3sc4c(c32)CCC4)cc[nH]1 ZINC000585119131 1029785307 /nfs/dbraw/zinc/78/53/07/1029785307.db2.gz SNKIJUGXJVLWJE-UHFFFAOYSA-N 0 0 315.423 3.573 50 0 DHAARN Cn1c(SCCC(F)(F)Cl)nnc1-c1cccs1 ZINC000585119181 1029785736 /nfs/dbraw/zinc/78/57/36/1029785736.db2.gz VLGUTJMPMUNUDJ-UHFFFAOYSA-N 0 0 309.794 3.857 50 0 DHAARN CO[C@H](C)CNc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000585117409 1029787019 /nfs/dbraw/zinc/78/70/19/1029787019.db2.gz BKIHDHXCVVFJDY-CQSZACIVSA-N 0 0 305.422 3.541 50 0 DHAARN Cc1cccc(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)c1C ZINC000585117392 1029787209 /nfs/dbraw/zinc/78/72/09/1029787209.db2.gz ZZMMIMMOMVDICA-SFHVURJKSA-N 0 0 306.413 3.643 50 0 DHAARN O=C(Nc1cc2oc(=O)[nH]c2cc1F)N[C@@H]1CC12CCCCC2 ZINC000585119890 1029792008 /nfs/dbraw/zinc/79/20/08/1029792008.db2.gz YWRCZTALJIWKEO-CYBMUJFWSA-N 0 0 319.336 3.517 50 0 DHAARN CC(C)[C@@H]1CN(C(=O)c2nccnc2Cl)c2ccccc21 ZINC000585129384 1029815764 /nfs/dbraw/zinc/81/57/64/1029815764.db2.gz HXLPNRYOPLVKOC-LBPRGKRZSA-N 0 0 301.777 3.530 50 0 DHAARN Cc1ccc2c(c1)c1c(n2C(=O)c2ccccc2)CCN(C)C1 ZINC000075566939 1030981189 /nfs/dbraw/zinc/98/11/89/1030981189.db2.gz NCLXCRZMEZOVHJ-UHFFFAOYSA-N 0 0 304.393 3.626 50 0 DHAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)c1csnn1 ZINC000104463575 1033681078 /nfs/dbraw/zinc/68/10/78/1033681078.db2.gz ZSBQNCDOQSXQTN-AWEZNQCLSA-N 0 0 321.833 3.853 50 0 DHAARN CC(=O)N1CCC(CNc2ccnc3cc(Cl)ccc32)CC1 ZINC000104660857 1033699400 /nfs/dbraw/zinc/69/94/00/1033699400.db2.gz STWFGLJTTRRGCM-UHFFFAOYSA-N 0 0 317.820 3.559 50 0 DHAARN Cc1nc(S[C@H](C)C(=O)NC2CC2)n(C2CCCCC2)c1C ZINC000006973370 1035042636 /nfs/dbraw/zinc/04/26/36/1035042636.db2.gz MBMBHLBWEARARX-CYBMUJFWSA-N 0 0 321.490 3.764 50 0 DHAARN Cc1cccc(Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1C ZINC000036674533 1035286464 /nfs/dbraw/zinc/28/64/64/1035286464.db2.gz GSLHARLQTGTLNV-INIZCTEOSA-N 0 0 324.424 3.956 50 0 DHAARN CCn1cc(-c2ccc(C)cc2)cc1C(=O)NCc1ccccn1 ZINC000065307125 1035288376 /nfs/dbraw/zinc/28/83/76/1035288376.db2.gz AEOOLXJGKMHJOA-UHFFFAOYSA-N 0 0 319.408 3.808 50 0 DHAARN CCC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000036694834 1035289576 /nfs/dbraw/zinc/28/95/76/1035289576.db2.gz KMNVHGBKKYGSDP-INIZCTEOSA-N 0 0 311.381 3.980 50 0 DHAARN Cc1cc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)nn1C ZINC000170046010 1035289844 /nfs/dbraw/zinc/28/98/44/1035289844.db2.gz ZRLNWQRPQNFTFM-FQEVSTJZSA-N 0 0 305.425 3.916 50 0 DHAARN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC(C)(C)CC(C)(C)C ZINC000084012349 1035295590 /nfs/dbraw/zinc/29/55/90/1035295590.db2.gz UUVNLCAFAGBBAK-CMDGGOBGSA-N 0 0 311.857 3.726 50 0 DHAARN O=C1NC(=O)/C(=C/c2csc3ccccc23)c2ccccc21 ZINC000084593120 1035334566 /nfs/dbraw/zinc/33/45/66/1035334566.db2.gz JOFQMBDYHBBXPI-OQLLNIDSSA-N 0 0 305.358 3.712 50 0 DHAARN Cc1csc(SCC(=O)N(Cc2ccsc2)C2CC2)n1 ZINC000049517445 1036719712 /nfs/dbraw/zinc/71/97/12/1036719712.db2.gz UKVIVKUYZAVLAL-UHFFFAOYSA-N 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50 0 DHAARN CCC[C@H](Nc1nc(C)nc2c1c(C)nn2C)c1cccs1 ZINC000072433374 191164596 /nfs/dbraw/zinc/16/45/96/191164596.db2.gz VOZABNRTVNQUED-LBPRGKRZSA-N 0 0 315.446 3.995 50 0 DHAARN O=C(NC[C@@H]1CCCO1)c1c(Cl)ccc(Cl)c1Cl ZINC000000118366 180698617 /nfs/dbraw/zinc/69/86/17/180698617.db2.gz IUAUFJUKGHMPBV-ZETCQYMHSA-N 0 0 308.592 3.556 50 0 DHAARN O=C(CC1CCCC1)Nc1ccccc1OC[C@@H]1CCCO1 ZINC000072441737 191167521 /nfs/dbraw/zinc/16/75/21/191167521.db2.gz FRWFZQJGFKNMEE-HNNXBMFYSA-N 0 0 303.402 3.763 50 0 DHAARN O=C(OC[C@H]1CC(c2ccccc2)=NO1)c1ccc(Cl)cc1 ZINC000000158583 180711896 /nfs/dbraw/zinc/71/18/96/180711896.db2.gz ZYWUXXOYNZPGBY-OAHLLOKOSA-N 0 0 315.756 3.690 50 0 DHAARN Cc1cc(C)n2nc(-c3ccccc3)c(Br)c2n1 ZINC000000165744 180712933 /nfs/dbraw/zinc/71/29/33/180712933.db2.gz PYYGMMGGNRCYHG-UHFFFAOYSA-N 0 0 302.175 3.776 50 0 DHAARN c1cc2c(nc(NC3CCCC3)cc2-c2ncnc3[nH]ccc32)[nH]1 ZINC000072478436 191179093 /nfs/dbraw/zinc/17/90/93/191179093.db2.gz WMXGHOOILGITIL-UHFFFAOYSA-N 0 0 318.384 3.856 50 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PPPXRFDFABOSNH-UHFFFAOYSA-N 0 0 324.446 3.927 50 0 DHAARN COc1ccc(-c2nnc3sc(C4CCCCC4)nn32)cc1 ZINC000000525478 180812752 /nfs/dbraw/zinc/81/27/52/180812752.db2.gz YQUUEEXYZCHUOI-UHFFFAOYSA-N 0 0 314.414 3.909 50 0 DHAARN Fc1ccc(CCNc2ncnc3c4ccccc4[nH]c32)cc1 ZINC000000537316 180816512 /nfs/dbraw/zinc/81/65/12/180816512.db2.gz KWXAJRLGHYMCNT-UHFFFAOYSA-N 0 0 306.344 3.905 50 0 DHAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000572347 180824597 /nfs/dbraw/zinc/82/45/97/180824597.db2.gz VARMRXXNNILWPS-HNNXBMFYSA-N 0 0 319.408 3.967 50 0 DHAARN COc1ccc([C@H](C)NC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000000610177 180827992 /nfs/dbraw/zinc/82/79/92/180827992.db2.gz RVFYOPFNPLSGDD-LBPRGKRZSA-N 0 0 312.369 3.781 50 0 DHAARN CC(C)C[C@H]1CCCCCN1C(=O)c1cc(C(C)C)n(C)n1 ZINC000173460189 198217112 /nfs/dbraw/zinc/21/71/12/198217112.db2.gz AHPNIVOYIIZTIF-OAHLLOKOSA-N 0 0 305.466 3.974 50 0 DHAARN COc1ccccc1CNC(=S)Nc1ccc(C)c(C)c1 ZINC000000612460 180828447 /nfs/dbraw/zinc/82/84/47/180828447.db2.gz HPGDJIXFNYMWPA-UHFFFAOYSA-N 0 0 300.427 3.799 50 0 DHAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccco1 ZINC000000570233 180823828 /nfs/dbraw/zinc/82/38/28/180823828.db2.gz ZCCQIKZYJDXCIW-UHFFFAOYSA-N 0 0 305.293 3.735 50 0 DHAARN CC(C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000860020 180836553 /nfs/dbraw/zinc/83/65/53/180836553.db2.gz BRFSDCKNFZPNGD-GJZGRUSLSA-N 0 0 321.804 3.813 50 0 DHAARN CCOC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000614109 180829629 /nfs/dbraw/zinc/82/96/29/180829629.db2.gz KWXJKGCZVVZOQT-UHFFFAOYSA-N 0 0 312.369 3.826 50 0 DHAARN CCc1cccc(CC)c1NC(=O)c1ccc(OC(C)=O)cc1 ZINC000000620846 180831350 /nfs/dbraw/zinc/83/13/50/180831350.db2.gz YFQAQVDLJKYVAC-UHFFFAOYSA-N 0 0 311.381 3.989 50 0 DHAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C=O)c2)cc1 ZINC000001059527 180844012 /nfs/dbraw/zinc/84/40/12/180844012.db2.gz UBZNHVGVFJYNSN-UHFFFAOYSA-N 0 0 317.410 3.597 50 0 DHAARN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)c1ccccc1 ZINC000001061593 180844615 /nfs/dbraw/zinc/84/46/15/180844615.db2.gz MSPNYFWQTYDOPO-MRXNPFEDSA-N 0 0 324.424 3.957 50 0 DHAARN Cc1cc(OCC(=O)C(C)(C)C)c2c(C)c(C)c(=O)oc2c1 ZINC000001165097 180848587 /nfs/dbraw/zinc/84/85/87/180848587.db2.gz WADWDCTUKOOASN-UHFFFAOYSA-N 0 0 302.370 3.712 50 0 DHAARN CCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21 ZINC000001238777 180851231 /nfs/dbraw/zinc/85/12/31/180851231.db2.gz OPWCPOLKIVKSBG-UHFFFAOYSA-N 0 0 320.352 3.758 50 0 DHAARN CCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc21 ZINC000001275081 180852766 /nfs/dbraw/zinc/85/27/66/180852766.db2.gz DCUCICCGUMBAOZ-UHFFFAOYSA-N 0 0 310.401 3.897 50 0 DHAARN C[C@H](C(=O)NC(C)(C)C)n1c2ccccc2nc1C(F)(F)F ZINC000001399295 180861201 /nfs/dbraw/zinc/86/12/01/180861201.db2.gz HSMPVDWSFNSZGA-SECBINFHSA-N 0 0 313.323 3.531 50 0 DHAARN Cc1c(-c2csc(Nc3ccccc3)n2)sc2ncnn12 ZINC000001401916 180861991 /nfs/dbraw/zinc/86/19/91/180861991.db2.gz HGHOATCIRMWENE-UHFFFAOYSA-N 0 0 313.411 3.966 50 0 DHAARN Cn1c2ccccc2nc(Oc2cccc(C(F)(F)F)c2)c1=O ZINC000001382204 180857481 /nfs/dbraw/zinc/85/74/81/180857481.db2.gz OQZXWIAWZYIMJE-UHFFFAOYSA-N 0 0 320.270 3.745 50 0 DHAARN COc1cc2ncnc(Nc3c(F)cccc3F)c2cc1OC ZINC000001386794 180858363 /nfs/dbraw/zinc/85/83/63/180858363.db2.gz OUJXMWZOIJQBBH-UHFFFAOYSA-N 0 0 317.295 3.669 50 0 DHAARN Cc1nc(NC2CCCCC2)ncc1C(=O)NC1CCCCC1 ZINC000001390154 180859043 /nfs/dbraw/zinc/85/90/43/180859043.db2.gz JBZDKHHBOBHCSC-UHFFFAOYSA-N 0 0 316.449 3.592 50 0 DHAARN CC(C)CCN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000001441210 180867367 /nfs/dbraw/zinc/86/73/67/180867367.db2.gz HCMNXGZMFWHCEN-HXUWFJFHSA-N 0 0 309.409 3.576 50 0 DHAARN CCc1ccc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 ZINC000001460955 180867991 /nfs/dbraw/zinc/86/79/91/180867991.db2.gz RVRCYNLKKGFWDK-CQSZACIVSA-N 0 0 311.381 3.740 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)c3cccc(F)c3)c(C)c2)no1 ZINC000001428883 180866008 /nfs/dbraw/zinc/86/60/08/180866008.db2.gz NSWCZLANOGQPRY-UHFFFAOYSA-N 0 0 311.316 3.745 50 0 DHAARN CCCCOc1c(Cl)cc(/C=C2/N=C(C)OC2=O)cc1OC ZINC000002160014 180912672 /nfs/dbraw/zinc/91/26/72/180912672.db2.gz QOFKAFBBKCTMAR-MDWZMJQESA-N 0 0 323.776 3.844 50 0 DHAARN Oc1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)cc1 ZINC000002236505 180916248 /nfs/dbraw/zinc/91/62/48/180916248.db2.gz MXVPANBPZWPQGO-QMMMGPOBSA-N 0 0 317.197 3.728 50 0 DHAARN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000002136347 180911363 /nfs/dbraw/zinc/91/13/63/180911363.db2.gz ZIFCIQORDYNJHC-UHFFFAOYSA-N 0 0 303.214 3.607 50 0 DHAARN CCc1ccccc1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000002429982 180923775 /nfs/dbraw/zinc/92/37/75/180923775.db2.gz VOXUBUHGKJTLMG-QGZVFWFLSA-N 0 0 313.353 3.547 50 0 DHAARN Cc1cccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 ZINC000002380985 180921598 /nfs/dbraw/zinc/92/15/98/180921598.db2.gz LRSLFZGLCSEFQK-UHFFFAOYSA-N 0 0 321.380 3.925 50 0 DHAARN O=C1c2cccc3c4ccccc4n(c32)C(=O)C1(Cl)Cl ZINC000002507026 180928411 /nfs/dbraw/zinc/92/84/11/180928411.db2.gz MNMZNNAWHMGHHJ-UHFFFAOYSA-N 0 0 304.132 3.805 50 0 DHAARN Cc1ccc(SCC(=O)NCCc2ccc(F)cc2)c(C)c1 ZINC000002621649 180940249 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/nfs/dbraw/zinc/97/58/36/180975836.db2.gz RATAMIMJLWWYDU-UHFFFAOYSA-N 0 0 301.411 3.526 50 0 DHAARN CCCCCC(=O)Nc1ccc(I)cc1 ZINC000003160622 180987512 /nfs/dbraw/zinc/98/75/12/180987512.db2.gz IHNZTLYRKLGDMI-UHFFFAOYSA-N 0 0 317.170 3.810 50 0 DHAARN Cc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000003317964 181004225 /nfs/dbraw/zinc/00/42/25/181004225.db2.gz BUYHBFXJANFBJK-UHFFFAOYSA-N 0 0 314.168 3.884 50 0 DHAARN COc1ccc(C(=O)Nc2ccccc2SC)cc1OC ZINC000003325131 181005724 /nfs/dbraw/zinc/00/57/24/181005724.db2.gz WLEOZQDBEKGXPF-UHFFFAOYSA-N 0 0 303.383 3.678 50 0 DHAARN Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccccc1F ZINC000003327920 181006303 /nfs/dbraw/zinc/00/63/03/181006303.db2.gz NZMSPTLXXXMNCW-CQSZACIVSA-N 0 0 300.377 3.593 50 0 DHAARN COc1ccc(CCC(=O)NCc2ccccc2Cl)cc1 ZINC000003282379 181000408 /nfs/dbraw/zinc/00/04/08/181000408.db2.gz WGPNEZWCUKOYMS-UHFFFAOYSA-N 0 0 303.789 3.598 50 0 biogenic DHAARN CCOC(=O)c1sc(NC(=O)/C=C/c2cccs2)cc1C ZINC000003289165 181000962 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181019503 /nfs/dbraw/zinc/01/95/03/181019503.db2.gz VUKILQCZVPIKSH-UHFFFAOYSA-N 0 0 323.323 3.774 50 0 DHAARN Cc1cc(Oc2ccc(-c3ccccc3)cc2)n2ncnc2n1 ZINC000003438569 181019602 /nfs/dbraw/zinc/01/96/02/181019602.db2.gz SFCILXFYNXFIJV-UHFFFAOYSA-N 0 0 302.337 3.892 50 0 DHAARN Cc1ccc(F)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000003435527 181019763 /nfs/dbraw/zinc/01/97/63/181019763.db2.gz CEPGVBCGUYGJHV-UHFFFAOYSA-N 0 0 312.344 3.513 50 0 DHAARN Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C ZINC000003533074 181030302 /nfs/dbraw/zinc/03/03/02/181030302.db2.gz ISRNLUDUGIQPAU-UHFFFAOYSA-N 0 0 300.383 3.758 50 0 DHAARN O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 ZINC000003533788 181031040 /nfs/dbraw/zinc/03/10/40/181031040.db2.gz OMYJSEWDRODFLW-UHFFFAOYSA-N 0 0 312.266 3.895 50 0 DHAARN CCOc1ccccc1NC(=O)c1cccc(OC(F)F)c1 ZINC000003472750 181024360 /nfs/dbraw/zinc/02/43/60/181024360.db2.gz IKCYOAFUZXVRNL-UHFFFAOYSA-N 0 0 307.296 3.939 50 0 DHAARN O=C(COc1ccc(Cl)c2ccccc12)NCC(F)(F)F ZINC000003495677 181026173 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/nfs/dbraw/zinc/03/43/89/181034389.db2.gz QVRHMKMPFMXNPG-UHFFFAOYSA-N 0 0 310.806 3.901 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000003567154 181035795 /nfs/dbraw/zinc/03/57/95/181035795.db2.gz MIBSLWVIVKJWOJ-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1C ZINC000003581173 181037440 /nfs/dbraw/zinc/03/74/40/181037440.db2.gz SDUQTFVVWCVVOO-UHFFFAOYSA-N 0 0 301.411 3.593 50 0 DHAARN COc1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000003614920 181041344 /nfs/dbraw/zinc/04/13/44/181041344.db2.gz JUPRGMVLUSGMGJ-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN O=C(OCc1ccc(Br)cc1)c1cccc(O)c1 ZINC000003619188 181042305 /nfs/dbraw/zinc/04/23/05/181042305.db2.gz RYJNQCCWVCTPEB-UHFFFAOYSA-N 0 0 307.143 3.512 50 0 DHAARN CN(C)c1ccc(-c2[nH]c3ncnn3c2Nc2ccccc2)cc1 ZINC000003909998 181057312 /nfs/dbraw/zinc/05/73/12/181057312.db2.gz UXSJMZWNQJCBTI-UHFFFAOYSA-N 0 0 318.384 3.534 50 0 DHAARN CCCCNC(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000003907722 181056764 /nfs/dbraw/zinc/05/67/64/181056764.db2.gz NCVAMHDSQAZGFQ-UHFFFAOYSA-N 0 0 323.190 3.634 50 0 DHAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccco1 ZINC000004033111 181064897 /nfs/dbraw/zinc/06/48/97/181064897.db2.gz KXRLVCGKSLUNKX-UHFFFAOYSA-N 0 0 318.336 3.550 50 0 DHAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033481 181064917 /nfs/dbraw/zinc/06/49/17/181064917.db2.gz KIYHVCRWRSCTLI-MRXNPFEDSA-N 0 0 319.408 3.572 50 0 DHAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CCCC1 ZINC000004033059 181065072 /nfs/dbraw/zinc/06/50/72/181065072.db2.gz QEJKHSXYTKBYDU-UHFFFAOYSA-N 0 0 320.396 3.833 50 0 DHAARN CCc1nc2c3ccccc3oc2c(NCCCn2ccnc2)n1 ZINC000004039425 181065756 /nfs/dbraw/zinc/06/57/56/181065756.db2.gz INEALGDDFGZRFY-UHFFFAOYSA-N 0 0 321.384 3.637 50 0 DHAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1 ZINC000003958707 181059527 /nfs/dbraw/zinc/05/95/27/181059527.db2.gz MCJNXCOLFBZYNX-HNNXBMFYSA-N 0 0 301.365 3.934 50 0 DHAARN COc1cnc(SCc2ccc(Cl)cc2Cl)[nH]c1=O ZINC000004002987 181061600 /nfs/dbraw/zinc/06/16/00/181061600.db2.gz RFHDRDCZLCKFFT-UHFFFAOYSA-N 0 0 317.197 3.790 50 0 DHAARN CCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C ZINC000004050130 181066853 /nfs/dbraw/zinc/06/68/53/181066853.db2.gz ZKJDEGGXLXMDOZ-UHFFFAOYSA-N 0 0 321.467 3.952 50 0 DHAARN CSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)S[C@H](C)C2 ZINC000004108136 181073909 /nfs/dbraw/zinc/07/39/09/181073909.db2.gz KJXODPDOVUZZIB-LLVKDONJSA-N 0 0 318.467 3.608 50 0 DHAARN CCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21 ZINC000004059782 181067858 /nfs/dbraw/zinc/06/78/58/181067858.db2.gz CWIWWCRUSCJZOB-UHFFFAOYSA-N 0 0 315.398 3.688 50 0 DHAARN CC(C)C(=O)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000004078271 181070493 /nfs/dbraw/zinc/07/04/93/181070493.db2.gz WDADRXCMOKRKIX-UHFFFAOYSA-N 0 0 311.407 3.564 50 0 DHAARN COC(=O)/C(=C1/Oc2c(cc(C)cc2C)S1)C(F)(F)F ZINC000004141933 181078759 /nfs/dbraw/zinc/07/87/59/181078759.db2.gz DHXLTOMAUJNWCT-FMIVXFBMSA-N 0 0 304.289 3.735 50 0 DHAARN CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccccc1 ZINC000004254202 181088518 /nfs/dbraw/zinc/08/85/18/181088518.db2.gz MPPFHSXOHDLPTA-UHFFFAOYSA-N 0 0 321.428 3.880 50 0 DHAARN CC1(C)[C@@]2(C(=O)NCc3ccccc3Cl)CC[C@]1(C)C(=O)C2 ZINC000004185876 181082960 /nfs/dbraw/zinc/08/29/60/181082960.db2.gz AUHVLWTWBCLNGO-MSOLQXFVSA-N 0 0 319.832 3.742 50 0 DHAARN O=C(NCCSCc1ccco1)Nc1ccc(Cl)cc1 ZINC000004197941 181084769 /nfs/dbraw/zinc/08/47/69/181084769.db2.gz DMYBFHBFDACRRD-UHFFFAOYSA-N 0 0 310.806 3.988 50 0 DHAARN Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1 ZINC000004225260 181086271 /nfs/dbraw/zinc/08/62/71/181086271.db2.gz OJGQXNFCYNDNNC-OAHLLOKOSA-N 0 0 319.408 3.711 50 0 DHAARN CCOC(=O)c1sc(NC2CCCC2)nc1C(F)(F)F ZINC000004294216 181093747 /nfs/dbraw/zinc/09/37/47/181093747.db2.gz JNWUSHMGBDNDDC-UHFFFAOYSA-N 0 0 308.325 3.693 50 0 DHAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000004264625 181089465 /nfs/dbraw/zinc/08/94/65/181089465.db2.gz AZBDLNKGPKMKDN-UHFFFAOYSA-N 0 0 311.341 3.879 50 0 DHAARN CCCCOCCCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000004265032 181089561 /nfs/dbraw/zinc/08/95/61/181089561.db2.gz ZDOVPZMGTAQDRO-UHFFFAOYSA-N 0 0 316.401 3.587 50 0 DHAARN CCN(CC)c1nc2c(cnn2C)c(Nc2ccc(C)cc2C)n1 ZINC000004272736 181090590 /nfs/dbraw/zinc/09/05/90/181090590.db2.gz WJNSSEWGHPQKFO-UHFFFAOYSA-N 0 0 324.432 3.570 50 0 DHAARN COc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 ZINC000004271849 181090745 /nfs/dbraw/zinc/09/07/45/181090745.db2.gz SGHCYLJWENEXQH-UHFFFAOYSA-N 0 0 309.394 3.840 50 0 DHAARN COC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1 ZINC000004275694 181091009 /nfs/dbraw/zinc/09/10/09/181091009.db2.gz KHWXWKRNQJVKFC-UHFFFAOYSA-N 0 0 301.776 3.502 50 0 DHAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC000004292067 181093420 /nfs/dbraw/zinc/09/34/20/181093420.db2.gz JNQNVWRPMLUPAF-KRWDZBQOSA-N 0 0 300.308 3.662 50 0 DHAARN Cc1c2cc(OC(=O)N(C)C)ccc2oc(=O)c1-c1ccccc1 ZINC000004340761 181099827 /nfs/dbraw/zinc/09/98/27/181099827.db2.gz PAQPADGJSGZXLX-UHFFFAOYSA-N 0 0 323.348 3.829 50 0 biogenic DHAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)nnn1-c1cccc(C)c1 ZINC000004313387 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O=C(Cc1scnc1-c1cccs1)NCc1ccccc1 ZINC000015840239 182021065 /nfs/dbraw/zinc/02/10/65/182021065.db2.gz UMAUILLPBMFYBM-UHFFFAOYSA-N 0 0 314.435 3.731 50 0 DHAARN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000015839632 182021179 /nfs/dbraw/zinc/02/11/79/182021179.db2.gz TVIBZJOFHZACRE-SFHVURJKSA-N 0 0 306.340 3.740 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1cccs1 ZINC000015837712 182021260 /nfs/dbraw/zinc/02/12/60/182021260.db2.gz OZVXWCHCOMEZMZ-LBPRGKRZSA-N 0 0 316.382 3.846 50 0 DHAARN COc1ccc2cc3c(nc2c1)N(C(=O)c1ccccc1C)CC3 ZINC000015842113 182021512 /nfs/dbraw/zinc/02/15/12/182021512.db2.gz PSHJPIHNKXWPGJ-UHFFFAOYSA-N 0 0 318.376 3.755 50 0 DHAARN COc1ccc2cc3c(nc2c1)N(C(=O)c1ccccc1F)CC3 ZINC000015842119 182021707 /nfs/dbraw/zinc/02/17/07/182021707.db2.gz FFPKRJIPCSLSON-UHFFFAOYSA-N 0 0 322.339 3.585 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2nsnc2c1 ZINC000015841320 182021729 /nfs/dbraw/zinc/02/17/29/182021729.db2.gz ARMXQQQDDQCWPF-UHFFFAOYSA-N 0 0 303.774 3.526 50 0 DHAARN O=C(Nc1ccccc1)C1=CCN(Cc2ccccc2F)CC1 ZINC000015861030 182022363 /nfs/dbraw/zinc/02/23/63/182022363.db2.gz BSYPWUHZPGNGNM-UHFFFAOYSA-N 0 0 310.372 3.597 50 0 DHAARN Cc1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccs2)no1 ZINC000015866869 182022932 /nfs/dbraw/zinc/02/29/32/182022932.db2.gz FETYNDDTAROKOG-AWEZNQCLSA-N 0 0 314.414 3.772 50 0 DHAARN c1cc(C2CCOCC2)cc(-c2cc(C3CCOCC3)ccn2)n1 ZINC000015781983 182016627 /nfs/dbraw/zinc/01/66/27/182016627.db2.gz MKZHFQXHTCUNFZ-UHFFFAOYSA-N 0 0 324.424 3.932 50 0 DHAARN Cc1cccc(N(C)c2cc(C)nc3nc(-c4ccco4)nn32)c1 ZINC000015780371 182016654 /nfs/dbraw/zinc/01/66/54/182016654.db2.gz KVSHTSFCQRYYHH-UHFFFAOYSA-N 0 0 319.368 3.769 50 0 DHAARN COc1cccc(CC(=O)Nc2nc3ccc(Cl)cc3o2)c1 ZINC000015783137 182017490 /nfs/dbraw/zinc/01/74/90/182017490.db2.gz OQPDOCXAVMLQGZ-UHFFFAOYSA-N 0 0 316.744 3.671 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)c1cc(OC)c(OC)cc1OC ZINC000016023783 182029830 /nfs/dbraw/zinc/02/98/30/182029830.db2.gz AJXLUNIDHVSZEI-CYBMUJFWSA-N 0 0 323.433 3.659 50 0 DHAARN O=C(Cc1cccc(F)c1)Nc1ccccc1Br ZINC000016027398 182029864 /nfs/dbraw/zinc/02/98/64/182029864.db2.gz JNRPUBOXHWVKGD-UHFFFAOYSA-N 0 0 308.150 3.769 50 0 DHAARN CN(CCOc1ccccc1F)C(=O)c1cc2ccccc2o1 ZINC000016112663 182034858 /nfs/dbraw/zinc/03/48/58/182034858.db2.gz FFSKGHVJKCBPPR-UHFFFAOYSA-N 0 0 313.328 3.723 50 0 DHAARN CC(C)n1ncc2cc(NC(=O)c3cc4ccccc4[nH]3)cnc21 ZINC000016106695 182035100 /nfs/dbraw/zinc/03/51/00/182035100.db2.gz JUVHRFGWRXVKBR-UHFFFAOYSA-N 0 0 319.368 3.746 50 0 DHAARN Cc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 ZINC000016293106 182039379 /nfs/dbraw/zinc/03/93/79/182039379.db2.gz MXUXSWJHLYZKGJ-UHFFFAOYSA-N 0 0 306.163 3.797 50 0 DHAARN COC(=O)c1ccc(COC(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000016295784 182039403 /nfs/dbraw/zinc/03/94/03/182039403.db2.gz QPFWHWHBMXZYBZ-UHFFFAOYSA-N 0 0 323.348 3.620 50 0 DHAARN O=C(/C=C/c1ccco1)NCCCc1nc2ccccc2s1 ZINC000016471508 182045851 /nfs/dbraw/zinc/04/58/51/182045851.db2.gz BVBDZDLIYMMWIT-MDZDMXLPSA-N 0 0 312.394 3.652 50 0 DHAARN O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccccc1F ZINC000016578712 182050075 /nfs/dbraw/zinc/05/00/75/182050075.db2.gz KWHXFRBXSGYOEE-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN Cc1ccnc(NC(=O)COc2cccc(Cl)c2Cl)c1 ZINC000016602878 182051671 /nfs/dbraw/zinc/05/16/71/182051671.db2.gz JQOVVMWKKAUWBV-UHFFFAOYSA-N 0 0 311.168 3.714 50 0 DHAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000016606093 182053445 /nfs/dbraw/zinc/05/34/45/182053445.db2.gz SXMNMNMRKATGCN-ZDUSSCGKSA-N 0 0 320.364 3.907 50 0 DHAARN CC(C)c1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccccc1 ZINC000016651080 182056015 /nfs/dbraw/zinc/05/60/15/182056015.db2.gz FLSDODGATCVIJF-UHFFFAOYSA-N 0 0 324.359 3.782 50 0 DHAARN Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000016685060 182057506 /nfs/dbraw/zinc/05/75/06/182057506.db2.gz LTICJNMBNYTNKW-CABCVRRESA-N 0 0 321.424 3.952 50 0 DHAARN Cn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 ZINC000017052459 182070432 /nfs/dbraw/zinc/07/04/32/182070432.db2.gz MFAWAECOFWESPQ-UHFFFAOYSA-N 0 0 313.401 3.837 50 0 DHAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2C2CC2)cc1 ZINC000016903140 182063858 /nfs/dbraw/zinc/06/38/58/182063858.db2.gz LEROOUNIGCWUSK-MRXNPFEDSA-N 0 0 322.408 3.662 50 0 DHAARN CC(=O)Nc1nnc(SCc2c(C)cc(C)cc2C)s1 ZINC000016972594 182067092 /nfs/dbraw/zinc/06/70/92/182067092.db2.gz VQXFYIUCZKVMJA-UHFFFAOYSA-N 0 0 307.444 3.714 50 0 DHAARN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C1CCCC1 ZINC000016969472 182067132 /nfs/dbraw/zinc/06/71/32/182067132.db2.gz BFZWGCSJXGGRKO-UHFFFAOYSA-N 0 0 321.848 3.695 50 0 DHAARN Cc1ccccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1 ZINC000016995108 182067679 /nfs/dbraw/zinc/06/76/79/182067679.db2.gz OHVAMBFSTMFHRH-UHFFFAOYSA-N 0 0 317.352 3.919 50 0 DHAARN CCC1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000017031656 182069440 /nfs/dbraw/zinc/06/94/40/182069440.db2.gz APJCVEWDKNHYFX-UHFFFAOYSA-N 0 0 307.868 3.649 50 0 DHAARN COc1ccc(CCNC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000017154589 182078093 /nfs/dbraw/zinc/07/80/93/182078093.db2.gz GBZYZDQTQHJQOH-UHFFFAOYSA-N 0 0 319.404 3.750 50 0 DHAARN CC(C)[C@@H](C(=O)NCc1cccnc1)c1ccc(Cl)cc1 ZINC000017168845 182078435 /nfs/dbraw/zinc/07/84/35/182078435.db2.gz DZQVQFIYTRIDBP-MRXNPFEDSA-N 0 0 302.805 3.791 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(N)cc2)cc1 ZINC000017052754 182071433 /nfs/dbraw/zinc/07/14/33/182071433.db2.gz FQGGCNOLUHUXBQ-GFCCVEGCSA-N 0 0 314.410 3.591 50 0 DHAARN Cc1cc(NC(=O)c2ccc(F)cc2)nn1Cc1cccc(C)c1 ZINC000017056450 182073362 /nfs/dbraw/zinc/07/33/62/182073362.db2.gz DVTFGEKNBCXYMD-UHFFFAOYSA-N 0 0 323.371 3.940 50 0 DHAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 ZINC000017112887 182075726 /nfs/dbraw/zinc/07/57/26/182075726.db2.gz MXMAXUHPFBFBNO-UHFFFAOYSA-N 0 0 308.381 3.731 50 0 DHAARN NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(F)c1 ZINC000017130836 182076445 /nfs/dbraw/zinc/07/64/45/182076445.db2.gz ITVFPLISLGXXHE-SILNSSARSA-N 0 0 316.719 3.557 50 0 DHAARN Fc1ccccc1CCCNc1nccc(-c2ccccn2)n1 ZINC000097463679 193722232 /nfs/dbraw/zinc/72/22/32/193722232.db2.gz OJKMWGLYGCRGQT-UHFFFAOYSA-N 0 0 308.360 3.722 50 0 DHAARN O=C(NCc1ccco1)N(Cc1ccco1)Cc1cccs1 ZINC000017698067 182085210 /nfs/dbraw/zinc/08/52/10/182085210.db2.gz JFWAKHXMLHEAMQ-UHFFFAOYSA-N 0 0 316.382 3.846 50 0 DHAARN O=C(Nc1ccc(NC(=O)[C@H]2CC23CCC3)cc1)[C@@H]1CC12CCC2 ZINC000017822198 182086370 /nfs/dbraw/zinc/08/63/70/182086370.db2.gz XWDOSSCQMOSAOD-IYBDPMFKSA-N 0 0 324.424 3.944 50 0 DHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)s1 ZINC000017303911 182082145 /nfs/dbraw/zinc/08/21/45/182082145.db2.gz UQMLPBMBAJXLCP-UHFFFAOYSA-N 0 0 322.187 3.639 50 0 DHAARN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000018023538 182089849 /nfs/dbraw/zinc/08/98/49/182089849.db2.gz XCDCMVVTDMYURR-UHFFFAOYSA-N 0 0 324.405 3.515 50 0 DHAARN COc1cc(CNC(=O)C(C)C)ccc1OCc1ccccc1 ZINC000018160928 182095310 /nfs/dbraw/zinc/09/53/10/182095310.db2.gz AYHXSERRUQVUTO-UHFFFAOYSA-N 0 0 313.397 3.546 50 0 DHAARN O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000018173865 182095755 /nfs/dbraw/zinc/09/57/55/182095755.db2.gz LCULWKALSSACLW-GOSISDBHSA-N 0 0 303.365 3.993 50 0 DHAARN O=C(NCCCOCc1ccco1)Nc1cccc(Cl)c1 ZINC000018179335 182097092 /nfs/dbraw/zinc/09/70/92/182097092.db2.gz NCGKYGAYXSYRLM-UHFFFAOYSA-N 0 0 308.765 3.661 50 0 DHAARN CN(C)C(=O)SN(C(=O)c1ccccc1)c1ccccc1 ZINC000018194540 182097965 /nfs/dbraw/zinc/09/79/65/182097965.db2.gz ZGXXDACFPQIPFH-UHFFFAOYSA-N 0 0 300.383 3.663 50 0 DHAARN Clc1ccc2c(c1)c1ccccc1n2CN1CCOCC1 ZINC000019313180 182114041 /nfs/dbraw/zinc/11/40/41/182114041.db2.gz HQIBBCCIYYTFRJ-UHFFFAOYSA-N 0 0 300.789 3.738 50 0 DHAARN Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000019736310 182140241 /nfs/dbraw/zinc/14/02/41/182140241.db2.gz VCDAWJJTYYMRON-NSHDSACASA-N 0 0 304.777 3.637 50 0 DHAARN Cc1cc(OCC(=O)Nc2cccc(N)c2C)cc(C)c1Cl ZINC000019736243 182140167 /nfs/dbraw/zinc/14/01/67/182140167.db2.gz LWMVRWYORIIMKB-UHFFFAOYSA-N 0 0 318.804 3.865 50 0 DHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736502 182140522 /nfs/dbraw/zinc/14/05/22/182140522.db2.gz XTNRXSKZDJFLRR-HNNXBMFYSA-N 0 0 304.777 3.718 50 0 DHAARN Cc1cc(N)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000019736406 182140748 /nfs/dbraw/zinc/14/07/48/182140748.db2.gz NGMRGXOCOPTIFB-UHFFFAOYSA-N 0 0 312.413 3.892 50 0 DHAARN Fc1cccc(CN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000019781847 182148531 /nfs/dbraw/zinc/14/85/31/182148531.db2.gz DGLNEKKQTPYEJE-UHFFFAOYSA-N 0 0 318.823 3.797 50 0 DHAARN Cc1ccccc1-c1nn2c(CCc3ccccc3)nnc2s1 ZINC000019796867 182150622 /nfs/dbraw/zinc/15/06/22/182150622.db2.gz GTSZYOOBEGFXNU-UHFFFAOYSA-N 0 0 320.421 3.946 50 0 DHAARN Nc1nc(-c2ccccc2)c(NC(=O)Cc2ccccc2)s1 ZINC000019861517 182157966 /nfs/dbraw/zinc/15/79/66/182157966.db2.gz BCHCGQWDCNHJNQ-UHFFFAOYSA-N 0 0 309.394 3.574 50 0 DHAARN CCOc1ccc2nc(NC(=O)C[C@H]3C=CCC3)sc2c1 ZINC000020011266 182178092 /nfs/dbraw/zinc/17/80/92/182178092.db2.gz ATRKCMFPZPLXTO-NSHDSACASA-N 0 0 302.399 3.990 50 0 DHAARN CCc1ccc(-c2nc(NC(=O)[C@@H]3CCCO3)sc2C)cc1 ZINC000020212583 182197747 /nfs/dbraw/zinc/19/77/47/182197747.db2.gz NEPUOCJSPRZZCZ-AWEZNQCLSA-N 0 0 316.426 3.798 50 0 DHAARN CN(Cc1cccc(F)c1)C(=O)c1ccc(Br)cc1 ZINC000020293362 182203490 /nfs/dbraw/zinc/20/34/90/182203490.db2.gz LYJGYXUMKYKIHB-UHFFFAOYSA-N 0 0 322.177 3.860 50 0 DHAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c1 ZINC000020399135 182214168 /nfs/dbraw/zinc/21/41/68/182214168.db2.gz NFAUXMFOELFVHJ-SFHVURJKSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000020398837 182214224 /nfs/dbraw/zinc/21/42/24/182214224.db2.gz KUPQCOBCNMQSTM-SFHVURJKSA-N 0 0 322.408 3.547 50 0 DHAARN O=C(Cc1cccs1)NCc1csc(-c2ccccc2)n1 ZINC000020501512 182224955 /nfs/dbraw/zinc/22/49/55/182224955.db2.gz PXHHAZPYFFSDKZ-UHFFFAOYSA-N 0 0 314.435 3.731 50 0 DHAARN Cc1ccc(N(C)C(=O)NCc2noc3ccccc23)cc1C ZINC000020516639 182226395 /nfs/dbraw/zinc/22/63/95/182226395.db2.gz AMBVTNJLOVLFNP-UHFFFAOYSA-N 0 0 309.369 3.791 50 0 DHAARN CCN(C(=O)NCc1noc2ccccc12)c1cccc(C)c1 ZINC000020516647 182226635 /nfs/dbraw/zinc/22/66/35/182226635.db2.gz JQKCRZVITHYBEK-UHFFFAOYSA-N 0 0 309.369 3.872 50 0 DHAARN COc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1OC ZINC000020536100 182227928 /nfs/dbraw/zinc/22/79/28/182227928.db2.gz YLKBQOXYADSKCY-JTQLQIEISA-N 0 0 306.387 3.648 50 0 DHAARN Cc1ccc(NC(=O)CN2c3ccccc3CCCC2=O)c(C)c1 ZINC000020532598 182228163 /nfs/dbraw/zinc/22/81/63/182228163.db2.gz BWIISESARWDHOT-UHFFFAOYSA-N 0 0 322.408 3.611 50 0 DHAARN c1cn(Cc2ccc(-c3cccc(-c4cc[nH]n4)c3)cc2)cn1 ZINC000020668389 182241759 /nfs/dbraw/zinc/24/17/59/182241759.db2.gz ZLWMAWXZAZYUFI-UHFFFAOYSA-N 0 0 300.365 3.989 50 0 DHAARN Cc1ccsc1-c1nnc2sc(-c3cccs3)nn21 ZINC000020722726 182243571 /nfs/dbraw/zinc/24/35/71/182243571.db2.gz ONRZVPWPDOXSHS-UHFFFAOYSA-N 0 0 304.425 3.951 50 0 DHAARN O=C1CS[C@H](c2ccccc2Br)c2c[nH]nc2N1 ZINC000020728092 182244519 /nfs/dbraw/zinc/24/45/19/182244519.db2.gz WJHSXKCODQJRGS-LLVKDONJSA-N 0 0 324.203 3.596 50 0 DHAARN Cc1ccc2nc(C)c(C(=O)N(C)CCc3ccccn3)cc2c1 ZINC000020599196 182236310 /nfs/dbraw/zinc/23/63/10/182236310.db2.gz UZYXQSPIILAWPK-UHFFFAOYSA-N 0 0 319.408 3.561 50 0 DHAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1ccccc1 ZINC000020603503 182237217 /nfs/dbraw/zinc/23/72/17/182237217.db2.gz OOBBHTGPLQGGDD-UHFFFAOYSA-N 0 0 322.364 3.867 50 0 DHAARN Cc1cc(C)n(C[C@H](C)NC(=O)Nc2cccc3ccccc32)n1 ZINC000020606787 182237610 /nfs/dbraw/zinc/23/76/10/182237610.db2.gz UUUOTFOWEVUEIG-AWEZNQCLSA-N 0 0 322.412 3.863 50 0 DHAARN Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1F ZINC000020904319 182252760 /nfs/dbraw/zinc/25/27/60/182252760.db2.gz QWNXEZNCIPCBSC-UHFFFAOYSA-N 0 0 309.287 3.917 50 0 DHAARN CC(C)COc1cccc([C@H]2SCC(=O)Nc3n[nH]cc32)c1 ZINC000020736049 182244939 /nfs/dbraw/zinc/24/49/39/182244939.db2.gz LMQRIIVYQFIIOD-OAHLLOKOSA-N 0 0 317.414 3.869 50 0 DHAARN COc1ccc(CCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000020733244 182244966 /nfs/dbraw/zinc/24/49/66/182244966.db2.gz MTHMFIHRWXXJSJ-UHFFFAOYSA-N 0 0 305.381 3.807 50 0 DHAARN O=C1CS[C@H](c2ccc(C(F)(F)F)cc2)c2c[nH]nc2N1 ZINC000020739459 182245705 /nfs/dbraw/zinc/24/57/05/182245705.db2.gz IPGPXGSAKGVSDG-LLVKDONJSA-N 0 0 313.304 3.853 50 0 DHAARN COc1ccc2c(ccn2CC(=O)NC2CCCCCCC2)c1 ZINC000020745523 182245826 /nfs/dbraw/zinc/24/58/26/182245826.db2.gz PURZRJAVVLZQSX-UHFFFAOYSA-N 0 0 314.429 3.879 50 0 DHAARN CC(C)CCC[C@H](C)NC(=O)Cc1cnc(-n2cccc2)s1 ZINC000020763007 182246538 /nfs/dbraw/zinc/24/65/38/182246538.db2.gz HVTQXCBFXOOHMQ-AWEZNQCLSA-N 0 0 319.474 3.807 50 0 biogenic DHAARN c1ccc2c(c1)c(Cc1cccnc1)nnc2N1CCCCCC1 ZINC000020859880 182250137 /nfs/dbraw/zinc/25/01/37/182250137.db2.gz MDTRAVIEYVISRZ-UHFFFAOYSA-N 0 0 318.424 3.996 50 0 DHAARN Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000021042392 182263141 /nfs/dbraw/zinc/26/31/41/182263141.db2.gz GMTNJQSLYHBKDP-UHFFFAOYSA-N 0 0 323.396 3.714 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccn2)[nH]n1 ZINC000021090456 182264530 /nfs/dbraw/zinc/26/45/30/182264530.db2.gz BHKBWUHHIYWPLH-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN C[C@@H]1CN(CC(=O)NC2CCCCCC2)c2ccccc2S1 ZINC000021093698 182265016 /nfs/dbraw/zinc/26/50/16/182265016.db2.gz SNDRMPSPSLHNOT-CQSZACIVSA-N 0 0 318.486 3.826 50 0 DHAARN C[C@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H](C)O1 ZINC000020938351 182255981 /nfs/dbraw/zinc/25/59/81/182255981.db2.gz DODVCGJPKJZHMA-RYUDHWBXSA-N 0 0 306.793 3.604 50 0 DHAARN Cc1cc(C)c(NC(=O)N[C@@H]2COc3ccccc3C2)c(C)c1 ZINC000021101606 182265065 /nfs/dbraw/zinc/26/50/65/182265065.db2.gz YLYRJTMSNQEXON-INIZCTEOSA-N 0 0 310.397 3.737 50 0 DHAARN Cc1cccc(-n2nnnc2SCc2ccc(Cl)s2)c1 ZINC000021373752 182273673 /nfs/dbraw/zinc/27/36/73/182273673.db2.gz LXTSYWVFOZNEBU-UHFFFAOYSA-N 0 0 322.846 3.978 50 0 DHAARN Cc1csc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000021482297 182274407 /nfs/dbraw/zinc/27/44/07/182274407.db2.gz RZICYIUHKHDHFG-UHFFFAOYSA-N 0 0 315.225 3.617 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)N[C@@H]1COc2ccccc2C1 ZINC000021101776 182265587 /nfs/dbraw/zinc/26/55/87/182265587.db2.gz HGRGLNJEWBNLTI-INIZCTEOSA-N 0 0 322.408 3.691 50 0 DHAARN Cc1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105355 182265682 /nfs/dbraw/zinc/26/56/82/182265682.db2.gz ICEJXVJLPNIOGN-GOSISDBHSA-N 0 0 319.364 3.750 50 0 DHAARN O=C(NCCCSCc1ccco1)Nc1ccccc1F ZINC000021148884 182266574 /nfs/dbraw/zinc/26/65/74/182266574.db2.gz TXZGZUGYSISIAD-UHFFFAOYSA-N 0 0 308.378 3.864 50 0 DHAARN O=C(Nc1nncs1)c1ccc(C2SCCCS2)cc1 ZINC000021214621 182269715 /nfs/dbraw/zinc/26/97/15/182269715.db2.gz GXVILUHBXARTCY-UHFFFAOYSA-N 0 0 323.468 3.659 50 0 DHAARN Cc1nc(NC(=O)c2ccc(OC(F)(F)F)cc2)sc1C ZINC000021359784 182272896 /nfs/dbraw/zinc/27/28/96/182272896.db2.gz FGFPSJPGDWPIME-UHFFFAOYSA-N 0 0 316.304 3.911 50 0 DHAARN O=C(CCc1ccccc1Cl)Nc1nnc(C2CC2)s1 ZINC000021359947 182272978 /nfs/dbraw/zinc/27/29/78/182272978.db2.gz DZGJRVIUVJLXNR-UHFFFAOYSA-N 0 0 307.806 3.640 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)on1 ZINC000021718627 182285229 /nfs/dbraw/zinc/28/52/29/182285229.db2.gz VGXXAKFFGWHJLS-ZDUSSCGKSA-N 0 0 324.302 3.979 50 0 DHAARN Brc1ccc(-c2cnnc(-c3ccccc3)n2)cc1 ZINC000021523166 182278291 /nfs/dbraw/zinc/27/82/91/182278291.db2.gz PCQOXNLCIJSOQB-UHFFFAOYSA-N 0 0 312.170 3.968 50 0 DHAARN O=C1CC2(CCCCC2)C(=O)N1Cc1coc(-c2ccccc2)n1 ZINC000021586094 182280448 /nfs/dbraw/zinc/28/04/48/182280448.db2.gz AHIIXZLNGWNUNC-UHFFFAOYSA-N 0 0 324.380 3.551 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(N[C@@H](C)c2ccccc2)n1 ZINC000021645222 182281936 /nfs/dbraw/zinc/28/19/36/182281936.db2.gz PNIWDPVVUWIDHD-ZDUSSCGKSA-N 0 0 321.380 3.980 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)c1ncoc1-c1ccco1 ZINC000021642058 182282147 /nfs/dbraw/zinc/28/21/47/182282147.db2.gz AUDRMZLXLABLTH-UHFFFAOYSA-N 0 0 302.717 3.518 50 0 DHAARN CCCc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)no1 ZINC000021791501 182288924 /nfs/dbraw/zinc/28/89/24/182288924.db2.gz VSLSBXMQBCOTOV-INIZCTEOSA-N 0 0 302.349 3.744 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2F)no1 ZINC000021791295 182288977 /nfs/dbraw/zinc/28/89/77/182288977.db2.gz BTJDXLHIVULIIG-OAHLLOKOSA-N 0 0 302.349 3.914 50 0 DHAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1cccnc1 ZINC000021790157 182289318 /nfs/dbraw/zinc/28/93/18/182289318.db2.gz HBSNPLKWYBQDBV-UHFFFAOYSA-N 0 0 319.389 3.568 50 0 DHAARN CC(C)c1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 ZINC000021785931 182289382 /nfs/dbraw/zinc/28/93/82/182289382.db2.gz TVOMSRIAWORWLC-UHFFFAOYSA-N 0 0 314.370 3.569 50 0 DHAARN Cc1cccc(C)c1OCCN1c2ccccc2NC[C@@H](C)C1=O ZINC000021793521 182289617 /nfs/dbraw/zinc/28/96/17/182289617.db2.gz QPQCTYQVNNJHNN-MRXNPFEDSA-N 0 0 324.424 3.777 50 0 DHAARN C[C@H]1CNc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000021793405 182289630 /nfs/dbraw/zinc/28/96/30/182289630.db2.gz WRUYWUZCEXHLHL-LBPRGKRZSA-N 0 0 300.789 3.935 50 0 DHAARN CCn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000021791716 182289734 /nfs/dbraw/zinc/28/97/34/182289734.db2.gz WWHNGHJVGBQTKB-AWEZNQCLSA-N 0 0 318.808 3.925 50 0 DHAARN O=C(Nc1ccc(Cl)cc1F)c1ccc(-n2cccn2)cc1 ZINC000021796514 182289926 /nfs/dbraw/zinc/28/99/26/182289926.db2.gz MZPCTPOFCLGKFQ-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC000021806781 182290983 /nfs/dbraw/zinc/29/09/83/182290983.db2.gz SNOQLXDXTMKCHM-UHFFFAOYSA-N 0 0 317.698 3.653 50 0 DHAARN Cc1ccc(-c2nsc(NC(=O)c3ccccc3F)n2)s1 ZINC000021806051 182291054 /nfs/dbraw/zinc/29/10/54/182291054.db2.gz ZNGXLKNHDYTSPY-UHFFFAOYSA-N 0 0 319.386 3.966 50 0 DHAARN CC[C@@H](C(=O)n1nc(-c2cccc(C)c2)nc1N)c1ccccc1 ZINC000021804811 182291564 /nfs/dbraw/zinc/29/15/64/182291564.db2.gz OHJDFYJZTWBKSR-MRXNPFEDSA-N 0 0 320.396 3.670 50 0 DHAARN CC(C)[C@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000021872489 182295687 /nfs/dbraw/zinc/29/56/87/182295687.db2.gz YSDGWBULSCOYNG-AWEZNQCLSA-N 0 0 301.430 3.689 50 0 DHAARN COCCCNC(=O)c1ccccc1SCc1cccs1 ZINC000021896289 182297739 /nfs/dbraw/zinc/29/77/39/182297739.db2.gz HNRTUDDRWSCSEQ-UHFFFAOYSA-N 0 0 321.467 3.807 50 0 DHAARN COc1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1OC ZINC000022006503 182303859 /nfs/dbraw/zinc/30/38/59/182303859.db2.gz TYNWQENQKZPLPV-CJNGLKHVSA-N 0 0 303.402 3.881 50 0 DHAARN CCCCc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 ZINC000022095792 182308497 /nfs/dbraw/zinc/30/84/97/182308497.db2.gz KHCIAVQVMNQCCZ-UHFFFAOYSA-N 0 0 313.445 3.951 50 0 DHAARN CC[C@H](Nc1cc(C)nc2ncnn21)c1ccc(Cl)cc1 ZINC000022136455 182310396 /nfs/dbraw/zinc/31/03/96/182310396.db2.gz HXLBMYSCEKGYAX-ZDUSSCGKSA-N 0 0 301.781 3.649 50 0 DHAARN CCC[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000022319092 182317756 /nfs/dbraw/zinc/31/77/56/182317756.db2.gz YIRCBXKHEFBDAY-JTQLQIEISA-N 0 0 309.431 3.788 50 0 DHAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@@H](NC(=O)CC1CC1)C3 ZINC000022331021 182318921 /nfs/dbraw/zinc/31/89/21/182318921.db2.gz YKKBGNHFYVKBBA-CYBMUJFWSA-N 0 0 316.832 3.903 50 0 DHAARN CCCOc1ccccc1NC(=O)Cc1ccc(C)c(OC)c1 ZINC000022356364 182319471 /nfs/dbraw/zinc/31/94/71/182319471.db2.gz HGQGJZZRAYJGHB-UHFFFAOYSA-N 0 0 313.397 3.974 50 0 DHAARN C[C@H]1CN(Cc2c(-c3ccccc3)nc3ccccn32)C[C@H](C)O1 ZINC000022240597 182314868 /nfs/dbraw/zinc/31/48/68/182314868.db2.gz JBHOFYDBNXGZBK-HOTGVXAUSA-N 0 0 321.424 3.611 50 0 DHAARN CN(C)c1ccc(NC(=O)c2ccc3c4c(cccc42)CC3)cn1 ZINC000022421452 182321240 /nfs/dbraw/zinc/32/12/40/182321240.db2.gz ZJLNZEDYKZNMQT-UHFFFAOYSA-N 0 0 317.392 3.652 50 0 DHAARN Cc1noc(-c2ccccc2NC(=O)/C=C/c2ccccc2)n1 ZINC000022461655 182321998 /nfs/dbraw/zinc/32/19/98/182321998.db2.gz UQEGZAHHRBDVHN-VAWYXSNFSA-N 0 0 305.337 3.697 50 0 DHAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)co1 ZINC000022538431 182325529 /nfs/dbraw/zinc/32/55/29/182325529.db2.gz FPVHDSNQFKSQQO-UHFFFAOYSA-N 0 0 304.655 3.908 50 0 DHAARN COC(=O)c1ccc(C(=O)Nc2c(C)cccc2C(C)C)nc1 ZINC000022960158 182343625 /nfs/dbraw/zinc/34/36/25/182343625.db2.gz MZKAHXUXUBUIHR-UHFFFAOYSA-N 0 0 312.369 3.552 50 0 DHAARN Cc1ccc(Sc2ncccc2C(=O)NCC2CC2)cc1C ZINC000022972164 182343888 /nfs/dbraw/zinc/34/38/88/182343888.db2.gz CODRIBJMOCGHFX-UHFFFAOYSA-N 0 0 312.438 3.989 50 0 DHAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000023016455 182344764 /nfs/dbraw/zinc/34/47/64/182344764.db2.gz WBWROZJWISAZMY-TUAOUCFPSA-N 0 0 309.360 3.602 50 0 DHAARN CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000022882762 182339345 /nfs/dbraw/zinc/33/93/45/182339345.db2.gz ILHAGPROTUENFE-NWDGAFQWSA-N 0 0 315.335 3.936 50 0 DHAARN CC(C)(C)CC(=O)N1CCC(c2nnc(C3CC3)s2)CC1 ZINC000023140770 182350848 /nfs/dbraw/zinc/35/08/48/182350848.db2.gz RLLKTWVGXDTBKP-UHFFFAOYSA-N 0 0 307.463 3.558 50 0 DHAARN C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000023143740 182351510 /nfs/dbraw/zinc/35/15/10/182351510.db2.gz QLRPKNHFXBLNQH-RDTXWAMCSA-N 0 0 312.413 3.549 50 0 DHAARN OCCCn1ccc(-c2cccc(-c3ncccc3Cl)c2)n1 ZINC000023159259 182352214 /nfs/dbraw/zinc/35/22/14/182352214.db2.gz GAWQBLIELBFDPE-UHFFFAOYSA-N 0 0 313.788 3.648 50 0 DHAARN COc1cccc(CC(=O)N(C)[C@@H]2CCCc3ccccc32)c1 ZINC000023152200 182352336 /nfs/dbraw/zinc/35/23/36/182352336.db2.gz IRUCQTRMFLGUFX-LJQANCHMSA-N 0 0 309.409 3.774 50 0 DHAARN CC(C)CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000023055023 182346381 /nfs/dbraw/zinc/34/63/81/182346381.db2.gz URZZXMZNBVDSOV-UHFFFAOYSA-N 0 0 302.422 3.521 50 0 DHAARN Cc1cccc(CN2CCO[C@@H](CCCc3ccccc3)C2)n1 ZINC000023337385 182357162 /nfs/dbraw/zinc/35/71/62/182357162.db2.gz IRFKEDWCSZLEKZ-FQEVSTJZSA-N 0 0 310.441 3.614 50 0 DHAARN c1cn(C[C@H]2CCCCO2)nc1-c1cccc(-c2cnccn2)c1 ZINC000023368737 182358487 /nfs/dbraw/zinc/35/84/87/182358487.db2.gz CAFFAVMUKRGZCH-QGZVFWFLSA-N 0 0 320.396 3.576 50 0 DHAARN Cc1cccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000023384449 182359449 /nfs/dbraw/zinc/35/94/49/182359449.db2.gz REOUYFDPCMPQNQ-IBGZPJMESA-N 0 0 309.409 3.581 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 ZINC000023434420 182360447 /nfs/dbraw/zinc/36/04/47/182360447.db2.gz VJIRMMGNLXYFOP-UHFFFAOYSA-N 0 0 312.703 3.897 50 0 DHAARN Cc1cc(-c2c[nH]c([C@H]3CC(=O)N(CC(C)C)C3)n2)c(C)s1 ZINC000023582020 182364108 /nfs/dbraw/zinc/36/41/08/182364108.db2.gz LNFIVUYEYFYXGD-ZDUSSCGKSA-N 0 0 317.458 3.727 50 0 DHAARN CCc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)sc1C ZINC000023750705 182368134 /nfs/dbraw/zinc/36/81/34/182368134.db2.gz FXOHNGAVFDKFJI-UHFFFAOYSA-N 0 0 317.410 3.620 50 0 DHAARN CCCCc1oc2ccccc2c1CN(C)C(=O)c1cnccn1 ZINC000023953401 182370146 /nfs/dbraw/zinc/37/01/46/182370146.db2.gz QZTBOIBGYHFZEM-UHFFFAOYSA-N 0 0 323.396 3.838 50 0 DHAARN Cc1sc2nc(SCC(=O)C(C)(C)C)nc(N)c2c1C ZINC000024834025 182392066 /nfs/dbraw/zinc/39/20/66/182392066.db2.gz QFSOPLZAORLMPS-UHFFFAOYSA-N 0 0 309.460 3.598 50 0 DHAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCc2ccccc21 ZINC000024833800 182392069 /nfs/dbraw/zinc/39/20/69/182392069.db2.gz WHGYAIUGKNBWOM-IBGZPJMESA-N 0 0 318.420 3.947 50 0 DHAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ncccc1C ZINC000024364589 182379662 /nfs/dbraw/zinc/37/96/62/182379662.db2.gz QNFXPMLYFCQUQZ-UHFFFAOYSA-N 0 0 313.382 3.596 50 0 DHAARN CCC[C@H](C)NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000024471227 182381828 /nfs/dbraw/zinc/38/18/28/182381828.db2.gz ANUMXYWVAHPHTH-ZDUSSCGKSA-N 0 0 318.442 3.949 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)c(C)[nH]1 ZINC000024575222 182383935 /nfs/dbraw/zinc/38/39/35/182383935.db2.gz WQZXAEWMKSGMSY-SNVBAGLBSA-N 0 0 321.218 3.885 50 0 DHAARN Cc1cc(NC(=O)[C@H](C)Sc2ccc(F)c(Cl)c2)no1 ZINC000024683899 182387601 /nfs/dbraw/zinc/38/76/01/182387601.db2.gz UDCLTWXGPHVRQR-QMMMGPOBSA-N 0 0 314.769 3.895 50 0 DHAARN Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccc(C)cc2)n1 ZINC000025013730 182398891 /nfs/dbraw/zinc/39/88/91/182398891.db2.gz IISJNURHLBLLBP-UHFFFAOYSA-N 0 0 319.408 3.979 50 0 DHAARN CCOc1ccccc1Cn1cnc2c3ccccc3oc2c1=O ZINC000025007782 182399064 /nfs/dbraw/zinc/39/90/64/182399064.db2.gz KJDSODZEPBOWSL-UHFFFAOYSA-N 0 0 320.348 3.590 50 0 DHAARN Cc1cc(CN(C)C(=O)c2cc3cc(Cl)ccc3o2)no1 ZINC000025136938 182402123 /nfs/dbraw/zinc/40/21/23/182402123.db2.gz MZFJWCHILIEAMP-UHFFFAOYSA-N 0 0 304.733 3.655 50 0 DHAARN C[C@@H]1CCCN(Cc2csc(NC(=O)C3CCCCC3)n2)C1 ZINC000024887873 182393748 /nfs/dbraw/zinc/39/37/48/182393748.db2.gz HSEHWURUCNKEBX-CYBMUJFWSA-N 0 0 321.490 3.894 50 0 DHAARN CC(C)(C(=O)Nc1cccc(-c2cc[nH]n2)c1)c1ccccc1 ZINC000024890374 182393884 /nfs/dbraw/zinc/39/38/84/182393884.db2.gz CAVYSVHIUCOAOS-UHFFFAOYSA-N 0 0 305.381 3.993 50 0 DHAARN CCc1ccccc1NC(=O)Cc1sc(SC)nc1C ZINC000024924792 182395335 /nfs/dbraw/zinc/39/53/35/182395335.db2.gz BIHZNEHSUQDEOE-UHFFFAOYSA-N 0 0 306.456 3.917 50 0 DHAARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc2ncccc21 ZINC000025948562 182426516 /nfs/dbraw/zinc/42/65/16/182426516.db2.gz WQLSTPDUZKVXEI-CQSZACIVSA-N 0 0 317.392 3.625 50 0 DHAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c[nH]nc3c2)cc1C ZINC000025787342 182422239 /nfs/dbraw/zinc/42/22/39/182422239.db2.gz DRWPOUSLHOYPCL-ZDUSSCGKSA-N 0 0 322.364 3.608 50 0 DHAARN CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026295942 182436786 /nfs/dbraw/zinc/43/67/86/182436786.db2.gz NCVPGPFCMOECBL-ZIAGYGMSSA-N 0 0 314.351 3.949 50 0 DHAARN CC(=O)c1c(=O)cc(C)oc1Nc1cccc(C(F)(F)F)c1 ZINC000027525914 182474781 /nfs/dbraw/zinc/47/47/81/182474781.db2.gz KFYNWIBYWDRCGG-UHFFFAOYSA-N 0 0 311.259 3.913 50 0 DHAARN O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)C1CCCC1 ZINC000028220633 182511810 /nfs/dbraw/zinc/51/18/10/182511810.db2.gz BHMAFOHTUJOBRE-UHFFFAOYSA-N 0 0 303.793 3.714 50 0 DHAARN CC[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)c1ccc(C)cc1 ZINC000028236275 182515053 /nfs/dbraw/zinc/51/50/53/182515053.db2.gz LEHBBXGQHDLNPW-NSHDSACASA-N 0 0 311.307 3.618 50 0 DHAARN Cc1nn(C)c(C)c1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC000028305702 182520840 /nfs/dbraw/zinc/52/08/40/182520840.db2.gz NBMXCNREJQDHRO-UHFFFAOYSA-N 0 0 305.466 3.506 50 0 DHAARN O=C(COc1ccc(Oc2ccccn2)cc1)Oc1ccccc1 ZINC000029236025 182556977 /nfs/dbraw/zinc/55/69/77/182556977.db2.gz UCOZFTHJFLFZCA-UHFFFAOYSA-N 0 0 321.332 3.858 50 0 DHAARN C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000030009387 182582857 /nfs/dbraw/zinc/58/28/57/182582857.db2.gz DWLRZAIBRMRWJK-GFCCVEGCSA-N 0 0 317.820 3.845 50 0 DHAARN CC(C)c1ccc(NC(=O)c2cnn(C)c2-n2cccc2)cc1 ZINC000030814331 182598466 /nfs/dbraw/zinc/59/84/66/182598466.db2.gz KAZATTLAWGFIML-UHFFFAOYSA-N 0 0 308.385 3.587 50 0 DHAARN C[C@]1(C(=O)Nc2nc(C(F)(F)F)cs2)CC1(Cl)Cl ZINC000032471868 182643649 /nfs/dbraw/zinc/64/36/49/182643649.db2.gz CAJNPIWWXAQUEY-SSDOTTSWSA-N 0 0 319.135 3.684 50 0 DHAARN C[C@@]1(C(=O)Nc2nc(C(F)(F)F)cs2)CC1(Cl)Cl ZINC000032471864 182643799 /nfs/dbraw/zinc/64/37/99/182643799.db2.gz CAJNPIWWXAQUEY-ZETCQYMHSA-N 0 0 319.135 3.684 50 0 DHAARN CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(F)cc1Cl ZINC000032755110 182659857 /nfs/dbraw/zinc/65/98/57/182659857.db2.gz QYDCCIXMCSZBNW-JTQLQIEISA-N 0 0 307.818 3.582 50 0 DHAARN CCc1cc(C(=O)Nc2nc(C)c3c(n2)CCCC3)sc1C ZINC000032765275 182660725 /nfs/dbraw/zinc/66/07/25/182660725.db2.gz RYCASHFZQOWVAY-UHFFFAOYSA-N 0 0 315.442 3.848 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000032667879 182654104 /nfs/dbraw/zinc/65/41/04/182654104.db2.gz GKEYUFNPDDVGIS-MEDUHNTESA-N 0 0 317.772 3.815 50 0 DHAARN Clc1ccccc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000032688936 182655102 /nfs/dbraw/zinc/65/51/02/182655102.db2.gz ZURDWKDEMSHZTO-UHFFFAOYSA-N 0 0 313.788 3.808 50 0 DHAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccs1 ZINC000032871766 182673569 /nfs/dbraw/zinc/67/35/69/182673569.db2.gz FLKZFMYHLXWKTE-UHFFFAOYSA-N 0 0 324.409 3.544 50 0 DHAARN O=C(CCc1ccccc1)Nc1nc2c(s1)CCCCC2 ZINC000032885723 182674049 /nfs/dbraw/zinc/67/40/49/182674049.db2.gz WPVLSBFGAVZCMX-UHFFFAOYSA-N 0 0 300.427 3.983 50 0 DHAARN CCCc1ccc([C@H](NC(=O)c2cnn(C)c2C)C(C)C)cc1 ZINC000032879967 182674127 /nfs/dbraw/zinc/67/41/27/182674127.db2.gz NKVFHRUSURAPNK-GOSISDBHSA-N 0 0 313.445 3.808 50 0 DHAARN C[C@H](c1ccccc1)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000032900358 182675308 /nfs/dbraw/zinc/67/53/08/182675308.db2.gz RCYYKFYYIIRAPA-MRXNPFEDSA-N 0 0 319.408 3.634 50 0 DHAARN CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCc2ccccc21 ZINC000032905292 182676992 /nfs/dbraw/zinc/67/69/92/182676992.db2.gz OUFBLEOYDVFZHT-QGZVFWFLSA-N 0 0 319.360 3.553 50 0 DHAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc(Cl)ccc1F ZINC000032931292 182682746 /nfs/dbraw/zinc/68/27/46/182682746.db2.gz QRXBNTPMUXXPPV-IAQYHMDHSA-N 0 0 313.800 3.804 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)on1 ZINC000033270075 182699262 /nfs/dbraw/zinc/69/92/62/182699262.db2.gz QRWGDGRFTBUCKQ-INIZCTEOSA-N 0 0 316.376 3.843 50 0 DHAARN CC[C@@H](C)NC(=O)c1c(C)cc(C)n1Cc1ccc(F)c(F)c1 ZINC000035836991 182789347 /nfs/dbraw/zinc/78/93/47/182789347.db2.gz FVYCIDZAEGRCQC-GFCCVEGCSA-N 0 0 320.383 3.960 50 0 DHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cccc2ccccc21 ZINC000035685887 182786346 /nfs/dbraw/zinc/78/63/46/182786346.db2.gz GFELUIXUIYGAGH-OAHLLOKOSA-N 0 0 303.427 3.793 50 0 DHAARN CC(C)CCNC(=O)c1cncc(-c2cc(F)ccc2F)c1 ZINC000036349006 182817587 /nfs/dbraw/zinc/81/75/87/182817587.db2.gz XCCRWHUJLMAUCU-UHFFFAOYSA-N 0 0 304.340 3.803 50 0 DHAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3ncccc3C)c12 ZINC000036360790 182819357 /nfs/dbraw/zinc/81/93/57/182819357.db2.gz HGZDYRYATUFUNP-UHFFFAOYSA-N 0 0 310.357 3.610 50 0 DHAARN CC(C)OCCCNC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000036396084 182824812 /nfs/dbraw/zinc/82/48/12/182824812.db2.gz KQULKEGUDLROMA-UHFFFAOYSA-N 0 0 314.429 3.796 50 0 DHAARN COC(=O)c1ccc(OC)cc1OCc1cccc(Cl)c1 ZINC000036719667 182837421 /nfs/dbraw/zinc/83/74/21/182837421.db2.gz RKEAZRGXFNEUTP-UHFFFAOYSA-N 0 0 306.745 3.714 50 0 DHAARN COc1cccc(COC(=O)CCc2nc3ccccc3o2)c1 ZINC000037099242 182867037 /nfs/dbraw/zinc/86/70/37/182867037.db2.gz UAOAIJSZEBZTSE-UHFFFAOYSA-N 0 0 311.337 3.512 50 0 DHAARN C/C=C/Cn1c(C(=O)NCc2ccco2)cc2sccc21 ZINC000037541308 182905716 /nfs/dbraw/zinc/90/57/16/182905716.db2.gz MACIWOYBHMUCHD-NSCUHMNNSA-N 0 0 300.383 3.802 50 0 DHAARN O=C(NCC1(c2cccs2)CCOCC1)Nc1cccs1 ZINC000038489690 183000225 /nfs/dbraw/zinc/00/02/25/183000225.db2.gz CRKPQXDNLHQMGU-UHFFFAOYSA-N 0 0 322.455 3.680 50 0 DHAARN O=C(Nc1c(F)cccc1F)N1CCO[C@@H](c2ccccc2)C1 ZINC000038569935 183002970 /nfs/dbraw/zinc/00/29/70/183002970.db2.gz LSUDASYQAHKTCN-OAHLLOKOSA-N 0 0 318.323 3.570 50 0 DHAARN O=C(/C=C/c1cccs1)NCCOc1cccc2cccnc21 ZINC000038681015 183006564 /nfs/dbraw/zinc/00/65/64/183006564.db2.gz UZDXXAKXCDMHGL-CMDGGOBGSA-N 0 0 324.405 3.505 50 0 DHAARN CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)s1 ZINC000039996335 183027352 /nfs/dbraw/zinc/02/73/52/183027352.db2.gz QPWSDRYNLKWUIX-GFCCVEGCSA-N 0 0 316.378 3.687 50 0 DHAARN CCOC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 ZINC000039994041 183027464 /nfs/dbraw/zinc/02/74/64/183027464.db2.gz GBYXXIFUNXQADZ-UHFFFAOYSA-N 0 0 312.369 3.922 50 0 DHAARN Cc1ccsc1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000039995444 183027597 /nfs/dbraw/zinc/02/75/97/183027597.db2.gz MQTFKERUCFIRIH-UHFFFAOYSA-N 0 0 314.410 3.545 50 0 DHAARN O=C(NCCCOC1CCCCC1)Nc1c(F)cccc1F ZINC000040024036 183028106 /nfs/dbraw/zinc/02/81/06/183028106.db2.gz VFOSYEZLPRGYEN-UHFFFAOYSA-N 0 0 312.360 3.826 50 0 DHAARN Cc1cc(NC(=O)/C=C/c2csc(C)n2)n(-c2ccccc2)n1 ZINC000040033955 183029234 /nfs/dbraw/zinc/02/92/34/183029234.db2.gz FOLURVPSEURPIL-CMDGGOBGSA-N 0 0 324.409 3.598 50 0 DHAARN Cc1nc(C)c(C(=O)NCC2(c3ccccc3)CCC2)s1 ZINC000040039607 183029333 /nfs/dbraw/zinc/02/93/33/183029333.db2.gz CGCFBVPGKWWVAB-UHFFFAOYSA-N 0 0 300.427 3.612 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc21 ZINC000040034730 183029337 /nfs/dbraw/zinc/02/93/37/183029337.db2.gz IQUBSQGYBVEICN-YWPYICTPSA-N 0 0 315.417 3.901 50 0 DHAARN C[C@H](OCCCNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000040050734 183030033 /nfs/dbraw/zinc/03/00/33/183030033.db2.gz VKDNLKSRZSGHGV-HNNXBMFYSA-N 0 0 315.388 3.652 50 0 DHAARN O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000039274478 183015916 /nfs/dbraw/zinc/01/59/16/183015916.db2.gz CQELSZQJFRLUFQ-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN Cc1csc(N(C)C(=O)[C@H](C)Oc2cc(C)ccc2Cl)n1 ZINC000040145561 183040088 /nfs/dbraw/zinc/04/00/88/183040088.db2.gz GIUXCNSOBIDWPQ-NSHDSACASA-N 0 0 324.833 3.844 50 0 DHAARN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1cccc(F)c1 ZINC000040150195 183040235 /nfs/dbraw/zinc/04/02/35/183040235.db2.gz UBPRSJBRZRRBJX-HNNXBMFYSA-N 0 0 315.392 3.585 50 0 DHAARN CC(C)(C)SCC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000040159474 183040983 /nfs/dbraw/zinc/04/09/83/183040983.db2.gz FZMSUEDJCWQZHS-UHFFFAOYSA-N 0 0 319.392 3.896 50 0 DHAARN C[C@@H](Nc1ccc(F)cc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000040161221 183041032 /nfs/dbraw/zinc/04/10/32/183041032.db2.gz FLXSKXIESSGQLQ-LSDHHAIUSA-N 0 0 314.404 3.764 50 0 DHAARN Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2C)o1 ZINC000040159492 183041383 /nfs/dbraw/zinc/04/13/83/183041383.db2.gz WVKHQYDNTJFWBE-ZDUSSCGKSA-N 0 0 321.804 3.976 50 0 DHAARN Cc1ccccc1NCCC(=O)NCc1ccccc1Cl ZINC000040160530 183041454 /nfs/dbraw/zinc/04/14/54/183041454.db2.gz OIYROFVXEKJXTH-UHFFFAOYSA-N 0 0 302.805 3.767 50 0 DHAARN O=C(CC[C@H]1CCCO1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000040073865 183031358 /nfs/dbraw/zinc/03/13/58/183031358.db2.gz XAOUCXIFVSGSGV-CYBMUJFWSA-N 0 0 320.389 3.847 50 0 DHAARN C[C@@H](NC(=O)C1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000040074326 183031492 /nfs/dbraw/zinc/03/14/92/183031492.db2.gz ZOHJMSMWGIHKLJ-SNVBAGLBSA-N 0 0 301.308 3.953 50 0 DHAARN Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1Cl ZINC000040086416 183032192 /nfs/dbraw/zinc/03/21/92/183032192.db2.gz LUAOJERRUSYTGG-HNNXBMFYSA-N 0 0 322.767 3.643 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)NC[C@@H](O)c1ccccc1F ZINC000040099219 183034934 /nfs/dbraw/zinc/03/49/34/183034934.db2.gz UAGFGPNQQSMFNP-OAHLLOKOSA-N 0 0 322.767 3.643 50 0 DHAARN O=C(NCCc1ccccc1F)Nc1cccc(Cl)c1F ZINC000040103686 183035442 /nfs/dbraw/zinc/03/54/42/183035442.db2.gz BBBLZRSGTJOPTG-UHFFFAOYSA-N 0 0 310.731 3.982 50 0 DHAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[C@@H]1c1ccsc1 ZINC000040107769 183036301 /nfs/dbraw/zinc/03/63/01/183036301.db2.gz WPKOJKRBYFYYQI-CQSZACIVSA-N 0 0 313.382 3.709 50 0 DHAARN O=C(Nc1nc(-c2ccco2)cs1)c1ccc(F)cc1F ZINC000040111372 183036874 /nfs/dbraw/zinc/03/68/74/183036874.db2.gz SNRWGLAQIFRJIR-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN O=C(C[C@H]1CCCO1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000040108830 183037287 /nfs/dbraw/zinc/03/72/87/183037287.db2.gz ZUNVXFBTAWXAJD-IEBWSBKVSA-N 0 0 301.430 3.993 50 0 DHAARN COc1ccc(C2=CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000040119710 183037650 /nfs/dbraw/zinc/03/76/50/183037650.db2.gz FSRAZHSGBZTJGE-UHFFFAOYSA-N 0 0 311.356 3.764 50 0 DHAARN C[C@H]1CCc2c(sc3ncnc(NCc4nccs4)c23)C1 ZINC000040118725 183037865 /nfs/dbraw/zinc/03/78/65/183037865.db2.gz KFAAFTAPPXCHSY-VIFPVBQESA-N 0 0 316.455 3.885 50 0 DHAARN CCOc1ncccc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000040121123 183037994 /nfs/dbraw/zinc/03/79/94/183037994.db2.gz LWWNSQNXJYBXMJ-AWEZNQCLSA-N 0 0 317.414 3.911 50 0 DHAARN CCCCOc1ccc(CCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000040122374 183038433 /nfs/dbraw/zinc/03/84/33/183038433.db2.gz YNOOMTCQJWCOPI-QGZVFWFLSA-N 0 0 301.430 3.881 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccc(Sc2nc[nH]n2)cc1 ZINC000040134626 183039068 /nfs/dbraw/zinc/03/90/68/183039068.db2.gz YCUJIWAGCHVZBZ-UHFFFAOYSA-N 0 0 310.382 3.517 50 0 DHAARN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nccs1 ZINC000040140102 183039151 /nfs/dbraw/zinc/03/91/51/183039151.db2.gz IUPGFHSHHMHDJO-NSHDSACASA-N 0 0 304.415 3.847 50 0 DHAARN C[C@H]1C[C@H](C)N(C(=O)CCc2ccccc2Cl)c2ccnn21 ZINC000040146281 183039915 /nfs/dbraw/zinc/03/99/15/183039915.db2.gz HTSXPEJELGPKHI-STQMWFEESA-N 0 0 317.820 3.856 50 0 DHAARN O=C(Nc1ccc2[nH]cnc2c1)c1ccc(Br)cc1 ZINC000040282898 183050581 /nfs/dbraw/zinc/05/05/81/183050581.db2.gz LSOJJRDMMHFUDP-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN O=C1C[C@H](c2cccc(O)c2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040284766 183051196 /nfs/dbraw/zinc/05/11/96/183051196.db2.gz NIGLNGQRJYMJTK-OAHLLOKOSA-N 0 0 323.327 3.841 50 0 DHAARN Fc1ccc(Cc2nnc3sc(-c4ccsc4)nn23)cc1 ZINC000040268483 183049899 /nfs/dbraw/zinc/04/98/99/183049899.db2.gz CPKPZYRSDNOJNM-UHFFFAOYSA-N 0 0 316.386 3.644 50 0 DHAARN CC(C)CNc1nc(C(=O)Nc2ccc3cc[nH]c3c2)cs1 ZINC000040283787 183050371 /nfs/dbraw/zinc/05/03/71/183050371.db2.gz OQVYVWNDSBIIOQ-UHFFFAOYSA-N 0 0 314.414 3.945 50 0 DHAARN Cc1nc2ccccc2n1C(=O)c1c(C)onc1-c1ccccc1 ZINC000040488466 183078587 /nfs/dbraw/zinc/07/85/87/183078587.db2.gz RWJWBVBTKZAYNR-UHFFFAOYSA-N 0 0 317.348 3.997 50 0 DHAARN C[C@H](Nc1ccc2c(c1)OCCCO2)c1nc(C(C)(C)C)no1 ZINC000040493998 183080343 /nfs/dbraw/zinc/08/03/43/183080343.db2.gz YTQAJKXGCPAAFP-NSHDSACASA-N 0 0 317.389 3.702 50 0 DHAARN Cc1noc(C)c1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000040504750 183084597 /nfs/dbraw/zinc/08/45/97/183084597.db2.gz UDRDZMQLDMOLFF-IBGZPJMESA-N 0 0 307.397 3.698 50 0 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CSc1ccccc1C(=O)c1ccc(C2OCCO2)cc1 ZINC000043212632 183345329 /nfs/dbraw/zinc/34/53/29/183345329.db2.gz PNTRNUDDZFUMTP-UHFFFAOYSA-N 0 0 300.379 3.685 50 0 DHAARN O=C(NCc1ccccc1)Nc1ccc(Br)cc1F ZINC000043260416 183349019 /nfs/dbraw/zinc/34/90/19/183349019.db2.gz PGFMCVXDXUIJCQ-UHFFFAOYSA-N 0 0 323.165 3.910 50 0 DHAARN O=C(Nc1nc(C2CC2)cs1)N1CCc2sccc2C1 ZINC000043648471 183377473 /nfs/dbraw/zinc/37/74/73/183377473.db2.gz LTQKKDSEWIBYJF-UHFFFAOYSA-N 0 0 305.428 3.672 50 0 DHAARN C[C@@H](/C=C/I)COCc1ccccc1 ZINC000043763000 183384884 /nfs/dbraw/zinc/38/48/84/183384884.db2.gz FHCNVVDRKTXDOZ-AEZGRPFRSA-N 0 0 302.155 3.788 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1ccccc1 ZINC000044087559 183395068 /nfs/dbraw/zinc/39/50/68/183395068.db2.gz AJLPUWXJLLXXLE-GFCCVEGCSA-N 0 0 308.341 3.619 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000044103493 183395182 /nfs/dbraw/zinc/39/51/82/183395182.db2.gz REGXXJKSFATHEY-CYBMUJFWSA-N 0 0 323.396 3.918 50 0 DHAARN CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1N ZINC000103899444 193963112 /nfs/dbraw/zinc/96/31/12/193963112.db2.gz ODXCOJFQKGUIAL-UHFFFAOYSA-N 0 0 312.417 3.657 50 0 DHAARN O=C(Nc1nccs1)N1CCCCC[C@@H]1c1ccncc1 ZINC000045953502 183539825 /nfs/dbraw/zinc/53/98/25/183539825.db2.gz HVBZTHCYQPKQGG-CYBMUJFWSA-N 0 0 302.403 3.687 50 0 DHAARN CCc1ccc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)s1 ZINC000105135018 194077311 /nfs/dbraw/zinc/07/73/11/194077311.db2.gz ITRWAGRHAMBBLF-GXDHUFHOSA-N 0 0 320.483 3.701 50 0 DHAARN CCc1ccc(CNC(=O)N2CCC[C@@H]2c2cc(C)no2)s1 ZINC000046945510 183574191 /nfs/dbraw/zinc/57/41/91/183574191.db2.gz AFVJPNBYSFTLFU-CQSZACIVSA-N 0 0 319.430 3.654 50 0 DHAARN COc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)CCc2ccco2)cc1 ZINC000106581130 194233134 /nfs/dbraw/zinc/23/31/34/194233134.db2.gz DHMJNNWDQOBUAB-JEBQAFNWSA-N 0 0 313.397 3.529 50 0 DHAARN COc1cc([C@H](C)NC(=O)C2CCC2)ccc1OC1CCCC1 ZINC000048339871 183647198 /nfs/dbraw/zinc/64/71/98/183647198.db2.gz LZJZORKDDBHKAI-ZDUSSCGKSA-N 0 0 317.429 3.994 50 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O=C(/C=C/c1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2 ZINC000000253847 563234024 /nfs/dbraw/zinc/23/40/24/563234024.db2.gz YVZCFCQROVISEV-QPJJXVBHSA-N 0 0 315.756 3.763 50 0 DHAARN S=C1N=NC(Cc2c[nH]c3ccccc23)N1Cc1ccccc1 ZINC000000264339 563234583 /nfs/dbraw/zinc/23/45/83/563234583.db2.gz BDKIFTXJIQUPHX-UHFFFAOYSA-N 0 0 320.421 3.687 50 0 DHAARN O=S(=O)(NN(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000000272440 563235145 /nfs/dbraw/zinc/23/51/45/563235145.db2.gz DGBYZIRNJBIXEI-UHFFFAOYSA-N 0 0 324.405 3.718 50 0 DHAARN COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000000287169 563236032 /nfs/dbraw/zinc/23/60/32/563236032.db2.gz XVGVRVBWRQWNKC-UHFFFAOYSA-N 0 0 311.259 3.846 50 0 DHAARN O=C(Cc1ccccc1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000000284224 563236065 /nfs/dbraw/zinc/23/60/65/563236065.db2.gz RJRILESLEOORFJ-OAHLLOKOSA-N 0 0 307.315 3.519 50 0 DHAARN COc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1 ZINC000000291599 563236610 /nfs/dbraw/zinc/23/66/10/563236610.db2.gz DFBXYFYZFNNMCU-UHFFFAOYSA-N 0 0 321.130 3.768 50 0 DHAARN 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Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c1 ZINC000000308185 563239196 /nfs/dbraw/zinc/23/91/96/563239196.db2.gz SYDGMHQUXFVRMA-AWEZNQCLSA-N 0 0 301.386 3.508 50 0 DHAARN COC(=O)[C@@H](C(=O)Nc1cccc2ccccc21)C1CCCC1 ZINC000000313518 563239419 /nfs/dbraw/zinc/23/94/19/563239419.db2.gz NRCQKCQEYWWJEE-QGZVFWFLSA-N 0 0 311.381 3.758 50 0 DHAARN Brc1c(OCCn2ccnc2)ccc2ccccc21 ZINC000000311852 563239623 /nfs/dbraw/zinc/23/96/23/563239623.db2.gz ULDULKGHNBBVGF-UHFFFAOYSA-N 0 0 317.186 3.878 50 0 DHAARN CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000000314137 563240091 /nfs/dbraw/zinc/24/00/91/563240091.db2.gz YWNKPUJYQLTPNT-VAWYXSNFSA-N 0 0 308.381 3.933 50 0 DHAARN COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000000315939 563240161 /nfs/dbraw/zinc/24/01/61/563240161.db2.gz FJCSYMBPYCMNAZ-IZZDOVSWSA-N 0 0 301.773 3.678 50 0 DHAARN CC(C)CC(=O)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000000342012 563242128 /nfs/dbraw/zinc/24/21/28/563242128.db2.gz AVXDOTOLMKEJQS-UHFFFAOYSA-N 0 0 312.438 3.798 50 0 DHAARN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000349982 563243115 /nfs/dbraw/zinc/24/31/15/563243115.db2.gz SANMOUMDLDARRP-CYBMUJFWSA-N 0 0 323.845 3.640 50 0 DHAARN Cc1nnc(SCc2ccc(Br)cc2)s1 ZINC000000359961 563244425 /nfs/dbraw/zinc/24/44/25/563244425.db2.gz IPQNDZFBNNYACF-UHFFFAOYSA-N 0 0 301.234 3.901 50 0 DHAARN Cc1cccnc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000362838 563244735 /nfs/dbraw/zinc/24/47/35/563244735.db2.gz WJGDFZCVQHCNSY-UHFFFAOYSA-N 0 0 311.168 3.714 50 0 DHAARN COc1cc(OC)c(NC(=O)c2ccccc2OC)cc1Cl ZINC000000363206 563244943 /nfs/dbraw/zinc/24/49/43/563244943.db2.gz MIKDWDNUVFJLOX-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN COc1cccc(OC)c1C(=O)Nc1ccccc1-n1cccc1 ZINC000000363251 563245291 /nfs/dbraw/zinc/24/52/91/563245291.db2.gz CTQJIVOLZBLEEC-UHFFFAOYSA-N 0 0 322.364 3.747 50 0 DHAARN CC(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)OCO2 ZINC000000364490 563245376 /nfs/dbraw/zinc/24/53/76/563245376.db2.gz RZYSRRQSIYSDOY-UHFFFAOYSA-N 0 0 303.358 3.527 50 0 DHAARN O=C(Oc1ccccc1)c1cccc(I)c1 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/nfs/dbraw/zinc/25/21/18/563252118.db2.gz NGRMNRCBYXSZLJ-UHFFFAOYSA-N 0 0 302.215 3.915 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)CCC1CCCC1)CCC2 ZINC000000433081 563253226 /nfs/dbraw/zinc/25/32/26/563253226.db2.gz MUDIYOZZQZAACJ-UHFFFAOYSA-N 0 0 321.442 3.932 50 0 DHAARN COc1ccccc1Cc1noc(-c2ccccc2Cl)n1 ZINC000000442925 563254490 /nfs/dbraw/zinc/25/44/90/563254490.db2.gz IECFENLLPYFWAO-UHFFFAOYSA-N 0 0 300.745 3.989 50 0 DHAARN COc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000000442417 563254586 /nfs/dbraw/zinc/25/45/86/563254586.db2.gz QPVLRUPEJWXWKD-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN Cc1ccc2c(Cl)c(C(=O)Nc3nncs3)sc2c1 ZINC000000442456 563254591 /nfs/dbraw/zinc/25/45/91/563254591.db2.gz BRIABJPDPDTQLO-UHFFFAOYSA-N 0 0 309.803 3.967 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1 ZINC000000451964 563256673 /nfs/dbraw/zinc/25/66/73/563256673.db2.gz ZRZGASMMCLWOIH-SECBINFHSA-N 0 0 311.168 3.794 50 0 DHAARN CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCS3 ZINC000000456432 563257752 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563259967 /nfs/dbraw/zinc/25/99/67/563259967.db2.gz NTXFRFJWRHBCAY-ZDUSSCGKSA-N 0 0 311.385 3.859 50 0 aggregator DHAARN CCn1cc(Br)c(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000000468254 563260059 /nfs/dbraw/zinc/26/00/59/563260059.db2.gz WPKQRNZIILGJDB-UHFFFAOYSA-N 0 0 322.206 3.535 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000000471654 563260680 /nfs/dbraw/zinc/26/06/80/563260680.db2.gz HQJYHFPWUJGKIY-MRXNPFEDSA-N 0 0 303.789 3.814 50 0 DHAARN COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000473945 563261246 /nfs/dbraw/zinc/26/12/46/563261246.db2.gz JZQKYUNYOHUMKJ-NSHDSACASA-N 0 0 305.761 3.755 50 0 DHAARN COc1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000472868 563261345 /nfs/dbraw/zinc/26/13/45/563261345.db2.gz LWPBHFCIODMSQW-DHZHZOJOSA-N 0 0 301.773 3.678 50 0 DHAARN CCc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000000474827 563261744 /nfs/dbraw/zinc/26/17/44/563261744.db2.gz VPIJQPZOGYJUQB-UHFFFAOYSA-N 0 0 315.369 3.527 50 0 DHAARN Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)o2)o1 ZINC000000476942 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CCN1CCCc2cc(CCNC(=O)c3ccc(C)cc3)ccc21 ZINC000022732623 563350684 /nfs/dbraw/zinc/35/06/84/563350684.db2.gz OLRQUKGMDMRYTD-UHFFFAOYSA-N 0 0 322.452 3.740 50 0 DHAARN Cc1ccc(F)cc1NC(=O)c1sc2ncccc2c1N ZINC000009189670 563352029 /nfs/dbraw/zinc/35/20/29/563352029.db2.gz CCMKVXHTFCFLPM-UHFFFAOYSA-N 0 0 301.346 3.578 50 0 DHAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc2cccnc21 ZINC000009260513 563352938 /nfs/dbraw/zinc/35/29/38/563352938.db2.gz MIPSPANWDLYHIU-INIZCTEOSA-N 0 0 321.405 3.994 50 0 DHAARN O=C(NC1CCCCC1)c1cc(NC(=O)C2CC2)ccc1Cl ZINC000009231026 563352944 /nfs/dbraw/zinc/35/29/44/563352944.db2.gz LXXMIWWIOUOXBA-UHFFFAOYSA-N 0 0 320.820 3.751 50 0 DHAARN Cc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000009226998 563353072 /nfs/dbraw/zinc/35/30/72/563353072.db2.gz VOBIFOJOSGVZOJ-UHFFFAOYSA-N 0 0 311.360 3.980 50 0 DHAARN O=C(NCc1cccnc1)c1ccccc1Nc1ccccc1 ZINC000009645539 563353601 /nfs/dbraw/zinc/35/36/01/563353601.db2.gz OCHWAZPTFDGFCB-UHFFFAOYSA-N 0 0 303.365 3.755 50 0 DHAARN O=C(Nc1ccccc1OC[C@H]1CCCO1)NC1CCCCC1 ZINC000010155972 563355247 /nfs/dbraw/zinc/35/52/47/563355247.db2.gz XBKATECWVHZMRL-OAHLLOKOSA-N 0 0 318.417 3.699 50 0 DHAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)NC1CCCCC1 ZINC000010297238 563356348 /nfs/dbraw/zinc/35/63/48/563356348.db2.gz BSXIEICXSPXZQL-KRWDZBQOSA-N 0 0 318.417 3.699 50 0 DHAARN CCCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 ZINC000011614126 563358291 /nfs/dbraw/zinc/35/82/91/563358291.db2.gz WOYWCXQMDDAVEC-UHFFFAOYSA-N 0 0 321.442 3.705 50 0 DHAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000011879489 563360097 /nfs/dbraw/zinc/36/00/97/563360097.db2.gz XOAHGMLCAOWPIH-KRWDZBQOSA-N 0 0 315.457 3.593 50 0 DHAARN Cc1ncoc1C(=O)N1CCC[C@@H](CCc2ccccc2C)C1 ZINC000012053841 563360701 /nfs/dbraw/zinc/36/07/01/563360701.db2.gz FSOOKIRSJKUPIK-INIZCTEOSA-N 0 0 312.413 3.776 50 0 DHAARN Cc1c(C(=O)OC(C)C)sc2ncnc(N3CCCCC3)c12 ZINC000011990465 563360751 /nfs/dbraw/zinc/36/07/51/563360751.db2.gz CULVFRXBXCHDRX-UHFFFAOYSA-N 0 0 319.430 3.555 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1ccc(OCCOC)cc1 ZINC000012137741 563362508 /nfs/dbraw/zinc/36/25/08/563362508.db2.gz NAOFZYPRMCMPRX-UHFFFAOYSA-N 0 0 313.397 3.835 50 0 DHAARN CCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(C)cc1 ZINC000012274629 563365290 /nfs/dbraw/zinc/36/52/90/563365290.db2.gz JMATYOMOSDEIED-UHFFFAOYSA-N 0 0 320.396 3.781 50 0 DHAARN COc1ccccc1NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274397 563365460 /nfs/dbraw/zinc/36/54/60/563365460.db2.gz JIJDKCCCGUEGPT-UHFFFAOYSA-N 0 0 311.362 3.522 50 0 DHAARN CO[C@@H]1CCCN(C(=O)c2oc3c(cc(C)cc3Cl)c2C)C1 ZINC000012372887 563367010 /nfs/dbraw/zinc/36/70/10/563367010.db2.gz QSOIRNYBBCSOML-GFCCVEGCSA-N 0 0 321.804 3.954 50 0 DHAARN COC(=O)c1c(-c2ccccc2Cl)csc1NC(C)=O ZINC000012379559 563367833 /nfs/dbraw/zinc/36/78/33/563367833.db2.gz CHUBHQJNAPYQBU-UHFFFAOYSA-N 0 0 309.774 3.814 50 0 DHAARN Cc1nc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cs1 ZINC000012390781 563368381 /nfs/dbraw/zinc/36/83/81/563368381.db2.gz JCQXFURDSLYHSW-UHFFFAOYSA-N 0 0 316.304 3.531 50 0 DHAARN C[C@H](NC(=O)C(C)(C)Oc1ccc2c(c1)CCC2)c1ccncc1 ZINC000012383940 563368471 /nfs/dbraw/zinc/36/84/71/563368471.db2.gz NTGFLSLAUVQJFV-AWEZNQCLSA-N 0 0 324.424 3.605 50 0 DHAARN COc1ccc(-c2[nH]c3ccccc3c2C=O)c(OC)c1OC ZINC000012404980 563369024 /nfs/dbraw/zinc/36/90/24/563369024.db2.gz GHNGULOAABSOJT-UHFFFAOYSA-N 0 0 311.337 3.673 50 0 DHAARN CCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000012494136 563370587 /nfs/dbraw/zinc/37/05/87/563370587.db2.gz ISQOZOLMVUNYTM-ACCUITESSA-N 0 0 311.381 3.770 50 0 DHAARN Cc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000012561373 563370592 /nfs/dbraw/zinc/37/05/92/563370592.db2.gz BSTABEQNBSGNAN-DNVCBOLYSA-N 0 0 322.408 3.741 50 0 DHAARN CCOc1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000012790887 563373798 /nfs/dbraw/zinc/37/37/98/563373798.db2.gz MREWAITYZOABTC-RHSMWYFYSA-N 0 0 304.434 3.805 50 0 DHAARN Cc1c2oc(=O)c3c(c2cc2c1OC(C)(C)CC2=O)CCCC3 ZINC000012896258 563374903 /nfs/dbraw/zinc/37/49/03/563374903.db2.gz PERTYZOOFQREIS-UHFFFAOYSA-N 0 0 312.365 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/nfs/dbraw/zinc/38/03/49/563380349.db2.gz ZRDBKPLGEWTOGR-AWEZNQCLSA-N 0 0 307.440 3.590 50 0 DHAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc2n[nH]cc2c1 ZINC000013323846 563380629 /nfs/dbraw/zinc/38/06/29/563380629.db2.gz BLFKUJWEDXMUBQ-UHFFFAOYSA-N 0 0 303.724 3.537 50 0 DHAARN O=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1F ZINC000013325845 563380827 /nfs/dbraw/zinc/38/08/27/563380827.db2.gz AXWOZQKWKQJLCP-UHFFFAOYSA-N 0 0 313.250 3.862 50 0 DHAARN O=C(NCCCc1ccccc1)c1cc(F)c(F)cc1Cl ZINC000013325919 563380887 /nfs/dbraw/zinc/38/08/87/563380887.db2.gz WNOFNBBKMWADPF-UHFFFAOYSA-N 0 0 309.743 3.981 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)NCCC3=CCCCC3)cn2)n1 ZINC000032709642 563381103 /nfs/dbraw/zinc/38/11/03/563381103.db2.gz AZTKHHYSJDFNHF-UHFFFAOYSA-N 0 0 324.428 3.504 50 0 DHAARN Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)s1 ZINC000013330291 563381482 /nfs/dbraw/zinc/38/14/82/563381482.db2.gz HPAQVAJQQDLGIM-GFCCVEGCSA-N 0 0 304.415 3.981 50 0 DHAARN CC(=O)c1cn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000013479680 563381838 /nfs/dbraw/zinc/38/18/38/563381838.db2.gz FJWMGEOEGQZUKG-OKILXGFUSA-N 0 0 312.413 3.633 50 0 DHAARN O=c1[nH]c(SCc2cccc(Cl)c2)nc2ccccc12 ZINC000013496821 563382903 /nfs/dbraw/zinc/38/29/03/563382903.db2.gz CTEKFVDHYGGXEL-UHFFFAOYSA-N 0 0 302.786 3.869 50 0 DHAARN O=C([O-])c1cccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1 ZINC000013691959 563386216 /nfs/dbraw/zinc/38/62/16/563386216.db2.gz QEOPIKGKTSOCTI-UHFFFAOYSA-N 0 0 307.349 3.935 50 0 DHAARN CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013713564 563387267 /nfs/dbraw/zinc/38/72/67/563387267.db2.gz OKOUTDOIXXWBLD-UHFFFAOYSA-N 0 0 312.413 3.518 50 0 DHAARN COc1ccc(-c2n[nH]c(=S)n2C2CCCC2)cc1OC ZINC000013731611 563387914 /nfs/dbraw/zinc/38/79/14/563387914.db2.gz BFIZJBBLMFJJLA-UHFFFAOYSA-N 0 0 305.403 3.740 50 0 DHAARN Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cccnc1 ZINC000013735968 563388011 /nfs/dbraw/zinc/38/80/11/563388011.db2.gz LDPDYWZUZVPICM-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN CCCc1cc(C(=O)NCc2ccc(OC)c(OC)c2)cs1 ZINC000013744388 563388273 /nfs/dbraw/zinc/38/82/73/563388273.db2.gz CAFLJVBXVLVELA-UHFFFAOYSA-N 0 0 319.426 3.648 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)no1 ZINC000013744996 563388313 /nfs/dbraw/zinc/38/83/13/563388313.db2.gz SRGSIDNPBRBEBP-LLVKDONJSA-N 0 0 308.765 3.659 50 0 DHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccon1 ZINC000013745864 563388621 /nfs/dbraw/zinc/38/86/21/563388621.db2.gz FCZJBRLANAUJME-UHFFFAOYSA-N 0 0 303.705 3.544 50 0 DHAARN CCC(CC)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000032744699 563388910 /nfs/dbraw/zinc/38/89/10/563388910.db2.gz NPFUSZJNUFOFBQ-UHFFFAOYSA-N 0 0 311.809 3.554 50 0 DHAARN Cc1cc(C(=O)Nc2nnc(CC3CCCC3)s2)cs1 ZINC000013746660 563388925 /nfs/dbraw/zinc/38/89/25/563388925.db2.gz HJSBNGRTDUIYCU-UHFFFAOYSA-N 0 0 307.444 3.893 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)sc1C ZINC000032731869 563389034 /nfs/dbraw/zinc/38/90/34/563389034.db2.gz WXFKOVWOZHJJEB-LLVKDONJSA-N 0 0 317.410 3.627 50 0 DHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1C ZINC000013847447 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/nfs/dbraw/zinc/51/00/73/563510073.db2.gz LPRQIDZJBZCIKK-KRWDZBQOSA-N 0 0 323.444 3.815 50 0 DHAARN CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)s1 ZINC000077419964 563510241 /nfs/dbraw/zinc/51/02/41/563510241.db2.gz LSCFFSAEKVIRON-LBPRGKRZSA-N 0 0 317.385 3.720 50 0 DHAARN CCc1nc2c(ncnc2N2CCC[C@H](c3cccc(C)c3)C2)o1 ZINC000077437038 563510371 /nfs/dbraw/zinc/51/03/71/563510371.db2.gz ZCXAXQYXCRKZHV-HNNXBMFYSA-N 0 0 322.412 3.873 50 0 DHAARN CSc1ncccc1C(=O)N(C)Cc1cccc2ncccc12 ZINC000077459921 563510650 /nfs/dbraw/zinc/51/06/50/563510650.db2.gz CKVCHYUYDKUQDR-UHFFFAOYSA-N 0 0 323.421 3.624 50 0 DHAARN CC(C)SCCn1ccnc1-c1ccc(-n2ccnc2)cc1 ZINC000077489509 563510798 /nfs/dbraw/zinc/51/07/98/563510798.db2.gz KOKVOCUOHNUSNT-UHFFFAOYSA-N 0 0 312.442 3.877 50 0 DHAARN CC[C@H]1COCCN1C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000077487248 563510816 /nfs/dbraw/zinc/51/08/16/563510816.db2.gz WBIUBJZVAHZRDN-SFHVURJKSA-N 0 0 313.372 3.744 50 0 DHAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)C[C@@H]1CCCCO1 ZINC000077469874 563510949 /nfs/dbraw/zinc/51/09/49/563510949.db2.gz DYZQTFUYVPSPLG-AWEZNQCLSA-N 0 0 301.386 3.691 50 0 DHAARN Cc1csc(N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000077486013 563511279 /nfs/dbraw/zinc/51/12/79/563511279.db2.gz RJANLWWSXRSGMJ-ZDUSSCGKSA-N 0 0 312.442 3.787 50 0 DHAARN CC[C@H]1COCCN1C(=O)c1ccccc1-c1cccc(C)c1 ZINC000077555683 563511788 /nfs/dbraw/zinc/51/17/88/563511788.db2.gz VVLLSAREDFDKHW-KRWDZBQOSA-N 0 0 309.409 3.913 50 0 DHAARN Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000077564272 563511861 /nfs/dbraw/zinc/51/18/61/563511861.db2.gz FCJPCMANMXCQRA-LLVKDONJSA-N 0 0 310.323 3.516 50 0 DHAARN CC(C)(C)Oc1c(F)cc(NC(=O)C2CCOCC2)cc1F ZINC000097238708 563514534 /nfs/dbraw/zinc/51/45/34/563514534.db2.gz BILKUCQYEAJDJI-UHFFFAOYSA-N 0 0 313.344 3.507 50 0 DHAARN Cc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 ZINC000000056177 563515270 /nfs/dbraw/zinc/51/52/70/563515270.db2.gz GDCBPCTXDYMPNA-UHFFFAOYSA-N 0 0 307.349 3.766 50 0 biogenic,in-vitro DHAARN CC(=O)N(c1nc(CNc2cc(F)ccc2F)cs1)C1CC1 ZINC000097035190 563515811 /nfs/dbraw/zinc/51/58/11/563515811.db2.gz WRNCRZHBBPFIGZ-UHFFFAOYSA-N 0 0 323.368 3.549 50 0 DHAARN COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000062546 563516662 /nfs/dbraw/zinc/51/66/62/563516662.db2.gz BFNYTEYVPTZRLM-XNTDXEJSSA-N 0 0 313.740 3.693 50 0 DHAARN COC(=O)Nc1cccc(N[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000097037482 563517028 /nfs/dbraw/zinc/51/70/28/563517028.db2.gz KSHUVABAPWIEOH-GFCCVEGCSA-N 0 0 302.378 3.815 50 0 DHAARN c1csc([C@H]2CN(Cc3csc4ccccc34)CCO2)n1 ZINC000097200035 563519182 /nfs/dbraw/zinc/51/91/82/563519182.db2.gz KIFOHADGZUWJFU-CQSZACIVSA-N 0 0 316.451 3.931 50 0 DHAARN O=C(c1ccccc1C(F)(F)F)N1CCOc2ccccc2C1 ZINC000033300699 563519215 /nfs/dbraw/zinc/51/92/15/563519215.db2.gz CETMGOVUQQXCIR-UHFFFAOYSA-N 0 0 321.298 3.740 50 0 DHAARN COCCCN(C)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000585139826 563519247 /nfs/dbraw/zinc/51/92/47/563519247.db2.gz MOACIRRHKVQENL-UHFFFAOYSA-N 0 0 324.833 3.572 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)/C=C\c1ccc(C)o1 ZINC000033314029 563519730 /nfs/dbraw/zinc/51/97/30/563519730.db2.gz MAPWVHKBGBOJDF-FPLPWBNLSA-N 0 0 319.382 3.705 50 0 DHAARN c1cnn(CCSc2nnc(-c3cccc4ccccc43)o2)c1 ZINC000126951873 563519902 /nfs/dbraw/zinc/51/99/02/563519902.db2.gz VSCLKGGUMIVGSO-UHFFFAOYSA-N 0 0 322.393 3.879 50 0 DHAARN Cc1sc(-n2cccc2)c(C(=O)OC[C@@H]2CCCCO2)c1C ZINC000060748694 563522761 /nfs/dbraw/zinc/52/27/61/563522761.db2.gz AWTORUJJQJZXAA-AWEZNQCLSA-N 0 0 319.426 3.882 50 0 DHAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc2ccccc2s1 ZINC000246873753 563522947 /nfs/dbraw/zinc/52/29/47/563522947.db2.gz UXAOLRAOEJTDIM-YUTCNCBUSA-N 0 0 316.426 3.514 50 0 DHAARN COc1ccc(-c2nnc3ccc4ccccc4n32)cc1OC ZINC000000078460 563523216 /nfs/dbraw/zinc/52/32/16/563523216.db2.gz OUVLPUMZRFVMFO-UHFFFAOYSA-N 0 0 305.337 3.567 50 0 DHAARN CSc1ncccc1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000247522366 563526789 /nfs/dbraw/zinc/52/67/89/563526789.db2.gz LYMFDKQGHGCBEN-HZSPNIEDSA-N 0 0 304.459 3.892 50 0 DHAARN CC[C@H]1C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(F)cc1 ZINC000000089822 563527735 /nfs/dbraw/zinc/52/77/35/563527735.db2.gz GXIPECVEQGBITQ-CABCVRRESA-N 0 0 304.361 3.969 50 0 DHAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1c(F)cccc1F ZINC000000092253 563528450 /nfs/dbraw/zinc/52/84/50/563528450.db2.gz UCHOEDRDLQLUBU-UHFFFAOYSA-N 0 0 314.335 3.727 50 0 biogenic,in-vitro DHAARN CC(C)(C)OC(=O)N1CC=C(c2ccc(N)c(Cl)c2)CC1 ZINC000095218140 563529123 /nfs/dbraw/zinc/52/91/23/563529123.db2.gz YPDMGVJXZOQBHH-UHFFFAOYSA-N 0 0 308.809 3.946 50 0 DHAARN Cc1ccc2c(c1)SCC(=O)N2Cc1cc(C(C)C)no1 ZINC000095385512 563529808 /nfs/dbraw/zinc/52/98/08/563529808.db2.gz GXYSVAWJMJHYNB-UHFFFAOYSA-N 0 0 302.399 3.745 50 0 DHAARN O=C([O-])c1cccc([C@@H]2CCC[N@H+](CCCc3cccnc3)C2)c1 ZINC000095382386 563529822 /nfs/dbraw/zinc/52/98/22/563529822.db2.gz ZQCMPVMWYRILPF-LJQANCHMSA-N 0 0 324.424 3.592 50 0 DHAARN Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(O)c1 ZINC000095945919 563531506 /nfs/dbraw/zinc/53/15/06/563531506.db2.gz GJMMLKYEIGFZEE-UHFFFAOYSA-N 0 0 305.399 3.625 50 0 DHAARN CC(=O)N[C@@H](C)c1ccc(-c2cccc(-n3cccn3)c2)cc1 ZINC000096136044 563533505 /nfs/dbraw/zinc/53/35/05/563533505.db2.gz QOYJDDLJYVOGLM-AWEZNQCLSA-N 0 0 305.381 3.736 50 0 DHAARN NC(=O)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1Cl ZINC000096140806 563534067 /nfs/dbraw/zinc/53/40/67/563534067.db2.gz PENYHQIGNAJCKB-UHFFFAOYSA-N 0 0 300.667 3.520 50 0 DHAARN c1cn(CCOc2cccc(-c3cccc4c3OCC4)c2)cn1 ZINC000096139024 563534170 /nfs/dbraw/zinc/53/41/70/563534170.db2.gz YPXYBWKGXMUYOY-UHFFFAOYSA-N 0 0 306.365 3.564 50 0 DHAARN Cc1cccnc1NCCNC(=O)Nc1ccccc1C1CC1 ZINC000096141827 563534217 /nfs/dbraw/zinc/53/42/17/563534217.db2.gz XLTMCKLBKCZLKW-UHFFFAOYSA-N 0 0 310.401 3.501 50 0 DHAARN CCCNC(=O)c1cccc(-c2cc(OC)ncc2Cl)c1 ZINC000096148650 563534278 /nfs/dbraw/zinc/53/42/78/563534278.db2.gz YLONSVXMBDLICY-UHFFFAOYSA-N 0 0 304.777 3.550 50 0 DHAARN Cc1ccc2nc(C)c(C)c(-c3nc([C@@H]4CCOC4)no3)c2c1 ZINC000096152972 563534884 /nfs/dbraw/zinc/53/48/84/563534884.db2.gz FMCGAOYKJMBEIP-CYBMUJFWSA-N 0 0 309.369 3.714 50 0 DHAARN Cc1ccc2nsnc2c1NC(=O)c1ccccc1Cl ZINC000000097601 563536336 /nfs/dbraw/zinc/53/63/36/563536336.db2.gz AXKUJQKVEOKTCI-UHFFFAOYSA-N 0 0 303.774 3.905 50 0 DHAARN Cc1onc(-c2ccccc2)c1-c1nc2ccccc2c(=O)o1 ZINC000000097987 563536548 /nfs/dbraw/zinc/53/65/48/563536548.db2.gz UZCAMBONEJACPS-UHFFFAOYSA-N 0 0 304.305 3.818 50 0 DHAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cccc(F)c1 ZINC000011613445 563537673 /nfs/dbraw/zinc/53/76/73/563537673.db2.gz HHAOBXNOZZHWAJ-UHFFFAOYSA-N 0 0 314.291 3.550 50 0 DHAARN CC(C)Sc1ccc(NCCCc2nc(C(C)C)no2)nn1 ZINC000072944822 563538512 /nfs/dbraw/zinc/53/85/12/563538512.db2.gz ZYBJCALYLOZLEQ-UHFFFAOYSA-N 0 0 321.450 3.528 50 0 DHAARN COc1cc(C(=O)N[C@@H](C)C2=CCCCC2)c2ccccc2n1 ZINC000097324032 563538783 /nfs/dbraw/zinc/53/87/83/563538783.db2.gz NQDSTWOPOAGXHR-ZDUSSCGKSA-N 0 0 310.397 3.862 50 0 DHAARN COc1cc(CN2CC[C@@H]2c2ccc(F)cc2)cc2c1OCO2 ZINC000097370560 563539125 /nfs/dbraw/zinc/53/91/25/563539125.db2.gz ORDJKGVYWKIQQQ-OAHLLOKOSA-N 0 0 315.344 3.510 50 0 DHAARN CN(Cc1cc(C2CC2)on1)Cc1cc2c(cc1Cl)OCO2 ZINC000097514323 563539228 /nfs/dbraw/zinc/53/92/28/563539228.db2.gz APMVVDDQBQBIHS-UHFFFAOYSA-N 0 0 320.776 3.566 50 0 DHAARN CN(C)C(=O)c1cccnc1-c1ccc(F)cc1C(F)(F)F ZINC000097527803 563540554 /nfs/dbraw/zinc/54/05/54/563540554.db2.gz RGBYPDQLFMIDLP-UHFFFAOYSA-N 0 0 312.266 3.608 50 0 DHAARN COCc1cc(CN2CC[C@@H]2c2ccc(F)cc2)ccc1OC ZINC000097547667 563540607 /nfs/dbraw/zinc/54/06/07/563540607.db2.gz QKUGDCXMIWTNPH-GOSISDBHSA-N 0 0 315.388 3.928 50 0 DHAARN CC(C)c1nc(CN(C)C[C@H]2CCN(c3ccccc3)C2)co1 ZINC000097674039 563541246 /nfs/dbraw/zinc/54/12/46/563541246.db2.gz SBODPSWMGVDDCA-MRXNPFEDSA-N 0 0 313.445 3.756 50 0 DHAARN COc1cc2c(cc1CN1CCC[C@@H]1c1cc(C)on1)CCC2 ZINC000097757935 563542631 /nfs/dbraw/zinc/54/26/31/563542631.db2.gz OTLYUBGFCIKYRZ-GOSISDBHSA-N 0 0 312.413 3.817 50 0 DHAARN COc1cccc2c1OCCCN(Cc1coc(C(C)C)n1)C2 ZINC000097757886 563542769 /nfs/dbraw/zinc/54/27/69/563542769.db2.gz KJGROVQDYJUIIE-UHFFFAOYSA-N 0 0 316.401 3.591 50 0 DHAARN COc1cccc(NC(=S)N=[S@@](C)(=O)c2ccccc2)c1 ZINC000100217845 563547915 /nfs/dbraw/zinc/54/79/15/563547915.db2.gz PPAVPESGPMLZGM-NRFANRHFSA-N 0 0 320.439 3.549 50 0 DHAARN CCOc1ccc(C[C@H]2c3cccc(C)c3NC2=O)cc1OC ZINC000101016765 563555700 /nfs/dbraw/zinc/55/57/00/563555700.db2.gz ZFFCLYWKYURZBN-HNNXBMFYSA-N 0 0 311.381 3.681 50 0 DHAARN COc1cccc(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)c1OC ZINC000101013863 563555961 /nfs/dbraw/zinc/55/59/61/563555961.db2.gz VPROLXCHCAYKQB-ZDUSSCGKSA-N 0 0 317.772 3.636 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014022003 563556662 /nfs/dbraw/zinc/55/66/62/563556662.db2.gz QCAHZUOIQMMEAB-UHFFFAOYSA-N 0 0 313.382 3.921 50 0 DHAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000101724058 563558146 /nfs/dbraw/zinc/55/81/46/563558146.db2.gz WEBBMVXYAVNOEH-STQMWFEESA-N 0 0 319.788 3.584 50 0 DHAARN Cc1cccc(NC(=O)CNC(=O)c2ccc(C(C)C)cc2)c1C ZINC000014232569 563564864 /nfs/dbraw/zinc/56/48/64/563564864.db2.gz HVRSGMWDOXZPBJ-UHFFFAOYSA-N 0 0 324.424 3.795 50 0 DHAARN Cc1nc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c(C)s1 ZINC000178519182 563565297 /nfs/dbraw/zinc/56/52/97/563565297.db2.gz HPJAWVZYTCMJGG-QGZVFWFLSA-N 0 0 323.421 3.674 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCc1ccco1 ZINC000257173291 563567731 /nfs/dbraw/zinc/56/77/31/563567731.db2.gz IQZDUEPOFQJQAT-UHFFFAOYSA-N 0 0 324.355 3.762 50 0 DHAARN O=c1c(-c2ccc3c(c2)OCCCO3)coc2ccc(F)cc21 ZINC000000138894 563572462 /nfs/dbraw/zinc/57/24/62/563572462.db2.gz GWQFGZURVVTDOL-UHFFFAOYSA-N 0 0 312.296 3.760 50 0 DHAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000000148400 563573228 /nfs/dbraw/zinc/57/32/28/563573228.db2.gz HBHJORAFYFZCGO-ZHACJKMWSA-N 0 0 323.392 3.807 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000000145885 563573298 /nfs/dbraw/zinc/57/32/98/563573298.db2.gz WWCPQQAFYHXCSU-UHFFFAOYSA-N 0 0 307.353 3.859 50 0 DHAARN CCCn1cnc2scc(-c3ccc(OCC)cc3)c2c1=O ZINC000000148877 563573396 /nfs/dbraw/zinc/57/33/96/563573396.db2.gz IBPYYVCBFVBULN-UHFFFAOYSA-N 0 0 314.410 3.934 50 0 DHAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@@H]1CCCO1 ZINC000000179800 563575208 /nfs/dbraw/zinc/57/52/08/563575208.db2.gz HQCNNFGNOKEUSI-ZDUSSCGKSA-N 0 0 322.817 3.505 50 0 DHAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000000183423 563575989 /nfs/dbraw/zinc/57/59/89/563575989.db2.gz KPUUPZNXZNOWIA-UHFFFAOYSA-N 0 0 314.341 3.851 50 0 DHAARN Cc1c(Cl)ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1Cl ZINC000000192063 563576612 /nfs/dbraw/zinc/57/66/12/563576612.db2.gz UAYVBUPZVCHTSW-SECBINFHSA-N 0 0 322.257 3.722 50 0 DHAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C1CC1 ZINC000000189466 563576860 /nfs/dbraw/zinc/57/68/60/563576860.db2.gz NAXUPFRVULTTMJ-UHFFFAOYSA-N 0 0 319.817 3.621 50 0 DHAARN CC[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000000217202 563578423 /nfs/dbraw/zinc/57/84/23/563578423.db2.gz LJXFGFOGKAXHSX-ZDUSSCGKSA-N 0 0 305.381 3.825 50 0 DHAARN CN(C(=O)c1coc(=O)c2ccccc12)c1cccc(Cl)c1 ZINC000000211678 563578601 /nfs/dbraw/zinc/57/86/01/563578601.db2.gz PMBXECSKSFVLRJ-UHFFFAOYSA-N 0 0 313.740 3.723 50 0 DHAARN O=C(NCc1ccco1)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000233540 563579565 /nfs/dbraw/zinc/57/95/65/563579565.db2.gz KLTMBDIVOFXEJE-IBGZPJMESA-N 0 0 317.388 3.902 50 0 DHAARN COc1cccc(CN(C)C(=O)N[C@H](C)Cc2ccsc2)c1 ZINC000050157617 563579844 /nfs/dbraw/zinc/57/98/44/563579844.db2.gz NSSDOUYUFPLDAL-CYBMUJFWSA-N 0 0 318.442 3.529 50 0 DHAARN S=C(NCc1ccccc1)N1CCCC[C@@H]1c1cccnc1 ZINC000000240149 563580394 /nfs/dbraw/zinc/58/03/94/563580394.db2.gz OFSHQNOGDDEWPU-QGZVFWFLSA-N 0 0 311.454 3.683 50 0 biogenic DHAARN O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000000241635 563580908 /nfs/dbraw/zinc/58/09/08/563580908.db2.gz ANDGMNRUCHKTML-UHFFFAOYSA-N 0 0 301.342 3.780 50 0 DHAARN Cc1nc2sc3c(c2c(NCc2ccccn2)n1)CCCC3 ZINC000000250802 563582370 /nfs/dbraw/zinc/58/23/70/563582370.db2.gz WNKAIZKDEQUYNX-UHFFFAOYSA-N 0 0 310.426 3.886 50 0 DHAARN CCCN1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C ZINC000000262603 563582988 /nfs/dbraw/zinc/58/29/88/563582988.db2.gz LWVFZEKTMULTGS-MRXNPFEDSA-N 0 0 310.825 3.869 50 0 DHAARN COc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1OC ZINC000000311475 563587258 /nfs/dbraw/zinc/58/72/58/563587258.db2.gz GUESCLVRSLZFJI-UHFFFAOYSA-N 0 0 300.285 3.616 50 0 biogenic DHAARN Cc1ccc(S(=O)(=O)N(c2ccccc2C)C(F)F)cc1 ZINC000000307893 563587522 /nfs/dbraw/zinc/58/75/22/563587522.db2.gz RWDJJUBXQZNQCM-UHFFFAOYSA-N 0 0 311.353 3.721 50 0 DHAARN C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1ccncc1 ZINC000050551680 563588612 /nfs/dbraw/zinc/58/86/12/563588612.db2.gz ACLTXAJAJJMHCX-CYBMUJFWSA-N 0 0 318.804 3.771 50 0 DHAARN CCn1nc(C(=O)Nc2ccccc2F)c(Cl)c1Cl ZINC000000341166 563588705 /nfs/dbraw/zinc/58/87/05/563588705.db2.gz SEQLSNYCYZAQFU-UHFFFAOYSA-N 0 0 302.136 3.601 50 0 DHAARN C[C@@H](NC(=O)Cc1cc(-c2ccc(F)cc2)on1)c1ccccc1 ZINC000011693128 563588988 /nfs/dbraw/zinc/58/89/88/563588988.db2.gz FBISKWOQYJSHFS-CYBMUJFWSA-N 0 0 324.355 3.901 50 0 DHAARN CCOc1ccc(-c2ccc(C)c(NC(=O)c3ccco3)c2)nn1 ZINC000011694194 563589554 /nfs/dbraw/zinc/58/95/54/563589554.db2.gz WVSWMOXXUJVHBW-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN CCCc1cc2c(cc1NC(=O)Cc1ccc(F)cc1)OCO2 ZINC000000382009 563591284 /nfs/dbraw/zinc/59/12/84/563591284.db2.gz NAJRRTGKIHNALF-UHFFFAOYSA-N 0 0 315.344 3.688 50 0 DHAARN CCCc1nn(C)c(C(=O)N[C@@H](C)c2ccccc2)c1Cl ZINC000000385502 563591615 /nfs/dbraw/zinc/59/16/15/563591615.db2.gz SPAITSHKOBTMJO-NSHDSACASA-N 0 0 305.809 3.517 50 0 DHAARN CCN(CC)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000000383673 563591801 /nfs/dbraw/zinc/59/18/01/563591801.db2.gz FJDSKOVQQOLMRJ-UHFFFAOYSA-N 0 0 300.377 3.853 50 0 DHAARN C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O ZINC000118915830 563593647 /nfs/dbraw/zinc/59/36/47/563593647.db2.gz IDGBGVTYAWZBIJ-XNTXBEAUSA-N 0 0 300.398 3.605 50 0 DHAARN C[C@@H](Sc1ccccn1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000011710298 563596875 /nfs/dbraw/zinc/59/68/75/563596875.db2.gz HMEFLRCMCUNUSM-NWDGAFQWSA-N 0 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0 DHAARN Cc1ccc2c(c1)N(Cc1nnc(C3CC3)n1C1CC1)C[C@@H](C)O2 ZINC000253427418 563613641 /nfs/dbraw/zinc/61/36/41/563613641.db2.gz TZTQWPKZNLUTHG-CYBMUJFWSA-N 0 0 324.428 3.586 50 0 DHAARN CCN(C[C@H]1CCOC1)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000046597819 563614528 /nfs/dbraw/zinc/61/45/28/563614528.db2.gz PRSDEMAYEGURMX-GHMZBOCLSA-N 0 0 316.854 3.531 50 0 DHAARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1[N+](=O)[O-] ZINC000000431009 563614630 /nfs/dbraw/zinc/61/46/30/563614630.db2.gz CSWPQACCRQUHTG-GCHFJXRNSA-N 0 0 320.304 3.604 50 0 DHAARN COc1ccc(C(=O)n2nc(C)cc2Nc2ccccc2)cc1 ZINC000000432755 563614684 /nfs/dbraw/zinc/61/46/84/563614684.db2.gz LLIDJFAPQTUFDW-UHFFFAOYSA-N 0 0 307.353 3.632 50 0 DHAARN COc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 ZINC000000217178 563615184 /nfs/dbraw/zinc/61/51/84/563615184.db2.gz REUVKZNWGXCQKT-UHFFFAOYSA-N 0 0 318.376 3.803 50 0 DHAARN Cc1cnc(CN(C)C2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000072801581 563615503 /nfs/dbraw/zinc/61/55/03/563615503.db2.gz KHHFXWNJGPCFKO-UHFFFAOYSA-N 0 0 319.836 3.737 50 0 DHAARN Fc1ccccc1-c1nc(-c2cccc(-c3cc[nH]n3)c2)no1 ZINC000075467560 563616626 /nfs/dbraw/zinc/61/66/26/563616626.db2.gz DQVLNAANVOPSTJ-UHFFFAOYSA-N 0 0 306.300 3.933 50 0 DHAARN COc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000000463515 563617555 /nfs/dbraw/zinc/61/75/55/563617555.db2.gz ZCUUINQLLLHEDF-UHFFFAOYSA-N 0 0 320.772 3.950 50 0 DHAARN C[C@@H](NC(=O)/C=C/c1ccnc2ccccc12)c1cccnc1 ZINC000096410013 563619804 /nfs/dbraw/zinc/61/98/04/563619804.db2.gz RNVGJOFGSOIFKQ-MYSGNRETSA-N 0 0 303.365 3.520 50 0 DHAARN O=C(Nc1cccc2nsnc21)c1ncc(-c2ccccc2)o1 ZINC000206585319 563620278 /nfs/dbraw/zinc/62/02/78/563620278.db2.gz UPRGJVVTXXSSJD-UHFFFAOYSA-N 0 0 322.349 3.599 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)Cc3c(C)cccc3C)c2)n[nH]1 ZINC000179726056 563620294 /nfs/dbraw/zinc/62/02/94/563620294.db2.gz KVHYBPSNTZCFOK-UHFFFAOYSA-N 0 0 320.396 3.578 50 0 DHAARN CCn1c(SC[C@@H]2CCCCO2)nnc1-c1ccccc1 ZINC000002448888 563621534 /nfs/dbraw/zinc/62/15/34/563621534.db2.gz 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/nfs/dbraw/zinc/62/77/60/563627760.db2.gz HJMSYYJLUNHYCB-GFCCVEGCSA-N 0 0 316.228 3.769 50 0 DHAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000000302592 563629239 /nfs/dbraw/zinc/62/92/39/563629239.db2.gz AKQGMGRLHJGDPJ-AWEZNQCLSA-N 0 0 318.417 3.641 50 0 DHAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1 ZINC000000260526 563629356 /nfs/dbraw/zinc/62/93/56/563629356.db2.gz CQKKJQWWSKZZKA-UHFFFAOYSA-N 0 0 303.383 3.740 50 0 DHAARN CC1=NN(C(=S)c2ccccc2)[C@](C)(O)[C@@H]1Cc1ccccc1 ZINC000000432597 563630218 /nfs/dbraw/zinc/63/02/18/563630218.db2.gz AGLUYOLFYBCAIL-IEBWSBKVSA-N 0 0 324.449 3.621 50 0 DHAARN CC(=O)Nc1ccc([C@@]2(C)NN=C(c3ccccc3)S2)cc1 ZINC000000432544 563630264 /nfs/dbraw/zinc/63/02/64/563630264.db2.gz JAHNAYUFSWJFQN-KRWDZBQOSA-N 0 0 311.410 3.516 50 0 DHAARN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)cn1 ZINC000175789289 563634261 /nfs/dbraw/zinc/63/42/61/563634261.db2.gz IIJYOCLGWJZJLF-IUODEOHRSA-N 0 0 300.789 3.753 50 0 DHAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000003151534 563639225 /nfs/dbraw/zinc/63/92/25/563639225.db2.gz WMTPGFSIVANGDV-UHFFFAOYSA-N 0 0 314.410 3.838 50 0 DHAARN Cc1cc(C(=O)N2CCS[C@@H](c3ccco3)CC2)c(C)o1 ZINC000207009124 563643710 /nfs/dbraw/zinc/64/37/10/563643710.db2.gz DGEBJFWERBJPRR-OAHLLOKOSA-N 0 0 305.399 3.810 50 0 DHAARN COc1ccc(Cc2cnc(NC(=O)CC(C)C)s2)cc1 ZINC000000497850 563650966 /nfs/dbraw/zinc/65/09/66/563650966.db2.gz OXBNDPIGTVJKGU-UHFFFAOYSA-N 0 0 304.415 3.727 50 0 DHAARN Cc1nc2n(C)c3ccccc3n2c1C(=S)Nc1ccccc1 ZINC000000499554 563652368 /nfs/dbraw/zinc/65/23/68/563652368.db2.gz AGSCVOOEAWHRSY-UHFFFAOYSA-N 0 0 320.421 3.922 50 0 DHAARN Cc1[nH]c2cc(-c3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000018207557 563653528 /nfs/dbraw/zinc/65/35/28/563653528.db2.gz UIBMOIKMRSAICA-UHFFFAOYSA-N 0 0 315.376 3.589 50 0 DHAARN CCc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000000502335 563653647 /nfs/dbraw/zinc/65/36/47/563653647.db2.gz PXOCUEBXOBJVRY-UHFFFAOYSA-N 0 0 308.425 3.768 50 0 DHAARN O=C(Nc1ccccc1)N(Cc1ccccc1)C1=NCCS1 ZINC000000504297 563654461 /nfs/dbraw/zinc/65/44/61/563654461.db2.gz RJEFUGUAZORYQC-UHFFFAOYSA-N 0 0 311.410 3.824 50 0 DHAARN CC1=CC[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000101547185 563656296 /nfs/dbraw/zinc/65/62/96/563656296.db2.gz IXVJAVXCXHVDAV-GHMZBOCLSA-N 0 0 310.180 3.839 50 0 DHAARN Cc1csc(C2=C(N)N(CCC3=CCCCC3)CC2=O)n1 ZINC000102718703 563662023 /nfs/dbraw/zinc/66/20/23/563662023.db2.gz INFSNRMDXKHFEY-UHFFFAOYSA-N 0 0 303.431 3.904 50 0 DHAARN Cc1csc(C2=C(N)N(Cc3ccccc3Cl)CC2=O)n1 ZINC000102729412 563661602 /nfs/dbraw/zinc/66/16/02/563661602.db2.gz NOYRBQMSBAUCMT-UHFFFAOYSA-N 0 0 319.817 3.867 50 0 DHAARN Cc1csc(C2=C(N)N(c3ccc(Cl)cc3)CC2=O)n1 ZINC000102717238 563662036 /nfs/dbraw/zinc/66/20/36/563662036.db2.gz ZBZIZCZTBSQAPZ-UHFFFAOYSA-N 0 0 305.790 3.871 50 0 DHAARN COc1ccc(-c2nc3ccccc3c(=O)n2CC(C)C)cc1 ZINC000000520019 563662476 /nfs/dbraw/zinc/66/24/76/563662476.db2.gz AFYCFKKAJXWRSW-UHFFFAOYSA-N 0 0 308.381 3.728 50 0 DHAARN COc1cccc(CSc2nnc(-c3cccs3)n2C)c1 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CCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(F)cc1Cl ZINC000299789973 563806596 /nfs/dbraw/zinc/80/65/96/563806596.db2.gz AVFVKKRAVWPWCC-GFCCVEGCSA-N 0 0 314.788 3.902 50 0 DHAARN C[C@@H](SCC(=O)Nc1ccccn1)c1ncc(C(C)(C)C)o1 ZINC000083125068 563807360 /nfs/dbraw/zinc/80/73/60/563807360.db2.gz ZEDRCXJGNISNEG-LLVKDONJSA-N 0 0 319.430 3.800 50 0 DHAARN CC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 ZINC000012622873 563807479 /nfs/dbraw/zinc/80/74/79/563807479.db2.gz BWOGBNIJIQEPEN-UHFFFAOYSA-N 0 0 317.414 3.753 50 0 DHAARN CCOc1ccc(OCC)c(-c2csc(NC(C)=O)n2)c1 ZINC000012623068 563807572 /nfs/dbraw/zinc/80/75/72/563807572.db2.gz YDFHWEMLGFCKHQ-UHFFFAOYSA-N 0 0 306.387 3.566 50 0 DHAARN COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1 ZINC000012644781 563808673 /nfs/dbraw/zinc/80/86/73/563808673.db2.gz WAHODBACOHGUNL-INIZCTEOSA-N 0 0 316.788 3.553 50 0 DHAARN c1sc(NC[C@@H]2CCCO2)nc1-c1ccc2c(c1)CCC2 ZINC000025665848 563809064 /nfs/dbraw/zinc/80/90/64/563809064.db2.gz OZNMUAHVNLZXDN-HNNXBMFYSA-N 0 0 300.427 3.890 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2F)s1)Nc1ccccc1 ZINC000001249284 563809835 /nfs/dbraw/zinc/80/98/35/563809835.db2.gz WIHFQPUMCDVFPB-UHFFFAOYSA-N 0 0 314.345 3.988 50 0 DHAARN CCn1c(=O)c2c([nH]c1=S)-c1ccccc1C[C@@]2(C)CC ZINC000001261847 563810194 /nfs/dbraw/zinc/81/01/94/563810194.db2.gz UCYZWXGTKPVCPE-QGZVFWFLSA-N 0 0 300.427 3.817 50 0 DHAARN COc1ccc2nc(C)c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2c1 ZINC000025767515 563811617 /nfs/dbraw/zinc/81/16/17/563811617.db2.gz MZCVRRJRXJOISL-YVEFUNNKSA-N 0 0 312.413 3.860 50 0 DHAARN CCc1cc2c(ncnc2N2CCN(C)c3ccccc3C2)s1 ZINC000083820551 563812459 /nfs/dbraw/zinc/81/24/59/563812459.db2.gz QZWQNLJXINQVPH-UHFFFAOYSA-N 0 0 324.453 3.710 50 0 DHAARN CCc1noc(COC(=O)c2cc3c(ccc4ccccc34)[nH]2)n1 ZINC000083830519 563812873 /nfs/dbraw/zinc/81/28/73/563812873.db2.gz QBDHCJWDCYPKQG-UHFFFAOYSA-N 0 0 321.336 3.624 50 0 DHAARN COC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)cc1 ZINC000045900937 563813135 /nfs/dbraw/zinc/81/31/35/563813135.db2.gz LYOAJZQNFJACEX-UHFFFAOYSA-N 0 0 313.744 3.813 50 0 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C[C@H](Oc1c(Cl)cccc1Cl)c1ccnc2ncnn21 ZINC000001404242 563819543 /nfs/dbraw/zinc/81/95/43/563819543.db2.gz KQQQYNPEJRVKFN-QMMMGPOBSA-N 0 0 309.156 3.571 50 0 DHAARN Cc1cccc(CSC2=CS(=O)(=O)c3ccccc3N2)c1 ZINC000001406151 563819493 /nfs/dbraw/zinc/81/94/93/563819493.db2.gz QZJIWOVUYKHSIM-UHFFFAOYSA-N 0 0 317.435 3.927 50 0 DHAARN Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1ccncc1 ZINC000084013704 563820973 /nfs/dbraw/zinc/82/09/73/563820973.db2.gz ROJGHJNKGKFOJS-UHFFFAOYSA-N 0 0 312.348 3.667 50 0 DHAARN Cc1noc(C)c1COC(=O)c1ccc(OC2CCCC2)cc1 ZINC000084025338 563821277 /nfs/dbraw/zinc/82/12/77/563821277.db2.gz DYWVTDDXVRJYQB-UHFFFAOYSA-N 0 0 315.369 3.970 50 0 DHAARN C[C@@H](NC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000012748065 563821310 /nfs/dbraw/zinc/82/13/10/563821310.db2.gz CQIMVGLZRRVUDV-GFCCVEGCSA-N 0 0 316.351 3.794 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000084027061 563821351 /nfs/dbraw/zinc/82/13/51/563821351.db2.gz PGKPBUTYNWOXTB-KGLIPLIRSA-N 0 0 323.348 3.599 50 0 DHAARN O=C(NC1CCCCCCC1)c1nc(-c2cccs2)no1 ZINC000001426604 563823940 /nfs/dbraw/zinc/82/39/40/563823940.db2.gz BVYOUCNLPXIDHK-UHFFFAOYSA-N 0 0 305.403 3.641 50 0 DHAARN O=C(Nc1cccc2[nH]c(C(F)(F)F)nc21)c1ccccc1 ZINC000001430575 563823942 /nfs/dbraw/zinc/82/39/42/563823942.db2.gz GBIRXLGLSMTIBI-UHFFFAOYSA-N 0 0 305.259 3.834 50 0 DHAARN CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)cc3)cnc21 ZINC000012762486 563826282 /nfs/dbraw/zinc/82/62/82/563826282.db2.gz NCOZHCWAZVJLJZ-UHFFFAOYSA-N 0 0 314.776 3.918 50 0 DHAARN O=C(NCc1ccc2c(c1)CCC2)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000084372164 563826526 /nfs/dbraw/zinc/82/65/26/563826526.db2.gz SIJMNEZUZFNHBQ-RTBURBONSA-N 0 0 309.384 3.734 50 0 DHAARN O=C(N[C@@H]1CCCOc2c(Cl)c(Cl)ccc21)N1CCC1 ZINC000084339168 563826573 /nfs/dbraw/zinc/82/65/73/563826573.db2.gz PUMVXYCEQRYEHD-LLVKDONJSA-N 0 0 315.200 3.622 50 0 DHAARN O=C(NCc1ccc2c(c1)CCC2)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000084372162 563826633 /nfs/dbraw/zinc/82/66/33/563826633.db2.gz SIJMNEZUZFNHBQ-RBUKOAKNSA-N 0 0 309.384 3.734 50 0 DHAARN COc1ccc(C2=C(C#N)C(=N)C(C#N)=C3CCCCC[C@@H]32)cc1 ZINC000004946293 563827838 /nfs/dbraw/zinc/82/78/38/563827838.db2.gz PKPWHDHPUQPNRL-INIZCTEOSA-N 0 0 317.392 3.839 50 0 DHAARN CS[C@H]1CC[C@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1 ZINC000084642958 563829341 /nfs/dbraw/zinc/82/93/41/563829341.db2.gz QPXFLNSKLZAGTR-JQWIXIFHSA-N 0 0 324.412 3.787 50 0 DHAARN C[C@@H](NCc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1 ZINC000012780891 563830519 /nfs/dbraw/zinc/83/05/19/563830519.db2.gz HPRFYOIQYWPYLT-SNVBAGLBSA-N 0 0 303.749 3.834 50 0 DHAARN O=c1nc(Cc2ccccc2)[nH]c2sc3c(c21)CCCS3 ZINC000012781663 563830805 /nfs/dbraw/zinc/83/08/05/563830805.db2.gz XGMUZWYBTSVHIR-UHFFFAOYSA-N 0 0 314.435 3.614 50 0 DHAARN Cc1nc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)cs1 ZINC000078877266 563831265 /nfs/dbraw/zinc/83/12/65/563831265.db2.gz NAPPFTKHCNYVKU-UHFFFAOYSA-N 0 0 321.833 3.592 50 0 DHAARN COC(=O)c1cc(NC(=O)C(C)(C)c2ccccc2)ccc1F ZINC000012785493 563831610 /nfs/dbraw/zinc/83/16/10/563831610.db2.gz IFMZURGGKWZTOO-UHFFFAOYSA-N 0 0 315.344 3.529 50 0 DHAARN CC[C@@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(C)c(C)c1 ZINC000011903299 563835705 /nfs/dbraw/zinc/83/57/05/563835705.db2.gz PMUQZVRIUDKVIW-OAHLLOKOSA-N 0 0 315.442 3.911 50 0 DHAARN O=C(Cc1ccccc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000012811143 563835754 /nfs/dbraw/zinc/83/57/54/563835754.db2.gz LCPYDQSWTNZFDZ-OAHLLOKOSA-N 0 0 301.386 3.722 50 0 DHAARN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1nccs1 ZINC000011907378 563835944 /nfs/dbraw/zinc/83/59/44/563835944.db2.gz XMPFJYPUNYKBFM-JTQLQIEISA-N 0 0 315.423 3.811 50 0 DHAARN O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)N1CCCC1 ZINC000047515249 563836035 /nfs/dbraw/zinc/83/60/35/563836035.db2.gz QOKPPVJDQKVEGD-AWEZNQCLSA-N 0 0 313.401 3.609 50 0 DHAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2noc3ccccc32)o1 ZINC000053194082 563836534 /nfs/dbraw/zinc/83/65/34/563836534.db2.gz MFBDQRRCKNMPIS-DOMZBBRYSA-N 0 0 324.380 3.745 50 0 DHAARN O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(F)cc1 ZINC000012816512 563837578 /nfs/dbraw/zinc/83/75/78/563837578.db2.gz KKIAOCLCUZNQAN-UHFFFAOYSA-N 0 0 313.357 3.525 50 0 DHAARN CCc1ccsc1C(=O)NCCCCN(C)c1ccccc1 ZINC000053213175 563838116 /nfs/dbraw/zinc/83/81/16/563838116.db2.gz QNPGLZXSVJBFFH-UHFFFAOYSA-N 0 0 316.470 3.957 50 0 DHAARN O=C(c1csnn1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000063690601 563839103 /nfs/dbraw/zinc/83/91/03/563839103.db2.gz NJAPMZSHJUQXIX-UHFFFAOYSA-N 0 0 321.405 3.621 50 0 DHAARN CCO[C@@H](CCNC(=O)c1cc(-c2ccccc2)no1)C(C)C ZINC000074292614 563839428 /nfs/dbraw/zinc/83/94/28/563839428.db2.gz DDHSVDIQQGOVNB-INIZCTEOSA-N 0 0 316.401 3.523 50 0 DHAARN Cc1cc(OCC(=O)N[C@@H]2CCc3ccccc32)ccc1Cl ZINC000012821900 563841189 /nfs/dbraw/zinc/84/11/89/563841189.db2.gz RKOJHJOQRCMDAK-QGZVFWFLSA-N 0 0 315.800 3.831 50 0 DHAARN O=C(Nc1nnc(SCc2cccs2)s1)c1ccoc1 ZINC000053285248 563842694 /nfs/dbraw/zinc/84/26/94/563842694.db2.gz TUQAQBLHFVZITN-UHFFFAOYSA-N 0 0 323.424 3.737 50 0 DHAARN CCCC(=O)Nc1cccc(NCc2noc(CC(C)C)n2)c1 ZINC000086201783 563844820 /nfs/dbraw/zinc/84/48/20/563844820.db2.gz HVGLBNFVQVPPHO-UHFFFAOYSA-N 0 0 316.405 3.619 50 0 DHAARN C[C@H](c1ccco1)N(C(=O)N[C@@H](C)c1nccs1)C1CC1 ZINC000086394519 563845446 /nfs/dbraw/zinc/84/54/46/563845446.db2.gz HTPDDXRUAUKENO-WDEREUQCSA-N 0 0 305.403 3.732 50 0 DHAARN CCOc1ccc(-c2csc(Nc3cc(C)nn3C)n2)cc1 ZINC000012860578 563845467 /nfs/dbraw/zinc/84/54/67/563845467.db2.gz WNDDJCJTSHKQFZ-UHFFFAOYSA-N 0 0 314.414 3.994 50 0 DHAARN O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc2c(c1)CCC2 ZINC000012867143 563846097 /nfs/dbraw/zinc/84/60/97/563846097.db2.gz XVAJRPGEJMYDAE-UHFFFAOYSA-N 0 0 315.756 3.810 50 0 DHAARN CCOC(=O)C(CCC(C)C)(CCC(C)C)C(=O)OCC ZINC000002160438 563847480 /nfs/dbraw/zinc/84/74/80/563847480.db2.gz AKQHKNDYYIVNTI-UHFFFAOYSA-N 0 0 300.439 3.971 50 0 DHAARN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1 ZINC000012886876 563852455 /nfs/dbraw/zinc/85/24/55/563852455.db2.gz VHKNENGHUWSECL-HNNXBMFYSA-N 0 0 300.427 3.696 50 0 DHAARN Cn1ccc(Nc2ncnc3sc(-c4ccccc4)cc32)n1 ZINC000012904822 563853299 /nfs/dbraw/zinc/85/32/99/563853299.db2.gz TXKYXZQJNLVAAB-UHFFFAOYSA-N 0 0 307.382 3.835 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000012905585 563853421 /nfs/dbraw/zinc/85/34/21/563853421.db2.gz LAGRBEBTKYENJA-OAHLLOKOSA-N 0 0 321.380 3.587 50 0 DHAARN COC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000012919005 563853923 /nfs/dbraw/zinc/85/39/23/563853923.db2.gz GRSOSORRIJURJF-UHFFFAOYSA-N 0 0 309.365 3.534 50 0 DHAARN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 ZINC000012916553 563853998 /nfs/dbraw/zinc/85/39/98/563853998.db2.gz ORJPWXVADONRQL-LLVKDONJSA-N 0 0 314.335 3.866 50 0 DHAARN CSc1ncccc1C(=O)Nc1ccccc1Br ZINC000012929584 563855104 /nfs/dbraw/zinc/85/51/04/563855104.db2.gz LPLGMOPLLLVZLE-UHFFFAOYSA-N 0 0 323.215 3.818 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000012933127 563856703 /nfs/dbraw/zinc/85/67/03/563856703.db2.gz OOVSRCPGHGCJAM-QGZVFWFLSA-N 0 0 301.411 3.521 50 0 DHAARN CCCOc1cccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000075104495 563859821 /nfs/dbraw/zinc/85/98/21/563859821.db2.gz YZIXVMBPKBUQIP-WMZOPIPTSA-N 0 0 319.445 3.656 50 0 DHAARN O=C(Nc1cnn(CC(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC000075141058 563860885 /nfs/dbraw/zinc/86/08/85/563860885.db2.gz HJDJFIWZWIAOGP-UHFFFAOYSA-N 0 0 318.686 3.743 50 0 DHAARN C[C@](O)(CNC(=O)c1cccc2ccccc21)c1cccs1 ZINC000075155862 563861189 /nfs/dbraw/zinc/86/11/89/563861189.db2.gz NHHWUBQYILBRKC-SFHVURJKSA-N 0 0 311.406 3.539 50 0 DHAARN COC(=O)C1(N2CCCCC2)c2ccccc2-c2ccccc21 ZINC000075260325 563862191 /nfs/dbraw/zinc/86/21/91/563862191.db2.gz UCTWUFRNRWRPHR-UHFFFAOYSA-N 0 0 307.393 3.570 50 0 DHAARN CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccccc1 ZINC000075279396 563862633 /nfs/dbraw/zinc/86/26/33/563862633.db2.gz ZQVGYCLOVYPFGF-UHFFFAOYSA-N 0 0 324.767 3.959 50 0 DHAARN O=C(NCCc1ccccc1)c1cc2ccc3cccnc3c2[nH]1 ZINC000075343489 563863564 /nfs/dbraw/zinc/86/35/64/563863564.db2.gz FHSOGDBCSMRSGE-UHFFFAOYSA-N 0 0 315.376 3.689 50 0 DHAARN Clc1cccc(-c2cc(-c3nc(-c4cccnc4)no3)n[nH]2)c1 ZINC000075351802 563864262 /nfs/dbraw/zinc/86/42/62/563864262.db2.gz AQGHJXIXDSYTJV-UHFFFAOYSA-N 0 0 323.743 3.842 50 0 DHAARN O=C(NCC[C@H](CCO)c1cccs1)c1cccc(Cl)c1 ZINC000575604043 563864705 /nfs/dbraw/zinc/86/47/05/563864705.db2.gz PCTLFGYRGRAQCV-GFCCVEGCSA-N 0 0 323.845 3.688 50 0 DHAARN CC[C@@]1(c2ccccc2)NC(=O)N(C/C=C/c2ccccc2)C1=O ZINC000008389590 563864778 /nfs/dbraw/zinc/86/47/78/563864778.db2.gz YBIRGOQZEKCSQD-JTPHSUOKSA-N 0 0 320.392 3.557 50 0 DHAARN C[C@@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@H](c2ccco2)C1 ZINC000075386845 563864898 /nfs/dbraw/zinc/86/48/98/563864898.db2.gz SAUUZCWZTHFDQB-DYVFJYSZSA-N 0 0 323.396 3.698 50 0 DHAARN COc1ccc(C(=O)NCc2ccc(-c3ccco3)o2)cc1F ZINC000575609027 563865697 /nfs/dbraw/zinc/86/56/97/563865697.db2.gz NFBISBFWVDWONM-UHFFFAOYSA-N 0 0 315.300 3.617 50 0 DHAARN COc1ccc(CNC(=O)c2cc(C)nc3ccc(C)cc32)cc1 ZINC000026523607 563866117 /nfs/dbraw/zinc/86/61/17/563866117.db2.gz MVNXYWRNFCKJIZ-UHFFFAOYSA-N 0 0 320.392 3.790 50 0 DHAARN Cc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2OC3)cc1 ZINC000006233778 563866689 /nfs/dbraw/zinc/86/66/89/563866689.db2.gz XEHUIPWFZREHDF-UHFFFAOYSA-N 0 0 317.348 3.597 50 0 DHAARN O=C(CSCc1ccccc1)NCc1cncc(C2CC2)c1 ZINC000575619111 563867857 /nfs/dbraw/zinc/86/78/57/563867857.db2.gz GPIKLYQHDGLAMZ-UHFFFAOYSA-N 0 0 312.438 3.509 50 0 DHAARN COc1cc(Br)c(Cl)c(Br)c1 ZINC000036532739 563868768 /nfs/dbraw/zinc/86/87/68/563868768.db2.gz ZSOCQOCQLMDAJL-UHFFFAOYSA-N 0 0 300.377 3.874 50 0 DHAARN O=C(C1CCOCC1)N1CCCSc2ccc(Cl)cc21 ZINC000079721408 563871458 /nfs/dbraw/zinc/87/14/58/563871458.db2.gz PLTMYEMGXUDDBV-UHFFFAOYSA-N 0 0 311.834 3.595 50 0 DHAARN Cc1cccc(Cn2nccc2NC(=O)/C=C/c2ccsc2)c1 ZINC000030527252 563873334 /nfs/dbraw/zinc/87/33/34/563873334.db2.gz JWXFTUDQVZIIEM-AATRIKPKSA-N 0 0 323.421 3.953 50 0 DHAARN CC(C)OC1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000191469214 563874491 /nfs/dbraw/zinc/87/44/91/563874491.db2.gz QUDVYTMPMJGCJC-UHFFFAOYSA-N 0 0 316.239 3.868 50 0 DHAARN O=C(NCCCOCc1ccccc1)c1cccc2cccnc21 ZINC000013000931 563875054 /nfs/dbraw/zinc/87/50/54/563875054.db2.gz SIRAMULVLFIRHQ-UHFFFAOYSA-N 0 0 320.392 3.572 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013005618 563875150 /nfs/dbraw/zinc/87/51/50/563875150.db2.gz DGTFQSDFTTYGMD-UGSOOPFHSA-N 0 0 323.392 3.669 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)CCc2ccc3[nH]cnc3c2)c(C)c1 ZINC000075478906 563876090 /nfs/dbraw/zinc/87/60/90/563876090.db2.gz LUENAPUXNFGDST-HNNXBMFYSA-N 0 0 321.424 3.990 50 0 DHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000013012649 563876131 /nfs/dbraw/zinc/87/61/31/563876131.db2.gz YNBVBKLLTQNMPB-AWEZNQCLSA-N 0 0 306.365 3.949 50 0 DHAARN Cc1nnc(COc2cc(F)c(Br)cc2Cl)o1 ZINC000252484199 563877160 /nfs/dbraw/zinc/87/71/60/563877160.db2.gz FREYZVOMSHLEHQ-UHFFFAOYSA-N 0 0 321.533 3.512 50 0 DHAARN CCCCn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001784975 563878729 /nfs/dbraw/zinc/87/87/29/563878729.db2.gz VROKGDVKCHRYIT-NSHDSACASA-N 0 0 319.474 3.804 50 0 DHAARN Cc1ccc(NC(=O)NCCc2ccc(O)cc2)cc1Cl ZINC000038031938 563878800 /nfs/dbraw/zinc/87/88/00/563878800.db2.gz KZCBBXBFDBXOHH-UHFFFAOYSA-N 0 0 304.777 3.718 50 0 DHAARN CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)C(C)(C)O1 ZINC000246052195 563882632 /nfs/dbraw/zinc/88/26/32/563882632.db2.gz ALUPKYBXLPMEJV-OBJOEFQTSA-N 0 0 323.383 3.531 50 0 DHAARN C[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC000026807623 563882675 /nfs/dbraw/zinc/88/26/75/563882675.db2.gz LDYHDDUMKHKVKO-TXEJJXNPSA-N 0 0 306.793 3.604 50 0 DHAARN COC(=O)C1CCC(Nc2cccc(-c3nc(C)co3)c2)CC1 ZINC000192447478 563885651 /nfs/dbraw/zinc/88/56/51/563885651.db2.gz GQPWNOPOUKKBDJ-UHFFFAOYSA-N 0 0 314.385 3.794 50 0 DHAARN COc1cccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000026898194 563886118 /nfs/dbraw/zinc/88/61/18/563886118.db2.gz DGZVAIIKCSATRP-CQSZACIVSA-N 0 0 306.406 3.507 50 0 DHAARN CCOC(=O)c1c(NC(=O)C=C(C)C)sc2c1CC[C@@H](C)C2 ZINC000001937589 563886163 /nfs/dbraw/zinc/88/61/63/563886163.db2.gz BXZHKZQOZZIPKV-LLVKDONJSA-N 0 0 321.442 3.954 50 0 DHAARN COc1cc2c(cc1OC)CN(Cc1ccc(Cl)cc1)CC2 ZINC000000294209 563886896 /nfs/dbraw/zinc/88/68/96/563886896.db2.gz AEKAEVSJEHKTTE-UHFFFAOYSA-N 0 0 317.816 3.916 50 0 biogenic DHAARN Cc1c(COC(C)C)cccc1NC(=O)N(C)[C@@H]1CCSC1 ZINC000089540398 563890891 /nfs/dbraw/zinc/89/08/91/563890891.db2.gz MDIGPZXBVDDGSL-OAHLLOKOSA-N 0 0 322.474 3.889 50 0 DHAARN O=C(NCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000054376356 563891791 /nfs/dbraw/zinc/89/17/91/563891791.db2.gz LJSOAOUVZPTTCP-QGZVFWFLSA-N 0 0 320.396 3.610 50 0 DHAARN Cc1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1 ZINC000006671848 563892697 /nfs/dbraw/zinc/89/26/97/563892697.db2.gz KDEPPCQGJUSMMQ-UHFFFAOYSA-N 0 0 305.381 3.998 50 0 DHAARN CC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C)c1 ZINC000036095330 563893014 /nfs/dbraw/zinc/89/30/14/563893014.db2.gz IBPIVNYALHVNCP-IBGZPJMESA-N 0 0 313.441 3.777 50 0 DHAARN Cc1ccc(CO[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000036314737 563894967 /nfs/dbraw/zinc/89/49/67/563894967.db2.gz LQYLSFZLIFIKRC-IBGZPJMESA-N 0 0 309.409 3.816 50 0 DHAARN Cc1cccc(-c2cncc(C(=O)NCc3ccccn3)c2)c1C ZINC000036349143 563895755 /nfs/dbraw/zinc/89/57/55/563895755.db2.gz UDLVDQWRDVDWPE-UHFFFAOYSA-N 0 0 317.392 3.690 50 0 DHAARN Cc1ccc(N2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1 ZINC000001689561 563895868 /nfs/dbraw/zinc/89/58/68/563895868.db2.gz RSLLZVWKCCWWFC-NRFANRHFSA-N 0 0 315.372 3.849 50 0 DHAARN CC(C)NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 ZINC000036360428 563896237 /nfs/dbraw/zinc/89/62/37/563896237.db2.gz LSWCLNDVCHVJNJ-UHFFFAOYSA-N 0 0 322.408 3.745 50 0 DHAARN CC(C)Oc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1 ZINC000036358362 563896259 /nfs/dbraw/zinc/89/62/59/563896259.db2.gz ZMGTZUJJARSRAX-LLVKDONJSA-N 0 0 303.387 3.636 50 0 DHAARN O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc(F)c1 ZINC000036365921 563896766 /nfs/dbraw/zinc/89/67/66/563896766.db2.gz QTVHEROFWQFVLG-UHFFFAOYSA-N 0 0 323.249 3.973 50 0 DHAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000006872506 563897637 /nfs/dbraw/zinc/89/76/37/563897637.db2.gz NXKZMUWJNKQZHB-AWEZNQCLSA-N 0 0 302.349 3.885 50 0 DHAARN O[C@@](c1ccccc1)(c1ccccn1)C(F)(F)C(F)(F)F ZINC000002528691 563897963 /nfs/dbraw/zinc/89/79/63/563897963.db2.gz YUZVIEPNEMEPOX-LBPRGKRZSA-N 0 0 303.230 3.515 50 0 DHAARN CSc1ncccc1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036394663 563898279 /nfs/dbraw/zinc/89/82/79/563898279.db2.gz LYMFDKQGHGCBEN-MELADBBJSA-N 0 0 304.459 3.892 50 0 DHAARN O=C(Cc1ccccc1)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000169773700 563898906 /nfs/dbraw/zinc/89/89/06/563898906.db2.gz QCTHKQTWXKOCHF-SFHVURJKSA-N 0 0 304.393 3.904 50 0 DHAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000036416296 563899015 /nfs/dbraw/zinc/89/90/15/563899015.db2.gz XXFFNUBOFHXZRJ-AGIUHOORSA-N 0 0 317.458 3.738 50 0 DHAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000006896384 563899141 /nfs/dbraw/zinc/89/91/41/563899141.db2.gz GSJPJDRUSWNREX-HNNXBMFYSA-N 0 0 304.802 3.509 50 0 DHAARN CC[C@H](C(=O)Nc1cc(-c2ccccn2)no1)c1ccccc1 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563901309 /nfs/dbraw/zinc/90/13/09/563901309.db2.gz XNCSVRHMWJTPCF-UHFFFAOYSA-N 0 0 314.143 3.810 50 0 DHAARN CCc1ccc2c(CC(=O)Nc3ccc4c(c3)OCO4)coc2c1 ZINC000007007540 563901320 /nfs/dbraw/zinc/90/13/20/563901320.db2.gz JNKJAQWRGVVINS-UHFFFAOYSA-N 0 0 323.348 3.905 50 0 DHAARN O=C(NCCc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000036620369 563901630 /nfs/dbraw/zinc/90/16/30/563901630.db2.gz UTBKXPXMZFTWOX-SFHVURJKSA-N 0 0 312.388 3.915 50 0 DHAARN O=C(NCc1cc(-c2cccs2)on1)c1cc2ccccc2[nH]1 ZINC000036662417 563902640 /nfs/dbraw/zinc/90/26/40/563902640.db2.gz DRAAWNHCLUKBGA-UHFFFAOYSA-N 0 0 323.377 3.814 50 0 DHAARN O=C(Cn1c2ccccc2c2c1CCC2)NCc1cccs1 ZINC000036708626 563903250 /nfs/dbraw/zinc/90/32/50/563903250.db2.gz OJSVRGDZZHIROK-UHFFFAOYSA-N 0 0 310.422 3.508 50 0 DHAARN Cc1sc2ncnc(NCCc3nc4ccccc4[nH]3)c2c1C ZINC000007128753 563903545 /nfs/dbraw/zinc/90/35/45/563903545.db2.gz ASNFCHKMNRUBJO-UHFFFAOYSA-N 0 0 323.425 3.839 50 0 DHAARN Cc1cc(C)c(C[NH2+][C@@H](CC(=O)[O-])c2ccsc2)cc1C ZINC000170090958 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563917955 /nfs/dbraw/zinc/91/79/55/563917955.db2.gz ZWYXMGZSNIDYEI-CQSZACIVSA-N 0 0 302.399 3.544 50 0 DHAARN CSCc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000007705479 563917971 /nfs/dbraw/zinc/91/79/71/563917971.db2.gz DADUGZFZOWEBIG-MRXNPFEDSA-N 0 0 313.422 3.803 50 0 DHAARN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037501613 563918110 /nfs/dbraw/zinc/91/81/10/563918110.db2.gz YBAOZGBOJWHUTH-CQSZACIVSA-N 0 0 319.202 3.755 50 0 DHAARN CC(C)Cn1c(C(=O)NCc2ccccn2)cc2sccc21 ZINC000037525480 563918211 /nfs/dbraw/zinc/91/82/11/563918211.db2.gz FKFBXAQUHFJLFV-UHFFFAOYSA-N 0 0 313.426 3.684 50 0 DHAARN Cc1cccc(CN2CCN(c3cc(C)ccc3C)C(=O)[C@@H]2C)c1 ZINC000037520223 563918377 /nfs/dbraw/zinc/91/83/77/563918377.db2.gz VHGTVFYPHVZUEG-SFHVURJKSA-N 0 0 322.452 3.849 50 0 DHAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000007770155 563918913 /nfs/dbraw/zinc/91/89/13/563918913.db2.gz NXVGAFJFPLLDPH-CXAGYDPISA-N 0 0 310.397 3.554 50 0 DHAARN c1nc2sc3c(c2c(SC[C@@H]2CCCCO2)n1)CCC3 ZINC000007779796 563919169 /nfs/dbraw/zinc/91/91/69/563919169.db2.gz RSTALMYFCHHYDT-JTQLQIEISA-N 0 0 306.456 3.841 50 0 DHAARN S=C(NCc1ccccc1N1CCCC1)NC1CCCCC1 ZINC000066008967 563919203 /nfs/dbraw/zinc/91/92/03/563919203.db2.gz OAEHIHDYQSSIQX-UHFFFAOYSA-N 0 0 317.502 3.584 50 0 DHAARN CCCCN1c2ccccc2N(CCCO)c2cc(C)nnc21 ZINC000002215476 563919368 /nfs/dbraw/zinc/91/93/68/563919368.db2.gz IHHJHOMBZIWVOJ-UHFFFAOYSA-N 0 0 312.417 3.557 50 0 DHAARN Cc1ccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000015123006 563919604 /nfs/dbraw/zinc/91/96/04/563919604.db2.gz KLDODOPGRIZCAI-UHFFFAOYSA-N 0 0 322.330 3.742 50 0 DHAARN COc1ccccc1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000007814279 563920016 /nfs/dbraw/zinc/92/00/16/563920016.db2.gz HHDMOKBTRWZTAT-GFCCVEGCSA-N 0 0 303.789 3.769 50 0 DHAARN Fc1cccc(CCNc2ncnc3sc4c(c32)CCC4)c1 ZINC000007903999 563920509 /nfs/dbraw/zinc/92/05/09/563920509.db2.gz LOHFMLYOXIITCI-UHFFFAOYSA-N 0 0 313.401 3.974 50 0 DHAARN COc1ccc(NC(=O)c2cc(F)ccc2Br)cc1 ZINC000007917469 563920680 /nfs/dbraw/zinc/92/06/80/563920680.db2.gz CNAMOPJUKYZQNX-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN Cc1ccc(F)cc1NCC(=O)N1CCC[C@H]1c1cccs1 ZINC000015292386 563920934 /nfs/dbraw/zinc/92/09/34/563920934.db2.gz TXVLISRYGRXGQW-HNNXBMFYSA-N 0 0 318.417 3.971 50 0 DHAARN CCc1cccc(CC)c1NC(=O)CN(C)Cc1ccsc1 ZINC000007926887 563921065 /nfs/dbraw/zinc/92/10/65/563921065.db2.gz QBMRNZOUVLKWJI-UHFFFAOYSA-N 0 0 316.470 3.943 50 0 DHAARN CCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F ZINC000002286691 563924892 /nfs/dbraw/zinc/92/48/92/563924892.db2.gz LMRNYPTZODFOFJ-UHFFFAOYSA-N 0 0 306.231 3.603 50 0 DHAARN Cc1cc2cc(C(=O)NCCCC[C@@H]3CCCO3)ccc2o1 ZINC000584895921 563925589 /nfs/dbraw/zinc/92/55/89/563925589.db2.gz KIJXYPYEUWNAKL-MRXNPFEDSA-N 0 0 301.386 3.820 50 0 DHAARN C[C@@H]1CC[C@H](NC(=O)C[C@H](O)CC(C)(C)C)c2ccccc21 ZINC000253432334 563925689 /nfs/dbraw/zinc/92/56/89/563925689.db2.gz XXDYTDPGGBKSQN-KEYYUXOJSA-N 0 0 303.446 3.928 50 0 DHAARN CCC[C@@H]1C[C@H]1NC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000253432287 563925719 /nfs/dbraw/zinc/92/57/19/563925719.db2.gz YGEJMWQYOBRISW-TZMCWYRMSA-N 0 0 315.335 3.823 50 0 DHAARN CCCOc1cccc(/C=C2\N=C(c3cccs3)OC2=O)c1 ZINC000002317991 563925826 /nfs/dbraw/zinc/92/58/26/563925826.db2.gz FVLHCTPTDNMUJA-KAMYIIQDSA-N 0 0 313.378 3.881 50 0 DHAARN COc1cc(OC)c(N[C@@H](C)c2nc(C3CC3)no2)cc1Cl ZINC000055151655 563927524 /nfs/dbraw/zinc/92/75/24/563927524.db2.gz FDFGCPUEFUXEAY-QMMMGPOBSA-N 0 0 323.780 3.791 50 0 DHAARN CCn1c(=O)c2sccc2nc1SCc1ccccc1F ZINC000027818021 563928007 /nfs/dbraw/zinc/92/80/07/563928007.db2.gz KECYFHSHKFHKHU-UHFFFAOYSA-N 0 0 320.414 3.909 50 0 DHAARN O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(F)c1 ZINC000007944892 563928905 /nfs/dbraw/zinc/92/89/05/563928905.db2.gz YTUQQIBFPVNJMX-UHFFFAOYSA-N 0 0 317.345 3.509 50 0 DHAARN CCOCc1ccccc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000055340294 563928922 /nfs/dbraw/zinc/92/89/22/563928922.db2.gz OXAWQPOUASFRLE-GOSISDBHSA-N 0 0 324.380 3.679 50 0 DHAARN Cc1cc(CN(Cc2cc(C)no2)c2ccc3c(c2)CCC3)on1 ZINC000078605042 563929635 /nfs/dbraw/zinc/92/96/35/563929635.db2.gz JIDWCKDPWDRYIK-UHFFFAOYSA-N 0 0 323.396 3.975 50 0 DHAARN c1ccc2c(c1)nc(NCc1cncnc1)n2C1CCCCC1 ZINC000124026460 563929938 /nfs/dbraw/zinc/92/99/38/563929938.db2.gz SEDZGDODMNWAHO-UHFFFAOYSA-N 0 0 307.401 3.944 50 0 DHAARN COc1cccc(NC(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1 ZINC000078988682 563930068 /nfs/dbraw/zinc/93/00/68/563930068.db2.gz RJMNIPXKXSWURO-UHFFFAOYSA-N 0 0 324.340 3.698 50 0 DHAARN Cn1c2ccccc2nc1NC(=O)Nc1ccccc1Cl ZINC000027923853 563930079 /nfs/dbraw/zinc/93/00/79/563930079.db2.gz NOFMBQDHIIQTMR-UHFFFAOYSA-N 0 0 300.749 3.871 50 0 in-vitro DHAARN O=c1ccn(CCOc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000078991267 563930168 /nfs/dbraw/zinc/93/01/68/563930168.db2.gz ATEAGXJKKBPXHF-UHFFFAOYSA-N 0 0 318.587 3.888 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)O[C@H](C1CC1)C(F)(F)F ZINC000079063118 563930207 /nfs/dbraw/zinc/93/02/07/563930207.db2.gz CTTMXOPLPBIDKP-OAHLLOKOSA-N 0 0 311.303 3.985 50 0 DHAARN CCOc1cc(CNc2cc(CC)nn2C)cc(Cl)c1OC ZINC000079073397 563930213 /nfs/dbraw/zinc/93/02/13/563930213.db2.gz ORBMZECHAVSHOI-UHFFFAOYSA-N 0 0 323.824 3.655 50 0 DHAARN CC(C)c1nnc(C[S@@](=O)c2ccc3ccccc3c2)o1 ZINC000079105054 563930338 /nfs/dbraw/zinc/93/03/38/563930338.db2.gz KFPGHCBHVXTHAN-NRFANRHFSA-N 0 0 300.383 3.654 50 0 DHAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cnc2ccccn12 ZINC000079110261 563930354 /nfs/dbraw/zinc/93/03/54/563930354.db2.gz YDHMWBXIAHWZES-UHFFFAOYSA-N 0 0 319.817 3.712 50 0 DHAARN COc1ccc(C=O)cc1OCc1cc(Cl)nc(Cl)c1 ZINC000079110492 563930361 /nfs/dbraw/zinc/93/03/61/563930361.db2.gz YJDHEWLBDQJZGR-UHFFFAOYSA-N 0 0 312.152 3.789 50 0 DHAARN CCC[C@@H](C)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277178785 563930421 /nfs/dbraw/zinc/93/04/21/563930421.db2.gz SAFJOYWCYINISE-CQSZACIVSA-N 0 0 307.409 3.770 50 0 DHAARN COc1ccc(NCc2cn(-c3ccccc3)nc2C)cc1OC ZINC000079753074 563930626 /nfs/dbraw/zinc/93/06/26/563930626.db2.gz TYILEMCTHSUMPH-UHFFFAOYSA-N 0 0 323.396 3.810 50 0 DHAARN COc1ccc(N(C#N)Cc2coc(-c3ccccc3)n2)cc1 ZINC000390833505 563930753 /nfs/dbraw/zinc/93/07/53/563930753.db2.gz ILZMETYWMFJFJC-UHFFFAOYSA-N 0 0 305.337 3.838 50 0 DHAARN O=S(=O)(Cc1ccc(F)cc1)Cc1ccccc1C1CC1 ZINC000390833218 563930779 /nfs/dbraw/zinc/93/07/79/563930779.db2.gz DUHYEYDYOPCQGW-UHFFFAOYSA-N 0 0 304.386 3.818 50 0 DHAARN CCc1c(C(=O)N(C2CC2)C2CCCC2)[nH]c(C)c1C(C)=O ZINC000095364784 563931093 /nfs/dbraw/zinc/93/10/93/563931093.db2.gz GEENJXBUJMANAX-UHFFFAOYSA-N 0 0 302.418 3.635 50 0 DHAARN Cc1nc(C(C)C)c(-c2nn3c(nnc3C3CC3)s2)s1 ZINC000095477075 563931520 /nfs/dbraw/zinc/93/15/20/563931520.db2.gz VTINPAKKJKDMSW-UHFFFAOYSA-N 0 0 305.432 3.619 50 0 DHAARN Cc1nc(S[C@@H](C)C(F)(F)F)n(C[C@@H]2CCCO2)c1C ZINC000095427277 563931534 /nfs/dbraw/zinc/93/15/34/563931534.db2.gz ORAPJXHLFRJGJT-QWRGUYRKSA-N 0 0 308.369 3.722 50 0 DHAARN O=C(N[C@@H](c1nccs1)C1CC1)N1CCC2(C1)CCCCC2 ZINC000080456600 563931573 /nfs/dbraw/zinc/93/15/73/563931573.db2.gz QJNRJUUTBSEEIY-CQSZACIVSA-N 0 0 319.474 3.960 50 0 DHAARN c1nc2ccccc2n1-c1cccc(-n2cnc3ccccc32)n1 ZINC000095830614 563931731 /nfs/dbraw/zinc/93/17/31/563931731.db2.gz LVJJGIRQDSXHEU-UHFFFAOYSA-N 0 0 311.348 3.759 50 0 DHAARN COc1cc(-c2ccnc3c(-c4ccccc4)cnn32)ccc1O ZINC000095477477 563931741 /nfs/dbraw/zinc/93/17/41/563931741.db2.gz WXRWLHIDXSBYRJ-UHFFFAOYSA-N 0 0 317.348 3.778 50 0 DHAARN Cc1cccc2c1N[C@@H](c1ccc3c(c1)CC(C)(C)O3)NC2=O ZINC000095948565 563932118 /nfs/dbraw/zinc/93/21/18/563932118.db2.gz FYPPWCGUUUYAFO-QGZVFWFLSA-N 0 0 308.381 3.563 50 0 DHAARN CCCOc1ccc(Cl)cc1NC(=O)c1cc(C(C)=O)c[nH]1 ZINC000095954314 563932281 /nfs/dbraw/zinc/93/22/81/563932281.db2.gz UMVQDBRNZSFGBE-UHFFFAOYSA-N 0 0 320.776 3.912 50 0 DHAARN CN(CC(F)F)C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000095953702 563932396 /nfs/dbraw/zinc/93/23/96/563932396.db2.gz JHFAQXKYMGPCQZ-UHFFFAOYSA-N 0 0 310.388 3.867 50 0 DHAARN CN(C)C(=O)c1csc(-c2csc(CC(F)(F)F)n2)c1 ZINC000095963480 563932705 /nfs/dbraw/zinc/93/27/05/563932705.db2.gz QXSDFDGVLUVKNK-UHFFFAOYSA-N 0 0 320.361 3.678 50 0 DHAARN OC[C@H]1C=C[C@@H](Nc2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000095963399 563932710 /nfs/dbraw/zinc/93/27/10/563932710.db2.gz ARTTVHCFUVRHSI-GOEBONIOSA-N 0 0 317.392 3.646 50 0 DHAARN CSCc1cc(NC(=O)NCc2ccon2)ccc1Cl ZINC000095963205 563932723 /nfs/dbraw/zinc/93/27/23/563932723.db2.gz FDGNAJLOESLOLG-UHFFFAOYSA-N 0 0 311.794 3.513 50 0 DHAARN COc1ccc([C@H](O)C[NH2+][C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000095967219 563932844 /nfs/dbraw/zinc/93/28/44/563932844.db2.gz KYCWPILOBLKWQK-DLBZAZTESA-N 0 0 315.413 3.625 50 0 DHAARN COc1ccc([C@H](O)C[NH2+][C@@H]2CC(C)(C)Cc3occc32)cc1 ZINC000095967218 563932872 /nfs/dbraw/zinc/93/28/72/563932872.db2.gz KYCWPILOBLKWQK-IAGOWNOFSA-N 0 0 315.413 3.625 50 0 DHAARN COc1ccc([C@@H](O)C[NH2+][C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000095967217 563932898 /nfs/dbraw/zinc/93/28/98/563932898.db2.gz KYCWPILOBLKWQK-IRXDYDNUSA-N 0 0 315.413 3.625 50 0 DHAARN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc2ccccc2o1 ZINC000095969206 563933500 /nfs/dbraw/zinc/93/35/00/563933500.db2.gz HBVKEFWHACKJDU-JSGCOSHPSA-N 0 0 310.401 3.772 50 0 DHAARN CC(C)n1ncc(C(=O)N[C@H](C)C(C)(C)C)c1C(F)(F)F ZINC000095978692 563933625 /nfs/dbraw/zinc/93/36/25/563933625.db2.gz VKNMLODYCUZWTN-SECBINFHSA-N 0 0 305.344 3.647 50 0 DHAARN COc1cc(C(=O)OC2(C3CC3)CC2)sc1Br ZINC000095976218 563933762 /nfs/dbraw/zinc/93/37/62/563933762.db2.gz IBOLXNGOZXSOAR-UHFFFAOYSA-N 0 0 317.204 3.619 50 0 DHAARN C[C@H]1OCC[C@@H]1SCCOc1ccccc1Br ZINC000095982659 563933941 /nfs/dbraw/zinc/93/39/41/563933941.db2.gz HBFXBCXHXUIOFG-MFKMUULPSA-N 0 0 317.248 3.739 50 0 DHAARN c1ccc(Cc2noc(-c3ccnc(C4CCCC4)n3)n2)cc1 ZINC000095980010 563933949 /nfs/dbraw/zinc/93/39/49/563933949.db2.gz GYOXGWVZVBWGFI-UHFFFAOYSA-N 0 0 306.369 3.775 50 0 DHAARN CCc1sc([C@H](C)NC(=O)[C@@H](O)c2ccccc2)cc1C ZINC000095979628 563934006 /nfs/dbraw/zinc/93/40/06/563934006.db2.gz VBSVNMCWFKPTKH-LRDDRELGSA-N 0 0 303.427 3.530 50 0 DHAARN CC[C@@H](NCc1ncccc1C(F)(F)F)c1nccs1 ZINC000095988334 563934242 /nfs/dbraw/zinc/93/42/42/563934242.db2.gz SRLSAXZJLRMEBR-SNVBAGLBSA-N 0 0 301.337 3.798 50 0 DHAARN Cc1cc(F)ccc1C(=O)N(Cc1ccccn1)c1ccncc1 ZINC000095996670 563934333 /nfs/dbraw/zinc/93/43/33/563934333.db2.gz ZSGNCQHXUCMFPU-UHFFFAOYSA-N 0 0 321.355 3.771 50 0 DHAARN C[C@H](CCc1ccco1)Nc1ccc(N2CCOC2=O)cc1 ZINC000095990973 563934342 /nfs/dbraw/zinc/93/43/42/563934342.db2.gz QHKLTMQFJSHJLR-CYBMUJFWSA-N 0 0 300.358 3.669 50 0 DHAARN COc1ccc2ccccc2c1-c1cc(Cn2ccnc2)on1 ZINC000095993801 563934427 /nfs/dbraw/zinc/93/44/27/563934427.db2.gz GFJIXRBYZIHOPD-UHFFFAOYSA-N 0 0 305.337 3.748 50 0 DHAARN CN(Cc1cccnc1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000095995187 563934447 /nfs/dbraw/zinc/93/44/47/563934447.db2.gz VCMRYUWELCYTNN-LBPRGKRZSA-N 0 0 317.355 3.590 50 0 DHAARN C[C@H](CSC(C)(C)C)Nc1cccc(-c2nncn2C)c1 ZINC000095990909 563934450 /nfs/dbraw/zinc/93/44/50/563934450.db2.gz PWJCIPJTAVNPNP-GFCCVEGCSA-N 0 0 304.463 3.814 50 0 DHAARN Brc1cncc(N2CCC[C@H](c3nccs3)C2)c1 ZINC000095994692 563934475 /nfs/dbraw/zinc/93/44/75/563934475.db2.gz MLZZSTZXHQOEOE-JTQLQIEISA-N 0 0 324.247 3.685 50 0 DHAARN Cc1noc(-c2ccc(NC(=O)C3CC=CC3)c(Cl)c2)n1 ZINC000096011687 563934837 /nfs/dbraw/zinc/93/48/37/563934837.db2.gz WMGDMGFOSOARAP-UHFFFAOYSA-N 0 0 303.749 3.603 50 0 DHAARN Cc1ccc(CS(=O)(=O)N(Cc2ccsc2)C2CC2)cc1 ZINC000096025737 563935175 /nfs/dbraw/zinc/93/51/75/563935175.db2.gz ODBBHCGJVPPERH-UHFFFAOYSA-N 0 0 321.467 3.551 50 0 DHAARN CCc1nn(C)c2c1C(c1ccc(Cl)cc1)=NCCS2 ZINC000096028180 563935310 /nfs/dbraw/zinc/93/53/10/563935310.db2.gz KCAPIYCPKGEGJY-UHFFFAOYSA-N 0 0 305.834 3.579 50 0 DHAARN CO[C@@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1C ZINC000096105189 563935504 /nfs/dbraw/zinc/93/55/04/563935504.db2.gz ZGMFFEZONIXYIC-HNNXBMFYSA-N 0 0 320.339 3.782 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000096125647 563935634 /nfs/dbraw/zinc/93/56/34/563935634.db2.gz KAXHURZYWYUPKL-SNVBAGLBSA-N 0 0 307.752 3.979 50 0 DHAARN CO[C@H]1CCN(c2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000096122318 563935636 /nfs/dbraw/zinc/93/56/36/563935636.db2.gz QQODCLOZURNWND-KRWDZBQOSA-N 0 0 311.385 3.556 50 0 DHAARN 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AJESGJIWNHDOMN-UHFFFAOYSA-N 0 0 310.378 3.709 50 0 DHAARN COc1ccccc1C(=O)OCC(=O)c1c(C)cc(C)cc1C ZINC000003321094 563943556 /nfs/dbraw/zinc/94/35/56/563943556.db2.gz LKTYKMFVVPYXGW-UHFFFAOYSA-N 0 0 312.365 3.660 50 0 DHAARN C[S@](=O)Cc1cc(NC2Cc3ccccc3C2)ccc1Cl ZINC000132991572 563943734 /nfs/dbraw/zinc/94/37/34/563943734.db2.gz HKHVKCXOOYJCFR-OAQYLSRUSA-N 0 0 319.857 3.798 50 0 DHAARN C[C@H](NC(=O)NC1CCCC1)c1ccc(Br)cc1 ZINC000030981125 563944048 /nfs/dbraw/zinc/94/40/48/563944048.db2.gz JPOYGAAVJXSOIG-JTQLQIEISA-N 0 0 311.223 3.752 50 0 DHAARN OCCn1nc(C2CC2)nc1-c1cccc(-c2cccc(F)c2)c1 ZINC000670446657 563944221 /nfs/dbraw/zinc/94/42/21/563944221.db2.gz OBSMYRJIXOJRNW-UHFFFAOYSA-N 0 0 323.371 3.621 50 0 DHAARN Cc1oc(C)c(C(=O)NCc2nc3ccccc3s2)c1C ZINC000031099105 563944283 /nfs/dbraw/zinc/94/42/83/563944283.db2.gz YSHZJQNAMKUGSR-UHFFFAOYSA-N 0 0 300.383 3.745 50 0 DHAARN Cc1c([C@H](C)NC(=O)Nc2cccc3ccccc32)cnn1C ZINC000031662246 563944566 /nfs/dbraw/zinc/94/45/66/563944566.db2.gz GAIGTEAHRDCCOW-LBPRGKRZSA-N 0 0 308.385 3.764 50 0 DHAARN Clc1ccsc1CN1CCC(Oc2ccncc2)CC1 ZINC000670453168 563944588 /nfs/dbraw/zinc/94/45/88/563944588.db2.gz ZRNLNUMJZIVTDU-UHFFFAOYSA-N 0 0 308.834 3.840 50 0 DHAARN CCOC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1 ZINC000058620616 563944595 /nfs/dbraw/zinc/94/45/95/563944595.db2.gz FJVWGQZSQPPFBJ-UHFFFAOYSA-N 0 0 324.424 3.717 50 0 DHAARN C[C@@H](NC(=O)[C@@H](C)OCC(F)(F)F)c1cc2ccccc2o1 ZINC000031705827 563944733 /nfs/dbraw/zinc/94/47/33/563944733.db2.gz QESXKBVIOLIDSQ-NXEZZACHSA-N 0 0 315.291 3.577 50 0 DHAARN O=C(Nc1cccc(Cn2cccn2)c1)c1ccccc1Cl ZINC000031968869 563945096 /nfs/dbraw/zinc/94/50/96/563945096.db2.gz GURNYKLEBPMLPM-UHFFFAOYSA-N 0 0 311.772 3.837 50 0 DHAARN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C ZINC000004083874 563945127 /nfs/dbraw/zinc/94/51/27/563945127.db2.gz CMRJPMODSSEAPL-ZRNYENFQSA-N 0 0 312.409 3.900 50 0 biogenic DHAARN COCCSc1ncnc2c1sc1nc(C)cc(C)c12 ZINC000032072481 563945131 /nfs/dbraw/zinc/94/51/31/563945131.db2.gz YYZMECOMBUMLDI-UHFFFAOYSA-N 0 0 305.428 3.595 50 0 DHAARN CNC(=O)CCCC(=O)Nc1cccc(-c2sccc2C)c1 ZINC000133971927 563945150 /nfs/dbraw/zinc/94/51/50/563945150.db2.gz PRPCBDMKHPTZLF-UHFFFAOYSA-N 0 0 316.426 3.578 50 0 DHAARN CCCCSCC(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000032024861 563945225 /nfs/dbraw/zinc/94/52/25/563945225.db2.gz LVPKFZOIVKAVQJ-UHFFFAOYSA-N 0 0 315.442 3.924 50 0 DHAARN O=C(Cc1ccccc1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032074588 563945302 /nfs/dbraw/zinc/94/53/02/563945302.db2.gz REOZZCYTPPIKAG-UHFFFAOYSA-N 0 0 304.393 3.902 50 0 DHAARN O=C(Cn1ccc2c1cccc2Cl)Nc1ccc(O)cc1 ZINC000032087814 563945373 /nfs/dbraw/zinc/94/53/73/563945373.db2.gz KMQJDWLZQHLQEJ-UHFFFAOYSA-N 0 0 300.745 3.639 50 0 DHAARN Cc1cccc(-c2nc(CSc3nnc(C(C)C)[nH]3)no2)c1 ZINC000032326171 563945550 /nfs/dbraw/zinc/94/55/50/563945550.db2.gz ISVHZGPTTVEWNM-UHFFFAOYSA-N 0 0 315.402 3.579 50 0 DHAARN O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007975324 563945798 /nfs/dbraw/zinc/94/57/98/563945798.db2.gz IPZRYQOZIOVRHZ-UHFFFAOYSA-N 0 0 323.396 3.569 50 0 DHAARN COc1ccc(C(=O)COc2ccc(F)c(Cl)c2)cc1OC ZINC000007987680 563945905 /nfs/dbraw/zinc/94/59/05/563945905.db2.gz CVFYQQFABUITDU-UHFFFAOYSA-N 0 0 324.735 3.758 50 0 DHAARN FC(F)(F)c1nc2ccccc2c(NCCc2ccccn2)n1 ZINC000007989569 563946072 /nfs/dbraw/zinc/94/60/72/563946072.db2.gz QCXQKXGDOKQNSC-UHFFFAOYSA-N 0 0 318.302 3.698 50 0 DHAARN Cc1cc(=O)oc2cc(OCc3cc(-c4ccco4)on3)ccc12 ZINC000008006678 563946169 /nfs/dbraw/zinc/94/61/69/563946169.db2.gz SJWATSSEFPYVJY-UHFFFAOYSA-N 0 0 323.304 3.928 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1csc(-c2ccccc2)n1 ZINC000008060238 563946398 /nfs/dbraw/zinc/94/63/98/563946398.db2.gz DRWBVRFXVLWSGW-UHFFFAOYSA-N 0 0 324.361 3.791 50 0 DHAARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)c1ccc[nH]1 ZINC000008072130 563946463 /nfs/dbraw/zinc/94/64/63/563946463.db2.gz PHSRXUXWHNAJBK-UHFFFAOYSA-N 0 0 322.151 3.526 50 0 DHAARN Cc1nccn1[C@@H](C)CC(=O)NCc1ccc2sccc2c1 ZINC000670469147 563946794 /nfs/dbraw/zinc/94/67/94/563946794.db2.gz CDXKNXNOQVSTEX-LBPRGKRZSA-N 0 0 313.426 3.674 50 0 DHAARN CC(C)[C@H](NC(=O)c1ccsc1)c1ccc2c(c1)OCCO2 ZINC000008124994 563946856 /nfs/dbraw/zinc/94/68/56/563946856.db2.gz IMLRRPRKRQLYPI-INIZCTEOSA-N 0 0 317.410 3.646 50 0 DHAARN CCC(NCc1ccc(C)cc1)=C1N=C(c2ccccc2)OC1=O ZINC000038188676 563946899 /nfs/dbraw/zinc/94/68/99/563946899.db2.gz DTUYHWIPUDQZCO-ZCXUNETKSA-N 0 0 320.392 3.710 50 0 DHAARN O=C(COc1ccc2ccccc2c1)Nc1nc2c(s1)CCC2 ZINC000008184595 563946999 /nfs/dbraw/zinc/94/69/99/563946999.db2.gz RHVVBHYGDZVAHB-UHFFFAOYSA-N 0 0 324.405 3.803 50 0 DHAARN O=C1CCCN1c1ccc(-c2csc(-c3ccccn3)n2)cc1 ZINC000008297229 563947544 /nfs/dbraw/zinc/94/75/44/563947544.db2.gz SKOWMUFIIZDEGJ-UHFFFAOYSA-N 0 0 321.405 3.999 50 0 DHAARN Cc1ccn2cc(C(=O)Nc3ccc(Cl)cc3F)nc2c1 ZINC000008281333 563947591 /nfs/dbraw/zinc/94/75/91/563947591.db2.gz LIIIYPOJVOLLSF-UHFFFAOYSA-N 0 0 303.724 3.688 50 0 DHAARN Cc1ccc(NC(=O)CN2CCC[C@H]2c2cccs2)cc1 ZINC000008320401 563947873 /nfs/dbraw/zinc/94/78/73/563947873.db2.gz CWUDKBXWQQZFEA-HNNXBMFYSA-N 0 0 300.427 3.832 50 0 DHAARN C[C@@H](c1ccc(F)cc1)N1C(=O)NC2(CCCCCC2)C1=O ZINC000008328147 563947927 /nfs/dbraw/zinc/94/79/27/563947927.db2.gz RPQOZACJPYWHER-LBPRGKRZSA-N 0 0 304.365 3.532 50 0 DHAARN CCN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 ZINC000066921928 563948062 /nfs/dbraw/zinc/94/80/62/563948062.db2.gz HZBSHUROFFAJKQ-GOSISDBHSA-N 0 0 309.413 3.515 50 0 DHAARN COc1ccc(NC(=O)c2ccc3ncsc3c2)c(OC)c1 ZINC000008344663 563948067 /nfs/dbraw/zinc/94/80/67/563948067.db2.gz HODZKIHFRWTTJL-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN O=C(CCOc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000008346081 563948109 /nfs/dbraw/zinc/94/81/09/563948109.db2.gz ASUARCGIAKTYQZ-MRXNPFEDSA-N 0 0 313.422 3.809 50 0 DHAARN O=C(Nc1cccc2ncccc21)c1cc(-c2cccs2)[nH]n1 ZINC000038488645 563948191 /nfs/dbraw/zinc/94/81/91/563948191.db2.gz ISKWUDNTGGMLIZ-UHFFFAOYSA-N 0 0 320.377 3.939 50 0 DHAARN O=C(Nc1cccc(OC(F)F)c1)[C@H]1CC(=O)c2ccccc21 ZINC000038488481 563948313 /nfs/dbraw/zinc/94/83/13/563948313.db2.gz PUBLPMVPJNFSHR-AWEZNQCLSA-N 0 0 317.291 3.597 50 0 DHAARN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067052783 563948389 /nfs/dbraw/zinc/94/83/89/563948389.db2.gz REIQLSUTOZDVPO-ZWKOTPCHSA-N 0 0 321.355 3.754 50 0 DHAARN CN(C)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000008394643 563948403 /nfs/dbraw/zinc/94/84/03/563948403.db2.gz KSODTLGAOULQGJ-UHFFFAOYSA-N 0 0 307.397 3.805 50 0 DHAARN O=C(Nc1nc(-c2cccnc2)cs1)Nc1ccccc1F ZINC000008429375 563948546 /nfs/dbraw/zinc/94/85/46/563948546.db2.gz APNOJMLWPVKXDT-UHFFFAOYSA-N 0 0 314.345 3.988 50 0 DHAARN Cc1cccc(OCCSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000008510178 563948864 /nfs/dbraw/zinc/94/88/64/563948864.db2.gz XUGXBIIQMMNIRF-UHFFFAOYSA-N 0 0 311.410 3.951 50 0 DHAARN C[C@H](NC(=O)c1snc(-c2ccccc2)c1N)c1ccccc1 ZINC000067334747 563948998 /nfs/dbraw/zinc/94/89/98/563948998.db2.gz FTNHWJRPEBTUTK-LBPRGKRZSA-N 0 0 323.421 3.883 50 0 DHAARN Cn1c(SCc2nc3ccccc3o2)nnc1-c1ccccc1 ZINC000008541345 563949101 /nfs/dbraw/zinc/94/91/01/563949101.db2.gz DOFZBWCQIPPXQB-UHFFFAOYSA-N 0 0 322.393 3.916 50 0 DHAARN CCCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000008584615 563949144 /nfs/dbraw/zinc/94/91/44/563949144.db2.gz MTJYHXRFKVMGRO-UHFFFAOYSA-N 0 0 320.805 3.677 50 0 DHAARN CC(C)Oc1ccc(CNC(=O)C2=Cc3ccccc3OC2)cc1 ZINC000008610595 563949455 /nfs/dbraw/zinc/94/94/55/563949455.db2.gz BBVSBDSUCMPIJP-UHFFFAOYSA-N 0 0 323.392 3.566 50 0 DHAARN CCCC(=O)N1c2ncnn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000008673584 563949620 /nfs/dbraw/zinc/94/96/20/563949620.db2.gz HPEYWOZDRLMEFP-CABCVRRESA-N 0 0 316.449 3.643 50 0 biogenic DHAARN COc1ccc(C2(NC(=O)CCc3ccccn3)CCCC2)cc1 ZINC000067727481 563949752 /nfs/dbraw/zinc/94/97/52/563949752.db2.gz YOWISZUPZMBQJB-UHFFFAOYSA-N 0 0 324.424 3.609 50 0 DHAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)C1CCCC1 ZINC000008755933 563950542 /nfs/dbraw/zinc/95/05/42/563950542.db2.gz COAPQGJRVAGHNW-UHFFFAOYSA-N 0 0 306.793 3.596 50 0 DHAARN C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000008752004 563950556 /nfs/dbraw/zinc/95/05/56/563950556.db2.gz SXJPWQNAJNDGIB-LBPRGKRZSA-N 0 0 309.344 3.707 50 0 DHAARN CCOC(=O)Nc1cccc(C(=O)Nc2cc(F)ccc2C)c1 ZINC000008751715 563950669 /nfs/dbraw/zinc/95/06/69/563950669.db2.gz DNMRYMQRIJSEFD-UHFFFAOYSA-N 0 0 316.332 3.955 50 0 DHAARN COCc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000008774597 563950751 /nfs/dbraw/zinc/95/07/51/563950751.db2.gz WEAMTCCATJFHMS-UHFFFAOYSA-N 0 0 316.357 3.834 50 0 DHAARN CCn1c2ccccc2c2cc(NC(=O)C3=COCCO3)ccc21 ZINC000008776629 563950778 /nfs/dbraw/zinc/95/07/78/563950778.db2.gz LPTNEXBOZDJYTP-UHFFFAOYSA-N 0 0 322.364 3.641 50 0 DHAARN COc1cc(OC)c(NC(=O)c2ccc(Cl)o2)cc1Cl ZINC000008849094 563950952 /nfs/dbraw/zinc/95/09/52/563950952.db2.gz UZNCXWGUOOSFIA-UHFFFAOYSA-N 0 0 316.140 3.856 50 0 DHAARN CCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1cccs1 ZINC000068174464 563951074 /nfs/dbraw/zinc/95/10/74/563951074.db2.gz KRLHDGHSGNKXBC-GFCCVEGCSA-N 0 0 313.426 3.538 50 0 DHAARN COc1ccccc1S(=O)(=O)N(c1ccc(C)cc1)C(C)C ZINC000068919779 563951309 /nfs/dbraw/zinc/95/13/09/563951309.db2.gz UGCYEKUGTOMGFY-UHFFFAOYSA-N 0 0 319.426 3.607 50 0 DHAARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccn1 ZINC000008881659 563951343 /nfs/dbraw/zinc/95/13/43/563951343.db2.gz VOZPWEOFKYKBIF-UHFFFAOYSA-N 0 0 307.737 3.736 50 0 DHAARN CCOC(=O)Nc1cccc(C(=O)NC2CCCCCC2)c1 ZINC000008923351 563951468 /nfs/dbraw/zinc/95/14/68/563951468.db2.gz RZWGWDYQQYAWAO-UHFFFAOYSA-N 0 0 304.390 3.708 50 0 DHAARN COc1ccc(C(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 ZINC000244914771 563951837 /nfs/dbraw/zinc/95/18/37/563951837.db2.gz BDLXIITXLGKSAF-CYBMUJFWSA-N 0 0 309.365 3.802 50 0 DHAARN CC[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C)on1 ZINC000009049760 563952038 /nfs/dbraw/zinc/95/20/38/563952038.db2.gz SNGRNBBZGAPWCA-GFCCVEGCSA-N 0 0 311.744 3.605 50 0 DHAARN C[C@H](SC[C@@H](O)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000069290623 563952254 /nfs/dbraw/zinc/95/22/54/563952254.db2.gz QSQICFOPRXNGHQ-WCQYABFASA-N 0 0 306.431 3.895 50 0 DHAARN CCCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21 ZINC000009107158 563952280 /nfs/dbraw/zinc/95/22/80/563952280.db2.gz CMNBJYFFFXKQGR-UHFFFAOYSA-N 0 0 314.410 3.690 50 0 DHAARN Cc1nc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cs1 ZINC000069354315 563952299 /nfs/dbraw/zinc/95/22/99/563952299.db2.gz KLCUOZYJLKVPKO-OAHLLOKOSA-N 0 0 301.415 3.604 50 0 DHAARN Cc1cc(C)nc(N=NC(C)c2cccc(Br)c2)n1 ZINC000245285698 563952469 /nfs/dbraw/zinc/95/24/69/563952469.db2.gz YNDJQSYDJRLXFF-UHFFFAOYSA-N 0 0 319.206 3.692 50 0 DHAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(C)c2C(=O)[O-])[C@H]1C ZINC000245310424 563952516 /nfs/dbraw/zinc/95/25/16/563952516.db2.gz JGQQTDRAFICABD-WWGRRREGSA-N 0 0 314.429 3.791 50 0 DHAARN CCc1nc(CN(C)C(=O)[C@H]2C[C@H]2c2cccc(C)c2)cs1 ZINC000069366919 563952529 /nfs/dbraw/zinc/95/25/29/563952529.db2.gz MIKMPBAFGQYEMH-HOTGVXAUSA-N 0 0 314.454 3.776 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2c3ccnn3[C@H](C)C[C@H]2C)s1 ZINC000245289835 563952540 /nfs/dbraw/zinc/95/25/40/563952540.db2.gz FLFGIWXPCNBYRE-OXHZDVMGSA-N 0 0 315.442 3.743 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2cc(F)cc(N3CCCC3)c2)s1 ZINC000069436185 563952794 /nfs/dbraw/zinc/95/27/94/563952794.db2.gz LCRAKNRFWHBJQB-UHFFFAOYSA-N 0 0 319.405 3.752 50 0 DHAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2cccc(O)c2)s1 ZINC000069462177 563952968 /nfs/dbraw/zinc/95/29/68/563952968.db2.gz GBZQOENPULBXHF-HUUCEWRRSA-N 0 0 301.411 3.524 50 0 DHAARN Cc1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2cccc(O)c2)s1 ZINC000069462185 563953081 /nfs/dbraw/zinc/95/30/81/563953081.db2.gz GBZQOENPULBXHF-LSDHHAIUSA-N 0 0 301.411 3.524 50 0 DHAARN COCc1nc(C(=O)N(c2cc(C)ccc2C)C(C)C)cs1 ZINC000069532279 563953330 /nfs/dbraw/zinc/95/33/30/563953330.db2.gz LFCNCDWTQBQDKJ-UHFFFAOYSA-N 0 0 318.442 3.962 50 0 DHAARN Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccccc3)no2)c1 ZINC000009135082 563953342 /nfs/dbraw/zinc/95/33/42/563953342.db2.gz RYBNLPMZKOOUGM-UHFFFAOYSA-N 0 0 322.364 3.976 50 0 DHAARN Cc1ccccc1CC(=O)NCCc1coc(-c2ccccc2)n1 ZINC000069538788 563953347 /nfs/dbraw/zinc/95/33/47/563953347.db2.gz WIKSNLNLYUEIKN-UHFFFAOYSA-N 0 0 320.392 3.551 50 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50 0 DHAARN C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000000573738 180825023 /nfs/dbraw/zinc/82/50/23/180825023.db2.gz HPAMUBGENFZWTL-CQSZACIVSA-N 0 0 324.424 3.635 50 0 DHAARN O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc2ccccc2c1 ZINC000000582527 180826674 /nfs/dbraw/zinc/82/66/74/180826674.db2.gz TUTDLHMULKLQHE-UHFFFAOYSA-N 0 0 319.332 3.919 50 0 DHAARN CC(C)C[C@H]1CCCCCN1C(=O)c1cc(C(C)C)nn1C ZINC000173460154 198216289 /nfs/dbraw/zinc/21/62/89/198216289.db2.gz YXONIMCBQGRWIZ-OAHLLOKOSA-N 0 0 305.466 3.974 50 0 DHAARN COc1ccc(NC(=O)Nc2ccc(OC)cc2OC)c(C)c1 ZINC000000611400 180828524 /nfs/dbraw/zinc/82/85/24/180828524.db2.gz UVBIRRIEPPJXOQ-UHFFFAOYSA-N 0 0 316.357 3.665 50 0 DHAARN Cc1c(C(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2 ZINC000000613379 180828791 /nfs/dbraw/zinc/82/87/91/180828791.db2.gz CISKEPHUMGOMPO-UHFFFAOYSA-N 0 0 323.392 3.946 50 0 DHAARN O=C(NCc1cccs1)c1cc(-c2ccccc2Cl)on1 ZINC000000815169 180834608 /nfs/dbraw/zinc/83/46/08/180834608.db2.gz UYEGKXOLBILBNI-UHFFFAOYSA-N 0 0 318.785 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COc1ccc([C@@H]2CN=N[C@@]23CSc2ccccc2C3=O)cc1 ZINC000004343138 181100637 /nfs/dbraw/zinc/10/06/37/181100637.db2.gz ISWBTKVAZFJCLA-YJBOKZPZSA-N 0 0 324.405 3.972 50 0 DHAARN CCOc1ccccc1NC(=O)NCCSCc1ccco1 ZINC000004364739 181102371 /nfs/dbraw/zinc/10/23/71/181102371.db2.gz OBPMHYVWBRRARL-UHFFFAOYSA-N 0 0 320.414 3.733 50 0 DHAARN Cc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 ZINC000004361096 181102730 /nfs/dbraw/zinc/10/27/30/181102730.db2.gz KDIZYCUTBQXPKK-UHFFFAOYSA-N 0 0 306.394 3.612 50 0 DHAARN O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)c1cccs1 ZINC000004417987 181108202 /nfs/dbraw/zinc/10/82/02/181108202.db2.gz BHOKDXXESMHHFM-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN COC(=O)c1cc(Cl)ccc1NC(=O)CCc1cccs1 ZINC000004540251 181121702 /nfs/dbraw/zinc/12/17/02/181121702.db2.gz BZAWWNICYXLSDD-UHFFFAOYSA-N 0 0 323.801 3.759 50 0 DHAARN Fc1ccccc1/C=C/c1nn2c(nnc2-c2ccncc2)s1 ZINC000004540221 181121791 /nfs/dbraw/zinc/12/17/91/181121791.db2.gz OJDAARAFPCJYPE-AATRIKPKSA-N 0 0 323.356 3.557 50 0 DHAARN COc1cccc(CCC(=O)NCc2ccccc2)c1Cl ZINC000004542841 181122578 /nfs/dbraw/zinc/12/25/78/181122578.db2.gz WIOMMZWJDUEWKF-UHFFFAOYSA-N 0 0 303.789 3.598 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000004454890 181110960 /nfs/dbraw/zinc/11/09/60/181110960.db2.gz RVPUKAJJFMLWGQ-CQSZACIVSA-N 0 0 316.426 3.818 50 0 DHAARN CCCOc1ccc(CN2c3ccc(C)cc3C(=O)C2=O)cc1 ZINC000004475990 181112091 /nfs/dbraw/zinc/11/20/91/181112091.db2.gz VKPHDMBIGJWHND-UHFFFAOYSA-N 0 0 309.365 3.513 50 0 DHAARN C/C=C/c1ccc(OCCCn2nnc3ccccc32)c(OC)c1 ZINC000004487655 181113540 /nfs/dbraw/zinc/11/35/40/181113540.db2.gz HSXBNHRZDLYDFC-XVNBXDOJSA-N 0 0 323.396 3.942 50 0 DHAARN COC(=O)c1ccsc1NC(=O)CSc1ccc(C)cc1 ZINC000004496481 181115261 /nfs/dbraw/zinc/11/52/61/181115261.db2.gz FTUXJKMBTMNCCD-UHFFFAOYSA-N 0 0 321.423 3.574 50 0 DHAARN CC[C@@H](c1nn2c(nnc2-c2cccnc2)s1)c1ccccc1 ZINC000004511755 181117664 /nfs/dbraw/zinc/11/76/64/181117664.db2.gz ZIQXNLKXNAOZRK-CQSZACIVSA-N 0 0 321.409 3.790 50 0 DHAARN CC[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000004520014 181118817 /nfs/dbraw/zinc/11/88/17/181118817.db2.gz UXUJVCMHDWDUDJ-LLVKDONJSA-N 0 0 302.399 3.985 50 0 DHAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccn2C)N3)C1 ZINC000004571588 181125876 /nfs/dbraw/zinc/12/58/76/181125876.db2.gz QXCAKQZLDRSSMA-YMTOWFKASA-N 0 0 301.415 3.640 50 0 DHAARN COC(=O)c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004611001 181129342 /nfs/dbraw/zinc/12/93/42/181129342.db2.gz PWVUKRGYIDIVAO-UHFFFAOYSA-N 0 0 314.381 3.595 50 0 DHAARN CCCCOC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc32)cc1 ZINC000004663855 181133496 /nfs/dbraw/zinc/13/34/96/181133496.db2.gz PQZFAIWYJDDUDQ-UHFFFAOYSA-N 0 0 322.364 3.547 50 0 DHAARN C[C@@]1(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1(Cl)Cl ZINC000004652629 181132067 /nfs/dbraw/zinc/13/20/67/181132067.db2.gz ZFSVAIQWVQYONB-HWMFUMESSA-N 0 0 302.245 3.655 50 0 DHAARN C[S@@](=O)c1ccccc1COC(=O)Nc1cccc(Cl)c1 ZINC000004650742 181132274 /nfs/dbraw/zinc/13/22/74/181132274.db2.gz LILSRMMRWNCGNM-NRFANRHFSA-N 0 0 323.801 3.826 50 0 DHAARN CCC(CC)C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000004694984 181138034 /nfs/dbraw/zinc/13/80/34/181138034.db2.gz XVSSPOTZCSZCQR-UHFFFAOYSA-N 0 0 303.431 3.698 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc2C1 ZINC000004696149 181138384 /nfs/dbraw/zinc/13/83/84/181138384.db2.gz GHQSHPSEXIYIMO-UHFFFAOYSA-N 0 0 318.376 3.849 50 0 DHAARN O=C1S/C(=C\c2ccncc2)C(=O)N1c1cccc(Cl)c1 ZINC000004677801 181135337 /nfs/dbraw/zinc/13/53/37/181135337.db2.gz OFDHQUXTCMSDGI-JYRVWZFOSA-N 0 0 316.769 3.976 50 0 DHAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000004695723 181137745 /nfs/dbraw/zinc/13/77/45/181137745.db2.gz BUGCFGAQOOVCNW-UHFFFAOYSA-N 0 0 314.360 3.606 50 0 DHAARN CCOc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OC ZINC000004723297 181142574 /nfs/dbraw/zinc/14/25/74/181142574.db2.gz BLSUXCODRWGOPA-UHFFFAOYSA-N 0 0 321.760 3.705 50 0 DHAARN Cc1ccc2c(cc(C(=O)N3CCc4ccccc4C3)n2C)c1 ZINC000004749260 181147590 /nfs/dbraw/zinc/14/75/90/181147590.db2.gz DWRRJGGPWXIPKL-UHFFFAOYSA-N 0 0 304.393 3.685 50 0 DHAARN O=C(C(=S)NCCc1ccccc1)c1c[nH]c2ccccc12 ZINC000004809063 181154425 /nfs/dbraw/zinc/15/44/25/181154425.db2.gz YAARWGXUSISLCK-UHFFFAOYSA-N 0 0 308.406 3.510 50 0 DHAARN C[C@@H](NC=O)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000004810404 181154832 /nfs/dbraw/zinc/15/48/32/181154832.db2.gz UOGBFDGGHHMHRH-GFCCVEGCSA-N 0 0 313.788 3.545 50 0 DHAARN COc1ccc(OCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004820400 181156737 /nfs/dbraw/zinc/15/67/37/181156737.db2.gz NZKCRTAIVPGYTH-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN Cc1ccc2nc(Nc3ccc(C)c(F)c3)c3nncn3c2c1 ZINC000004835051 181159607 /nfs/dbraw/zinc/15/96/07/181159607.db2.gz NTHPKGXQPJQUMK-UHFFFAOYSA-N 0 0 307.332 3.777 50 0 DHAARN O=C(COc1ccc(C2CCCCC2)cc1)NCc1cccnc1 ZINC000004840921 181160627 /nfs/dbraw/zinc/16/06/27/181160627.db2.gz FYDOBKPCZJAYSS-UHFFFAOYSA-N 0 0 324.424 3.825 50 0 DHAARN CSc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 ZINC000004834434 181159527 /nfs/dbraw/zinc/15/95/27/181159527.db2.gz JPKBBKSBFSEVBP-UHFFFAOYSA-N 0 0 300.383 3.619 50 0 DHAARN CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F ZINC000004854246 181163766 /nfs/dbraw/zinc/16/37/66/181163766.db2.gz PBVULLRINDWBNR-INIZCTEOSA-N 0 0 315.392 3.540 50 0 DHAARN Cc1ccc2cccc(OCCCOc3ccccc3CO)c2n1 ZINC000004865917 181165220 /nfs/dbraw/zinc/16/52/20/181165220.db2.gz GYLIODDWNQLVJC-UHFFFAOYSA-N 0 0 323.392 3.883 50 0 DHAARN CCCCCOC(=O)CSc1nnc(-c2ccc(C)cc2)o1 ZINC000004866339 181165750 /nfs/dbraw/zinc/16/57/50/181165750.db2.gz NBHTXMYDWGAAHN-UHFFFAOYSA-N 0 0 320.414 3.871 50 0 DHAARN CCOC(=O)Nc1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000004869269 181166436 /nfs/dbraw/zinc/16/64/36/181166436.db2.gz VPUMXBNDRAWSBF-UHFFFAOYSA-N 0 0 320.295 3.786 50 0 DHAARN CC(C)Cc1nc(CN2c3cccc4cccc(c34)C2=O)no1 ZINC000073529716 191324975 /nfs/dbraw/zinc/32/49/75/191324975.db2.gz LZKPYDVTEDKLHC-UHFFFAOYSA-N 0 0 307.353 3.582 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1cccs1 ZINC000004923388 181173562 /nfs/dbraw/zinc/17/35/62/181173562.db2.gz BLGNYUIODLVIML-UHFFFAOYSA-N 0 0 311.410 3.732 50 0 DHAARN Cc1occc1-c1nnc2sc(CCCc3ccccc3)nn21 ZINC000004938986 181175630 /nfs/dbraw/zinc/17/56/30/181175630.db2.gz MRFWVGGICODKQF-UHFFFAOYSA-N 0 0 324.409 3.930 50 0 DHAARN CCSc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 ZINC000004938634 181175771 /nfs/dbraw/zinc/17/57/71/181175771.db2.gz ZIXYFWXVWUQZEQ-UHFFFAOYSA-N 0 0 312.438 3.917 50 0 biogenic DHAARN CN(C)C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000004951045 181178174 /nfs/dbraw/zinc/17/81/74/181178174.db2.gz DZMUNXXVKJMSQK-UHFFFAOYSA-N 0 0 303.745 3.631 50 0 DHAARN COc1cc2c(cc1OC)CN(Cc1ccc(F)c(F)c1)CC2 ZINC000004951293 181178270 /nfs/dbraw/zinc/17/82/70/181178270.db2.gz PQCXQAXOVXBTBS-UHFFFAOYSA-N 0 0 319.351 3.540 50 0 DHAARN Cc1nc(Cl)cc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000074941204 191392917 /nfs/dbraw/zinc/39/29/17/191392917.db2.gz WHNSUCDCHCPAPB-UHFFFAOYSA-N 0 0 311.813 3.553 50 0 DHAARN CCOc1c(F)cccc1C(=O)N(CC)[C@H](C)c1cccnc1 ZINC000074952604 191395102 /nfs/dbraw/zinc/39/51/02/191395102.db2.gz GLAKFOFRFCVWRJ-CYBMUJFWSA-N 0 0 316.376 3.843 50 0 DHAARN O=C(NCc1cc2ccccc2[nH]1)c1c(F)c(F)cc(F)c1F ZINC000075093429 191416987 /nfs/dbraw/zinc/41/69/87/191416987.db2.gz JVEYCGDTLVPXLY-UHFFFAOYSA-N 0 0 322.261 3.654 50 0 DHAARN COc1ccccc1C(=O)N(CCc1cccs1)C1CC1 ZINC000075154785 191432410 /nfs/dbraw/zinc/43/24/10/191432410.db2.gz BOQQMMOOFNNOCX-UHFFFAOYSA-N 0 0 301.411 3.604 50 0 DHAARN CCc1ncc(C(=O)Nc2ccccc2C(F)(F)F)c(C)n1 ZINC000075351573 191465635 /nfs/dbraw/zinc/46/56/35/191465635.db2.gz RBRKKSACNMIBGG-UHFFFAOYSA-N 0 0 309.291 3.619 50 0 DHAARN O=C1[C@@H]2CCCN2[C@@H](c2ccccc2)N1c1cccc(Cl)c1 ZINC000075402971 191470865 /nfs/dbraw/zinc/47/08/65/191470865.db2.gz NHVRTRGYNRHACY-DLBZAZTESA-N 0 0 312.800 3.850 50 0 DHAARN CC(C)C(=O)N[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000004998167 181187234 /nfs/dbraw/zinc/18/72/34/181187234.db2.gz GWSXJJPHQISQMH-LBPRGKRZSA-N 0 0 315.417 3.867 50 0 DHAARN CC(C)(C)OC(=O)N1CCCN(C(=O)C2CC2)c2ccccc21 ZINC000076023057 191555756 /nfs/dbraw/zinc/55/57/56/191555756.db2.gz YQLTWNONHICVCF-UHFFFAOYSA-N 0 0 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ZINC000011308507 181688428 /nfs/dbraw/zinc/68/84/28/181688428.db2.gz IKEHKGPRNHJYEM-UHFFFAOYSA-N 0 0 316.307 3.566 50 0 DHAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000011309134 181688565 /nfs/dbraw/zinc/68/85/65/181688565.db2.gz MJYBDSGDPIUKHK-KGVSQERTSA-N 0 0 324.355 3.826 50 0 DHAARN CCCCC1CCC(C(=O)O[C@H](C(N)=O)c2ccccc2)CC1 ZINC000011670813 181698554 /nfs/dbraw/zinc/69/85/54/181698554.db2.gz ZATFLXAYFZGMLE-PREGVCBESA-N 0 0 317.429 3.753 50 0 DHAARN CONC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 ZINC000011740020 181702826 /nfs/dbraw/zinc/70/28/26/181702826.db2.gz GXZLZODTBSTTFO-UHFFFAOYSA-N 0 0 306.365 3.810 50 0 DHAARN O[C@H](Cn1c2ccccc2nc1-c1cscn1)c1ccccc1 ZINC000012556586 181776519 /nfs/dbraw/zinc/77/65/19/181776519.db2.gz FIAVCICJGQPUTM-QGZVFWFLSA-N 0 0 321.405 3.893 50 0 DHAARN O=C(CC1CCCC1)N1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000012579826 181779162 /nfs/dbraw/zinc/77/91/62/181779162.db2.gz RFFSQGPYUQWLHK-QGZVFWFLSA-N 0 0 304.409 3.809 50 0 DHAARN Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000012532825 181772268 /nfs/dbraw/zinc/77/22/68/181772268.db2.gz GGUVYIRLJNXEEV-UHFFFAOYSA-N 0 0 323.421 3.773 50 0 DHAARN C[C@H](Nc1nc2ccccc2s1)C(=O)NC1CCCCCC1 ZINC000012757264 181793707 /nfs/dbraw/zinc/79/37/07/181793707.db2.gz UHVGTPZCXONBBF-LBPRGKRZSA-N 0 0 317.458 3.936 50 0 DHAARN C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000012740217 181791177 /nfs/dbraw/zinc/79/11/77/181791177.db2.gz CCCDBTFYNYKDBF-CYBMUJFWSA-N 0 0 302.805 3.943 50 0 DHAARN C[C@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)CCO1 ZINC000012899025 181808454 /nfs/dbraw/zinc/80/84/54/181808454.db2.gz QBGZOUCGRDFLDS-LBPRGKRZSA-N 0 0 311.410 3.583 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC000012822353 181802459 /nfs/dbraw/zinc/80/24/59/181802459.db2.gz TYFQISHVBCNQRA-SFHVURJKSA-N 0 0 323.392 3.922 50 0 DHAARN COc1cccc(C(=O)Nc2ccc([C@@]3(C)CC=NO3)cc2)c1 ZINC000012854884 181803462 /nfs/dbraw/zinc/80/34/62/181803462.db2.gz JCRPEVQPUANURY-GOSISDBHSA-N 0 0 310.353 3.569 50 0 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CC(C)CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000018078282 182091981 /nfs/dbraw/zinc/09/19/81/182091981.db2.gz RQBDRYKBHLOZJY-UHFFFAOYSA-N 0 0 306.406 3.810 50 0 DHAARN CC[C@H](NC(=O)c1cn2ccc(C)cc2n1)c1ccc(OC)cc1 ZINC000018131915 182094779 /nfs/dbraw/zinc/09/47/79/182094779.db2.gz IJWCRSAUQKBNKG-INIZCTEOSA-N 0 0 323.396 3.532 50 0 DHAARN CC[C@@H](CNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 ZINC000018153082 182095019 /nfs/dbraw/zinc/09/50/19/182095019.db2.gz UHCSPJLRAJURET-AWEZNQCLSA-N 0 0 313.397 3.627 50 0 DHAARN COc1ccc(OC)c(-c2ncnc3sc(C)c(C)c32)c1 ZINC000019145426 182106006 /nfs/dbraw/zinc/10/60/06/182106006.db2.gz FCFNDZJKYONPFH-UHFFFAOYSA-N 0 0 300.383 3.992 50 0 DHAARN Clc1cccc(Cn2[nH]cc3nc(-c4nccs4)nc2-3)c1 ZINC000019228004 182108911 /nfs/dbraw/zinc/10/89/11/182108911.db2.gz YGGLRROAAAKNHF-UHFFFAOYSA-N 0 0 315.789 3.585 50 0 DHAARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C1CCCC1 ZINC000019372880 182121018 /nfs/dbraw/zinc/12/10/18/182121018.db2.gz RLKFRMBCFYLWSA-GOSISDBHSA-N 0 0 323.440 3.615 50 0 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WPZORLNZTXBGHQ-ZTFGCOKTSA-N 0 0 323.392 3.874 50 0 DHAARN O=C(C[C@@H](c1cccs1)n1cccc1)NCc1cccs1 ZINC000020997157 182257955 /nfs/dbraw/zinc/25/79/55/182257955.db2.gz ICXQLDBAZKZFCJ-AWEZNQCLSA-N 0 0 316.451 3.907 50 0 DHAARN O=C(C[C@@H](c1cccs1)n1cccc1)NCCc1ccccc1 ZINC000020997115 182258066 /nfs/dbraw/zinc/25/80/66/182258066.db2.gz AUZIOVDJRCQKGG-KRWDZBQOSA-N 0 0 324.449 3.888 50 0 DHAARN O=C(C[C@H](c1cccs1)n1cccc1)Nc1nccs1 ZINC000020996953 182258382 /nfs/dbraw/zinc/25/83/82/182258382.db2.gz RZQCPKOKMWRFSW-LLVKDONJSA-N 0 0 303.412 3.624 50 0 DHAARN COC(=O)c1cccc(-c2cc(Cl)cc(C(=O)OC)c2)c1 ZINC000097757217 193754590 /nfs/dbraw/zinc/75/45/90/193754590.db2.gz RXRWWGMHAROLFU-UHFFFAOYSA-N 0 0 304.729 3.580 50 0 DHAARN Cc1ccccc1[C@H](CC(=O)Nc1cccnc1)n1cccc1 ZINC000020998582 182259121 /nfs/dbraw/zinc/25/91/21/182259121.db2.gz AMVLPSUEVNDCBZ-SFHVURJKSA-N 0 0 305.381 3.810 50 0 DHAARN Cc1c(C[NH2+]C(C)C)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025180 182261164 /nfs/dbraw/zinc/26/11/64/182261164.db2.gz FWMFTWWMHVPNGK-UHFFFAOYSA-N 0 0 300.402 3.599 50 0 DHAARN CCC[NH2+]Cc1c(C)n(-c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000021025188 182261357 /nfs/dbraw/zinc/26/13/57/182261357.db2.gz QROZNXNNEFVZMH-UHFFFAOYSA-N 0 0 300.402 3.600 50 0 DHAARN CC(C)(C)c1ccc([C@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)cc1 ZINC000021367486 182273772 /nfs/dbraw/zinc/27/37/72/182273772.db2.gz DWNZBLIMPYBSAJ-OAHLLOKOSA-N 0 0 321.380 3.800 50 0 DHAARN COc1cccc2cc3c(=O)n(-c4ccc(C)c(C)c4)nc-3oc21 ZINC000021147727 182266512 /nfs/dbraw/zinc/26/65/12/182266512.db2.gz SOKJJWYZNXJXJP-UHFFFAOYSA-N 0 0 320.348 3.709 50 0 DHAARN Cc1cccc(NC(=O)NCCN2CCCc3ccccc32)c1 ZINC000021148915 182266853 /nfs/dbraw/zinc/26/68/53/182266853.db2.gz ZTSQRBTUAYIYEU-UHFFFAOYSA-N 0 0 309.413 3.569 50 0 DHAARN CCC[C@@H](NC(=O)[C@H](C)Sc1ncccn1)c1ccccc1 ZINC000021174262 182268186 /nfs/dbraw/zinc/26/81/86/182268186.db2.gz UUNZHLLBYHWZLV-DZGCQCFKSA-N 0 0 315.442 3.615 50 0 DHAARN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C)cc3C)CC2=O)cc1 ZINC000021321305 182271622 /nfs/dbraw/zinc/27/16/22/182271622.db2.gz JASQUPSUFWFYGO-MRXNPFEDSA-N 0 0 323.392 3.570 50 0 DHAARN Cc1nc(SC[C@@H]2CCCCO2)[nH]c1Cc1ccccc1 ZINC000021329492 182271834 /nfs/dbraw/zinc/27/18/34/182271834.db2.gz NKEGVWIMJPEXSJ-HNNXBMFYSA-N 0 0 302.443 3.970 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)no1 ZINC000021719002 182285215 /nfs/dbraw/zinc/28/52/15/182285215.db2.gz FWQHOCYQVZJIQI-HNNXBMFYSA-N 0 0 302.349 3.914 50 0 DHAARN CCCc1cc([C@@H]2CCCN2C(=O)c2cc(C(C)C)no2)no1 ZINC000021719192 182285316 /nfs/dbraw/zinc/28/53/16/182285316.db2.gz NXDUHEIILSXPSB-HNNXBMFYSA-N 0 0 317.389 3.716 50 0 DHAARN COc1cc(CN2CCC[C@H]2c2cc(C(C)C)on2)ccc1O ZINC000021720694 182286252 /nfs/dbraw/zinc/28/62/52/182286252.db2.gz YQTSURVYOLKYKE-HNNXBMFYSA-N 0 0 316.401 3.849 50 0 DHAARN Cc1ccc(-n2ccnc(NCCC3=CCCCC3)c2=O)cc1 ZINC000021536900 182279041 /nfs/dbraw/zinc/27/90/41/182279041.db2.gz VVBGDLIHAGDDMW-UHFFFAOYSA-N 0 0 309.413 3.843 50 0 DHAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)c1ccccc1 ZINC000021555400 182279924 /nfs/dbraw/zinc/27/99/24/182279924.db2.gz GKJFJLGMUGGDOL-UHFFFAOYSA-N 0 0 319.408 3.825 50 0 DHAARN Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000021559658 182280490 /nfs/dbraw/zinc/28/04/90/182280490.db2.gz HAVRDEZSFHBDDS-KRWDZBQOSA-N 0 0 324.424 3.710 50 0 DHAARN COc1ccccc1-c1noc2ncnc(N3CCCCCC3)c12 ZINC000021650678 182282650 /nfs/dbraw/zinc/28/26/50/182282650.db2.gz DJXXBEKAGJMEAU-UHFFFAOYSA-N 0 0 324.384 3.674 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)on2)cc1 ZINC000021791144 182289077 /nfs/dbraw/zinc/28/90/77/182289077.db2.gz OWEIDYXIKLRVQR-MRXNPFEDSA-N 0 0 312.369 3.538 50 0 DHAARN CCn1nccc1[C@@H]1CCCN1C(=O)Nc1cc(C)ccc1C ZINC000021791750 182290093 /nfs/dbraw/zinc/29/00/93/182290093.db2.gz AYGBRZSEHXTCNH-INIZCTEOSA-N 0 0 312.417 3.889 50 0 DHAARN Cc1cc(C)cc(N[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 ZINC000021819654 182293437 /nfs/dbraw/zinc/29/34/37/182293437.db2.gz ZWPYGOPWURTDDI-HNNXBMFYSA-N 0 0 314.404 3.602 50 0 DHAARN COc1ccc([C@@H](NC(=O)c2ccccn2)c2ccccc2)cc1 ZINC000021830291 182294277 /nfs/dbraw/zinc/29/42/77/182294277.db2.gz KOYWRPQVCNTELU-IBGZPJMESA-N 0 0 318.376 3.610 50 0 DHAARN Cc1c(Cl)cccc1Nc1nc2ccccc2c2nncn21 ZINC000021880934 182296385 /nfs/dbraw/zinc/29/63/85/182296385.db2.gz NKFMMXDJMGSGTF-UHFFFAOYSA-N 0 0 309.760 3.983 50 0 DHAARN O=C(NCCc1ccccn1)c1ccccc1Oc1ccccc1 ZINC000021773798 182287547 /nfs/dbraw/zinc/28/75/47/182287547.db2.gz DPJXXIXPXZHBDS-UHFFFAOYSA-N 0 0 318.376 3.846 50 0 DHAARN O=c1ccccn1Cc1csc(-c2ccccc2Cl)n1 ZINC000021996952 182302893 /nfs/dbraw/zinc/30/28/93/182302893.db2.gz BCRNAGWQGGGRGJ-UHFFFAOYSA-N 0 0 302.786 3.674 50 0 DHAARN COC(=O)c1ccc(C)c(-c2cccc(Br)n2)c1 ZINC000022005431 182303833 /nfs/dbraw/zinc/30/38/33/182303833.db2.gz DTVGYJVWVQGTLQ-UHFFFAOYSA-N 0 0 306.159 3.606 50 0 DHAARN O=C(OCc1cc(-c2ccccc2)no1)c1cc(Cl)c[nH]1 ZINC000022133024 182309960 /nfs/dbraw/zinc/30/99/60/182309960.db2.gz VYUCHHNZFVMFLO-UHFFFAOYSA-N 0 0 302.717 3.680 50 0 DHAARN O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccc(Cl)c1 ZINC000022134355 182310518 /nfs/dbraw/zinc/31/05/18/182310518.db2.gz ADZMRBMGHFSHDK-INIZCTEOSA-N 0 0 321.829 3.770 50 0 DHAARN O=C(CCn1ccc2ccccc21)NCCc1ccccc1F ZINC000021926347 182298763 /nfs/dbraw/zinc/29/87/63/182298763.db2.gz KJFQKYFNAKIHQJ-UHFFFAOYSA-N 0 0 310.372 3.529 50 0 DHAARN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)C[C@@H]1C=CCC1)CC3 ZINC000022326715 182318297 /nfs/dbraw/zinc/31/82/97/182318297.db2.gz OGGXBZJBHZVPKE-CABCVRRESA-N 0 0 308.425 3.806 50 0 DHAARN CC(C)(C)c1ccc2c(c1)C[C@H](CNC(=O)c1cccs1)O2 ZINC000022333391 182318957 /nfs/dbraw/zinc/31/89/57/182318957.db2.gz XAJVZQUUEKPDTR-CQSZACIVSA-N 0 0 315.438 3.779 50 0 DHAARN O=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1cccs1 ZINC000022370640 182320223 /nfs/dbraw/zinc/32/02/23/182320223.db2.gz SINQMNSPAKPNHI-UHFFFAOYSA-N 0 0 313.334 3.813 50 0 DHAARN CC(=O)[C@H](C)OC(=O)c1c2cc(C)ccc2nc2c1CCCC2 ZINC000022156236 182311396 /nfs/dbraw/zinc/31/13/96/182311396.db2.gz RQPUPLBALBXMIY-ZDUSSCGKSA-N 0 0 311.381 3.556 50 0 DHAARN CCc1nc(Sc2ncc(C(F)(F)F)cc2Cl)n[nH]1 ZINC000022530205 182325756 /nfs/dbraw/zinc/32/57/56/182325756.db2.gz NSAAIBLPBPLEHG-UHFFFAOYSA-N 0 0 308.716 3.586 50 0 DHAARN CCCCc1noc(CSc2nc3cc(C)ccc3[nH]2)n1 ZINC000022611039 182327859 /nfs/dbraw/zinc/32/78/59/182327859.db2.gz HLHOSWJHDVNUEK-UHFFFAOYSA-N 0 0 302.403 3.889 50 0 DHAARN COc1cccc(CNC(=O)c2occc2-c2ccccc2)c1 ZINC000022623515 182328731 /nfs/dbraw/zinc/32/87/31/182328731.db2.gz ZUGCYQFNBGGTPQ-UHFFFAOYSA-N 0 0 307.349 3.885 50 0 DHAARN Cc1sc2ncnc(Sc3n[nH]c(C(C)C)n3)c2c1C ZINC000022420405 182321601 /nfs/dbraw/zinc/32/16/01/182321601.db2.gz YYZUSZGUMNSTOU-UHFFFAOYSA-N 0 0 305.432 3.701 50 0 DHAARN CC(C)C(=O)Nc1ccccc1-c1nc(Cc2ccccc2)no1 ZINC000022462967 182322427 /nfs/dbraw/zinc/32/24/27/182322427.db2.gz MMPZVYKFNVSJAT-UHFFFAOYSA-N 0 0 321.380 3.922 50 0 DHAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)O[C@H](C)C1 ZINC000023016451 182344807 /nfs/dbraw/zinc/34/48/07/182344807.db2.gz WBWROZJWISAZMY-UTUOFQBUSA-N 0 0 309.360 3.602 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Cc1ncc(-c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)o1 ZINC000029953125 182581742 /nfs/dbraw/zinc/58/17/42/182581742.db2.gz WTQZRSCYJZDSPP-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN Cc1nnc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 ZINC000030570593 182593040 /nfs/dbraw/zinc/59/30/40/182593040.db2.gz CBCGKXQOARUFOL-UHFFFAOYSA-N 0 0 307.378 3.670 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)Cc2ccccc2C)c1C ZINC000031114661 182607294 /nfs/dbraw/zinc/60/72/94/182607294.db2.gz FOIKOZJKTVCZTI-UHFFFAOYSA-N 0 0 310.397 3.833 50 0 DHAARN CC(C)NC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc21 ZINC000032073859 182633561 /nfs/dbraw/zinc/63/35/61/182633561.db2.gz QWDOQDKRKCPSMA-UHFFFAOYSA-N 0 0 309.344 3.574 50 0 DHAARN CC(C)CCn1c2ccccc2n2c(-c3ccncc3)nnc12 ZINC000032537157 182647185 /nfs/dbraw/zinc/64/71/85/182647185.db2.gz QPNCEHHYGHHYBX-UHFFFAOYSA-N 0 0 305.385 3.792 50 0 DHAARN COc1ccc2c(c1)C[C@@H](c1nc(-c3cccs3)no1)CO2 ZINC000032561757 182648022 /nfs/dbraw/zinc/64/80/22/182648022.db2.gz OGOCFQGERVMJFH-LLVKDONJSA-N 0 0 314.366 3.525 50 0 DHAARN 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CCOc1ccc2c(cc(C(=O)NCc3ccc(C)cc3)n2C)c1 ZINC000035558621 182780060 /nfs/dbraw/zinc/78/00/60/182780060.db2.gz KPVFYEXNZMHGTF-UHFFFAOYSA-N 0 0 322.408 3.815 50 0 DHAARN O=C1C[C@@H](c2cccc(O)c2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036354924 182818713 /nfs/dbraw/zinc/81/87/13/182818713.db2.gz GRXFIBXFATVHHT-HNNXBMFYSA-N 0 0 323.327 3.841 50 0 DHAARN O=C1Nc2ccccc2/C1=C\c1c(Cl)nc2sccn12 ZINC000039003949 183013330 /nfs/dbraw/zinc/01/33/30/183013330.db2.gz JLTIPTKNMTUOBO-VQHVLOKHSA-N 0 0 301.758 3.542 50 0 DHAARN Brc1cncc(-c2nnc(-c3ccccc3)o2)c1 ZINC000038537622 183001746 /nfs/dbraw/zinc/00/17/46/183001746.db2.gz MSUCGCFKPCQJKU-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN O=C(Nc1cncc(Br)c1)OCc1ccccc1 ZINC000038537178 183001758 /nfs/dbraw/zinc/00/17/58/183001758.db2.gz QHVXEKSVCNDLMZ-UHFFFAOYSA-N 0 0 307.147 3.593 50 0 DHAARN O=C(c1ccc(Br)cc1Cl)N1CCCCC1 ZINC000038537842 183001816 /nfs/dbraw/zinc/00/18/16/183001816.db2.gz WGYAAUGIZMSWNE-UHFFFAOYSA-N 0 0 302.599 3.729 50 0 DHAARN O=C(Nc1cccs1)Nc1nc(-c2ccccn2)cs1 ZINC000038671376 183006560 /nfs/dbraw/zinc/00/65/60/183006560.db2.gz XPIPXEMYSQHUTD-UHFFFAOYSA-N 0 0 302.384 3.911 50 0 DHAARN Cc1cc(NC(=O)CSc2nc3ccccc3s2)sn1 ZINC000038680475 183006593 /nfs/dbraw/zinc/00/65/93/183006593.db2.gz LTSBNWVNVHKEIG-UHFFFAOYSA-N 0 0 321.452 3.792 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1C ZINC000038835218 183011628 /nfs/dbraw/zinc/01/16/28/183011628.db2.gz RIVKXDDEOZLKCY-UHFFFAOYSA-N 0 0 305.381 3.801 50 0 DHAARN CON(C)C(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 ZINC000039995465 183027122 /nfs/dbraw/zinc/02/71/22/183027122.db2.gz NRZRRGVHDRONQB-UHFFFAOYSA-N 0 0 322.364 3.950 50 0 DHAARN CN(Cc1ccccc1)C(=O)/C=C/c1cccc2cccnc12 ZINC000040040310 183029174 /nfs/dbraw/zinc/02/91/74/183029174.db2.gz DMKKGPMYBZCJKD-OUKQBFOZSA-N 0 0 302.377 3.907 50 0 DHAARN Cc1c(C(=O)NCc2ccc(C)cc2)cnn1-c1ccccc1F ZINC000040047135 183029904 /nfs/dbraw/zinc/02/99/04/183029904.db2.gz APYXELOYEOVQNQ-UHFFFAOYSA-N 0 0 323.371 3.558 50 0 DHAARN CC1=CC[C@](C[C@H]2CCCO2)(S(=O)(=O)c2ccccc2)CC1 ZINC000039247189 183015593 /nfs/dbraw/zinc/01/55/93/183015593.db2.gz YYRWTVNJWGKNPB-AEFFLSMTSA-N 0 0 320.454 3.898 50 0 DHAARN COc1ccc(NC(=O)N(CC(C)C)CC(F)(F)F)cc1 ZINC000040150036 183040106 /nfs/dbraw/zinc/04/01/06/183040106.db2.gz SYVPVKAKRRAJRM-UHFFFAOYSA-N 0 0 304.312 3.747 50 0 DHAARN COC(=O)c1cc(-c2cccc(Cl)c2)nc2onc(C)c21 ZINC000040154896 183040719 /nfs/dbraw/zinc/04/07/19/183040719.db2.gz NSXFADVRRBCQPO-UHFFFAOYSA-N 0 0 302.717 3.638 50 0 DHAARN COc1ccc(C)cc1CC(=O)N[C@H](C)Cc1ccccc1C ZINC000040155941 183040745 /nfs/dbraw/zinc/04/07/45/183040745.db2.gz HZEZSRYHLJNRAJ-MRXNPFEDSA-N 0 0 311.425 3.602 50 0 DHAARN CN(Cc1ccc(Cl)s1)C(=O)c1cc(F)cc(F)c1 ZINC000040162154 183042131 /nfs/dbraw/zinc/04/21/31/183042131.db2.gz QLMYCXRMYWNJEA-UHFFFAOYSA-N 0 0 301.745 3.952 50 0 DHAARN O=C(NCCSC1CCCC1)c1ccc2ccccc2n1 ZINC000040082514 183031788 /nfs/dbraw/zinc/03/17/88/183031788.db2.gz VANNXKQSSARUFF-UHFFFAOYSA-N 0 0 300.427 3.640 50 0 DHAARN O=C(Nc1ccccc1-n1cccn1)c1ccc2ccccc2n1 ZINC000040088488 183033032 /nfs/dbraw/zinc/03/30/32/183033032.db2.gz ZNGMYBQDOCGXOL-UHFFFAOYSA-N 0 0 314.348 3.673 50 0 DHAARN O=C(/C=C/c1cccnc1)NCCc1cccc2ccccc21 ZINC000040090823 183033395 /nfs/dbraw/zinc/03/33/95/183033395.db2.gz XEFKWNSYIVHFGH-ZHACJKMWSA-N 0 0 302.377 3.607 50 0 DHAARN CCOc1ncccc1CNC(=O)Nc1ccc(F)c(Cl)c1 ZINC000040097678 183034302 /nfs/dbraw/zinc/03/43/02/183034302.db2.gz YSABEOUIMZINJO-UHFFFAOYSA-N 0 0 323.755 3.595 50 0 DHAARN COc1ccc(CNC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000040097511 183034361 /nfs/dbraw/zinc/03/43/61/183034361.db2.gz YJSKIKKSIQOOQU-UHFFFAOYSA-N 0 0 308.740 3.809 50 0 DHAARN O=C(CCOC[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000040107352 183036001 /nfs/dbraw/zinc/03/60/01/183036001.db2.gz DMKCSJMFKJQYKB-LLVKDONJSA-N 0 0 318.200 3.518 50 0 DHAARN Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccccc3)cc2)n1 ZINC000040107390 183036126 /nfs/dbraw/zinc/03/61/26/183036126.db2.gz BOKZDKIWPKUCRH-UHFFFAOYSA-N 0 0 305.381 3.670 50 0 DHAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)Cc1ccccc1Cl ZINC000040108326 183036483 /nfs/dbraw/zinc/03/64/83/183036483.db2.gz HUDGYLGSJKDWFL-BBRMVZONSA-N 0 0 309.837 3.594 50 0 DHAARN Cc1cc(N(C)C)ccc1NC(=O)[C@@H](C)n1cnc2ccccc21 ZINC000040111654 183036986 /nfs/dbraw/zinc/03/69/86/183036986.db2.gz LSZILTNYPKQNST-CQSZACIVSA-N 0 0 322.412 3.610 50 0 DHAARN CC(C)CC(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000040122126 183038413 /nfs/dbraw/zinc/03/84/13/183038413.db2.gz LDKWIEOUOVTIIN-UHFFFAOYSA-N 0 0 311.425 3.970 50 0 DHAARN CCc1ccc(-c2csc(NC(=O)CCCOC)n2)cc1 ZINC000040129063 183038438 /nfs/dbraw/zinc/03/84/38/183038438.db2.gz LRINWOKANXQJNI-UHFFFAOYSA-N 0 0 304.415 3.738 50 0 DHAARN CC(C)Oc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 ZINC000040122337 183038728 /nfs/dbraw/zinc/03/87/28/183038728.db2.gz DUCRNFRDRTXNBQ-ZDUSSCGKSA-N 0 0 302.201 3.996 50 0 DHAARN Cn1c2ccccc2c(Cl)c1C(=O)NCc1cccs1 ZINC000040144246 183039046 /nfs/dbraw/zinc/03/90/46/183039046.db2.gz FELSEZCFHUQMGM-UHFFFAOYSA-N 0 0 304.802 3.823 50 0 DHAARN 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O=C(CN1CCCc2ccccc21)N1CCSc2ccccc21 ZINC000025784971 134664047 /nfs/dbraw/zinc/66/40/47/134664047.db2.gz WWDXOYGIEBXVEK-UHFFFAOYSA-N 0 0 324.449 3.578 50 0 DHAARN Cc1nnc(-c2ccc(Cl)cc2)nc1N1CCC(C)CC1 ZINC000065195874 134818229 /nfs/dbraw/zinc/81/82/29/134818229.db2.gz JNLABQUTNPWGPB-UHFFFAOYSA-N 0 0 302.809 3.737 50 0 DHAARN CC(=O)Oc1cccc(-c2csc(-n3nc(C)cc3C)n2)c1 ZINC000008755815 335083841 /nfs/dbraw/zinc/08/38/41/335083841.db2.gz VBDGCAUMGFACKA-UHFFFAOYSA-N 0 0 313.382 3.538 50 0 DHAARN Cc1ccc([C@@]2(C(=O)NCCSC(C)C)CC2(C)C)cc1 ZINC000299760870 229405858 /nfs/dbraw/zinc/40/58/58/229405858.db2.gz XYBURFYCHQOQNX-GOSISDBHSA-N 0 0 305.487 3.921 50 0 DHAARN Cc1csc(CNc2cccc(Cl)c2N2CCOCC2)n1 ZINC000088523695 262525067 /nfs/dbraw/zinc/52/50/67/262525067.db2.gz BZWALBATQPNTBI-UHFFFAOYSA-N 0 0 323.849 3.554 50 0 DHAARN Cc1c2ccccc2oc1-c1nc(N)nc(Nc2ccccc2)n1 ZINC000017015026 431616065 /nfs/dbraw/zinc/61/60/65/431616065.db2.gz WNOJMYQYKBXNCP-UHFFFAOYSA-N 0 0 317.352 3.919 50 0 DHAARN 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O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027386487 331605770 /nfs/dbraw/zinc/60/57/70/331605770.db2.gz COZSPYMXQJWMKU-AWEZNQCLSA-N 0 0 324.355 3.987 50 0 DHAARN O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCC(F)(F)CC1 ZINC000536411131 332239934 /nfs/dbraw/zinc/23/99/34/332239934.db2.gz NFJOQRVNXJBMAF-UHFFFAOYSA-N 0 0 321.289 3.942 50 0 DHAARN CC(F)(F)c1cccc(NCc2noc(C3CCOCC3)n2)c1 ZINC000187589016 332976790 /nfs/dbraw/zinc/97/67/90/332976790.db2.gz VCETXQNNVZOHGA-UHFFFAOYSA-N 0 0 323.343 3.687 50 0 DHAARN CCCn1c(C(=O)N[C@@H](C)c2cccnc2)cc2ccccc21 ZINC000188615686 333050739 /nfs/dbraw/zinc/05/07/39/333050739.db2.gz UFFNGUITQAQUCG-AWEZNQCLSA-N 0 0 307.397 3.937 50 0 DHAARN C[C@H](NC(=O)c1ccc(Br)o1)c1cccs1 ZINC000022976244 333398651 /nfs/dbraw/zinc/39/86/51/333398651.db2.gz VROPHRPJJZRFHK-ZETCQYMHSA-N 0 0 300.177 3.595 50 0 DHAARN Cc1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cnn1 ZINC000276475317 334079418 /nfs/dbraw/zinc/07/94/18/334079418.db2.gz FAMZZWFFYNCNJJ-SFHVURJKSA-N 0 0 320.396 3.634 50 0 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MEROQHXWASDHQZ-LLVKDONJSA-N 0 0 322.474 3.881 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC(F)F)cc1 ZINC000012751663 563824237 /nfs/dbraw/zinc/82/42/37/563824237.db2.gz HYLXTJOIALYMIA-RISCZKNCSA-N 0 0 312.360 3.666 50 0 DHAARN Fc1ccc(-c2nc(CSC[C@H]3CCCCO3)no2)cc1 ZINC000084421715 563826971 /nfs/dbraw/zinc/82/69/71/563826971.db2.gz RKISPFRNOMAWIG-CYBMUJFWSA-N 0 0 308.378 3.678 50 0 DHAARN COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)C(C)C)c1OC ZINC000036097286 563892786 /nfs/dbraw/zinc/89/27/86/563892786.db2.gz MAVRANRJHVRQIC-QGZVFWFLSA-N 0 0 323.477 3.569 50 0 DHAARN Cc1cc(N2CCCC2)nc2sc3c(ncnc3Cl)c21 ZINC000071282941 563909293 /nfs/dbraw/zinc/90/92/93/563909293.db2.gz LRDVCPRVBMVJNR-UHFFFAOYSA-N 0 0 304.806 3.802 50 0 DHAARN O=[S@](CC[C@H]1CCCO1)Cc1ncc(-c2ccccc2)s1 ZINC000195577213 563919795 /nfs/dbraw/zinc/91/97/95/563919795.db2.gz AKWGLMLVLHPBEA-SPLOXXLWSA-N 0 0 321.467 3.628 50 0 DHAARN CC[C@@H](Sc1nnc(N2CCOCC2)s1)c1ccccc1 ZINC000078718271 563929987 /nfs/dbraw/zinc/92/99/87/563929987.db2.gz 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/nfs/dbraw/zinc/31/13/71/563311371.db2.gz ZMBRTCYCEGRNDT-UHFFFAOYSA-N 0 0 322.286 3.916 50 0 DHAARN O=c1nc(CCc2ccccc2)[nH]c2sc3c(c21)CCCC3 ZINC000002837970 563314147 /nfs/dbraw/zinc/31/41/47/563314147.db2.gz CLUHVLQNYSRSGZ-UHFFFAOYSA-N 0 0 310.422 3.649 50 0 DHAARN Cc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1C ZINC000002871462 563315704 /nfs/dbraw/zinc/31/57/04/563315704.db2.gz RYKLEHBCMLCGOC-UHFFFAOYSA-N 0 0 303.427 3.578 50 0 DHAARN CCCCCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000002968467 563318123 /nfs/dbraw/zinc/31/81/23/563318123.db2.gz ATPNNTQMUDOFML-UHFFFAOYSA-N 0 0 310.191 3.625 50 0 DHAARN CO[C@H](C(=O)NCCSc1ccc(C)cc1)c1ccccc1 ZINC000002983764 563319021 /nfs/dbraw/zinc/31/90/21/563319021.db2.gz JESRNBOPHCBXLS-KRWDZBQOSA-N 0 0 315.438 3.591 50 0 DHAARN c1sc(Cc2nnc3n2CCCCC3)nc1-c1ccccc1 ZINC000003185089 563323025 /nfs/dbraw/zinc/32/30/25/563323025.db2.gz RFVMMSABOJTQPK-UHFFFAOYSA-N 0 0 310.426 3.719 50 0 DHAARN O=C(c1ccc(Cl)s1)N1CCN(c2ccccc2F)CC1 ZINC000003357888 563324432 /nfs/dbraw/zinc/32/44/32/563324432.db2.gz FAGRHJQSXPVRMS-UHFFFAOYSA-N 0 0 324.808 3.503 50 0 DHAARN COc1ccc(-n2ccc(NC(=O)c3cc(C)cs3)n2)cc1 ZINC000034907461 563324477 /nfs/dbraw/zinc/32/44/77/563324477.db2.gz DRZPFYIUZQBKPT-UHFFFAOYSA-N 0 0 313.382 3.503 50 0 DHAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)C2CC2)c1 ZINC000034915026 563324937 /nfs/dbraw/zinc/32/49/37/563324937.db2.gz QZEVBHQVZAVRJZ-UHFFFAOYSA-N 0 0 305.381 3.967 50 0 DHAARN O=C1c2cc(Br)ccc2[C@H]2OCc3ccccc3N12 ZINC000035326824 563326607 /nfs/dbraw/zinc/32/66/07/563326607.db2.gz YEEZQZSXCKFYCM-OAHLLOKOSA-N 0 0 316.154 3.638 50 0 DHAARN CC1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000004739880 563327633 /nfs/dbraw/zinc/32/76/33/563327633.db2.gz FFOWJSDIVHPUSM-UHFFFAOYSA-N 0 0 324.424 3.940 50 0 DHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000005598715 563330123 /nfs/dbraw/zinc/33/01/23/563330123.db2.gz OWVUZOVZHQHWSH-UHFFFAOYSA-N 0 0 305.399 3.503 50 0 DHAARN CC(=O)[C@@H](C)Sc1cc(C)nc2c(-c3ccccc3)cnn21 ZINC000002336508 563332050 /nfs/dbraw/zinc/33/20/50/563332050.db2.gz KOCWVEQLLQYBRN-CYBMUJFWSA-N 0 0 311.410 3.774 50 0 DHAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccoc2)n1 ZINC000010579456 563332263 /nfs/dbraw/zinc/33/22/63/563332263.db2.gz MRCGZZCHGAZCKT-UHFFFAOYSA-N 0 0 314.366 3.972 50 0 DHAARN CO[C@H](C(=O)N[C@H](C)c1csc(C(C)C)n1)c1ccccc1 ZINC000071907668 563332368 /nfs/dbraw/zinc/33/23/68/563332368.db2.gz MZUSCJXMLYXXFT-DOMZBBRYSA-N 0 0 318.442 3.831 50 0 DHAARN CCC(C)(C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000071908762 563332578 /nfs/dbraw/zinc/33/25/78/563332578.db2.gz PSAXNNCDJKAVTL-LJQANCHMSA-N 0 0 301.839 3.593 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1ccc(-n2cccn2)cc1 ZINC000006994849 563335806 /nfs/dbraw/zinc/33/58/06/563335806.db2.gz IGNNQMXCCRPCQV-UHFFFAOYSA-N 0 0 305.381 3.995 50 0 DHAARN COc1ccc2[nH]c(SC[C@@H]3CC3(Cl)Cl)nc2c1 ZINC000006975205 563335922 /nfs/dbraw/zinc/33/59/22/563335922.db2.gz VOZFRWCWOKHDPQ-ZETCQYMHSA-N 0 0 303.214 3.857 50 0 DHAARN CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(C)=O)c12 ZINC000002811766 563336081 /nfs/dbraw/zinc/33/60/81/563336081.db2.gz PVOTZBANMHRDQJ-CYBMUJFWSA-N 0 0 302.370 3.800 50 0 biogenic DHAARN O=C(c1ccncc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372165 563336585 /nfs/dbraw/zinc/33/65/85/563336585.db2.gz CFTNPMTZGMMSFH-CQSZACIVSA-N 0 0 320.314 3.730 50 0 DHAARN Cc1ncccc1CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000097371101 563336678 /nfs/dbraw/zinc/33/66/78/563336678.db2.gz KVHNGPVIMOQMBZ-HXUWFJFHSA-N 0 0 308.834 3.534 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000097372410 563337326 /nfs/dbraw/zinc/33/73/26/563337326.db2.gz LZYILCQQIVOTQQ-DYZYQPBXSA-N 0 0 315.392 3.537 50 0 DHAARN O=S(=O)(Nc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000007402324 563338500 /nfs/dbraw/zinc/33/85/00/563338500.db2.gz JPUPZXPDWDZGSV-UHFFFAOYSA-N 0 0 319.279 3.645 50 0 DHAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000002735454 563340653 /nfs/dbraw/zinc/34/06/53/563340653.db2.gz ZEPAQPVAZCXRCD-UHFFFAOYSA-N 0 0 315.438 3.736 50 0 DHAARN O=C(Cc1c(Cl)cccc1Cl)NCCc1ccccc1 ZINC000002789259 563341957 /nfs/dbraw/zinc/34/19/57/563341957.db2.gz LIKYMPHSTNYDLD-UHFFFAOYSA-N 0 0 308.208 3.895 50 0 DHAARN CCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S ZINC000002792699 563342763 /nfs/dbraw/zinc/34/27/63/563342763.db2.gz OCAZUUQMQZPLDP-UHFFFAOYSA-N 0 0 321.299 3.864 50 0 DHAARN O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)[C@H]1CCCO1 ZINC000008187575 563344597 /nfs/dbraw/zinc/34/45/97/563344597.db2.gz SJJRZNDACKBZCV-OAHLLOKOSA-N 0 0 308.337 3.612 50 0 DHAARN Cc1sc(N)c(C(=O)NCc2ccco2)c1-c1ccccc1 ZINC000008299696 563345877 /nfs/dbraw/zinc/34/58/77/563345877.db2.gz JTZVWQORXVTWGU-UHFFFAOYSA-N 0 0 312.394 3.829 50 0 DHAARN Cc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)c(C)c1 ZINC000008369211 563346527 /nfs/dbraw/zinc/34/65/27/563346527.db2.gz PIMXXJDTXGRCMN-UHFFFAOYSA-N 0 0 317.772 3.787 50 0 DHAARN COc1ccccc1-c1cnn2c1nc(C)cc2C(F)(F)F ZINC000008569774 563348102 /nfs/dbraw/zinc/34/81/02/563348102.db2.gz TUMQAYZUABBDGA-UHFFFAOYSA-N 0 0 307.275 3.732 50 0 DHAARN O=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1 ZINC000008738745 563350102 /nfs/dbraw/zinc/35/01/02/563350102.db2.gz ATCCWKYKHCKDGT-UHFFFAOYSA-N 0 0 315.170 3.888 50 0 DHAARN CCN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21 ZINC000022732590 563350877 /nfs/dbraw/zinc/35/08/77/563350877.db2.gz XXRPPVNYHRHSTE-UHFFFAOYSA-N 0 0 314.473 3.698 50 0 DHAARN O=C(Nc1ccccc1OCc1ccccc1)c1cccnc1 ZINC000008905861 563351487 /nfs/dbraw/zinc/35/14/87/563351487.db2.gz BXNCPNOBHOSWCC-UHFFFAOYSA-N 0 0 304.349 3.913 50 0 DHAARN Cc1nnc2sc(-c3cccc4c(Cl)cccc34)nn12 ZINC000008992019 563351560 /nfs/dbraw/zinc/35/15/60/563351560.db2.gz MGWIWMZWFYIXNK-UHFFFAOYSA-N 0 0 300.774 3.968 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)c1sc2ncccc2c1N ZINC000009189754 563352383 /nfs/dbraw/zinc/35/23/83/563352383.db2.gz JNDMSAUEJXOTKT-UHFFFAOYSA-N 0 0 307.378 3.899 50 0 DHAARN O=C(Nc1nnc(-c2ccco2)s1)c1ccc(Cl)cc1 ZINC000009361098 563353598 /nfs/dbraw/zinc/35/35/98/563353598.db2.gz MQZDSZFATKESGB-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN Cn1cc(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc21 ZINC000009378971 563353943 /nfs/dbraw/zinc/35/39/43/563353943.db2.gz PKAHZTBDGXLQJM-LFIBNONCSA-N 0 0 302.333 3.523 50 0 DHAARN CCOCCOc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000009878272 563354329 /nfs/dbraw/zinc/35/43/29/563354329.db2.gz FHFHQYTUQYPLNF-UHFFFAOYSA-N 0 0 313.397 3.673 50 0 DHAARN CCCSc1nc(=O)c2sc3c(c2[nH]1)CO[C@](C)(CC)C3 ZINC000009698149 563354817 /nfs/dbraw/zinc/35/48/17/563354817.db2.gz OPHLVKGFJCPXCT-OAHLLOKOSA-N 0 0 324.471 3.728 50 0 DHAARN Cc1cc2nc(Nc3nc(C(C)C)cc(=O)[nH]3)nc(C)c2cc1C ZINC000010157400 563355347 /nfs/dbraw/zinc/35/53/47/563355347.db2.gz NEUUSFLGWGGIDH-UHFFFAOYSA-N 0 0 323.400 3.505 50 0 DHAARN CCCCOc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](C)CC ZINC000011614075 563358046 /nfs/dbraw/zinc/35/80/46/563358046.db2.gz GYZFHOVWSLCVJZ-AWEZNQCLSA-N 0 0 313.463 3.559 50 0 DHAARN COc1ccc(/C=C/c2nc(CCNc3ccccc3)no2)cc1 ZINC000011692905 563359096 /nfs/dbraw/zinc/35/90/96/563359096.db2.gz SAQAKHQWOLEBGI-FMIVXFBMSA-N 0 0 321.380 3.903 50 0 DHAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccccc1F ZINC000011690278 563359273 /nfs/dbraw/zinc/35/92/73/563359273.db2.gz LPHBWDMQMJZIGC-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN CCCOc1ccccc1C(=O)Oc1ccc(NC(C)=O)cc1 ZINC000012137939 563362393 /nfs/dbraw/zinc/36/23/93/563362393.db2.gz XQEZKKKJKKIQRO-UHFFFAOYSA-N 0 0 313.353 3.653 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000012138321 563362575 /nfs/dbraw/zinc/36/25/75/563362575.db2.gz DLPXXRSTSCYVIV-CQSZACIVSA-N 0 0 310.397 3.776 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000012138373 563362664 /nfs/dbraw/zinc/36/26/64/563362664.db2.gz VFFBRHYCWBCFNA-CQSZACIVSA-N 0 0 310.397 3.776 50 0 DHAARN CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 ZINC000012247844 563365472 /nfs/dbraw/zinc/36/54/72/563365472.db2.gz ZXZRTIGWPMMUJW-HOCLYGCPSA-N 0 0 324.424 3.523 50 0 DHAARN O=C(c1ccsc1)N1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000012303969 563366536 /nfs/dbraw/zinc/36/65/36/563366536.db2.gz LUYFTWJOMZPEML-OAHLLOKOSA-N 0 0 304.390 3.604 50 0 DHAARN Cn1ccnc1CN1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000012316421 563366594 /nfs/dbraw/zinc/36/65/94/563366594.db2.gz PNCFMTSEOFNUSK-CQSZACIVSA-N 0 0 319.399 3.543 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2cnc3ccc(F)cc3c2O)c1 ZINC000012380255 563367726 /nfs/dbraw/zinc/36/77/26/563367726.db2.gz MHBNNJQOARPWKR-UHFFFAOYSA-N 0 0 324.311 3.534 50 0 DHAARN O=c1nc2n(c3ccccc13)CC/C2=C/c1ccccc1Cl ZINC000012416254 563368798 /nfs/dbraw/zinc/36/87/98/563368798.db2.gz OLKCHWLAGWSFBX-QBFSEMIESA-N 0 0 308.768 3.994 50 0 DHAARN c1ccc(Sc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000012409354 563368962 /nfs/dbraw/zinc/36/89/62/563368962.db2.gz WZYATTHUGZXUHO-UHFFFAOYSA-N 0 0 304.378 3.943 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000012404445 563369157 /nfs/dbraw/zinc/36/91/57/563369157.db2.gz AWPGRUYQJHDFFM-LBPRGKRZSA-N 0 0 314.360 3.606 50 0 DHAARN COC(=O)c1sc2nc(Cc3ccccc3)nc(C)c2c1C ZINC000012408853 563369219 /nfs/dbraw/zinc/36/92/19/563369219.db2.gz OUZICHJTXUUYGN-UHFFFAOYSA-N 0 0 312.394 3.686 50 0 DHAARN O=C(C1CCC1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000012465893 563369767 /nfs/dbraw/zinc/36/97/67/563369767.db2.gz FOCOPJIATHDFQN-UHFFFAOYSA-N 0 0 316.788 3.680 50 0 DHAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000032610484 563371302 /nfs/dbraw/zinc/37/13/02/563371302.db2.gz YXXMTQUKXLUODR-UHFFFAOYSA-N 0 0 309.344 3.501 50 0 DHAARN CCCc1ccc2oc(C(=O)N(C)Cc3ccon3)c(C)c2c1 ZINC000012592719 563371599 /nfs/dbraw/zinc/37/15/99/563371599.db2.gz FZJMRMJGNPJXLA-UHFFFAOYSA-N 0 0 312.369 3.954 50 0 DHAARN Cc1ccc(CN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)o1 ZINC000012583881 563371674 /nfs/dbraw/zinc/37/16/74/563371674.db2.gz JVUAWDFRYAPYFT-QGZVFWFLSA-N 0 0 320.396 3.607 50 0 DHAARN CCCc1ccc2oc(C(=O)N(C)C3CCOCC3)c(C)c2c1 ZINC000012574398 563371790 /nfs/dbraw/zinc/37/17/90/563371790.db2.gz AGUKNNQFXUUAOV-UHFFFAOYSA-N 0 0 315.413 3.945 50 0 DHAARN O=C(CCn1cnc2ccccc21)Nc1ccc(Cl)cc1F ZINC000012628394 563372425 /nfs/dbraw/zinc/37/24/25/563372425.db2.gz ZUANEZYUTPKNNZ-UHFFFAOYSA-N 0 0 317.751 3.858 50 0 DHAARN COc1cccc(CC[C@H]2CCCN(C(=O)c3ccoc3)C2)c1 ZINC000012705912 563372484 /nfs/dbraw/zinc/37/24/84/563372484.db2.gz HEVJUPKRLIUSBR-MRXNPFEDSA-N 0 0 313.397 3.773 50 0 DHAARN Cc1oc(-c2cccc(F)c2)nc1CN(C)[C@H](C)c1ccon1 ZINC000012708327 563372553 /nfs/dbraw/zinc/37/25/53/563372553.db2.gz PZEUBJPDGAEQOZ-LLVKDONJSA-N 0 0 315.348 3.970 50 0 DHAARN CC(C)CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000012728748 563373537 /nfs/dbraw/zinc/37/35/37/563373537.db2.gz HJVJBSMPSODIFY-UHFFFAOYSA-N 0 0 324.424 3.644 50 0 DHAARN COc1cc2ccccc2cc1C(=O)Nn1cnc2ccccc21 ZINC000012792521 563373895 /nfs/dbraw/zinc/37/38/95/563373895.db2.gz KIKBSFSAXXLXGW-UHFFFAOYSA-N 0 0 317.348 3.582 50 0 DHAARN COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1F ZINC000012790873 563374025 /nfs/dbraw/zinc/37/40/25/563374025.db2.gz ZFMDRZKMMTYRLS-SLEUVZQESA-N 0 0 308.397 3.773 50 0 DHAARN CC[C@H](C)C(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000012975637 563375844 /nfs/dbraw/zinc/37/58/44/563375844.db2.gz CHJAFUZNJJHIMP-RYUDHWBXSA-N 0 0 303.381 3.543 50 0 DHAARN CCOc1cc2c(cc1NC(=O)c1ccccc1F)O[C@@H](C)C2 ZINC000012982275 563376280 /nfs/dbraw/zinc/37/62/80/563376280.db2.gz NMEPNTSPFBLNNH-NSHDSACASA-N 0 0 315.344 3.800 50 0 DHAARN CCc1oc2ccccc2c1/C=C/C(=O)Nc1c(C)nn(C)c1C ZINC000012986568 563376705 /nfs/dbraw/zinc/37/67/05/563376705.db2.gz DTZLZBIKLPCMKN-ZHACJKMWSA-N 0 0 323.396 3.997 50 0 DHAARN Cc1cc2n(n1)S[C@@H](Nc1cc(Cl)ccc1Cl)N2 ZINC000013132464 563378655 /nfs/dbraw/zinc/37/86/55/563378655.db2.gz BFJXOMJAHMJFPO-NSHDSACASA-N 0 0 301.202 3.816 50 0 DHAARN COc1ccccc1Nc1nc(-c2ccc(O)cc2O)cs1 ZINC000013135489 563378731 /nfs/dbraw/zinc/37/87/31/563378731.db2.gz ILOJWHSZXMDHLJ-UHFFFAOYSA-N 0 0 314.366 3.974 50 0 DHAARN Cc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)c1 ZINC000013131385 563378775 /nfs/dbraw/zinc/37/87/75/563378775.db2.gz LVWREOUVEGWRIV-DLBZAZTESA-N 0 0 308.360 3.872 50 0 aggregator DHAARN CC(=O)Nc1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1 ZINC000013140814 563379578 /nfs/dbraw/zinc/37/95/78/563379578.db2.gz NMYWLJYLFHEYAE-UHFFFAOYSA-N 0 0 322.364 3.881 50 0 DHAARN Cc1ccc(S(=O)(=O)/N=[S@](/c2ccccc2)C(C)C)cc1 ZINC000013152252 563379715 /nfs/dbraw/zinc/37/97/15/563379715.db2.gz DWNRUURVBUPQSB-HXUWFJFHSA-N 0 0 321.467 3.953 50 0 DHAARN CCCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)cs1 ZINC000013326804 563380892 /nfs/dbraw/zinc/38/08/92/563380892.db2.gz WIUOCMNAKFBNQF-UHFFFAOYSA-N 0 0 302.399 3.911 50 0 DHAARN CCc1cc(Br)ccc1NC(=O)c1c(C)noc1C ZINC000013325678 563380934 /nfs/dbraw/zinc/38/09/34/563380934.db2.gz CNNIAAKVAQCKIO-UHFFFAOYSA-N 0 0 323.190 3.869 50 0 DHAARN COc1cccc(NC(=S)N=[S@](C)(=O)c2ccccc2)c1 ZINC000013466220 563381829 /nfs/dbraw/zinc/38/18/29/563381829.db2.gz PPAVPESGPMLZGM-OAQYLSRUSA-N 0 0 320.439 3.549 50 0 DHAARN CC(=O)c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 ZINC000013518842 563382828 /nfs/dbraw/zinc/38/28/28/563382828.db2.gz NBJVCTQBIHIHGE-UHFFFAOYSA-N 0 0 316.401 3.557 50 0 DHAARN COc1ccc(C=Cc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000013638662 563384049 /nfs/dbraw/zinc/38/40/49/563384049.db2.gz IFKRIEGMEQAODE-FMIVXFBMSA-N 0 0 304.349 3.616 50 0 DHAARN O=C(COC(c1ccccc1)c1ccccc1)Nc1ccncc1 ZINC000032725967 563384985 /nfs/dbraw/zinc/38/49/85/563384985.db2.gz RNCWVIXLNQWOAT-UHFFFAOYSA-N 0 0 318.376 3.826 50 0 DHAARN Cc1cccnc1NC(=O)c1cnc2c(Cl)cccc2c1O ZINC000013692281 563386074 /nfs/dbraw/zinc/38/60/74/563386074.db2.gz YKRNZNLYWMSFQG-UHFFFAOYSA-N 0 0 313.744 3.550 50 0 DHAARN CCSc1nnc(NC(=O)c2csc(C)c2CC)s1 ZINC000013746599 563388554 /nfs/dbraw/zinc/38/85/54/563388554.db2.gz JVXPUCCHROLCJU-UHFFFAOYSA-N 0 0 313.473 3.835 50 0 DHAARN COC(=O)c1cc(-c2ccco2)nc2c1cnn2C1CCCC1 ZINC000032743359 563388982 /nfs/dbraw/zinc/38/89/82/563388982.db2.gz CWJACKYTHRWWPK-UHFFFAOYSA-N 0 0 311.341 3.593 50 0 DHAARN CC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(F)cc2)CCCC1 ZINC000032743643 563388990 /nfs/dbraw/zinc/38/89/90/563388990.db2.gz NZKMWVQURFSQTR-UHFFFAOYSA-N 0 0 320.408 3.629 50 0 DHAARN CCN(C(=O)c1cc(=O)c2cc(C)ccc2o1)c1ccccc1 ZINC000032737950 563389314 /nfs/dbraw/zinc/38/93/14/563389314.db2.gz HOCVMUSJKIPFFR-UHFFFAOYSA-N 0 0 307.349 3.768 50 0 DHAARN Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)c(C)n1C1CC1 ZINC000032738191 563389393 /nfs/dbraw/zinc/38/93/93/563389393.db2.gz XEULOADRJCVPPS-QGZVFWFLSA-N 0 0 310.397 3.693 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc3ncccc32)c1C ZINC000032750115 563389441 /nfs/dbraw/zinc/38/94/41/563389441.db2.gz WJFHAVNKEOKMPE-UHFFFAOYSA-N 0 0 307.353 3.635 50 0 DHAARN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000032738304 563389464 /nfs/dbraw/zinc/38/94/64/563389464.db2.gz PVLQSYDZAWGWLS-KGLIPLIRSA-N 0 0 323.396 3.516 50 0 DHAARN C[C@@H](NC(=O)CCc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000032738020 563389626 /nfs/dbraw/zinc/38/96/26/563389626.db2.gz JCCFKAUTVHSNNX-RRCMXIFQSA-N 0 0 312.457 3.735 50 0 DHAARN O=C(NCCCOC1CCCCC1)c1c[nH]c2ccccc12 ZINC000032748271 563390221 /nfs/dbraw/zinc/39/02/21/563390221.db2.gz DHNVXXMPINYAKX-UHFFFAOYSA-N 0 0 300.402 3.637 50 0 DHAARN CCC(CC)N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1 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563414303 /nfs/dbraw/zinc/41/43/03/563414303.db2.gz NGVKNDPEWHMTOV-UHFFFAOYSA-N 0 0 311.429 3.644 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(O)c2C)c(C)c1 ZINC000032935316 563415032 /nfs/dbraw/zinc/41/50/32/563415032.db2.gz YFZJVEIILVGQHR-UHFFFAOYSA-N 0 0 319.426 3.735 50 0 DHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC2(F)F)CC1 ZINC000650599541 563415410 /nfs/dbraw/zinc/41/54/10/563415410.db2.gz TWSJWZPFEVUMKX-UHFFFAOYSA-N 0 0 319.273 3.967 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000032940481 563416415 /nfs/dbraw/zinc/41/64/15/563416415.db2.gz FPHLYZUEMAZSGJ-CYBMUJFWSA-N 0 0 321.355 3.603 50 0 DHAARN Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1C ZINC000010677298 563416942 /nfs/dbraw/zinc/41/69/42/563416942.db2.gz QPXHGQPDUREISX-SFHVURJKSA-N 0 0 315.438 3.733 50 0 DHAARN O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccccc1Cl ZINC000010677494 563416957 /nfs/dbraw/zinc/41/69/57/563416957.db2.gz OVZRQAVIFBTRBN-MRXNPFEDSA-N 0 0 321.829 3.770 50 0 DHAARN COc1cccc2cc(-c3csc(NC(=O)C4CC4)n3)oc21 ZINC000010748184 563417641 /nfs/dbraw/zinc/41/76/41/563417641.db2.gz RJPDWRPUHHBCQA-UHFFFAOYSA-N 0 0 314.366 3.913 50 0 DHAARN CCc1nnc(NC(=O)c2cc3c([nH]2)c(C)c(C)cc3C)s1 ZINC000021289586 563417768 /nfs/dbraw/zinc/41/77/68/563417768.db2.gz ITCVGFDSBQFLGD-UHFFFAOYSA-N 0 0 314.414 3.759 50 0 DHAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)NCC(C)C)cc1 ZINC000032944418 563418267 /nfs/dbraw/zinc/41/82/67/563418267.db2.gz ISQBVQVLEINGCI-UHFFFAOYSA-N 0 0 319.408 3.991 50 0 DHAARN c1cn(Cc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 ZINC000010809849 563418501 /nfs/dbraw/zinc/41/85/01/563418501.db2.gz NNUIEEDVJFTBCC-UHFFFAOYSA-N 0 0 300.365 3.784 50 0 DHAARN Cc1ccc(Oc2ccccc2NC(=O)Cn2ccnc2)cc1 ZINC000010809890 563418588 /nfs/dbraw/zinc/41/85/88/563418588.db2.gz UAMGTIRICFTJLL-UHFFFAOYSA-N 0 0 307.353 3.623 50 0 DHAARN O=C(Nc1ccc2c(c1)CC(=O)N2)c1cccc2ccccc21 ZINC000010826297 563419085 /nfs/dbraw/zinc/41/90/85/563419085.db2.gz ZWUKWPGDQNEGOJ-UHFFFAOYSA-N 0 0 302.333 3.587 50 0 DHAARN Cc1cc(N2CCCC[C@H]2CCO)nc2cc(Cl)ccc12 ZINC000023633936 563419943 /nfs/dbraw/zinc/41/99/43/563419943.db2.gz SCGMPHUURFTDDD-AWEZNQCLSA-N 0 0 304.821 3.938 50 0 DHAARN CC(C)n1nccc1NC(=O)N(C)Cc1c(F)cccc1Cl ZINC000043451056 563420670 /nfs/dbraw/zinc/42/06/70/563420670.db2.gz NEBNJGIZEPMESC-UHFFFAOYSA-N 0 0 324.787 3.920 50 0 DHAARN O=C(Nc1cccc(-c2nnco2)c1)c1ccc2c(c1)CCCC2 ZINC000024736338 563421163 /nfs/dbraw/zinc/42/11/63/563421163.db2.gz IWMQHYPGAPVIQD-UHFFFAOYSA-N 0 0 319.364 3.868 50 0 DHAARN Cc1cc(C(=O)NOCc2ccccc2)c(C)n1Cc1ccco1 ZINC000025283942 563422311 /nfs/dbraw/zinc/42/23/11/563422311.db2.gz BAAFOLZRBMOOGN-UHFFFAOYSA-N 0 0 324.380 3.608 50 0 DHAARN Cc1cc(COC(=O)C2c3ccccc3Oc3ccccc32)on1 ZINC000025400773 563422786 /nfs/dbraw/zinc/42/27/86/563422786.db2.gz QYIPLVFZNIFAIQ-UHFFFAOYSA-N 0 0 321.332 3.964 50 0 DHAARN CC(C)c1nnc(S[C@@H](C)c2nc(-c3cccs3)no2)[nH]1 ZINC000026036261 563424162 /nfs/dbraw/zinc/42/41/62/563424162.db2.gz BQCIPUAXNMXOIJ-QMMMGPOBSA-N 0 0 321.431 3.893 50 0 DHAARN CCCn1c(C)c(C(=O)NCC2CC2)c2cc(OC)ccc21 ZINC000026206430 563424880 /nfs/dbraw/zinc/42/48/80/563424880.db2.gz QWYNJMTWWAQFGU-UHFFFAOYSA-N 0 0 300.402 3.508 50 0 DHAARN O=C(NCc1ccc(Cl)s1)N[C@@H]1CCOc2ccccc21 ZINC000026167317 563425220 /nfs/dbraw/zinc/42/52/20/563425220.db2.gz LMPNMRSXCSQFKU-GFCCVEGCSA-N 0 0 322.817 3.725 50 0 DHAARN Clc1ccc2nc(CSc3ncc4ccccn43)cn2c1 ZINC000026371635 563426158 /nfs/dbraw/zinc/42/61/58/563426158.db2.gz KJGSTCWFOZKOGH-UHFFFAOYSA-N 0 0 314.801 3.928 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 ZINC000026894592 563426855 /nfs/dbraw/zinc/42/68/55/563426855.db2.gz MPUGPCIUJYVPNB-IRXDYDNUSA-N 0 0 308.360 3.872 50 0 DHAARN CC(C)c1ncc2c(n1)CN(Cc1nc3ccccc3s1)CC2 ZINC000072268529 563427788 /nfs/dbraw/zinc/42/77/88/563427788.db2.gz NNKDPRNALAVCFB-UHFFFAOYSA-N 0 0 324.453 3.768 50 0 DHAARN CC(=O)N1CCCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000027565529 563427875 /nfs/dbraw/zinc/42/78/75/563427875.db2.gz YZUGQTLMBONINJ-UHFFFAOYSA-N 0 0 322.861 3.609 50 0 DHAARN CCCC(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027794265 563430060 /nfs/dbraw/zinc/43/00/60/563430060.db2.gz QVESTMGHIHVPPX-UHFFFAOYSA-N 0 0 309.163 3.843 50 0 DHAARN CCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)s1 ZINC000027794639 563430230 /nfs/dbraw/zinc/43/02/30/563430230.db2.gz CYYZOHQAXKTHEN-GFCCVEGCSA-N 0 0 319.430 3.513 50 0 DHAARN O=C(CCC1CCCC1)NCc1ccccc1Cn1cccn1 ZINC000028793885 563432682 /nfs/dbraw/zinc/43/26/82/563432682.db2.gz SLOQPMYINJYHJC-UHFFFAOYSA-N 0 0 311.429 3.518 50 0 DHAARN CCCCc1noc([C@@H](C)Oc2ccc(NC(=O)OC)cc2)n1 ZINC000070040456 563432972 /nfs/dbraw/zinc/43/29/72/563432972.db2.gz LKPGWOXRAZMQQU-LLVKDONJSA-N 0 0 319.361 3.731 50 0 DHAARN CCOc1cc2c(cc1NC(=O)CCc1ccco1)O[C@H](C)C2 ZINC000029129859 563433604 /nfs/dbraw/zinc/43/36/04/563433604.db2.gz DYYUQBYMZRSFDI-GFCCVEGCSA-N 0 0 315.369 3.573 50 0 DHAARN COCc1c2ccccc2oc1C(=O)N1CCn2cccc2[C@@H]1C ZINC000029378402 563433898 /nfs/dbraw/zinc/43/38/98/563433898.db2.gz XBVPYDOLGFWNLX-ZDUSSCGKSA-N 0 0 324.380 3.598 50 0 DHAARN Oc1ccc(C2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000029530958 563434189 /nfs/dbraw/zinc/43/41/89/563434189.db2.gz DHSSHSXYYVEZRZ-UHFFFAOYSA-N 0 0 311.410 3.781 50 0 DHAARN CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@@H]1CCCc2ccccc21 ZINC000029473970 563434871 /nfs/dbraw/zinc/43/48/71/563434871.db2.gz CZRCHQBIXSUHEJ-MJGOQNOKSA-N 0 0 307.393 3.526 50 0 DHAARN Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2c1 ZINC000029550914 563435246 /nfs/dbraw/zinc/43/52/46/563435246.db2.gz WMMFMGAOEZUWAR-GFCCVEGCSA-N 0 0 310.319 3.891 50 0 DHAARN C[C@H](NC(=O)c1ccccc1Nc1ccccc1)[C@@H]1CCCO1 ZINC000029958767 563436411 /nfs/dbraw/zinc/43/64/11/563436411.db2.gz WNIIUEWFTXJANM-KSSFIOAISA-N 0 0 310.397 3.728 50 0 DHAARN CN(C)c1ccc(NC(=O)CCCSc2ccccc2)cn1 ZINC000030108256 563436766 /nfs/dbraw/zinc/43/67/66/563436766.db2.gz VPQBTETWNZIOFN-UHFFFAOYSA-N 0 0 315.442 3.659 50 0 DHAARN Cc1cccc(CN[C@H](c2nccn2C)c2cccc(F)c2)c1 ZINC000030645411 563437460 /nfs/dbraw/zinc/43/74/60/563437460.db2.gz SMEMXWBOYFKXAQ-SFHVURJKSA-N 0 0 309.388 3.747 50 0 DHAARN O=C(Nc1ccc(Cl)cc1F)c1cccc(-c2ncon2)c1 ZINC000072292842 563437606 /nfs/dbraw/zinc/43/76/06/563437606.db2.gz ILINMHMXZHJHSZ-UHFFFAOYSA-N 0 0 317.707 3.781 50 0 DHAARN Clc1cnc(OCCCCCN2CCSC2)c(Cl)c1 ZINC000031600896 563440756 /nfs/dbraw/zinc/44/07/56/563440756.db2.gz PWOFRZGNMNURPU-UHFFFAOYSA-N 0 0 321.273 3.944 50 0 DHAARN O=C(Cn1ccc2ccc(F)cc21)Nc1cccc2ncccc21 ZINC000032074860 563441269 /nfs/dbraw/zinc/44/12/69/563441269.db2.gz CZVOOFWXZCQFGE-UHFFFAOYSA-N 0 0 319.339 3.967 50 0 DHAARN C=Cc1cc(OC)c(OCc2ccn(C(C)C)n2)c(OC)c1 ZINC000072302606 563443358 /nfs/dbraw/zinc/44/33/58/563443358.db2.gz SWUSFCLGQLKRQE-UHFFFAOYSA-N 0 0 302.374 3.703 50 0 DHAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1cccc(F)c1)c3=O ZINC000033089084 563444676 /nfs/dbraw/zinc/44/46/76/563444676.db2.gz QGFGVBFOQBPJEJ-LLVKDONJSA-N 0 0 322.339 3.510 50 0 DHAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(C3CC3)on2)on1 ZINC000033269986 563444742 /nfs/dbraw/zinc/44/47/42/563444742.db2.gz OAKFURDDIQJVAN-CQSZACIVSA-N 0 0 315.373 3.641 50 0 DHAARN CCC(CC)(NC(=O)COc1ccc(C)cc1C)C(F)(F)F ZINC000072306387 563445259 /nfs/dbraw/zinc/44/52/59/563445259.db2.gz WYVVJXNSZPYNIK-UHFFFAOYSA-N 0 0 317.351 3.920 50 0 DHAARN CN(C(=O)Cc1cccs1)[C@@H](Cc1ccccn1)C(C)(C)C ZINC000072306470 563445309 /nfs/dbraw/zinc/44/53/09/563445309.db2.gz RTXZOAOAGRQSBI-INIZCTEOSA-N 0 0 316.470 3.801 50 0 DHAARN COc1ccc(CN(CC[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000102354 563446769 /nfs/dbraw/zinc/44/67/69/563446769.db2.gz OEFONZDTNCUOMA-INIZCTEOSA-N 0 0 319.445 3.639 50 0 biogenic DHAARN COc1cc(CNc2cc(C)ccc2C)cc(OC)c1OC ZINC000000257181 563447624 /nfs/dbraw/zinc/44/76/24/563447624.db2.gz CQEHZYXZUULZKJ-UHFFFAOYSA-N 0 0 301.386 3.941 50 0 DHAARN COc1ccccc1NC(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000000470390 563448272 /nfs/dbraw/zinc/44/82/72/563448272.db2.gz OYLXHWQXPINEBE-UHFFFAOYSA-N 0 0 310.357 3.534 50 0 DHAARN Cc1ccc(C(=O)c2ccccc2I)cc1 ZINC000034550117 563450462 /nfs/dbraw/zinc/45/04/62/563450462.db2.gz VPUXPIALMJUMLZ-UHFFFAOYSA-N 0 0 322.145 3.831 50 0 DHAARN COc1ccc(OC)c2c(C)cc(NCCc3ccccn3)nc12 ZINC000023634653 563450585 /nfs/dbraw/zinc/45/05/85/563450585.db2.gz CXDPXPUAPFNXQZ-UHFFFAOYSA-N 0 0 323.396 3.610 50 0 DHAARN COCCCNC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 ZINC000035561719 563453462 /nfs/dbraw/zinc/45/34/62/563453462.db2.gz FIGUROVIIHKDGC-KRWDZBQOSA-N 0 0 304.434 3.658 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 ZINC000036359233 563454812 /nfs/dbraw/zinc/45/48/12/563454812.db2.gz KEWLLQQZMIZEOF-UHFFFAOYSA-N 0 0 323.377 3.660 50 0 DHAARN CCNc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccn1 ZINC000072311859 563454874 /nfs/dbraw/zinc/45/48/74/563454874.db2.gz QHIYGTLJMHUQJP-UHFFFAOYSA-N 0 0 322.368 3.784 50 0 DHAARN Cc1ccccc1CC(=O)Nc1cccc(NC(=O)C2CC2)c1C ZINC000036568031 563455326 /nfs/dbraw/zinc/45/53/26/563455326.db2.gz ADUXRZAVFIJGLL-UHFFFAOYSA-N 0 0 322.408 3.833 50 0 DHAARN Cc1cccc(C(=O)N2CCSc3ncccc32)c1Cl ZINC000119143416 563457144 /nfs/dbraw/zinc/45/71/44/563457144.db2.gz NOJWLMGOYYVQSR-UHFFFAOYSA-N 0 0 304.802 3.796 50 0 DHAARN CCCNC(=O)Nc1ccc(-c2noc(-c3ccco3)n2)cc1 ZINC000032996251 563459367 /nfs/dbraw/zinc/45/93/67/563459367.db2.gz DCGFROSGKNDCFM-UHFFFAOYSA-N 0 0 312.329 3.528 50 0 DHAARN CCc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 ZINC000032996309 563459693 /nfs/dbraw/zinc/45/96/93/563459693.db2.gz AMQRNNGZBCDIKO-UHFFFAOYSA-N 0 0 308.341 3.943 50 0 DHAARN COc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccc3)c2c1 ZINC000000003346 563460324 /nfs/dbraw/zinc/46/03/24/563460324.db2.gz IYDXCCUTILFHLE-JXMROGBWSA-N 0 0 320.392 3.549 50 0 biogenic DHAARN C[C@@H](NC(=O)c1cn2cc(Cl)ccc2n1)c1ccc(F)cc1 ZINC000097939045 563461013 /nfs/dbraw/zinc/46/10/13/563461013.db2.gz SJPKQAIKTTYLQC-SNVBAGLBSA-N 0 0 317.751 3.618 50 0 DHAARN CC1=C(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)CCCO1 ZINC000119290551 563461578 /nfs/dbraw/zinc/46/15/78/563461578.db2.gz XCBVFEBSMVWKIQ-SJKOYZFVSA-N 0 0 315.413 3.978 50 0 DHAARN COc1ccc(Cl)cc1C(=O)OCCOc1ccccc1F ZINC000008040212 563461614 /nfs/dbraw/zinc/46/16/14/563461614.db2.gz PTCQPVWCDMQUMQ-UHFFFAOYSA-N 0 0 324.735 3.724 50 0 DHAARN CCOc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000044911312 563464453 /nfs/dbraw/zinc/46/44/53/563464453.db2.gz AFTAQIPACXHRDA-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)on1 ZINC000047334150 563465954 /nfs/dbraw/zinc/46/59/54/563465954.db2.gz CZQILRMFUOUSOG-ZDUSSCGKSA-N 0 0 307.300 3.630 50 0 DHAARN COc1ccc2cc(CNC(=O)COc3ccccc3)ccc2c1 ZINC000011124059 563468388 /nfs/dbraw/zinc/46/83/88/563468388.db2.gz MABJIZBETJNFQC-UHFFFAOYSA-N 0 0 321.376 3.544 50 0 DHAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)c1 ZINC000051529132 563469086 /nfs/dbraw/zinc/46/90/86/563469086.db2.gz HDINZITWNAHEPS-UHFFFAOYSA-N 0 0 322.408 3.792 50 0 DHAARN COc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])cc1Cl ZINC000086755534 563469229 /nfs/dbraw/zinc/46/92/29/563469229.db2.gz KSIBCNRAEWXHEJ-CYBMUJFWSA-N 0 0 311.809 3.568 50 0 DHAARN C/C=C/CC(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000055099992 563470639 /nfs/dbraw/zinc/47/06/39/563470639.db2.gz IIGCFNUEOZVAMS-ONEGZZNKSA-N 0 0 324.380 3.852 50 0 DHAARN CCc1csc(CNCc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000055089801 563470705 /nfs/dbraw/zinc/47/07/05/563470705.db2.gz LCHUPLGSHDEFJF-UHFFFAOYSA-N 0 0 316.405 3.525 50 0 DHAARN OCc1ccc(CN(Cc2ccsc2)Cc2ccco2)o1 ZINC000055270955 563473606 /nfs/dbraw/zinc/47/36/06/563473606.db2.gz ZNPCCQSSRGKZTQ-UHFFFAOYSA-N 0 0 303.383 3.629 50 0 DHAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cn(C)c3ccccc23)c1 ZINC000055371183 563474380 /nfs/dbraw/zinc/47/43/80/563474380.db2.gz LOVDOJKOCCQPFX-OAHLLOKOSA-N 0 0 321.424 3.585 50 0 DHAARN Cc1nc2sccc2c(N2CCC([C@H](O)CC(C)C)CC2)n1 ZINC000055360919 563474712 /nfs/dbraw/zinc/47/47/12/563474712.db2.gz AVTQYJZMSJINPA-OAHLLOKOSA-N 0 0 319.474 3.623 50 0 DHAARN CC[C@@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1ccccc1 ZINC000055403683 563475044 /nfs/dbraw/zinc/47/50/44/563475044.db2.gz XLRPBRXPCSBTLL-GOSISDBHSA-N 0 0 312.413 3.544 50 0 DHAARN COCc1cc(CNc2cc(C)c3ccc(Cl)cc3n2)[nH]n1 ZINC000055393281 563475252 /nfs/dbraw/zinc/47/52/52/563475252.db2.gz AERMXJXTICMRIP-UHFFFAOYSA-N 0 0 316.792 3.678 50 0 DHAARN Cc1nsc(NC(=O)N2CCCC[C@H]2c2cccc(F)c2)n1 ZINC000055401596 563475288 /nfs/dbraw/zinc/47/52/88/563475288.db2.gz QSGVIGWOGMEOHF-ZDUSSCGKSA-N 0 0 320.393 3.745 50 0 DHAARN COc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543178 563475899 /nfs/dbraw/zinc/47/58/99/563475899.db2.gz GPSMKXAAVXUMST-UHFFFAOYSA-N 0 0 316.832 3.671 50 0 DHAARN Cc1ccccc1N1CCN(Cc2ccccc2Cl)CC1 ZINC000055543431 563476513 /nfs/dbraw/zinc/47/65/13/563476513.db2.gz ASGMIDJPEYJPBI-UHFFFAOYSA-N 0 0 300.833 3.971 50 0 DHAARN COc1ccc(CN[C@H](C)c2ccccn2)c(Cl)c1OC ZINC000078603725 563476883 /nfs/dbraw/zinc/47/68/83/563476883.db2.gz NNNXHUQAPASPGG-LLVKDONJSA-N 0 0 306.793 3.603 50 0 DHAARN CCOc1ccc(CNc2nc3ccccc3n2C)cc1OC ZINC000004624608 563478123 /nfs/dbraw/zinc/47/81/23/563478123.db2.gz CSAOBZUZROHRFN-UHFFFAOYSA-N 0 0 311.385 3.593 50 0 DHAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccc[nH]1 ZINC000058391741 563478471 /nfs/dbraw/zinc/47/84/71/563478471.db2.gz GFCOFFUSEXIPBN-UHFFFAOYSA-N 0 0 320.396 3.806 50 0 DHAARN C[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)c2ccccc21 ZINC000058407701 563478587 /nfs/dbraw/zinc/47/85/87/563478587.db2.gz GUWLKLNBBSCUHP-CYBMUJFWSA-N 0 0 309.365 3.612 50 0 DHAARN Cc1cc(NC(=O)c2sccc2-c2ccc(F)cc2)n(C)n1 ZINC000058342346 563478696 /nfs/dbraw/zinc/47/86/96/563478696.db2.gz SHKJKKBJOGJVHV-UHFFFAOYSA-N 0 0 315.373 3.848 50 0 DHAARN C[C@H](SC[C@H](O)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000058342115 563478921 /nfs/dbraw/zinc/47/89/21/563478921.db2.gz STWGFTSTDPDYIK-LRDDRELGSA-N 0 0 319.401 3.620 50 0 DHAARN Cc1nn(C)c(Oc2ccccc2)c1CNCc1ccoc1C ZINC000058428087 563479627 /nfs/dbraw/zinc/47/96/27/563479627.db2.gz MKIURQBPNNYHOS-UHFFFAOYSA-N 0 0 311.385 3.712 50 0 DHAARN Cc1cccc(N(C)C(=O)c2cc(Br)ccc2F)n1 ZINC000096411582 563480137 /nfs/dbraw/zinc/48/01/37/563480137.db2.gz ANDGPJUGGSWTAZ-UHFFFAOYSA-N 0 0 323.165 3.568 50 0 DHAARN Cc1cc(-c2csc(CS(C)(=O)=O)n2)c(C)c(C)c1C ZINC000096417551 563480827 /nfs/dbraw/zinc/48/08/27/563480827.db2.gz YQRIENCTKYBVNT-UHFFFAOYSA-N 0 0 309.456 3.588 50 0 DHAARN O=C1c2cccc3cccc(c23)N1CCCOCC(F)(F)F ZINC000096419515 563480980 /nfs/dbraw/zinc/48/09/80/563480980.db2.gz VPDCCGIFSXSXDE-UHFFFAOYSA-N 0 0 309.287 3.769 50 0 DHAARN Cc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(C)o1 ZINC000096426614 563481469 /nfs/dbraw/zinc/48/14/69/563481469.db2.gz AFJJCGZVSNIJPJ-UHFFFAOYSA-N 0 0 316.376 3.752 50 0 DHAARN C[C@@H](C(=O)Nc1ccc(OC2CCCC2)c(F)c1)n1ccnc1 ZINC000096426872 563481589 /nfs/dbraw/zinc/48/15/89/563481589.db2.gz BIHVUDANBHBMCF-LBPRGKRZSA-N 0 0 317.364 3.543 50 0 DHAARN Cc1ccc(NC(=O)CN2C[C@@H](C)Sc3ccccc32)cc1 ZINC000033059243 563481667 /nfs/dbraw/zinc/48/16/67/563481667.db2.gz WKRPTYYSNKNEQV-CQSZACIVSA-N 0 0 312.438 3.934 50 0 DHAARN CCOCc1ccccc1NC(=O)N1CCS[C@H](CC)C1 ZINC000096434243 563482033 /nfs/dbraw/zinc/48/20/33/563482033.db2.gz ALCVBJNMPVURGV-CQSZACIVSA-N 0 0 308.447 3.582 50 0 DHAARN O=C(CC[C@@H]1CCCO1)Nc1cccc(Oc2ccccn2)c1 ZINC000096433209 563482077 /nfs/dbraw/zinc/48/20/77/563482077.db2.gz RQDKWLMIDBGZFF-HNNXBMFYSA-N 0 0 312.369 3.772 50 0 DHAARN CC(C)c1nc(CSCc2nnc(-c3ccccc3)o2)no1 ZINC000096433437 563482176 /nfs/dbraw/zinc/48/21/76/563482176.db2.gz HPCWEZFCVONNFT-UHFFFAOYSA-N 0 0 316.386 3.676 50 0 DHAARN CCO[C@H](C)c1nc(CN2CCS[C@@H](CC)C2)cs1 ZINC000096441717 563482812 /nfs/dbraw/zinc/48/28/12/563482812.db2.gz WHGHSJUVDVVJQZ-YPMHNXCESA-N 0 0 300.493 3.568 50 0 DHAARN Cc1nnc(CS[C@@H](C)c2ccc(OC(F)F)cc2)o1 ZINC000096467845 563483794 /nfs/dbraw/zinc/48/37/94/563483794.db2.gz SVPKANZEWNOYIT-QMMMGPOBSA-N 0 0 300.330 3.974 50 0 DHAARN CCOc1ccc(CN2CCC[C@H]2c2cc(C)no2)cc1OC ZINC000064666909 563486314 /nfs/dbraw/zinc/48/63/14/563486314.db2.gz FHENGSCZZLJUFT-HNNXBMFYSA-N 0 0 316.401 3.727 50 0 DHAARN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000067649607 563488731 /nfs/dbraw/zinc/48/87/31/563488731.db2.gz RDKRKDMZSRHIKD-AWEZNQCLSA-N 0 0 310.397 3.753 50 0 DHAARN CC(C)Cc1ncc2c(n1)CN(c1ncccc1C(F)(F)F)C2 ZINC000067725724 563489739 /nfs/dbraw/zinc/48/97/39/563489739.db2.gz YITVXMTUYOMFCJ-UHFFFAOYSA-N 0 0 322.334 3.609 50 0 DHAARN Cc1ccc(C[N@H+](CCCO)Cc2c[nH]c3ccccc23)s1 ZINC000067714152 563489764 /nfs/dbraw/zinc/48/97/64/563489764.db2.gz LGUAAWCUOQRNPX-UHFFFAOYSA-N 0 0 314.454 3.922 50 0 DHAARN C(=C/c1ccccn1)\c1ccc(O[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000067713065 563489785 /nfs/dbraw/zinc/48/97/85/563489785.db2.gz OSWUNJBRKQQUHS-FKIZTMCRSA-N 0 0 306.409 3.869 50 0 DHAARN Clc1ccc2nc(N3CCC[C@H](c4cc[nH]n4)C3)ccc2c1 ZINC000067694715 563489849 /nfs/dbraw/zinc/48/98/49/563489849.db2.gz DYCMUEWLEWRHJC-ZDUSSCGKSA-N 0 0 312.804 3.995 50 0 DHAARN CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000067789047 563491222 /nfs/dbraw/zinc/49/12/22/563491222.db2.gz OASXZNNILAMJCN-SFHVURJKSA-N 0 0 312.413 3.509 50 0 DHAARN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C3(C)CC3)CC2)c1 ZINC000067805695 563491323 /nfs/dbraw/zinc/49/13/23/563491323.db2.gz HIZDTPBNRDHUIT-UHFFFAOYSA-N 0 0 323.440 3.891 50 0 DHAARN C/C(=C\c1ccccc1)[C@@H]1CC(=O)Nc2c1nc1n2CCCC1 ZINC000067965226 563493866 /nfs/dbraw/zinc/49/38/66/563493866.db2.gz 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/nfs/dbraw/zinc/49/77/92/563497792.db2.gz KPCDYBKHMZCYLW-UHFFFAOYSA-N 0 0 306.321 3.797 50 0 DHAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)cc1OC ZINC000071279774 563498449 /nfs/dbraw/zinc/49/84/49/563498449.db2.gz ACROUSODVTYVCT-GFCCVEGCSA-N 0 0 315.373 3.605 50 0 DHAARN COc1ccc(-c2nccn2CC(C)(C)OC)c(Cl)c1OC ZINC000071315591 563498807 /nfs/dbraw/zinc/49/88/07/563498807.db2.gz KBXZYXYZGVJSDJ-UHFFFAOYSA-N 0 0 324.808 3.646 50 0 DHAARN Cc1n[nH]c(C)c1CCn1ccnc1-c1ccnc2ccccc21 ZINC000071404165 563499150 /nfs/dbraw/zinc/49/91/50/563499150.db2.gz KMAXFJOGTBKCFD-UHFFFAOYSA-N 0 0 317.396 3.681 50 0 DHAARN CCC[C@@H]1c2[nH]cnc2CCN1Cc1c(F)c(F)ccc1OC ZINC000071416284 563499489 /nfs/dbraw/zinc/49/94/89/563499489.db2.gz ZAXPNVFYYHQYDD-CQSZACIVSA-N 0 0 321.371 3.596 50 0 DHAARN CSc1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1 ZINC000033250602 563502030 /nfs/dbraw/zinc/50/20/30/563502030.db2.gz QLHSGWZLTKCRDO-UHFFFAOYSA-N 0 0 311.366 3.711 50 0 DHAARN Cc1nc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)no1 ZINC000072149653 563502745 /nfs/dbraw/zinc/50/27/45/563502745.db2.gz SMNZCLMQVLMJDG-ZDUSSCGKSA-N 0 0 321.371 3.501 50 0 DHAARN C[C@@H](N[C@H]1CCCn2ncnc21)c1cc2cc(Cl)ccc2o1 ZINC000097034641 563504071 /nfs/dbraw/zinc/50/40/71/563504071.db2.gz VWBQIEWXRWTJRA-MFKMUULPSA-N 0 0 316.792 3.863 50 0 DHAARN Cc1cc(=O)oc2c3c(ccc12)OC(=O)/C3=C\c1ccccc1 ZINC000000034776 563506199 /nfs/dbraw/zinc/50/61/99/563506199.db2.gz JQYQJGSOIGYJAS-UVTDQMKNSA-N 0 0 304.301 3.561 50 0 DHAARN Cc1occc1-c1nnc(NCc2cnc(CC(C)C)s2)o1 ZINC000097114421 563506405 /nfs/dbraw/zinc/50/64/05/563506405.db2.gz ZRWJAVNHPOJHTE-UHFFFAOYSA-N 0 0 318.402 3.905 50 0 DHAARN O=C(c1ccc2c(c1)OCO2)N1CCCCC[C@H]1c1ccco1 ZINC000076510921 563507043 /nfs/dbraw/zinc/50/70/43/563507043.db2.gz SLFRYHVBDPCXGK-AWEZNQCLSA-N 0 0 313.353 3.766 50 0 DHAARN Cc1c(NC(=O)Nc2ccnn2C(C)C)cnn1-c1ccccc1 ZINC000097140174 563507505 /nfs/dbraw/zinc/50/75/05/563507505.db2.gz UPCXSJUESXENKY-UHFFFAOYSA-N 0 0 324.388 3.602 50 0 DHAARN C[C@H](CCC(=O)N1CCCCCC1)CC(=O)N1CCCCCC1 ZINC000097139974 563507680 /nfs/dbraw/zinc/50/76/80/563507680.db2.gz OWJFTYSLSZWPDZ-QGZVFWFLSA-N 0 0 322.493 3.598 50 0 DHAARN Cn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 ZINC000000041267 563508177 /nfs/dbraw/zinc/50/81/77/563508177.db2.gz PTBOVXACVWXRBG-UHFFFAOYSA-N 0 0 305.403 3.975 50 0 DHAARN COc1ccc(F)c(Cn2ccnc2-c2cccc(O)c2)c1F ZINC000077284955 563508229 /nfs/dbraw/zinc/50/82/29/563508229.db2.gz PBZDXSZMHVKAJD-UHFFFAOYSA-N 0 0 316.307 3.591 50 0 DHAARN COc1ncccc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077406836 563509762 /nfs/dbraw/zinc/50/97/62/563509762.db2.gz BVWSVIMVVGMIPP-MRXNPFEDSA-N 0 0 314.360 3.597 50 0 DHAARN O=C(c1ccc(CO)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077406843 563509924 /nfs/dbraw/zinc/50/99/24/563509924.db2.gz YWBXLELHNHQJMK-GOSISDBHSA-N 0 0 313.372 3.685 50 0 DHAARN Cc1csc(N2CCC[C@@H](COc3ccc(F)cc3)C2)n1 ZINC000077565644 563511616 /nfs/dbraw/zinc/51/16/16/563511616.db2.gz REIJLFMQIDGAJQ-CYBMUJFWSA-N 0 0 306.406 3.886 50 0 DHAARN CCCn1nccc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077536380 563512138 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563519267 /nfs/dbraw/zinc/51/92/67/563519267.db2.gz MQKZWIVEWRVJAR-CYBMUJFWSA-N 0 0 313.401 3.578 50 0 DHAARN O=C(Cc1csc(COc2ccccc2)n1)Nc1ccccc1 ZINC000033326217 563521987 /nfs/dbraw/zinc/52/19/87/563521987.db2.gz XYRWSEGFIUARRW-UHFFFAOYSA-N 0 0 324.405 3.903 50 0 DHAARN O=C(Cc1c(F)cccc1Cl)NCc1ccc(C2CC2)nc1 ZINC000585150460 563522105 /nfs/dbraw/zinc/52/21/05/563522105.db2.gz XGNKUAHQUQXXMD-UHFFFAOYSA-N 0 0 318.779 3.610 50 0 DHAARN c1nc2ccccc2n1[C@@H]1CCN(c2cc(C3CCC3)ncn2)C1 ZINC000585149344 563522132 /nfs/dbraw/zinc/52/21/32/563522132.db2.gz KOZZWAKUHDATCW-OAHLLOKOSA-N 0 0 319.412 3.545 50 0 DHAARN Cc1cnc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)s1 ZINC000011367444 563522717 /nfs/dbraw/zinc/52/27/17/563522717.db2.gz CLQBKBIPHDNOKK-UHFFFAOYSA-N 0 0 314.410 3.542 50 0 DHAARN O=C(COc1ccccc1Cl)Nc1nc2ccccc2s1 ZINC000000076457 563523272 /nfs/dbraw/zinc/52/32/72/563523272.db2.gz MYYPWTRHERXSGL-UHFFFAOYSA-N 0 0 318.785 3.967 50 0 DHAARN CCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1nccs1 ZINC000008907493 563524581 /nfs/dbraw/zinc/52/45/81/563524581.db2.gz NCEYLVBKHPHKQP-NSHDSACASA-N 0 0 317.414 3.770 50 0 DHAARN COc1ccc([C@@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)cc1 ZINC000000082513 563524594 /nfs/dbraw/zinc/52/45/94/563524594.db2.gz BGDJFYJNEWNEEI-HNNXBMFYSA-N 0 0 316.397 3.839 50 0 DHAARN COc1ccc([C@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)cc1 ZINC000000082509 563524859 /nfs/dbraw/zinc/52/48/59/563524859.db2.gz BGDJFYJNEWNEEI-OAHLLOKOSA-N 0 0 316.397 3.839 50 0 DHAARN COc1ccnc(NCc2ccccc2COc2ccccc2)n1 ZINC000011380896 563525023 /nfs/dbraw/zinc/52/50/23/563525023.db2.gz UHVUGBCALXNKFE-UHFFFAOYSA-N 0 0 321.380 3.676 50 0 DHAARN Clc1cc(N2CCCCCC2)nc(N2CCCCCC2)n1 ZINC000000087035 563526294 /nfs/dbraw/zinc/52/62/94/563526294.db2.gz BPKIYVGDYHFEED-UHFFFAOYSA-N 0 0 308.857 3.891 50 0 DHAARN Cc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000072289147 563527002 /nfs/dbraw/zinc/52/70/02/563527002.db2.gz OSOHUDPRXCEJLB-GOSISDBHSA-N 0 0 310.397 3.725 50 0 DHAARN C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000011454877 563527005 /nfs/dbraw/zinc/52/70/05/563527005.db2.gz WKYLXKCKTCUFEP-NSHDSACASA-N 0 0 321.829 3.929 50 0 DHAARN OCCc1ccc(NCc2sccc2Br)cc1 ZINC000133318532 563527623 /nfs/dbraw/zinc/52/76/23/563527623.db2.gz FWWIRFCKIMYSCS-UHFFFAOYSA-N 0 0 312.232 3.658 50 0 DHAARN O=C(NCc1ccc(OC(F)F)cc1)c1cc2ccccc2[nH]1 ZINC000011509066 563528320 /nfs/dbraw/zinc/52/83/20/563528320.db2.gz GXYFPKNFXSMFST-UHFFFAOYSA-N 0 0 316.307 3.699 50 0 DHAARN Cc1noc2nc(C)nc(NC3(c4cccc(Cl)c4)CC3)c12 ZINC000095355590 563528918 /nfs/dbraw/zinc/52/89/18/563528918.db2.gz YDEBLAXGWZOCDR-UHFFFAOYSA-N 0 0 314.776 3.989 50 0 DHAARN CCc1csc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000095883349 563530864 /nfs/dbraw/zinc/53/08/64/563530864.db2.gz NSPXVKLJYUMUON-UHFFFAOYSA-N 0 0 311.451 3.517 50 0 DHAARN COc1ccc([C@H](C)Nc2nc3c(s2)c(C)nn3C)cc1F ZINC000096132681 563533063 /nfs/dbraw/zinc/53/30/63/563533063.db2.gz QPOLIZNUDQJLRL-QMMMGPOBSA-N 0 0 320.393 3.659 50 0 DHAARN CCN(C[C@H]1CCCCO1)C(=O)Nc1cccc2cnccc21 ZINC000096138467 563534008 /nfs/dbraw/zinc/53/40/08/563534008.db2.gz SCXVNAMQOPFJFE-OAHLLOKOSA-N 0 0 313.401 3.658 50 0 DHAARN CSc1ccc(CNc2nccc(-c3cccnc3)n2)cc1 ZINC000096150283 563534083 /nfs/dbraw/zinc/53/40/83/563534083.db2.gz JVPBYARPUFWFAW-UHFFFAOYSA-N 0 0 308.410 3.873 50 0 DHAARN COc1cc2cccnc2c(NC(=O)N2CCC(F)(F)CC2)c1 ZINC000096139320 563534134 /nfs/dbraw/zinc/53/41/34/563534134.db2.gz HLNJGAAYILUUNU-UHFFFAOYSA-N 0 0 321.327 3.506 50 0 DHAARN Cc1cc(C)c(NC(=O)NCCC[C@H]2CCOC2)c(Cl)c1 ZINC000096139581 563534159 /nfs/dbraw/zinc/53/41/59/563534159.db2.gz JHMNIEGISFMMGX-ZDUSSCGKSA-N 0 0 310.825 3.895 50 0 DHAARN CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H]1CCOC(C)(C)C1 ZINC000096150005 563534268 /nfs/dbraw/zinc/53/42/68/563534268.db2.gz QNALLPCIODKYRF-MRXNPFEDSA-N 0 0 318.417 3.701 50 0 DHAARN CCO[C@@H](C)c1ccc(-c2ccc(-n3cnnc3)nc2C)cc1 ZINC000096161407 563534525 /nfs/dbraw/zinc/53/45/25/563534525.db2.gz PEKWEYAFQINLHI-AWEZNQCLSA-N 0 0 308.385 3.735 50 0 DHAARN CC(C)CN(Cc1ccncc1)C(=O)Nc1cccnc1Cl ZINC000096162444 563534949 /nfs/dbraw/zinc/53/49/49/563534949.db2.gz LFOWFKMQLMVRFF-UHFFFAOYSA-N 0 0 318.808 3.820 50 0 DHAARN COc1cccc([C@@H]2CCN2C(=O)c2ccc3ncsc3c2)c1 ZINC000097272560 563538361 /nfs/dbraw/zinc/53/83/61/563538361.db2.gz BCKLAIFHKVQETI-INIZCTEOSA-N 0 0 324.405 3.892 50 0 DHAARN COc1cc(C(=O)N[C@H](C)C2=CCCCC2)c2ccccc2n1 ZINC000097324033 563538878 /nfs/dbraw/zinc/53/88/78/563538878.db2.gz NQDSTWOPOAGXHR-CYBMUJFWSA-N 0 0 310.397 3.862 50 0 DHAARN CC[C@H](c1cccnc1)N(C)C(=O)c1c(C)nc2cc(C)ccn21 ZINC000097506094 563539517 /nfs/dbraw/zinc/53/95/17/563539517.db2.gz BPXYFLRTBJDMCJ-MRXNPFEDSA-N 0 0 322.412 3.569 50 0 DHAARN Cc1nc([C@H](C)N(C)Cc2nc3ccccc3[nH]2)c(C)s1 ZINC000097522076 563540054 /nfs/dbraw/zinc/54/00/54/563540054.db2.gz AJUCJKMNLPUNAA-JTQLQIEISA-N 0 0 300.431 3.829 50 0 DHAARN Cc1nc([C@@H](C)N(C)Cc2nc3ccccc3[nH]2)c(C)s1 ZINC000097522074 563540061 /nfs/dbraw/zinc/54/00/61/563540061.db2.gz AJUCJKMNLPUNAA-SNVBAGLBSA-N 0 0 300.431 3.829 50 0 DHAARN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1ccc2cc(Cl)ccc2n1 ZINC000097654036 563541308 /nfs/dbraw/zinc/54/13/08/563541308.db2.gz CVZGXEHUKPDFET-HNNXBMFYSA-N 0 0 318.804 3.717 50 0 DHAARN COc1ccc(C)cc1-c1cc(C(=O)N2CCCCC2)ccn1 ZINC000097717319 563541663 /nfs/dbraw/zinc/54/16/63/563541663.db2.gz NYGYAOZPADYMLL-UHFFFAOYSA-N 0 0 310.397 3.692 50 0 DHAARN Cc1cc([C@@H]2CCCCN2Cc2cccc(-n3cccn3)c2)no1 ZINC000097696248 563541687 /nfs/dbraw/zinc/54/16/87/563541687.db2.gz IQJSGKLGEQYEPS-IBGZPJMESA-N 0 0 322.412 3.896 50 0 DHAARN Cc1cccc2nc(C(=O)N3CCCCC[C@H]3c3ccco3)cn21 ZINC000097743544 563541951 /nfs/dbraw/zinc/54/19/51/563541951.db2.gz JMTVVMFKPWVRGN-INIZCTEOSA-N 0 0 323.396 3.993 50 0 DHAARN COC(=O)CCCCn1ccc2cc(Br)ccc21 ZINC000097757321 563542340 /nfs/dbraw/zinc/54/23/40/563542340.db2.gz IZOUWBIIJORAMD-UHFFFAOYSA-N 0 0 310.191 3.747 50 0 DHAARN CCc1cc(Cl)ccc1NC(=O)N1CCCCC[C@H]1CO ZINC000097819718 563542485 /nfs/dbraw/zinc/54/24/85/563542485.db2.gz CJPFUXUMVJWUMO-AWEZNQCLSA-N 0 0 310.825 3.671 50 0 DHAARN CC(C)Oc1ccc(-c2ncccc2C(=O)N2CCCC2)cc1 ZINC000097823312 563542749 /nfs/dbraw/zinc/54/27/49/563542749.db2.gz FPQVNSWZRIITFX-UHFFFAOYSA-N 0 0 310.397 3.772 50 0 DHAARN Cc1nc2c(s1)CCC[C@@H]2Nc1nccc(-c2ccccn2)n1 ZINC000097785356 563542798 /nfs/dbraw/zinc/54/27/98/563542798.db2.gz MDKWEXNTSBWQIN-AWEZNQCLSA-N 0 0 323.425 3.793 50 0 DHAARN Nc1c2cccnc2sc1C(=O)c1ccc2c(c1)CCCC2 ZINC000098063811 563543861 /nfs/dbraw/zinc/54/38/61/563543861.db2.gz QRTXYKIDFQFNCQ-UHFFFAOYSA-N 0 0 308.406 3.988 50 0 DHAARN O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000100548585 563551817 /nfs/dbraw/zinc/55/18/17/563551817.db2.gz IXKILPKLNITMJR-USTZCAOPSA-N 0 0 307.393 3.703 50 0 DHAARN CC1C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)C1=O ZINC000101073462 563556258 /nfs/dbraw/zinc/55/62/58/563556258.db2.gz YEVSIRVXQAYMTB-GFCCVEGCSA-N 0 0 311.175 3.905 50 0 DHAARN O=C(NC[C@@H]1CCCO1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014129374 563560064 /nfs/dbraw/zinc/56/00/64/563560064.db2.gz SPIFTYYQAFAFOP-KRWDZBQOSA-N 0 0 315.344 3.527 50 0 DHAARN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000014291440 563565404 /nfs/dbraw/zinc/56/54/04/563565404.db2.gz CMWXKRNMHYRSPC-UHFFFAOYSA-N 0 0 316.209 3.935 50 0 DHAARN O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046495270 563565535 /nfs/dbraw/zinc/56/55/35/563565535.db2.gz RICBWWONIQARDJ-RFGFWPKPSA-N 0 0 319.367 3.525 50 0 DHAARN Clc1cc(Cn2cnc3ccccc32)c2c(c1)COCO2 ZINC000000108780 563570181 /nfs/dbraw/zinc/57/01/81/563570181.db2.gz WYPDTCGQDBNCKA-UHFFFAOYSA-N 0 0 300.745 3.605 50 0 DHAARN CCc1ccc(NC(=O)c2cc3cccc(OC)c3oc2=O)cc1 ZINC000000105709 563570296 /nfs/dbraw/zinc/57/02/96/563570296.db2.gz ICDDRKBZGADQDA-UHFFFAOYSA-N 0 0 323.348 3.616 50 0 DHAARN CCc1c2c(nn1-c1cc(Cl)ccc1OC)CCCC2=O ZINC000000107075 563570346 /nfs/dbraw/zinc/57/03/46/563570346.db2.gz ZTHQOAUOFARUBH-UHFFFAOYSA-N 0 0 304.777 3.616 50 0 DHAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000000130742 563572076 /nfs/dbraw/zinc/57/20/76/563572076.db2.gz BGBKWKZXMSNKRK-PKNBQFBNSA-N 0 0 323.392 3.807 50 0 DHAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccs1 ZINC000000130780 563572296 /nfs/dbraw/zinc/57/22/96/563572296.db2.gz HFDPJRIYDMIBAI-UHFFFAOYSA-N 0 0 309.774 3.505 50 0 DHAARN O=C(/C=C/c1coc2ccccc2c1=O)Nc1ccc(F)cc1 ZINC000000150073 563573184 /nfs/dbraw/zinc/57/31/84/563573184.db2.gz FGSUNQSFQGNJAM-BJMVGYQFSA-N 0 0 309.296 3.584 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000000145404 563573195 /nfs/dbraw/zinc/57/31/95/563573195.db2.gz BFJBOFZAPIEZCG-HNNXBMFYSA-N 0 0 317.772 3.735 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(Nc2cc(C)ccc2O)n1 ZINC000000145915 563573282 /nfs/dbraw/zinc/57/32/82/563573282.db2.gz FPFDJKJYKGWBHL-UHFFFAOYSA-N 0 0 323.352 3.564 50 0 DHAARN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)c(OC)c1 ZINC000000147316 563573328 /nfs/dbraw/zinc/57/33/28/563573328.db2.gz FHIXDLPMOYIBGT-IEZBTEQYSA-N 0 0 311.381 3.594 50 0 DHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C ZINC000000183951 563576305 /nfs/dbraw/zinc/57/63/05/563576305.db2.gz ARHZHRUTGKCDRK-OBNKQFAMSA-N 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307.390 3.825 50 0 DHAARN CC[C@@H](C)NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000000261129 563583144 /nfs/dbraw/zinc/58/31/44/563583144.db2.gz SUOGZNAGMQJJKZ-CYBMUJFWSA-N 0 0 305.381 3.825 50 0 DHAARN O=C1O[C@@](Nc2ccc(O)cc2)(c2ccccc2)c2ccccc21 ZINC000000272448 563584386 /nfs/dbraw/zinc/58/43/86/563584386.db2.gz UFYHQVLIPONHFG-FQEVSTJZSA-N 0 0 317.344 3.876 50 0 DHAARN CCc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1 ZINC000000302172 563586853 /nfs/dbraw/zinc/58/68/53/563586853.db2.gz KMWUUXUFXWIORB-UHFFFAOYSA-N 0 0 319.360 3.837 50 0 DHAARN Cc1nc2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000313626 563587477 /nfs/dbraw/zinc/58/74/77/563587477.db2.gz XRFCFXYDIXLSJL-UHFFFAOYSA-N 0 0 322.389 3.735 50 0 DHAARN CC(C)(C)c1ccc(OCC2N=NC(=S)N2C2CC2)cc1 ZINC000011692614 563588203 /nfs/dbraw/zinc/58/82/03/563588203.db2.gz GFRMGZBJVVIKAP-UHFFFAOYSA-N 0 0 303.431 3.778 50 0 DHAARN c1coc(CNc2nc(N3CCCCC3)nc3ccccc32)c1 ZINC000000356485 563590292 /nfs/dbraw/zinc/59/02/92/563590292.db2.gz SRTQBUDNFLRBKO-UHFFFAOYSA-N 0 0 308.385 3.825 50 0 DHAARN COc1ccc2oc(=O)c(C(=O)Nc3c(C)cccc3C)cc2c1 ZINC000000368156 563590753 /nfs/dbraw/zinc/59/07/53/563590753.db2.gz HQPWZQYBRFATKH-UHFFFAOYSA-N 0 0 323.348 3.671 50 0 DHAARN Cc1sc2[nH]c(C=Cc3cccc(F)c3)nc(=O)c2c1C ZINC000033470944 563592335 /nfs/dbraw/zinc/59/23/35/563592335.db2.gz CRGRTPYNTPGYDM-SREVYHEPSA-N 0 0 300.358 3.911 50 0 DHAARN Cc1ccc(C[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000100561390 563595641 /nfs/dbraw/zinc/59/56/41/563595641.db2.gz FJFAARYSCCJBPB-QGZVFWFLSA-N 0 0 307.393 3.734 50 0 DHAARN O=C(c1c(F)ccc(F)c1F)N(CC1CC1)c1cccnc1 ZINC000121469137 563596484 /nfs/dbraw/zinc/59/64/84/563596484.db2.gz QTCLJLXRPZOMBK-UHFFFAOYSA-N 0 0 306.287 3.556 50 0 DHAARN CCc1c(C(=O)N2CCc3ccc(C)cc32)[nH]c(C)c1C(C)=O ZINC000122101211 563596790 /nfs/dbraw/zinc/59/67/90/563596790.db2.gz SEOPYVIHNZOKIP-UHFFFAOYSA-N 0 0 310.397 3.599 50 0 DHAARN N/N=c1/oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 ZINC000409422107 563597946 /nfs/dbraw/zinc/59/79/46/563597946.db2.gz SIZBUXBGAGCGIH-ZBJSNUHESA-N 0 0 324.424 3.724 50 0 DHAARN CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccccc3)cnc21 ZINC000011763291 563598920 /nfs/dbraw/zinc/59/89/20/563598920.db2.gz LGGORRZBHZIEBZ-CYBMUJFWSA-N 0 0 308.385 3.503 50 0 DHAARN CCc1nc(NC(=O)c2ccc(Br)o2)sc1C ZINC000044318239 563599557 /nfs/dbraw/zinc/59/95/57/563599557.db2.gz SCNPCEOBMHHMOA-UHFFFAOYSA-N 0 0 315.192 3.622 50 0 DHAARN CN(Cc1ccco1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000044308056 563599585 /nfs/dbraw/zinc/59/95/85/563599585.db2.gz JCXSGEVNNKIVAU-UHFFFAOYSA-N 0 0 311.341 3.962 50 0 DHAARN COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)no2)cc1 ZINC000011914931 563602240 /nfs/dbraw/zinc/60/22/40/563602240.db2.gz ZVFBNHHGQVJUMZ-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN Cc1cccc(Cn2cccc(C(=O)Nc3ccsc3)c2=O)c1 ZINC000125184979 563602262 /nfs/dbraw/zinc/60/22/62/563602262.db2.gz MJSMCSQTSNYONU-UHFFFAOYSA-N 0 0 324.405 3.519 50 0 DHAARN CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011922048 563603021 /nfs/dbraw/zinc/60/30/21/563603021.db2.gz SXJFPIDEUZHKMI-UHFFFAOYSA-N 0 0 319.408 3.737 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2cc(C)ncn2)c(C)c1 ZINC000012016727 563603385 /nfs/dbraw/zinc/60/33/85/563603385.db2.gz TYUPBSZVEWFMHQ-AWEZNQCLSA-N 0 0 315.442 3.830 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)NCC1(c2ccccc2F)CC1 ZINC000126617594 563603454 /nfs/dbraw/zinc/60/34/54/563603454.db2.gz IUCCOXVAFQTXGW-UHFFFAOYSA-N 0 0 322.383 3.698 50 0 DHAARN Cc1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012015674 563603769 /nfs/dbraw/zinc/60/37/69/563603769.db2.gz CHTPLJSOJUGNCM-UHFFFAOYSA-N 0 0 307.353 3.773 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nccs1 ZINC000008060567 563606829 /nfs/dbraw/zinc/60/68/29/563606829.db2.gz GYRDNGPBZPDZDH-UHFFFAOYSA-N 0 0 319.386 3.966 50 0 DHAARN Cc1ccccc1N1C(=O)C[C@@H](c2c[nH]c3ccccc32)C1=O ZINC000000177142 563606956 /nfs/dbraw/zinc/60/69/56/563606956.db2.gz ALSBLGNLDWLSQW-AWEZNQCLSA-N 0 0 304.349 3.523 50 0 DHAARN Cc1c(C(=O)Nc2ccsc2)cnn1-c1ccc(F)cc1F ZINC000135353404 563608849 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ZINC000046764001 563675731 /nfs/dbraw/zinc/67/57/31/563675731.db2.gz IZMCDNKOLDZEAX-OALUTQOASA-N 0 0 309.409 3.656 50 0 DHAARN c1ccc(-c2noc(-c3ccc(N4CCCCCC4)nn3)n2)cc1 ZINC000046914316 563678216 /nfs/dbraw/zinc/67/82/16/563678216.db2.gz KNIKDGLPXUQWBM-UHFFFAOYSA-N 0 0 321.384 3.574 50 0 DHAARN Cn1c2c(cccc2Cl)s/c1=N/C(=O)c1cccs1 ZINC000012180818 563681046 /nfs/dbraw/zinc/68/10/46/563681046.db2.gz RZDAGZAPQJNLGN-FYWRMAATSA-N 0 0 308.815 3.696 50 0 DHAARN COc1ccccc1NC(=O)NCc1ccc(SC)cc1 ZINC000044845635 563685771 /nfs/dbraw/zinc/68/57/71/563685771.db2.gz DLOOOUZONMPVCS-UHFFFAOYSA-N 0 0 302.399 3.739 50 0 DHAARN CCCOc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 ZINC000044845306 563685776 /nfs/dbraw/zinc/68/57/76/563685776.db2.gz PTPVPZYAGSWYKG-UHFFFAOYSA-N 0 0 302.349 3.936 50 0 DHAARN O=C(NCc1ccccn1)c1ccccc1SCc1ccco1 ZINC000044890471 563686142 /nfs/dbraw/zinc/68/61/42/563686142.db2.gz FKSDISQKLNYXRP-UHFFFAOYSA-N 0 0 324.405 3.897 50 0 DHAARN CCO[C@@H](C)c1nc(CN(C)[C@H](C)c2ccncc2)cs1 ZINC000108090780 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Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000001993307 563797533 /nfs/dbraw/zinc/79/75/33/563797533.db2.gz IELYAMCMCPEIIJ-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccccn3)ccc2c1 ZINC000012526918 563797771 /nfs/dbraw/zinc/79/77/71/563797771.db2.gz LRGQEYWHJDHISB-ZDUSSCGKSA-N 0 0 306.365 3.986 50 0 DHAARN CCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000012520506 563797811 /nfs/dbraw/zinc/79/78/11/563797811.db2.gz ZJXBMZKPKVRROM-AWEZNQCLSA-N 0 0 319.408 3.749 50 0 DHAARN Cc1ccc(-c2nnc(SCCc3ccccn3)n2C)cc1 ZINC000012533886 563798452 /nfs/dbraw/zinc/79/84/52/563798452.db2.gz WSSBNXYSVLLOPV-UHFFFAOYSA-N 0 0 310.426 3.520 50 0 DHAARN O=c1nc2n(c3c(Cl)cc(Cl)cc13)Cc1ccccc1-2 ZINC000003203897 563798910 /nfs/dbraw/zinc/79/89/10/563798910.db2.gz MJZHYPUCMNGVPM-UHFFFAOYSA-N 0 0 303.148 3.732 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1 ZINC000003217254 563798918 /nfs/dbraw/zinc/79/89/18/563798918.db2.gz RBPDUDWTAHBFDX-UHFFFAOYSA-N 0 0 309.793 3.710 50 0 DHAARN CCc1cccc(OCC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000012537830 563799275 /nfs/dbraw/zinc/79/92/75/563799275.db2.gz HVZNFZPFHGMAGN-UHFFFAOYSA-N 0 0 324.424 3.867 50 0 DHAARN O=C(CSc1nc2ccccc2[nH]1)NC1CCCCCCC1 ZINC000012540500 563799927 /nfs/dbraw/zinc/79/99/27/563799927.db2.gz WCLVTNHQPITUDQ-UHFFFAOYSA-N 0 0 317.458 3.884 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)c1c(F)cccc1Cl ZINC000003278969 563800278 /nfs/dbraw/zinc/80/02/78/563800278.db2.gz DQBJIIXDCHFQFE-UHFFFAOYSA-N 0 0 321.735 3.908 50 0 DHAARN CCc1nc2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1 ZINC000012575797 563802266 /nfs/dbraw/zinc/80/22/66/563802266.db2.gz CPNNIDTWYUCLGD-MRXNPFEDSA-N 0 0 300.789 3.986 50 0 DHAARN COc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cn1 ZINC000012593139 563802830 /nfs/dbraw/zinc/80/28/30/563802830.db2.gz WRVHRYNXODDAPO-UHFFFAOYSA-N 0 0 310.353 3.634 50 0 DHAARN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000012609243 563803500 /nfs/dbraw/zinc/80/35/00/563803500.db2.gz VLZJZBNPURWAHG-NSHDSACASA-N 0 0 308.303 3.520 50 0 DHAARN COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000012607953 563803756 /nfs/dbraw/zinc/80/37/56/563803756.db2.gz UZNOIHBITBSIHT-IBGZPJMESA-N 0 0 318.376 3.610 50 0 DHAARN COc1ccc(C(=O)N[C@H](CC(C)C)c2cccnc2)c(C)c1 ZINC000299796722 563806256 /nfs/dbraw/zinc/80/62/56/563806256.db2.gz RVIOHMATKDOODZ-GOSISDBHSA-N 0 0 312.413 3.916 50 0 DHAARN C[C@H](SCC(=O)Nc1ccccn1)c1ncc(C(C)(C)C)o1 ZINC000083125067 563807510 /nfs/dbraw/zinc/80/75/10/563807510.db2.gz ZEDRCXJGNISNEG-NSHDSACASA-N 0 0 319.430 3.800 50 0 DHAARN COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccsc2)c1C ZINC000184161282 563807674 /nfs/dbraw/zinc/80/76/74/563807674.db2.gz IHDCXJRJWWYSJA-UHFFFAOYSA-N 0 0 323.801 3.678 50 0 DHAARN COc1ccc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)cc1F ZINC000078556204 563808308 /nfs/dbraw/zinc/80/83/08/563808308.db2.gz KAVLQGDDHVFIBV-WIUDPPPLSA-N 0 0 310.365 3.983 50 0 DHAARN CC(C)(C)c1ccccc1NC(=O)N[C@H](CO)c1ccccc1 ZINC000078521933 563808684 /nfs/dbraw/zinc/80/86/84/563808684.db2.gz YOJXKSUOCAPDDG-QGZVFWFLSA-N 0 0 312.413 3.839 50 0 DHAARN C[C@H](C(=O)N1CCCSc2ccc(F)cc21)c1cccnc1 ZINC000190435891 563809053 /nfs/dbraw/zinc/80/90/53/563809053.db2.gz FRPGZPGCIDPVAT-LBPRGKRZSA-N 0 0 316.401 3.853 50 0 DHAARN O=C(Nc1ccccc1-n1ccnc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000052926409 563810654 /nfs/dbraw/zinc/81/06/54/563810654.db2.gz QNJHHPGKNQKJFO-CVEARBPZSA-N 0 0 321.355 3.754 50 0 DHAARN COc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032124097 563811625 /nfs/dbraw/zinc/81/16/25/563811625.db2.gz UDAWBYPLNRJPMH-IBGZPJMESA-N 0 0 313.397 3.911 50 0 biogenic DHAARN Cc1cccc(NC(=O)N[C@H](c2nccs2)c2ccccc2)n1 ZINC000124387523 563812191 /nfs/dbraw/zinc/81/21/91/563812191.db2.gz BBZVGHBIOFVXNA-HNNXBMFYSA-N 0 0 324.409 3.758 50 0 DHAARN CCn1nc(NCc2c[nH]nc2-c2ccc(C)o2)cc1C1CC1 ZINC000083836803 563812244 /nfs/dbraw/zinc/81/22/44/563812244.db2.gz LBTWXJYGWFWRQR-UHFFFAOYSA-N 0 0 311.389 3.684 50 0 DHAARN COCc1nc(CN2CCC(=Cc3ccccc3)CC2)cs1 ZINC000083914960 563817587 /nfs/dbraw/zinc/81/75/87/563817587.db2.gz XZNISOHUFNPCID-UHFFFAOYSA-N 0 0 314.454 3.969 50 0 DHAARN Cc1cc(N2CCCCC2)n2cc(-c3ccc(F)cc3)nc2n1 ZINC000001395360 563818071 /nfs/dbraw/zinc/81/80/71/563818071.db2.gz ODXIBXDKDHHSNW-UHFFFAOYSA-N 0 0 310.376 3.834 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cc(C)on2)o1 ZINC000073872602 563818814 /nfs/dbraw/zinc/81/88/14/563818814.db2.gz OCEXQCNDRLMMGM-NHYWBVRUSA-N 0 0 317.389 3.567 50 0 DHAARN O=C(Cc1ccccc1)OCC(=O)c1ccc2ccccc2c1 ZINC000000461875 563820213 /nfs/dbraw/zinc/82/02/13/563820213.db2.gz RFDZHVLZJXQTBR-UHFFFAOYSA-N 0 0 304.345 3.808 50 0 DHAARN COc1ccc2ccccc2c1CNc1ccn(CC(F)F)n1 ZINC000083970460 563820271 /nfs/dbraw/zinc/82/02/71/563820271.db2.gz ZEXNENIGYGYJRL-UHFFFAOYSA-N 0 0 317.339 3.922 50 0 DHAARN Cc1[nH]c2c(ccc3cccnc23)c1[C@H]1[C@H](CC(N)=O)C1(C)C ZINC000001418658 563821153 /nfs/dbraw/zinc/82/11/53/563821153.db2.gz UTXMYOXAUWPCNE-XJKSGUPXSA-N 0 0 307.397 3.640 50 0 DHAARN Cc1cc(NC(=O)c2ccc(F)cc2)n(Cc2cccc(C)c2)n1 ZINC000001431358 563823722 /nfs/dbraw/zinc/82/37/22/563823722.db2.gz BPGUHANQZZTQNC-UHFFFAOYSA-N 0 0 323.371 3.940 50 0 DHAARN CCCCOc1ccc(C(=O)NCc2cccs2)cc1OC ZINC000012758980 563824720 /nfs/dbraw/zinc/82/47/20/563824720.db2.gz XVWGVVGBNZEYDE-UHFFFAOYSA-N 0 0 319.426 3.866 50 0 DHAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3C)ccc2o1 ZINC000012753351 563824928 /nfs/dbraw/zinc/82/49/28/563824928.db2.gz RFEWHBZDSFGGIW-LBPRGKRZSA-N 0 0 309.369 3.884 50 0 DHAARN O=C(NCCOc1ccc2ccccc2c1)c1ccccc1F ZINC000012755426 563824977 /nfs/dbraw/zinc/82/49/77/563824977.db2.gz PIWQKMTWQQYHFY-UHFFFAOYSA-N 0 0 309.340 3.788 50 0 DHAARN CC(=O)Nc1cc(C(=O)N(C2CC2)C2CCCC2)ccc1C ZINC000084185574 563825143 /nfs/dbraw/zinc/82/51/43/563825143.db2.gz OZQJPNLYKQZXIR-UHFFFAOYSA-N 0 0 300.402 3.501 50 0 DHAARN Cc1cccc2nc(CNc3ccc(-c4cncnc4)cc3)cn21 ZINC000084234382 563825526 /nfs/dbraw/zinc/82/55/26/563825526.db2.gz PCHQLPJGMKYTFM-UHFFFAOYSA-N 0 0 315.380 3.712 50 0 DHAARN Cn1nc(C2CCC2)cc1NC(=O)CCCc1cccs1 ZINC000084303587 563825925 /nfs/dbraw/zinc/82/59/25/563825925.db2.gz QRBIWNNRRLWCRR-UHFFFAOYSA-N 0 0 303.431 3.711 50 0 DHAARN O=C(Nc1cccc(NC2CCCC2)c1)c1ncncc1Cl ZINC000084374457 563826445 /nfs/dbraw/zinc/82/64/45/563826445.db2.gz UBWZMODDHYPRQN-UHFFFAOYSA-N 0 0 316.792 3.737 50 0 DHAARN CC(C)[C@H](c1cccnc1)N(C)C(=O)Cc1c(F)cccc1F ZINC000087240793 563826911 /nfs/dbraw/zinc/82/69/11/563826911.db2.gz SVIBPIPOPKGYPF-GOSISDBHSA-N 0 0 318.367 3.758 50 0 DHAARN O=C(c1ccccn1)N1CCCCC[C@@H]1Cc1cccs1 ZINC000084609821 563828126 /nfs/dbraw/zinc/82/81/26/563828126.db2.gz GMQHORQLDHUFBZ-CQSZACIVSA-N 0 0 300.427 3.771 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1C ZINC000012773651 563828179 /nfs/dbraw/zinc/82/81/79/563828179.db2.gz NOYSFEFMTNQBIX-HNNXBMFYSA-N 0 0 312.344 3.507 50 0 DHAARN O=C(Nc1cnc2ccccc2n1)c1cccc(F)c1Cl ZINC000084605633 563828485 /nfs/dbraw/zinc/82/84/85/563828485.db2.gz JCFXTAHAIUHPBC-UHFFFAOYSA-N 0 0 301.708 3.675 50 0 DHAARN C[C@@H](CNC(=O)[C@H]1CC=CCC1)c1nc2ccccc2s1 ZINC000084638298 563828959 /nfs/dbraw/zinc/82/89/59/563828959.db2.gz DNRBXPNUZGKPFZ-STQMWFEESA-N 0 0 300.427 3.872 50 0 DHAARN COc1ccccc1CN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC000012781099 563830446 /nfs/dbraw/zinc/83/04/46/563830446.db2.gz PDHXVYLWMICNEX-UHFFFAOYSA-N 0 0 309.409 3.846 50 0 DHAARN C[C@@H](Cc1ccoc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000084829337 563831463 /nfs/dbraw/zinc/83/14/63/563831463.db2.gz DBMCGPIHKKGMAH-LBPRGKRZSA-N 0 0 321.804 3.838 50 0 DHAARN C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000012784583 563831499 /nfs/dbraw/zinc/83/14/99/563831499.db2.gz GGKPMDASKNWZOE-VIFPVBQESA-N 0 0 310.184 3.828 50 0 DHAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccn1 ZINC000012787150 563831527 /nfs/dbraw/zinc/83/15/27/563831527.db2.gz YKNFRWQGNGSTGS-LBPRGKRZSA-N 0 0 304.802 3.702 50 0 DHAARN CCn1ccnc1CNCc1ccc(C)cc1OC(C)(C)C ZINC000084958726 563832029 /nfs/dbraw/zinc/83/20/29/563832029.db2.gz VHMHZEDXAZXSEE-UHFFFAOYSA-N 0 0 301.434 3.679 50 0 DHAARN CC[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1 ZINC000001469200 563837984 /nfs/dbraw/zinc/83/79/84/563837984.db2.gz WEJUKMLGDONMRQ-AWEZNQCLSA-N 0 0 310.235 3.783 50 0 DHAARN Cc1nc(-c2cccs2)sc1CNC(=O)c1ccncc1 ZINC000085470945 563838301 /nfs/dbraw/zinc/83/83/01/563838301.db2.gz LIDZONALZFOIAI-UHFFFAOYSA-N 0 0 315.423 3.505 50 0 DHAARN COCCN(Cc1ccoc1)C(=O)Nc1ccccc1Cl ZINC000085474488 563838347 /nfs/dbraw/zinc/83/83/47/563838347.db2.gz KCSLENMXZPYWOH-UHFFFAOYSA-N 0 0 308.765 3.614 50 0 DHAARN CCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000012822580 563841233 /nfs/dbraw/zinc/84/12/33/563841233.db2.gz LBPBYQQQHRSPQV-UHFFFAOYSA-N 0 0 315.760 3.535 50 0 DHAARN C[C@H](O)c1cccc(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000012824544 563843077 /nfs/dbraw/zinc/84/30/77/563843077.db2.gz IBQBRIPJILMYAB-LBPRGKRZSA-N 0 0 319.401 3.751 50 0 DHAARN CCc1cccc2c(C3=CCN(c4ncccn4)CC3)c[nH]c21 ZINC000012824938 563843487 /nfs/dbraw/zinc/84/34/87/563843487.db2.gz SXHFLRVOJUMVOR-UHFFFAOYSA-N 0 0 304.397 3.814 50 0 DHAARN O=C(c1ccc(CNc2c(F)cccc2F)cc1)N1CCCC1 ZINC000086191400 563845001 /nfs/dbraw/zinc/84/50/01/563845001.db2.gz SNNUZZBOJDFVGQ-UHFFFAOYSA-N 0 0 316.351 3.813 50 0 DHAARN C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1nccs1 ZINC000086394522 563845435 /nfs/dbraw/zinc/84/54/35/563845435.db2.gz HTPDDXRUAUKENO-GHMZBOCLSA-N 0 0 305.403 3.732 50 0 DHAARN C[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1nccs1 ZINC000086394518 563845538 /nfs/dbraw/zinc/84/55/38/563845538.db2.gz HTPDDXRUAUKENO-QWRGUYRKSA-N 0 0 305.403 3.732 50 0 DHAARN CNC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1 ZINC000000397543 563846159 /nfs/dbraw/zinc/84/61/59/563846159.db2.gz RPKLRKYSMQBGCC-UHFFFAOYSA-N 0 0 320.348 3.810 50 0 DHAARN COC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000012880841 563851444 /nfs/dbraw/zinc/85/14/44/563851444.db2.gz CEMVWUWJFMTFLO-SNVBAGLBSA-N 0 0 314.366 3.543 50 0 DHAARN COc1ccccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 ZINC000012893470 563852763 /nfs/dbraw/zinc/85/27/63/563852763.db2.gz UAVFLCKKNPGTKX-UHFFFAOYSA-N 0 0 323.377 3.655 50 0 DHAARN CCCCCOc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000012902910 563853127 /nfs/dbraw/zinc/85/31/27/563853127.db2.gz TVIKCNIOIZHVKM-UHFFFAOYSA-N 0 0 300.402 3.692 50 0 biogenic DHAARN Cc1cc(C)c(C(N)=O)c(Sc2ccc(F)c(Cl)c2)n1 ZINC000012905852 563853355 /nfs/dbraw/zinc/85/33/55/563853355.db2.gz VBQRFLJJQJZMPO-UHFFFAOYSA-N 0 0 310.781 3.741 50 0 DHAARN Cc1cc(C(=O)NCCc2ccc(-c3ccsc3)s2)no1 ZINC000575414112 563855931 /nfs/dbraw/zinc/85/59/31/563855931.db2.gz YORMMSIZVSGBNU-UHFFFAOYSA-N 0 0 318.423 3.746 50 0 DHAARN O=C(NCc1ccc(-c2ccoc2)nc1)c1c[nH]c2ccccc12 ZINC000575414381 563855990 /nfs/dbraw/zinc/85/59/90/563855990.db2.gz HLVMFYYHDCYEJN-UHFFFAOYSA-N 0 0 317.348 3.753 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)N[C@H](c1nccs1)C1CC1 ZINC000074708933 563856351 /nfs/dbraw/zinc/85/63/51/563856351.db2.gz LBYKXNNYKYDRAH-NHYWBVRUSA-N 0 0 313.426 3.755 50 0 DHAARN Cc1nn(C(=O)Oc2cccc(C)c2)c(C)c1Br ZINC000075250963 563861923 /nfs/dbraw/zinc/86/19/23/563861923.db2.gz JIAJXGPDVFNMKH-UHFFFAOYSA-N 0 0 309.163 3.618 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2C)cc1 ZINC000075138337 563860638 /nfs/dbraw/zinc/86/06/38/563860638.db2.gz WMUQOBGBCWHYLX-UHFFFAOYSA-N 0 0 301.321 3.737 50 0 DHAARN CS(=O)(=O)N1c2ccccc2C=C[C@H]1c1cc2ccccc2[nH]1 ZINC000075260003 563861645 /nfs/dbraw/zinc/86/16/45/563861645.db2.gz FHTUPFICMLREKQ-SFHVURJKSA-N 0 0 324.405 3.702 50 0 DHAARN Nc1nc(Nc2ccccc2)sc1C(=O)Oc1ccccc1 ZINC000075252151 563861918 /nfs/dbraw/zinc/86/19/18/563861918.db2.gz YZGUXPZLPDOFNX-UHFFFAOYSA-N 0 0 311.366 3.688 50 0 DHAARN O=C(Nc1ccc(Cl)cc1Cl)Nn1cnc2cccnc21 ZINC000075260648 563862161 /nfs/dbraw/zinc/86/21/61/563862161.db2.gz XPBDOOAROAEYNC-UHFFFAOYSA-N 0 0 322.155 3.514 50 0 DHAARN COc1cccc(NC2=NC(=O)C[C@@H](c3ccccc3)S2)c1 ZINC000075283476 563862710 /nfs/dbraw/zinc/86/27/10/563862710.db2.gz RWSYTCAQNKNMKR-HNNXBMFYSA-N 0 0 312.394 3.868 50 0 DHAARN C[C@@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@@H](c2ccco2)C1 ZINC000075386848 563864605 /nfs/dbraw/zinc/86/46/05/563864605.db2.gz SAUUZCWZTHFDQB-CXAGYDPISA-N 0 0 323.396 3.698 50 0 DHAARN CCc1cccc(N[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 ZINC000028876119 563865991 /nfs/dbraw/zinc/86/59/91/563865991.db2.gz KEMJNFHSDZVXHU-LLVKDONJSA-N 0 0 304.340 3.966 50 0 DHAARN COc1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000006230367 563866813 /nfs/dbraw/zinc/86/68/13/563866813.db2.gz YAAQEDMGVPYRJK-UHFFFAOYSA-N 0 0 324.207 3.975 50 0 DHAARN Cc1ccc(Nc2nc(C(=O)NC3CC3)nc3ccccc32)cc1 ZINC000035429732 563867414 /nfs/dbraw/zinc/86/74/14/563867414.db2.gz GLWJWQWYXRPJPT-UHFFFAOYSA-N 0 0 318.380 3.574 50 0 DHAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000035476392 563867822 /nfs/dbraw/zinc/86/78/22/563867822.db2.gz NCKGSUJCCPZEBU-KRWDZBQOSA-N 0 0 301.336 3.871 50 0 DHAARN Cc1c2ccccc2oc1-c1nnc(C(=O)NCCC(C)C)o1 ZINC000035503531 563870774 /nfs/dbraw/zinc/87/07/74/563870774.db2.gz SFIQCWYYYMSDLM-UHFFFAOYSA-N 0 0 313.357 3.567 50 0 DHAARN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](Oc2ccccn2)C1 ZINC000229891002 563870777 /nfs/dbraw/zinc/87/07/77/563870777.db2.gz VBQICRSCMJRHQC-TZMCWYRMSA-N 0 0 304.340 3.574 50 0 DHAARN Cc1nc2nc3c(c(Nc4cc(C)ccc4C)n2n1)CCCC3 ZINC000035508782 563870859 /nfs/dbraw/zinc/87/08/59/563870859.db2.gz GAVKALNEQPSXSE-UHFFFAOYSA-N 0 0 307.401 3.672 50 0 DHAARN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccncc2)[nH]n1 ZINC000035507911 563871006 /nfs/dbraw/zinc/87/10/06/563871006.db2.gz CPEHZFZVXLQADP-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN O[C@H](CSCc1coc(-c2cccc(F)c2)n1)C(F)(F)F ZINC000191108783 563871381 /nfs/dbraw/zinc/87/13/81/563871381.db2.gz WCAKGXWQDRXNHV-LLVKDONJSA-N 0 0 321.295 3.637 50 0 DHAARN CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1cccc(C)c1 ZINC000035622129 563873065 /nfs/dbraw/zinc/87/30/65/563873065.db2.gz SJPARASPZZUIHJ-GOSISDBHSA-N 0 0 307.401 3.708 50 0 DHAARN Cc1ccc(-c2ncc(S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000035681819 563874540 /nfs/dbraw/zinc/87/45/40/563874540.db2.gz GHJOQMKTFUHPOD-UHFFFAOYSA-N 0 0 313.378 3.791 50 0 DHAARN O=C1OC(c2ccc(F)cc2F)=N/C1=C\c1ccc(F)c(F)c1 ZINC000013001624 563875052 /nfs/dbraw/zinc/87/50/52/563875052.db2.gz XDVGVDUVALPLFW-NSIKDUERSA-N 0 0 321.229 3.588 50 0 DHAARN CCOc1ccccc1OCC(=O)Nc1ccccc1Cl ZINC000013003361 563875168 /nfs/dbraw/zinc/87/51/68/563875168.db2.gz ZNQMWRSDGCNLIW-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN CO[C@H](CNC(=O)NCc1cccs1)c1ccccc1Cl ZINC000123366526 563875707 /nfs/dbraw/zinc/87/57/07/563875707.db2.gz BKSICJDIYKZUFZ-CQSZACIVSA-N 0 0 324.833 3.588 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc2)co1 ZINC000013012284 563876118 /nfs/dbraw/zinc/87/61/18/563876118.db2.gz LZUDYCJLTHILMT-GOSISDBHSA-N 0 0 320.348 3.592 50 0 DHAARN COc1ccc(S(=O)(=O)Nc2ccccc2)c2ccccc12 ZINC000035685856 563876209 /nfs/dbraw/zinc/87/62/09/563876209.db2.gz RAOKNRXOTDIEBX-UHFFFAOYSA-N 0 0 313.378 3.649 50 0 DHAARN CC(C)c1c(NC(=O)Cc2ccncc2)cnn1-c1ccccc1 ZINC000191529779 563876753 /nfs/dbraw/zinc/87/67/53/563876753.db2.gz FJKOEUCPAXSBOL-UHFFFAOYSA-N 0 0 320.396 3.572 50 0 DHAARN Cc1ccc(C(=O)NCc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000013014613 563876777 /nfs/dbraw/zinc/87/67/77/563876777.db2.gz VJLNMLAZIFHVFL-UHFFFAOYSA-N 0 0 310.397 3.520 50 0 DHAARN O=C(NCCCOc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000013023864 563876812 /nfs/dbraw/zinc/87/68/12/563876812.db2.gz VYCZWJXUUOWOGD-LJQANCHMSA-N 0 0 309.409 3.692 50 0 DHAARN COc1ccccc1CNC(=O)c1ccc(-c2cccs2)nc1 ZINC000075502178 563877374 /nfs/dbraw/zinc/87/73/74/563877374.db2.gz KBTGCLBQKOKWFG-UHFFFAOYSA-N 0 0 324.405 3.749 50 0 DHAARN C[C@@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 ZINC000091088553 563877610 /nfs/dbraw/zinc/87/76/10/563877610.db2.gz TZXGUFGXHSCVIA-GFCCVEGCSA-N 0 0 320.820 3.994 50 0 DHAARN Cc1occc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091059286 563877709 /nfs/dbraw/zinc/87/77/09/563877709.db2.gz WNMUIRJJZDXGGB-LSDHHAIUSA-N 0 0 323.751 3.641 50 0 DHAARN C[C@H](NCc1cc(F)ccc1Br)c1ccccn1 ZINC000035694815 563878271 /nfs/dbraw/zinc/87/82/71/563878271.db2.gz BSBQXXRXULOJQO-JTQLQIEISA-N 0 0 309.182 3.834 50 0 DHAARN CCOc1ccc2ccccc2c1COC(=O)[C@H]1CCO[C@H]1C ZINC000092309404 563882961 /nfs/dbraw/zinc/88/29/61/563882961.db2.gz TWYWSADOLPKJPC-ZFWWWQNUSA-N 0 0 314.381 3.707 50 0 DHAARN Cc1ccc(OCCCCNC(=O)c2scnc2Cl)cc1 ZINC000054079573 563883009 /nfs/dbraw/zinc/88/30/09/563883009.db2.gz GQKRNIFMBPMFON-UHFFFAOYSA-N 0 0 324.833 3.694 50 0 DHAARN COc1ccc(NC(=O)CCc2cccc3[nH]ccc32)c(OC)c1 ZINC000075550487 563883325 /nfs/dbraw/zinc/88/33/25/563883325.db2.gz NTFVSZXPXMKLRG-UHFFFAOYSA-N 0 0 324.380 3.756 50 0 DHAARN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089363646 563884689 /nfs/dbraw/zinc/88/46/89/563884689.db2.gz LMVSIGIBTYZXBA-UXHICEINSA-N 0 0 316.404 3.997 50 0 DHAARN C[C@H](NC(=O)[C@@H]1CSCCS1)c1ccc(F)c(Cl)c1 ZINC000075572781 563884775 /nfs/dbraw/zinc/88/47/75/563884775.db2.gz NINDWQKLVGJXTF-UFBFGSQYSA-N 0 0 319.854 3.505 50 0 DHAARN CN(c1ccc(NC(=O)NC2CC2)cc1F)C1CCCCC1 ZINC000089365344 563884877 /nfs/dbraw/zinc/88/48/77/563884877.db2.gz LBKMLAAKGAPLJE-UHFFFAOYSA-N 0 0 305.397 3.879 50 0 DHAARN O[C@H](COc1cccc(-c2nccs2)c1)CC(F)(F)F ZINC000280394655 563886058 /nfs/dbraw/zinc/88/60/58/563886058.db2.gz FWSLXWZICLCGML-JTQLQIEISA-N 0 0 303.305 3.502 50 0 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ZINC000089761459 563911351 /nfs/dbraw/zinc/91/13/51/563911351.db2.gz QJSVKZFQLPNBFE-UHFFFAOYSA-N 0 0 321.424 3.792 50 0 DHAARN O=C(Cc1c[nH]c2ncccc12)N1CCCCC[C@@H]1c1ccco1 ZINC000089800284 563911539 /nfs/dbraw/zinc/91/15/39/563911539.db2.gz GNNIKHGLBFRXQA-MRXNPFEDSA-N 0 0 323.396 3.842 50 0 DHAARN CC(C)C[C@H](NC(=O)c1cnc(Cl)cn1)c1ccccc1 ZINC000089821042 563911544 /nfs/dbraw/zinc/91/15/44/563911544.db2.gz LAUBONFFWCEHRS-ZDUSSCGKSA-N 0 0 303.793 3.647 50 0 DHAARN COC(=O)C[C@H](C)SCc1nc2ccccc2n1C(F)F ZINC000089894574 563911916 /nfs/dbraw/zinc/91/19/16/563911916.db2.gz MFSQUHPFDGGBIJ-VIFPVBQESA-N 0 0 314.357 3.616 50 0 DHAARN CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 ZINC000076042944 563911918 /nfs/dbraw/zinc/91/19/18/563911918.db2.gz LXLIMBIIUUGIEF-CHWSQXEVSA-N 0 0 322.474 3.531 50 0 DHAARN c1ccc2sc([C@H]3CCCN3c3nc(C4CC4)no3)nc2c1 ZINC000089875029 563911923 /nfs/dbraw/zinc/91/19/23/563911923.db2.gz GDBQBJKHUFHMSJ-GFCCVEGCSA-N 0 0 312.398 3.898 50 0 DHAARN CSc1cc2c(cc1NCc1cnc(C)s1)OCCO2 ZINC000076062057 563912127 /nfs/dbraw/zinc/91/21/27/563912127.db2.gz CHJNLKBSDDPPTQ-UHFFFAOYSA-N 0 0 308.428 3.557 50 0 DHAARN C[C@H](c1ccccc1)n1ccc(NC(=O)CCC(F)(F)F)n1 ZINC000089905767 563912224 /nfs/dbraw/zinc/91/22/24/563912224.db2.gz AYFBYDRWPWSIOI-LLVKDONJSA-N 0 0 311.307 3.773 50 0 DHAARN COc1ccc(F)cc1C[S@](=O)[C@H](C)c1ccccc1F ZINC000089909738 563912226 /nfs/dbraw/zinc/91/22/26/563912226.db2.gz CFRNDRUEALSSGN-WSVYEEACSA-N 0 0 310.365 3.983 50 0 DHAARN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccsc2)cs1 ZINC000076066792 563912239 /nfs/dbraw/zinc/91/22/39/563912239.db2.gz MDBZFTBRASVGSF-SNVBAGLBSA-N 0 0 310.444 3.574 50 0 DHAARN C[C@H](c1cccs1)[S@](=O)Cc1cnn(-c2ccccc2)c1 ZINC000089910221 563912241 /nfs/dbraw/zinc/91/22/41/563912241.db2.gz OLGGKGICHNUMOF-ASSNKEHSSA-N 0 0 316.451 3.944 50 0 DHAARN C[C@@H](NC(=O)NC[C@H](C)Sc1ccccc1)c1ccncc1 ZINC000076085230 563912400 /nfs/dbraw/zinc/91/24/00/563912400.db2.gz REZIAJMVTLGKSA-UONOGXRCSA-N 0 0 315.442 3.623 50 0 DHAARN O=c1cc(-c2cccc(Br)c2)oc2ccc(O)cc12 ZINC000000151093 563912753 /nfs/dbraw/zinc/91/27/53/563912753.db2.gz YHTUWUYJAPGCGX-UHFFFAOYSA-N 0 0 317.138 3.928 50 0 DHAARN CCOc1ccccc1OCC(=O)OCc1ccccc1Cl ZINC000000151486 563912823 /nfs/dbraw/zinc/91/28/23/563912823.db2.gz GNWGQQSZUFKDFN-UHFFFAOYSA-N 0 0 320.772 3.861 50 0 DHAARN COc1cc(C=O)cc(Br)c1OCc1ccccc1 ZINC000000037197 563912856 /nfs/dbraw/zinc/91/28/56/563912856.db2.gz LHBCOPLQBMQCAF-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN CCOC(=O)COc1cccc(-c2nc3ccccc3s2)c1 ZINC000002874497 563913114 /nfs/dbraw/zinc/91/31/14/563913114.db2.gz VJRRZRRMDSOANN-UHFFFAOYSA-N 0 0 313.378 3.905 50 0 DHAARN CSCC[C@H](NC(=O)CC(C)C)c1nc2ccccc2[nH]1 ZINC000002121412 563915003 /nfs/dbraw/zinc/91/50/03/563915003.db2.gz XLMVSGAOFQZDGA-AWEZNQCLSA-N 0 0 305.447 3.519 50 0 biogenic DHAARN O=c1c2ccccc2ncn1CCOc1ccc2ccccc2c1 ZINC000001847997 563915689 /nfs/dbraw/zinc/91/56/89/563915689.db2.gz LPCHLQFOYKUQJP-UHFFFAOYSA-N 0 0 316.360 3.629 50 0 DHAARN Cc1nc(CC(C)C)oc1C(=O)NCCc1ccc(C)cc1C ZINC000252488091 563915895 /nfs/dbraw/zinc/91/58/95/563915895.db2.gz IJDWPDJHJFLGKI-UHFFFAOYSA-N 0 0 314.429 3.771 50 0 DHAARN O=C([C@@H]1CCCc2cccnc21)N(c1ccccn1)C1CCCC1 ZINC000252481538 563915926 /nfs/dbraw/zinc/91/59/26/563915926.db2.gz CNQGFRQJWHHSQW-QGZVFWFLSA-N 0 0 321.424 3.872 50 0 DHAARN COCc1ccccc1NC(=O)c1oc(CC(C)C)nc1C ZINC000252484921 563915958 /nfs/dbraw/zinc/91/59/58/563915958.db2.gz GKMVJDNMPIWQBX-UHFFFAOYSA-N 0 0 302.374 3.580 50 0 DHAARN O=C(C[C@@H]1CCCOC1)N1CCSc2ccc(Cl)cc21 ZINC000193479061 563916015 /nfs/dbraw/zinc/91/60/15/563916015.db2.gz ZDZRGBGHABNIMK-NSHDSACASA-N 0 0 311.834 3.595 50 0 DHAARN CCN(C(=O)[C@H]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000252491460 563916080 /nfs/dbraw/zinc/91/60/80/563916080.db2.gz LMXUXYXCQXIPQU-RYUDHWBXSA-N 0 0 315.335 3.873 50 0 DHAARN Cc1cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2Cl)no1 ZINC000252498735 563916204 /nfs/dbraw/zinc/91/62/04/563916204.db2.gz RJWPIVWFKIXNSM-UHFFFAOYSA-N 0 0 318.682 3.932 50 0 DHAARN Cc1ccc(F)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000252503723 563916402 /nfs/dbraw/zinc/91/64/02/563916402.db2.gz VGGUQSUYNXYKGQ-UHFFFAOYSA-N 0 0 313.781 3.729 50 0 DHAARN Fc1cc2ncc(N3CCS[C@H]4CCCC[C@@H]43)nc2cc1F ZINC000170656937 563917189 /nfs/dbraw/zinc/91/71/89/563917189.db2.gz MRAPTVLXZKHGSD-GJZGRUSLSA-N 0 0 321.396 3.772 50 0 DHAARN Cn1c(SCc2cc(-c3cccs3)on2)nnc1C1CC1 ZINC000007644594 563917653 /nfs/dbraw/zinc/91/76/53/563917653.db2.gz PDRYZFJNQGUFGD-UHFFFAOYSA-N 0 0 318.427 3.701 50 0 DHAARN CC(C)=CC(=O)O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000007651556 563917715 /nfs/dbraw/zinc/91/77/15/563917715.db2.gz HYPJDKXPOURGIT-VIFPVBQESA-N 0 0 316.184 3.830 50 0 DHAARN COCCNc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000007653365 563917754 /nfs/dbraw/zinc/91/77/54/563917754.db2.gz JUFXDFAQNFSCRD-UHFFFAOYSA-N 0 0 303.362 3.556 50 0 DHAARN CC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000007718746 563918083 /nfs/dbraw/zinc/91/80/83/563918083.db2.gz NLFBLHQVUIFWML-LBPRGKRZSA-N 0 0 317.772 3.949 50 0 DHAARN O=C(CSCc1ccccc1F)Nc1c(F)cccc1F ZINC000007736576 563918568 /nfs/dbraw/zinc/91/85/68/563918568.db2.gz PKLRVFZJMXJYEF-UHFFFAOYSA-N 0 0 311.328 3.976 50 0 DHAARN CC(=O)Nc1ccc(OC(=O)c2oc3ccccc3c2C)cc1 ZINC000007797335 563919461 /nfs/dbraw/zinc/91/94/61/563919461.db2.gz KWPICDKBLJBDLO-UHFFFAOYSA-N 0 0 309.321 3.919 50 0 DHAARN N=C(Nc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000238937216 563919735 /nfs/dbraw/zinc/91/97/35/563919735.db2.gz UIPVCJPLOPWGQX-UHFFFAOYSA-N 0 0 310.582 3.935 50 0 DHAARN CCS(=O)(=O)c1ccccc1NCc1cc2ccccc2[nH]1 ZINC000195576128 563919758 /nfs/dbraw/zinc/91/97/58/563919758.db2.gz ROMUNCUQYWEDBE-UHFFFAOYSA-N 0 0 314.410 3.574 50 0 DHAARN CC(C)SCc1cccc(NC(=O)NC[C@H]2CC[C@H](O)C2)c1 ZINC000195578940 563919822 /nfs/dbraw/zinc/91/98/22/563919822.db2.gz ARJZLJJQDJXTPN-BBRMVZONSA-N 0 0 322.474 3.611 50 0 DHAARN Cc1cc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)no1 ZINC000007816396 563919980 /nfs/dbraw/zinc/91/99/80/563919980.db2.gz XRCCKZUZABORTF-UHFFFAOYSA-N 0 0 311.312 3.932 50 0 DHAARN CCCCCc1nnc(NC(=O)c2cccnc2SC)s1 ZINC000007814047 563919991 /nfs/dbraw/zinc/91/99/91/563919991.db2.gz UULHUEUINSSYOA-UHFFFAOYSA-N 0 0 322.459 3.640 50 0 DHAARN Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1C ZINC000007915298 563920624 /nfs/dbraw/zinc/92/06/24/563920624.db2.gz BVYCGBROBICQPU-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN Cc1ccc(NN=C(N)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000002270707 563920993 /nfs/dbraw/zinc/92/09/93/563920993.db2.gz TZNZNYJDVSTKBL-UHFFFAOYSA-N 0 0 313.338 3.889 50 0 DHAARN COc1ccc(CC(=O)N[C@@H](c2cccs2)C(C)C)cc1 ZINC000007925018 563921134 /nfs/dbraw/zinc/92/11/34/563921134.db2.gz NYHYQKKLYCIWMY-QGZVFWFLSA-N 0 0 303.427 3.813 50 0 DHAARN C[C@H](NC(=O)N1CCSCC1)c1ccccc1C(F)(F)F ZINC000056853535 563923989 /nfs/dbraw/zinc/92/39/89/563923989.db2.gz RDWITIMFKQVKHR-JTQLQIEISA-N 0 0 318.364 3.525 50 0 DHAARN CC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1 ZINC000253417270 563924970 /nfs/dbraw/zinc/92/49/70/563924970.db2.gz VMQWVBGWXWHJGD-BFHYXJOUSA-N 0 0 305.422 3.515 50 0 DHAARN CN(C(=O)c1cccc([C@H]2CCOC2)c1)c1c(F)cccc1F ZINC000253416541 563925025 /nfs/dbraw/zinc/92/50/25/563925025.db2.gz KGVYJUDDXRKHGF-AWEZNQCLSA-N 0 0 317.335 3.745 50 0 DHAARN O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCCCCO1 ZINC000253424627 563925175 /nfs/dbraw/zinc/92/51/75/563925175.db2.gz IOYLOYYFQHQNJV-UHFFFAOYSA-N 0 0 318.295 3.577 50 0 DHAARN CC[C@H](NC(=O)N1CCC[C@](C)(OC)CC1)c1cccs1 ZINC000253429064 563925304 /nfs/dbraw/zinc/92/53/04/563925304.db2.gz OJILGRGIYHEQAJ-BBRMVZONSA-N 0 0 310.463 3.800 50 0 DHAARN Cc1ccc(-c2cc(COc3cc(C)nc4nccn43)on2)cc1 ZINC000253426795 563925309 /nfs/dbraw/zinc/92/53/09/563925309.db2.gz AYUAKDUYGFDIPB-UHFFFAOYSA-N 0 0 320.352 3.580 50 0 DHAARN Cc1cc(C)nc(CN(C)C(=O)c2cc(F)cc(Cl)c2)c1 ZINC000584885735 563925370 /nfs/dbraw/zinc/92/53/70/563925370.db2.gz XEJNPDODXHPLHW-UHFFFAOYSA-N 0 0 306.768 3.763 50 0 DHAARN CCc1ccc(CN(C)C(=O)NC2(c3cccc(C)c3)CC2)nc1 ZINC000584886833 563925397 /nfs/dbraw/zinc/92/53/97/563925397.db2.gz CSQKVRDIIKZZCZ-UHFFFAOYSA-N 0 0 323.440 3.783 50 0 DHAARN Cc1cccc([C@@H](NC(=O)CCc2cccc(F)c2)C2CC2)n1 ZINC000584891899 563925486 /nfs/dbraw/zinc/92/54/86/563925486.db2.gz XJTKTMYMJBZAKR-IBGZPJMESA-N 0 0 312.388 3.729 50 0 DHAARN Cc1cccc([C@H](NC(=O)CCc2cccc(F)c2)C2CC2)n1 ZINC000584891900 563925572 /nfs/dbraw/zinc/92/55/72/563925572.db2.gz XJTKTMYMJBZAKR-LJQANCHMSA-N 0 0 312.388 3.729 50 0 DHAARN Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000002338713 563926186 /nfs/dbraw/zinc/92/61/86/563926186.db2.gz UFTIAJPNXMWDBW-OAHLLOKOSA-N 0 0 320.352 3.516 50 0 DHAARN CCCSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000002331092 563926219 /nfs/dbraw/zinc/92/62/19/563926219.db2.gz WHYBSBFOKNPRKP-UHFFFAOYSA-N 0 0 304.444 3.720 50 0 DHAARN CC(C)c1nc2oc3c(ncnc3N3CCCC3)c2c2c1CCC2 ZINC000002355340 563927230 /nfs/dbraw/zinc/92/72/30/563927230.db2.gz LCSSSFGSKODAKR-UHFFFAOYSA-N 0 0 322.412 3.983 50 0 DHAARN CC[C@@H](C)[C@H](N)c1nnc(SC/C=C/c2ccccc2)o1 ZINC000002384264 563927718 /nfs/dbraw/zinc/92/77/18/563927718.db2.gz VIEBUZXMVFCQDC-UNZKQPITSA-N 0 0 303.431 3.921 50 0 DHAARN Fc1ccc([C@H]2NCc3cc4c(cc3-n3cccc32)OCO4)cc1 ZINC000055231377 563927866 /nfs/dbraw/zinc/92/78/66/563927866.db2.gz OFLGOKDDWQXXNP-LJQANCHMSA-N 0 0 322.339 3.538 50 0 DHAARN CCCCCn1c2ccccc2nc(C(=O)c2ccccc2)c1=O ZINC000002420030 563928120 /nfs/dbraw/zinc/92/81/20/563928120.db2.gz FHBULQOSMUGYEW-UHFFFAOYSA-N 0 0 320.392 3.818 50 0 DHAARN O=C(NCc1ccc(Cl)cc1Cl)c1[nH]nc2ccccc21 ZINC000007942385 563928725 /nfs/dbraw/zinc/92/87/25/563928725.db2.gz JJEJNQSTPVPSCW-UHFFFAOYSA-N 0 0 320.179 3.800 50 0 DHAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC=O ZINC000012659415 563928954 /nfs/dbraw/zinc/92/89/54/563928954.db2.gz YFIVNBTYXVUCHU-QFHQRVFTSA-N 0 0 319.489 3.505 50 0 biogenic DHAARN Clc1cc2c(cc1SCc1noc(C3CC3)n1)OCCO2 ZINC000066262121 563928981 /nfs/dbraw/zinc/92/89/81/563928981.db2.gz QONYAAKENAYOIM-UHFFFAOYSA-N 0 0 324.789 3.664 50 0 DHAARN O=C(Cc1cccc(F)c1)Nc1ccccc1OC(F)(F)F ZINC000012906022 563929069 /nfs/dbraw/zinc/92/90/69/563929069.db2.gz GBVVMUGNXCJDRJ-UHFFFAOYSA-N 0 0 313.250 3.906 50 0 DHAARN COc1cc2cc(-c3ccc(O)cc3O)nc(C)c2cc1OC ZINC000013122646 563929276 /nfs/dbraw/zinc/92/92/76/563929276.db2.gz SIZZKZXYIRZRTK-UHFFFAOYSA-N 0 0 311.337 3.639 50 0 biogenic DHAARN CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc3ccccc3s2)C1 ZINC000078619938 563929725 /nfs/dbraw/zinc/92/97/25/563929725.db2.gz SANLPVCSNFPVIV-LLVKDONJSA-N 0 0 319.430 3.718 50 0 DHAARN Cc1ccsc1-c1nnc(SCc2nnc(C(C)C)o2)o1 ZINC000078605842 563929736 /nfs/dbraw/zinc/92/97/36/563929736.db2.gz MJHKZQKWAHZENC-UHFFFAOYSA-N 0 0 322.415 3.905 50 0 DHAARN Cc1noc(Cl)c1CC(=O)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000078712964 563929949 /nfs/dbraw/zinc/92/99/49/563929949.db2.gz PGOJPLFVTXCCIS-HNNXBMFYSA-N 0 0 322.767 3.586 50 0 DHAARN O=C(c1cc(F)cc(F)c1)n1ccccc1=NC1CCCCC1 ZINC000254403974 563930076 /nfs/dbraw/zinc/93/00/76/563930076.db2.gz UCKSSKPSNVUMRB-UHFFFAOYSA-N 0 0 316.351 3.688 50 0 DHAARN C[S@](=O)C[C@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000154696721 563930126 /nfs/dbraw/zinc/93/01/26/563930126.db2.gz LNNMUBGYCFMQJT-HTAPYJJXSA-N 0 0 313.422 3.642 50 0 DHAARN C[C@H](CNC(=O)N[C@H](c1nccs1)C1CC1)c1cccs1 ZINC000078942374 563930129 /nfs/dbraw/zinc/93/01/29/563930129.db2.gz NADPLPGPGFFUIC-MFKMUULPSA-N 0 0 321.471 3.759 50 0 DHAARN O=C(Nc1ccccc1N1CCCCCC1)C1=CCCCO1 ZINC000078899798 563930183 /nfs/dbraw/zinc/93/01/83/563930183.db2.gz IDNOULDVQXXRLB-UHFFFAOYSA-N 0 0 300.402 3.700 50 0 DHAARN CCC(C)(C)NC(=O)Cn1cc(-c2ccccc2)nc1SC ZINC000079061249 563930290 /nfs/dbraw/zinc/93/02/90/563930290.db2.gz QKGSYUJKVTZTHP-UHFFFAOYSA-N 0 0 317.458 3.577 50 0 DHAARN CO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(F)c(C)c2)cs1 ZINC000079022260 563930333 /nfs/dbraw/zinc/93/03/33/563930333.db2.gz KJQAVQBTLSWIMT-NSHDSACASA-N 0 0 322.405 3.570 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c(C)c1 ZINC000079586846 563930518 /nfs/dbraw/zinc/93/05/18/563930518.db2.gz FXSHSWBLEODNIG-UHFFFAOYSA-N 0 0 305.381 3.956 50 0 DHAARN CC(C)n1cc(CCC(=O)NCc2cccn2C)c2ccccc21 ZINC000079493164 563930553 /nfs/dbraw/zinc/93/05/53/563930553.db2.gz JQXDVQSPNCPNBF-UHFFFAOYSA-N 0 0 323.440 3.810 50 0 DHAARN CCN(C[C@H]1CCOC1)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC000079753486 563930635 /nfs/dbraw/zinc/93/06/35/563930635.db2.gz VPMYXLNMASTCKH-CQSZACIVSA-N 0 0 301.386 3.548 50 0 DHAARN O=C(c1ccc(Cl)cc1Cl)N1CC[C@H](OCC2CC2)C1 ZINC000390829933 563930712 /nfs/dbraw/zinc/93/07/12/563930712.db2.gz HPCROISLBXZQDB-LBPRGKRZSA-N 0 0 314.212 3.635 50 0 DHAARN O=C(NCc1ccncc1)c1cc2c(cccc2Cl)s1 ZINC000094993201 563931003 /nfs/dbraw/zinc/93/10/03/563931003.db2.gz QRWXUKSEJCKHHB-UHFFFAOYSA-N 0 0 302.786 3.880 50 0 DHAARN O=C(Nc1cccc(CO)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000095349026 563931208 /nfs/dbraw/zinc/93/12/08/563931208.db2.gz QQZQYBIUCNVQHL-UHFFFAOYSA-N 0 0 320.392 3.791 50 0 DHAARN Fc1ccccc1-c1n[nH]c2c1CN(Cc1ccsc1)CC2 ZINC000020600324 563931829 /nfs/dbraw/zinc/93/18/29/563931829.db2.gz LTGOFZJMJCLNFG-UHFFFAOYSA-N 0 0 313.401 3.836 50 0 DHAARN CCCNC(=O)CCCC(=O)N1CCC[C@H](C)c2ccccc21 ZINC000095939122 563932052 /nfs/dbraw/zinc/93/20/52/563932052.db2.gz SJKWPUQIZADFHP-HNNXBMFYSA-N 0 0 316.445 3.613 50 0 DHAARN COC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000095953239 563932349 /nfs/dbraw/zinc/93/23/49/563932349.db2.gz HMIUEEWZKZFZLA-NEPJUHHUSA-N 0 0 307.415 3.712 50 0 DHAARN CC[C@@H](C)Oc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1 ZINC000095958948 563932368 /nfs/dbraw/zinc/93/23/68/563932368.db2.gz YOZRXTMKUHFLOS-CYBMUJFWSA-N 0 0 301.390 3.894 50 0 DHAARN CC[C@@H](C)Oc1ccc(NC(=O)c2ccnc(C3CC3)n2)cc1 ZINC000095958396 563932416 /nfs/dbraw/zinc/93/24/16/563932416.db2.gz SOUIYDYYWLXCBN-GFCCVEGCSA-N 0 0 311.385 3.784 50 0 DHAARN CC[C@H](NC(=O)N(CC)c1cc(C)cc(C)c1)c1noc(C)n1 ZINC000095963096 563932479 /nfs/dbraw/zinc/93/24/79/563932479.db2.gz KMESTYPYRWCNKG-HNNXBMFYSA-N 0 0 316.405 3.682 50 0 DHAARN O=C(NCCc1nccs1)c1ccc(Oc2ccccc2)o1 ZINC000095963604 563932673 /nfs/dbraw/zinc/93/26/73/563932673.db2.gz DQCFCUONUPCTDC-UHFFFAOYSA-N 0 0 314.366 3.501 50 0 DHAARN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1c(C)oc(C)c1C 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CC(C)[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1 ZINC000069452386 563953035 /nfs/dbraw/zinc/95/30/35/563953035.db2.gz WFRJKMGVNJKSMB-PKOBYXMFSA-N 0 0 323.392 3.802 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000069486510 563953067 /nfs/dbraw/zinc/95/30/67/563953067.db2.gz INAONQHYTRZPKH-UHFFFAOYSA-N 0 0 310.756 3.829 50 0 DHAARN Cc1noc(C)c1CN(C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000069486590 563953200 /nfs/dbraw/zinc/95/32/00/563953200.db2.gz IXENYLZHKYRFRJ-GFCCVEGCSA-N 0 0 312.373 3.534 50 0 DHAARN C[C@@H](Nc1cc(Cl)nc(N)n1)C12CC3CC(CC(C3)C1)C2 ZINC000069490723 563953271 /nfs/dbraw/zinc/95/32/71/563953271.db2.gz FDFLCCAHDHLZIK-LDWCXNJISA-N 0 0 306.841 3.729 50 0 DHAARN CC(C)(C)c1cc(NC(=O)c2cnc(-c3ccccc3)nc2)no1 ZINC000069538046 563953423 /nfs/dbraw/zinc/95/34/23/563953423.db2.gz YARZAWRMZVVCNA-UHFFFAOYSA-N 0 0 322.368 3.681 50 0 DHAARN CC(C)CN1c2ccc(NC(=O)c3ccccc3)cc2CCC1=O ZINC000009137762 563953446 /nfs/dbraw/zinc/95/34/46/563953446.db2.gz DZKBMXBIJFWCAZ-UHFFFAOYSA-N 0 0 322.408 3.874 50 0 DHAARN Cc1nnc(SCC(=O)c2ccc(C)cc2)n1-c1ccccc1 ZINC000009142909 563953577 /nfs/dbraw/zinc/95/35/77/563953577.db2.gz DWKCEKHCQXSKQV-UHFFFAOYSA-N 0 0 323.421 3.859 50 0 DHAARN O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cnccn1 ZINC000069632704 563954033 /nfs/dbraw/zinc/95/40/33/563954033.db2.gz USIOXGUHWPJFFY-UHFFFAOYSA-N 0 0 311.291 3.674 50 0 DHAARN Cc1cccc(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)c1 ZINC000009228493 563954227 /nfs/dbraw/zinc/95/42/27/563954227.db2.gz YPWBSVPDGIBOGV-UHFFFAOYSA-N 0 0 317.388 3.880 50 0 DHAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCCc1cscn1 ZINC000069708559 563954400 /nfs/dbraw/zinc/95/44/00/563954400.db2.gz JYXNYTWAFBHZAJ-UHFFFAOYSA-N 0 0 320.801 3.824 50 0 DHAARN CN(C(=O)c1ccc(Cn2ccnc2)o1)C1CCCCCCC1 ZINC000069816810 563954692 /nfs/dbraw/zinc/95/46/92/563954692.db2.gz ZKBJMCXICOADQT-UHFFFAOYSA-N 0 0 315.417 3.709 50 0 DHAARN Cc1csc(-c2cccc(NC(=O)N3CCSCC3)c2)n1 ZINC000069808899 563954843 /nfs/dbraw/zinc/95/48/43/563954843.db2.gz UAWGXFIHPARXNM-UHFFFAOYSA-N 0 0 319.455 3.699 50 0 DHAARN CSc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1 ZINC000009336290 563955136 /nfs/dbraw/zinc/95/51/36/563955136.db2.gz VICDAEBUXOLCOE-UHFFFAOYSA-N 0 0 300.383 3.619 50 0 DHAARN Cc1ncsc1CN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000245713896 563955201 /nfs/dbraw/zinc/95/52/01/563955201.db2.gz GMCYEATUEFVRED-IAQYHMDHSA-N 0 0 306.406 3.553 50 0 DHAARN CCC[C@@H](CC(=O)Nc1nc2ccccc2s1)n1ccnc1 ZINC000009338003 563955227 /nfs/dbraw/zinc/95/52/27/563955227.db2.gz OZXINAKSIAUGOP-LBPRGKRZSA-N 0 0 314.414 3.863 50 0 DHAARN Cc1cnc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)s1 ZINC000009341267 563955469 /nfs/dbraw/zinc/95/54/69/563955469.db2.gz XPBSAOBWKWVJIU-UHFFFAOYSA-N 0 0 316.426 3.736 50 0 DHAARN CC[C@@H](C)c1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000009368111 563955530 /nfs/dbraw/zinc/95/55/30/563955530.db2.gz GPGXXEQUWIPAQP-YPMHNXCESA-N 0 0 301.390 3.936 50 0 DHAARN COc1ccc(C)cc1NC(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000009387750 563955551 /nfs/dbraw/zinc/95/55/51/563955551.db2.gz VXGVWCWVJNWLHN-HNNXBMFYSA-N 0 0 312.413 3.635 50 0 DHAARN CCOC(=O)c1c(C)n(C)c2c1c(Br)ccc2C ZINC000009372402 563955591 /nfs/dbraw/zinc/95/55/91/563955591.db2.gz JWVFXPSRQUQVOJ-UHFFFAOYSA-N 0 0 310.191 3.734 50 0 DHAARN O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCCO2 ZINC000009448979 563955905 /nfs/dbraw/zinc/95/59/05/563955905.db2.gz YTYJJYUNPXYINW-UHFFFAOYSA-N 0 0 323.392 3.518 50 0 DHAARN COc1ccccc1CNC(=O)c1nc(-c2ccccc2)oc1C ZINC000009478904 563956104 /nfs/dbraw/zinc/95/61/04/563956104.db2.gz FZXPIHWKQHAHFH-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000009513325 563956402 /nfs/dbraw/zinc/95/64/02/563956402.db2.gz FANOQHFCKGPRBJ-CQSZACIVSA-N 0 0 315.380 3.989 50 0 DHAARN Cn1ncc2c1ncnc2Nc1ccc(Oc2ccccc2)cc1 ZINC000009532056 563956832 /nfs/dbraw/zinc/95/68/32/563956832.db2.gz VOLWFHVBNPXYLW-UHFFFAOYSA-N 0 0 317.352 3.899 50 0 DHAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccccc1 ZINC000009604738 563957091 /nfs/dbraw/zinc/95/70/91/563957091.db2.gz RIPLZIWIILSKPA-LLVKDONJSA-N 0 0 313.426 3.854 50 0 DHAARN COc1ccc(OC)c2sc(NC(=O)C3CCCCC3)nc21 ZINC000009599502 563957131 /nfs/dbraw/zinc/95/71/31/563957131.db2.gz UTTJPDJDLFFBMT-UHFFFAOYSA-N 0 0 320.414 3.832 50 0 DHAARN COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccccc1C ZINC000009691434 563957331 /nfs/dbraw/zinc/95/73/31/563957331.db2.gz YFDRDLOQPWHVKP-OAHLLOKOSA-N 0 0 313.397 3.568 50 0 DHAARN Cc1ccc(F)c(NC(=O)c2ccc(Cn3cccn3)cc2)c1 ZINC000009677772 563957333 /nfs/dbraw/zinc/95/73/33/563957333.db2.gz ISGCMLSJLQHFIN-UHFFFAOYSA-N 0 0 309.344 3.631 50 0 DHAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccnc1 ZINC000009690006 563957366 /nfs/dbraw/zinc/95/73/66/563957366.db2.gz HMDLJRPCMHOZPW-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN O=C(CCCN1CCSc2ccccc21)NC1CCCCC1 ZINC000009740400 563957519 /nfs/dbraw/zinc/95/75/19/563957519.db2.gz HEZQQHUFUZCFDQ-UHFFFAOYSA-N 0 0 318.486 3.828 50 0 DHAARN CSc1ccccc1-c1nnc(NC(=O)c2ccccc2)o1 ZINC000009707570 563957568 /nfs/dbraw/zinc/95/75/68/563957568.db2.gz ASDBJFWZVQDUDP-UHFFFAOYSA-N 0 0 311.366 3.711 50 0 DHAARN COc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000009726514 563957582 /nfs/dbraw/zinc/95/75/82/563957582.db2.gz DBNLCECAQDKBRP-OAHLLOKOSA-N 0 0 317.385 3.801 50 0 DHAARN Cc1ccc(SCCNC(=O)c2cccc(N(C)C)c2)cc1 ZINC000009888975 563957770 /nfs/dbraw/zinc/95/77/70/563957770.db2.gz AXLHGQSCSMEMTO-UHFFFAOYSA-N 0 0 314.454 3.583 50 0 DHAARN COc1cccc(-c2noc(CCC(=O)c3ccccc3)n2)c1 ZINC000174857088 563958099 /nfs/dbraw/zinc/95/80/99/563958099.db2.gz ZDTHTEURRTUHKT-UHFFFAOYSA-N 0 0 308.337 3.561 50 0 DHAARN CCSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1 ZINC000071327555 563958168 /nfs/dbraw/zinc/95/81/68/563958168.db2.gz ZBFXVEUHSJRRPR-UHFFFAOYSA-N 0 0 320.414 3.757 50 0 DHAARN Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000010132742 563958228 /nfs/dbraw/zinc/95/82/28/563958228.db2.gz APJLRXVUICPZHQ-NSHDSACASA-N 0 0 319.836 3.500 50 0 DHAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000010402690 563958775 /nfs/dbraw/zinc/95/87/75/563958775.db2.gz DFWQJUJSILCHHW-CYBMUJFWSA-N 0 0 322.412 3.812 50 0 DHAARN O=C(Nc1cccc2[nH]ccc21)N[C@H]1CCOc2ccccc21 ZINC000071803383 563958824 /nfs/dbraw/zinc/95/88/24/563958824.db2.gz CZKUIQIUCXRPPU-INIZCTEOSA-N 0 0 307.353 3.813 50 0 DHAARN Cc1ccnc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000010430627 563958957 /nfs/dbraw/zinc/95/89/57/563958957.db2.gz VKFRICNPUQQCJV-UHFFFAOYSA-N 0 0 307.353 3.616 50 0 DHAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCc2ccccc21 ZINC000010408348 563959068 /nfs/dbraw/zinc/95/90/68/563959068.db2.gz BVFUEWWKHVMQSD-UHFFFAOYSA-N 0 0 320.396 3.524 50 0 DHAARN C[C@@H](c1ccncc1)N(C)C(=O)NCC1(c2ccccc2)CC1 ZINC000071841259 563959259 /nfs/dbraw/zinc/95/92/59/563959259.db2.gz YPKOSFWOHODNFG-HNNXBMFYSA-N 0 0 309.413 3.516 50 0 DHAARN CCc1ccc([C@@H](NC(=O)c2cnccn2)c2cccs2)cc1 ZINC000010447659 563959320 /nfs/dbraw/zinc/95/93/20/563959320.db2.gz YNHIGXFGXIEMST-QGZVFWFLSA-N 0 0 323.421 3.620 50 0 DHAARN CC(C)c1nc(CNC(=O)N(C)[C@H](C)c2cccnc2)cs1 ZINC000071879975 563959427 /nfs/dbraw/zinc/95/94/27/563959427.db2.gz FNKCEYNWNNIFSP-GFCCVEGCSA-N 0 0 318.446 3.564 50 0 DHAARN CC(C)[C@@H](NC(=O)Cn1cnc2ccccc21)c1cccs1 ZINC000010519801 563959464 /nfs/dbraw/zinc/95/94/64/563959464.db2.gz LCFBXVXTANUJGX-QGZVFWFLSA-N 0 0 313.426 3.611 50 0 DHAARN Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)n1 ZINC000071870878 563959488 /nfs/dbraw/zinc/95/94/88/563959488.db2.gz OSVGDHMGSQEKCZ-INIZCTEOSA-N 0 0 323.396 3.723 50 0 DHAARN OCC[C@@H](Nc1cccc(C(F)(F)F)n1)c1cccs1 ZINC000077236040 563960732 /nfs/dbraw/zinc/96/07/32/563960732.db2.gz HZQPUYDLGHOOAW-SECBINFHSA-N 0 0 302.321 3.698 50 0 DHAARN COc1cc(Cl)c(C)cc1NC(=O)N(C)[C@H](C)CSC ZINC000077182103 563960814 /nfs/dbraw/zinc/96/08/14/563960814.db2.gz UJZZDPIHJPSFCW-SNVBAGLBSA-N 0 0 316.854 3.872 50 0 DHAARN O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc(Cl)nc1 ZINC000078494704 563960926 /nfs/dbraw/zinc/96/09/26/563960926.db2.gz BITYXRZFYLJLKV-UHFFFAOYSA-N 0 0 303.724 3.537 50 0 DHAARN O=C(OCCCc1cccnc1)c1coc(-c2ccccc2)n1 ZINC000078031933 563961071 /nfs/dbraw/zinc/96/10/71/563961071.db2.gz DJXUGPQOLIKUCC-UHFFFAOYSA-N 0 0 308.337 3.526 50 0 DHAARN O=C(CCCOc1ccccc1)NCc1cc2ccccc2[nH]1 ZINC000058902866 563961661 /nfs/dbraw/zinc/96/16/61/563961661.db2.gz QBJHUNZDPPPISG-UHFFFAOYSA-N 0 0 308.381 3.643 50 0 DHAARN c1ccc(-c2noc(-c3ccc(NC4CCCC4)nn3)n2)cc1 ZINC000035479147 563961904 /nfs/dbraw/zinc/96/19/04/563961904.db2.gz UORJHVYXMJMIRO-UHFFFAOYSA-N 0 0 307.357 3.548 50 0 DHAARN CC(=O)Nc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 ZINC000066323355 568413318 /nfs/dbraw/zinc/41/33/18/568413318.db2.gz HULKQXUSDNIXNM-UHFFFAOYSA-N 0 0 323.318 3.792 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)cc1 ZINC000047344630 568415128 /nfs/dbraw/zinc/41/51/28/568415128.db2.gz IDXWRSUHTYBBFN-KRWDZBQOSA-N 0 0 313.401 3.519 50 0 DHAARN COc1ccc(C(C)=O)c(OCc2nnc(-c3ccccc3)o2)c1 ZINC000032958276 568416512 /nfs/dbraw/zinc/41/65/12/568416512.db2.gz MWMBLFCXFUTGFM-UHFFFAOYSA-N 0 0 324.336 3.527 50 0 DHAARN Cn1cc(C(=O)Nc2ccccc2Cl)c(C(F)(F)F)c1 ZINC000263639789 568417149 /nfs/dbraw/zinc/41/71/49/568417149.db2.gz ISTPMHPSZJUTSK-UHFFFAOYSA-N 0 0 302.683 3.950 50 0 DHAARN COCCCCC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000078190977 568417583 /nfs/dbraw/zinc/41/75/83/568417583.db2.gz LOMLKLCHHSZOKT-CYBMUJFWSA-N 0 0 323.742 3.876 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cc1C ZINC000012752718 568417845 /nfs/dbraw/zinc/41/78/45/568417845.db2.gz HQSGVRCLEBVDAC-SFHVURJKSA-N 0 0 315.438 3.829 50 0 DHAARN O=c1c(SCc2ccccc2F)nccn1-c1ccccc1 ZINC000006915164 568418960 /nfs/dbraw/zinc/41/89/60/568418960.db2.gz VAHITVUQPWTHNT-UHFFFAOYSA-N 0 0 312.369 3.664 50 0 DHAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(C)=O)ccc21 ZINC000006977505 568419100 /nfs/dbraw/zinc/41/91/00/568419100.db2.gz KQGHNIRRNWKTOS-GFCCVEGCSA-N 0 0 324.380 3.705 50 0 DHAARN Cc1nnc(-c2cc3ccccc3n2CC(=O)c2ccccc2)o1 ZINC000007451795 568419542 /nfs/dbraw/zinc/41/95/42/568419542.db2.gz WONBVJDOIMEPCJ-UHFFFAOYSA-N 0 0 317.348 3.883 50 0 DHAARN CC1(C)Cc2cccc(OCC(=O)NC3CCCCCC3)c2O1 ZINC000007453397 568419642 /nfs/dbraw/zinc/41/96/42/568419642.db2.gz PLDRXULDKZUBAT-UHFFFAOYSA-N 0 0 317.429 3.618 50 0 DHAARN C[C@H](SCc1cccc(C(F)(F)F)c1)C(=O)NC1CC1 ZINC000071818587 568419844 /nfs/dbraw/zinc/41/98/44/568419844.db2.gz XNGRINPLAGCLOP-VIFPVBQESA-N 0 0 303.349 3.606 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)on1 ZINC000071820951 568419937 /nfs/dbraw/zinc/41/99/37/568419937.db2.gz KNMOYCIFRSDFDB-GFCCVEGCSA-N 0 0 302.399 3.511 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000001078823 568420472 /nfs/dbraw/zinc/42/04/72/568420472.db2.gz YVKDTXFWHNKSCJ-UHFFFAOYSA-N 0 0 322.408 3.873 50 0 DHAARN CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000001286904 568420524 /nfs/dbraw/zinc/42/05/24/568420524.db2.gz WNEAVCFGHXYVDW-UHFFFAOYSA-N 0 0 304.353 3.846 50 0 DHAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(OC(C)=O)cc1 ZINC000001062726 568420546 /nfs/dbraw/zinc/42/05/46/568420546.db2.gz KIWICXRONJJUPF-UHFFFAOYSA-N 0 0 319.744 3.526 50 0 DHAARN O=C(CCCC1CCCCC1)N1CCN(c2nccs2)CC1 ZINC000054485304 568420772 /nfs/dbraw/zinc/42/07/72/568420772.db2.gz VRBXVMCNOVDPQA-UHFFFAOYSA-N 0 0 321.490 3.542 50 0 DHAARN O=c1ccc(-c2ccccc2)nn1Cc1cccc2cccnc21 ZINC000054658481 568421037 /nfs/dbraw/zinc/42/10/37/568421037.db2.gz TWHKZSRZJLJHIK-UHFFFAOYSA-N 0 0 313.360 3.507 50 0 DHAARN COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1 ZINC000000485498 568421519 /nfs/dbraw/zinc/42/15/19/568421519.db2.gz LRYCEYYGXGCVJT-UHFFFAOYSA-N 0 0 310.349 3.997 50 0 biogenic DHAARN Cc1n[nH]c(C)c1SCC(=O)Nc1cc(Cl)ccc1C ZINC000027756577 568421845 /nfs/dbraw/zinc/42/18/45/568421845.db2.gz MNTKKIUEBDHSFG-UHFFFAOYSA-N 0 0 309.822 3.719 50 0 DHAARN CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CCCC1 ZINC000055204567 568421883 /nfs/dbraw/zinc/42/18/83/568421883.db2.gz OKBGWQNMPMZBGG-UHFFFAOYSA-N 0 0 303.450 3.920 50 0 DHAARN COc1ccc(OCCCNc2ncnc3ccc(C)cc32)cc1 ZINC000195640593 1013333773 /nfs/dbraw/zinc/33/37/73/1013333773.db2.gz BDZJGMHDFCLLJP-UHFFFAOYSA-N 0 0 323.396 3.828 50 0 DHAARN CN(Cc1ccccc1N1CCCC1)C(=O)NCc1ccccc1 ZINC000025085300 1013387443 /nfs/dbraw/zinc/38/74/43/1013387443.db2.gz UMYMBACFUALLPD-UHFFFAOYSA-N 0 0 323.440 3.628 50 0 DHAARN CC(C)Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000262508493 967822514 /nfs/dbraw/zinc/82/25/14/967822514.db2.gz AQHKGILBOUKIJW-IBGZPJMESA-N 0 0 311.425 3.671 50 0 DHAARN CCOc1ccccc1C(=O)Nc1cccc(-c2nc(C)no2)c1 ZINC000033012779 1013971957 /nfs/dbraw/zinc/97/19/57/1013971957.db2.gz DAHLNMMZFHGRIL-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN O=C(Cc1noc2ccccc12)Nc1cccc(OC(F)F)c1 ZINC000044442608 1013993656 /nfs/dbraw/zinc/99/36/56/1013993656.db2.gz KGWCOGCTJYEDQJ-UHFFFAOYSA-N 0 0 318.279 3.610 50 0 DHAARN CC1(C)CCCC[C@H]1C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000193859196 1014553190 /nfs/dbraw/zinc/55/31/90/1014553190.db2.gz DNZZACJRTAGPLS-ZDUSSCGKSA-N 0 0 316.380 3.561 50 0 DHAARN CC(C)n1cnnc1SCc1nc2cc(Cl)ccc2n1C ZINC000053221266 1015393466 /nfs/dbraw/zinc/39/34/66/1015393466.db2.gz DTLMUMHFFSXLFO-UHFFFAOYSA-N 0 0 321.837 3.691 50 0 DHAARN COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194240664 1016043176 /nfs/dbraw/zinc/04/31/76/1016043176.db2.gz KWPOUVXCWZGHEY-INIZCTEOSA-N 0 0 321.380 3.986 50 0 DHAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1nccs1 ZINC000014112112 1016151043 /nfs/dbraw/zinc/15/10/43/1016151043.db2.gz YPDYFBHBZWOIQK-UHFFFAOYSA-N 0 0 319.386 3.587 50 0 DHAARN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Cl)cc(Cl)c1F ZINC000692381890 1016835202 /nfs/dbraw/zinc/83/52/02/1016835202.db2.gz YUULKDVHSHOILZ-WPCRTTGESA-N 0 0 324.248 3.694 50 0 DHAARN [O-]c1c(Cl)cc(Cl)cc1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12 ZINC000043170049 1032206408 /nfs/dbraw/zinc/20/64/08/1032206408.db2.gz GJVDWCJDROYHOC-ZLDLUXBVSA-N 0 0 316.228 3.655 50 0 DHAARN COCCc1nsc(N[C@H](C)c2ccc(OC(C)C)cc2)n1 ZINC000193342501 1032516930 /nfs/dbraw/zinc/51/69/30/1032516930.db2.gz JURLPSHVYOOIEJ-GFCCVEGCSA-N 0 0 321.446 3.687 50 0 DHAARN O=C(Nc1ccc(OC[C@@H]2CCCCO2)cc1)C1CC=CC1 ZINC000952963258 1032672091 /nfs/dbraw/zinc/67/20/91/1032672091.db2.gz JHVXOTJYDYQLOB-KRWDZBQOSA-N 0 0 301.386 3.539 50 0 DHAARN COCC1(CNC(=O)[C@H](C)Sc2ccc(C)cc2)CCCC1 ZINC000952965586 1032672136 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Cc1c([C@H](C)NCc2ccco2)nnn1-c1ccc(Cl)cc1 ZINC000089556319 1032745396 /nfs/dbraw/zinc/74/53/96/1032745396.db2.gz SEMHSZZCBCWOQF-NSHDSACASA-N 0 0 316.792 3.673 50 0 DHAARN Cc1c([C@@H](C)NCc2ccco2)nnn1-c1ccc(Cl)cc1 ZINC000089556318 1032746172 /nfs/dbraw/zinc/74/61/72/1032746172.db2.gz SEMHSZZCBCWOQF-LLVKDONJSA-N 0 0 316.792 3.673 50 0 DHAARN COc1ccc([C@H](NC(=O)Nc2nc(C)c(C)o2)C2CC2)cc1 ZINC000089558623 1032747614 /nfs/dbraw/zinc/74/76/14/1032747614.db2.gz LKOCQWXSSWKOTM-OAHLLOKOSA-N 0 0 315.373 3.573 50 0 DHAARN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CCC(C)(C)O)n1 ZINC000085261356 1018270530 /nfs/dbraw/zinc/27/05/30/1018270530.db2.gz WZXSQIMQFPWTGE-UHFFFAOYSA-N 0 0 314.216 3.721 50 0 DHAARN Cc1cc(CSc2nnc3c(Cl)cc(Cl)cn23)no1 ZINC000007936535 1018777380 /nfs/dbraw/zinc/77/73/80/1018777380.db2.gz OWADQFLEGWLAAR-UHFFFAOYSA-N 0 0 315.185 3.625 50 0 DHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(CC)CC ZINC000000201140 1019303964 /nfs/dbraw/zinc/30/39/64/1019303964.db2.gz UKYBDUOAODBMDN-UHFFFAOYSA-N 0 0 302.374 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/nfs/dbraw/zinc/81/00/72/1020810072.db2.gz RJIZVDYWNKGWLY-SNVBAGLBSA-N 0 0 320.439 3.506 50 0 DHAARN CC[C@@H]1CCCN(C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000184524731 1020872267 /nfs/dbraw/zinc/87/22/67/1020872267.db2.gz CZMVHDFGVSCVGQ-CQSZACIVSA-N 0 0 319.453 3.827 50 0 DHAARN Cc1cc(Nc2nnc(C(F)F)o2)cnc1N1CCCC[C@@H]1C ZINC000293250279 1021358201 /nfs/dbraw/zinc/35/82/01/1021358201.db2.gz WOFZULPOVRTRLX-JTQLQIEISA-N 0 0 323.347 3.833 50 0 DHAARN COC(=O)c1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000033405764 1021371149 /nfs/dbraw/zinc/37/11/49/1021371149.db2.gz ATCKFLDVQUMRBW-ZSOIEALJSA-N 0 0 313.740 3.619 50 0 DHAARN CC(C)c1ccccc1NC(=O)COC(=O)/C=C\c1ccco1 ZINC000033470556 1021440667 /nfs/dbraw/zinc/44/06/67/1021440667.db2.gz BEBNWKWNIZGCJI-KTKRTIGZSA-N 0 0 313.353 3.598 50 0 DHAARN COc1ccccc1/C=C\C(=O)Nc1ccc(F)c(F)c1F ZINC000033469780 1021442125 /nfs/dbraw/zinc/44/21/25/1021442125.db2.gz FHAWOWAKCGFYML-TWGQIWQCSA-N 0 0 307.271 3.764 50 0 DHAARN CC(C)(C)OC(=O)NCc1ccc(F)cc1Br ZINC000169743832 1021522954 /nfs/dbraw/zinc/52/29/54/1021522954.db2.gz IBAHCCLSLKSHEC-UHFFFAOYSA-N 0 0 304.159 3.613 50 0 DHAARN O=Cc1ccc(C(=O)/C=C\c2ccc(Br)cc2)o1 ZINC000033682461 1021710037 /nfs/dbraw/zinc/71/00/37/1021710037.db2.gz FUJYWBCGJFEAMB-CLTKARDFSA-N 0 0 305.127 3.751 50 0 DHAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)c3cccs3)C2)cc1 ZINC000581788649 1021838959 /nfs/dbraw/zinc/83/89/59/1021838959.db2.gz RMKKKVWYTYHYDV-HNNXBMFYSA-N 0 0 315.438 3.988 50 0 DHAARN Cc1ccc(OCC[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000581789603 1021843004 /nfs/dbraw/zinc/84/30/04/1021843004.db2.gz ZIMUPVRAISBCHY-INIZCTEOSA-N 0 0 301.430 3.803 50 0 DHAARN Cc1cnc(CCNC(=O)C2CC2)n1C1CCCCCCC1 ZINC000581815693 1021850769 /nfs/dbraw/zinc/85/07/69/1021850769.db2.gz GIHDPQONWQRFMM-UHFFFAOYSA-N 0 0 303.450 3.546 50 0 DHAARN Cc1ccccc1[C@@H]1CCCN1C(=O)CCc1ccccc1N ZINC000261908795 1021851986 /nfs/dbraw/zinc/85/19/86/1021851986.db2.gz PYBGEWNJHWCTAC-IBGZPJMESA-N 0 0 308.425 3.874 50 0 DHAARN CCCn1c(C)cnc1[C@H]1CCN(C(=O)CC2CCCCC2)C1 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Cc1ccc(OCC[C@H]2CCN(C(=O)CC(F)(F)F)C2)cc1 ZINC000257197107 1022272567 /nfs/dbraw/zinc/27/25/67/1022272567.db2.gz ZLTSVSVADKLVQV-CYBMUJFWSA-N 0 0 315.335 3.565 50 0 DHAARN Cc1cc(CSc2n[nH]c(C=Cc3cccs3)n2)no1 ZINC000014334952 1022415401 /nfs/dbraw/zinc/41/54/01/1022415401.db2.gz DVULAZUUBBHLDL-SNAWJCMRSA-N 0 0 304.400 3.625 50 0 DHAARN CC(=O)O[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000085722621 1022453990 /nfs/dbraw/zinc/45/39/90/1022453990.db2.gz QWMWZEMANMVJOO-XOBRGWDASA-N 0 0 323.392 3.725 50 0 DHAARN O=C(NC[C@H](c1ccsc1)c1ccco1)[C@H]1CC=CCC1 ZINC000675007814 1022732077 /nfs/dbraw/zinc/73/20/77/1022732077.db2.gz SETSBGHFFGPKKJ-DZGCQCFKSA-N 0 0 301.411 3.946 50 0 DHAARN O=C(Cc1ccccc1Cl)N1CC[C@@H](c2ccsc2)C1 ZINC000675008108 1022732216 /nfs/dbraw/zinc/73/22/16/1022732216.db2.gz AQAMJCJKOVZYCG-CYBMUJFWSA-N 0 0 305.830 3.960 50 0 DHAARN O=C(NC[C@@H](c1ccsc1)c1ccco1)[C@H]1CC=CCC1 ZINC000675007817 1022732706 /nfs/dbraw/zinc/73/27/06/1022732706.db2.gz SETSBGHFFGPKKJ-ZFWWWQNUSA-N 0 0 301.411 3.946 50 0 DHAARN O=C(Nc1ccc(Cl)nc1)N1CCC(c2ccncc2)CC1 ZINC000190457355 1022917946 /nfs/dbraw/zinc/91/79/46/1022917946.db2.gz NYYLHBIGSIIDHN-UHFFFAOYSA-N 0 0 316.792 3.542 50 0 DHAARN CCO[C@H](C)c1nc(CN(C)[C@H]2CC[C@H](SC)C2)cs1 ZINC000252671887 1023045569 /nfs/dbraw/zinc/04/55/69/1023045569.db2.gz ONHFDBMGEAIMQJ-XBFCOCLRSA-N 0 0 314.520 3.957 50 0 DHAARN CCOc1ccc(CC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000184682311 1023065417 /nfs/dbraw/zinc/06/54/17/1023065417.db2.gz MGNJFNFRTYWUMH-UHFFFAOYSA-N 0 0 321.420 3.702 50 0 DHAARN Cc1ccccc1N=c1scc(-c2ccccc2)n1CCO ZINC000252673633 1023120830 /nfs/dbraw/zinc/12/08/30/1023120830.db2.gz RGLAGLUAFMMUPH-UHFFFAOYSA-N 0 0 310.422 3.750 50 0 DHAARN O=C(OCc1nccs1)c1csc(-c2ccccc2)n1 ZINC000049014879 1023835406 /nfs/dbraw/zinc/83/54/06/1023835406.db2.gz UPFKBSNOSUMKRN-UHFFFAOYSA-N 0 0 302.380 3.624 50 0 DHAARN COc1cc(Br)cc(C=Nc2ccccc2)c1O ZINC000254517495 1023988869 /nfs/dbraw/zinc/98/88/69/1023988869.db2.gz ATCUYZPXIHPUEG-UHFFFAOYSA-N 0 0 306.159 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192399185 /nfs/dbraw/zinc/39/91/85/192399185.db2.gz NVOZCMBJQWSYJM-SECBINFHSA-N 0 0 312.485 3.564 50 0 DHAARN Clc1cncc(Cl)c1-c1nccn1C[C@@H]1CCCCO1 ZINC000071479377 190983902 /nfs/dbraw/zinc/98/39/02/190983902.db2.gz LWRCXGYRTIHWIB-JTQLQIEISA-N 0 0 312.200 3.821 50 0 DHAARN Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 ZINC000071638869 190996474 /nfs/dbraw/zinc/99/64/74/190996474.db2.gz SCTBVYIANNENKA-HNNXBMFYSA-N 0 0 316.376 3.607 50 0 DHAARN CCCc1nnc2sc(Cc3c(C)[nH]c4ccccc43)nn12 ZINC000071711961 191010539 /nfs/dbraw/zinc/01/05/39/191010539.db2.gz YFKVNZZXUCDZOO-UHFFFAOYSA-N 0 0 311.414 3.519 50 0 DHAARN Cc1ccc(-c2ccnc(N[C@@H](C)Cc3cccnc3)n2)c(C)n1 ZINC000071712286 191011342 /nfs/dbraw/zinc/01/13/42/191011342.db2.gz VRMTXDYWOIKYQI-AWEZNQCLSA-N 0 0 319.412 3.594 50 0 DHAARN CC(C)c1ccccc1NC(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000071712069 191011360 /nfs/dbraw/zinc/01/13/60/191011360.db2.gz IYQMGBAZLSQIHH-CYBMUJFWSA-N 0 0 316.323 3.605 50 0 DHAARN COc1ccc(OC)c(-n2ccnc2[C@@H]2CCOC(C)(C)C2)c1 ZINC000071748257 191021083 /nfs/dbraw/zinc/02/10/83/191021083.db2.gz QKEFFDCURCMOHO-CYBMUJFWSA-N 0 0 316.401 3.562 50 0 DHAARN c1cn(Cc2cnc(-c3ccccc3)s2)c([C@H]2CCOC2)n1 ZINC000071755272 191024970 /nfs/dbraw/zinc/02/49/70/191024970.db2.gz UYEMPSZVLWTATE-AWEZNQCLSA-N 0 0 311.410 3.559 50 0 DHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN(C)Cc1ccno1 ZINC000071760725 191025601 /nfs/dbraw/zinc/02/56/01/191025601.db2.gz KUTQRIYLXKDNIK-UHFFFAOYSA-N 0 0 317.776 3.923 50 0 DHAARN CSc1ccc(-c2nccn2CCc2c(C)n[nH]c2C)cc1 ZINC000071759896 191025618 /nfs/dbraw/zinc/02/56/18/191025618.db2.gz UIGKLZPMWDQZOY-UHFFFAOYSA-N 0 0 312.442 3.855 50 0 DHAARN Cc1ccc(C)c(C(=O)N2CCO[C@@H](CCCC(C)C)C2)c1 ZINC000071760704 191025955 /nfs/dbraw/zinc/02/59/55/191025955.db2.gz UAOIJNKLKWLGHE-KRWDZBQOSA-N 0 0 303.446 3.971 50 0 DHAARN Cc1cccnc1C[C@@H](C)n1ccnc1-c1ccc2c(c1)OCO2 ZINC000071765078 191026971 /nfs/dbraw/zinc/02/69/71/191026971.db2.gz PAPDZYVROAVCLC-CQSZACIVSA-N 0 0 321.380 3.786 50 0 DHAARN FC(F)(F)[C@@H]1CN(c2ccnc3ccc(Cl)cc32)CCO1 ZINC000071765376 191027808 /nfs/dbraw/zinc/02/78/08/191027808.db2.gz FCXXBWPJERDHIS-ZDUSSCGKSA-N 0 0 316.710 3.656 50 0 DHAARN COc1ccc([C@H](O)[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767110 191029014 /nfs/dbraw/zinc/02/90/14/191029014.db2.gz UJJIBJRDEZHVNN-UXHICEINSA-N 0 0 305.377 3.956 50 0 DHAARN COc1cccc([C@H](O)[C@H](c2ccccc2)c2ccccn2)c1 ZINC000071767118 191029075 /nfs/dbraw/zinc/02/90/75/191029075.db2.gz JKQIICOUQXAZEI-UXHICEINSA-N 0 0 305.377 3.956 50 0 DHAARN Cn1nc(-c2nccn2Cc2cccnc2)c2c1cccc2Cl ZINC000071768087 191029527 /nfs/dbraw/zinc/02/95/27/191029527.db2.gz WGWHWRZMAAJWJE-UHFFFAOYSA-N 0 0 323.787 3.534 50 0 DHAARN Cc1nn(C)c2c1[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000072117690 191038615 /nfs/dbraw/zinc/03/86/15/191038615.db2.gz MXGMJGGIUISRII-VIFPVBQESA-N 0 0 310.184 3.509 50 0 DHAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000072117363 191038887 /nfs/dbraw/zinc/03/88/87/191038887.db2.gz HQGVORSHVVCMDF-GFCCVEGCSA-N 0 0 303.793 3.766 50 0 DHAARN CCc1cc(N[C@H](C)c2nc(C)sc2C)n2nccc2n1 ZINC000072143778 191049826 /nfs/dbraw/zinc/04/98/26/191049826.db2.gz IJTBALDDFVHMFB-SECBINFHSA-N 0 0 301.419 3.538 50 0 DHAARN Fc1ccc(-c2n[nH]cc2CNc2ccc3cc[nH]c3n2)cc1 ZINC000072151223 191056347 /nfs/dbraw/zinc/05/63/47/191056347.db2.gz VXSMMAXUDFWLSG-UHFFFAOYSA-N 0 0 307.332 3.704 50 0 DHAARN COc1ccnc(CN2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000072152396 191057923 /nfs/dbraw/zinc/05/79/23/191057923.db2.gz FOULJEWZJKOGOI-SFHVURJKSA-N 0 0 300.377 3.957 50 0 DHAARN CCc1nnc(CN2CCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000072155019 191059433 /nfs/dbraw/zinc/05/94/33/191059433.db2.gz QXVUAWRAXIAASC-GFCCVEGCSA-N 0 0 314.414 3.579 50 0 DHAARN COC(=O)c1cc(CN(C)[C@H](C)c2nc(C)sc2C)cs1 ZINC000072158367 191061389 /nfs/dbraw/zinc/06/13/89/191061389.db2.gz BPQKDDNUHXRZBU-SECBINFHSA-N 0 0 324.471 3.801 50 0 DHAARN CCCCc1nc(-c2nccn2[C@H](C)c2ccc(C)nc2)c[nH]1 ZINC000072158856 191062549 /nfs/dbraw/zinc/06/25/49/191062549.db2.gz YKLQHHCMGVODMY-CQSZACIVSA-N 0 0 309.417 3.929 50 0 DHAARN CCN(C/C=C/c1ccccc1)C(=O)c1cccc2ccnn21 ZINC000072166734 191066979 /nfs/dbraw/zinc/06/69/79/191066979.db2.gz GWAZIBWRISDLQU-JXMROGBWSA-N 0 0 305.381 3.510 50 0 DHAARN Fc1ccc(N[C@H]2CCCN(c3cnc4ccccc4n3)C2)cc1 ZINC000072167881 191067039 /nfs/dbraw/zinc/06/70/39/191067039.db2.gz IFBRSNBXYUIJHE-INIZCTEOSA-N 0 0 322.387 3.850 50 0 DHAARN Brc1cnc2c(OCc3ccccc3)cccn12 ZINC000072190677 191073342 /nfs/dbraw/zinc/07/33/42/191073342.db2.gz MNOURXQMSYWOFL-UHFFFAOYSA-N 0 0 303.159 3.676 50 0 DHAARN CCOc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2occc21 ZINC000072240135 191084070 /nfs/dbraw/zinc/08/40/70/191084070.db2.gz WXICOQBEYFEUDZ-CHWSQXEVSA-N 0 0 301.386 3.950 50 0 DHAARN COc1ccc(CC(=O)Nc2cnc(C)c(Cl)c2C)cc1 ZINC000072265134 191090245 /nfs/dbraw/zinc/09/02/45/191090245.db2.gz OYRJXXWDRRACOD-UHFFFAOYSA-N 0 0 304.777 3.542 50 0 DHAARN CC(C)N(Cc1cccnc1)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000072271088 191094444 /nfs/dbraw/zinc/09/44/44/191094444.db2.gz SAZCLTWIBVYJFN-LJQANCHMSA-N 0 0 323.440 3.559 50 0 DHAARN CC1=CCC[C@@H](C)[C@@H]1CNc1cccc(CS(C)(=O)=O)c1 ZINC000152638302 186092811 /nfs/dbraw/zinc/09/28/11/186092811.db2.gz VMSBOSITMHRFCF-RHSMWYFYSA-N 0 0 307.459 3.636 50 0 DHAARN O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000171446878 186161382 /nfs/dbraw/zinc/16/13/82/186161382.db2.gz AZOJBALESCTRCR-UHFFFAOYSA-N 0 0 313.332 3.745 50 0 DHAARN C[C@@H]1CCCCN1C(=O)c1ccc(N[C@@H]2CCSC2)cc1 ZINC000225635655 186285503 /nfs/dbraw/zinc/28/55/03/186285503.db2.gz KSPXXCGCTSRLFY-CZUORRHYSA-N 0 0 304.459 3.619 50 0 DHAARN Cc1csc(NC(=O)c2ccc(Oc3nccs3)cc2)n1 ZINC000225635925 186285780 /nfs/dbraw/zinc/28/57/80/186285780.db2.gz FFOGTNWICQXAML-UHFFFAOYSA-N 0 0 317.395 3.953 50 0 DHAARN Cc1nnc2ccc(N[C@H]3CC(C)(C)CCc4ccccc43)nn12 ZINC000225644925 186286243 /nfs/dbraw/zinc/28/62/43/186286243.db2.gz UVIAFNSGQPCRJL-INIZCTEOSA-N 0 0 321.428 3.948 50 0 DHAARN CCN(C(=O)c1cscn1)c1ccc(C(F)(F)F)cc1 ZINC000253392121 186303214 /nfs/dbraw/zinc/30/32/14/186303214.db2.gz OKZNDLAGOSPHLU-UHFFFAOYSA-N 0 0 300.305 3.829 50 0 DHAARN COc1ccccc1N1CC[C@H](CNc2ccc(Cl)cn2)C1 ZINC000072302471 191115296 /nfs/dbraw/zinc/11/52/96/191115296.db2.gz DRGIWBHQXHDRRF-CYBMUJFWSA-N 0 0 317.820 3.682 50 0 DHAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccnc(OCC2CC2)c1 ZINC000253400897 186307173 /nfs/dbraw/zinc/30/71/73/186307173.db2.gz MDSRYSUGVSSTMK-GOSISDBHSA-N 0 0 322.408 3.678 50 0 DHAARN Cc1noc(-c2cncnc2Nc2cccc(C(F)(F)F)c2)n1 ZINC000253405043 186307630 /nfs/dbraw/zinc/30/76/30/186307630.db2.gz RSGIUPQXRAQFAQ-UHFFFAOYSA-N 0 0 321.262 3.597 50 0 DHAARN CCCCNC(=O)c1c[nH]nc1-c1ccc(OCC)c(Cl)c1 ZINC000072329312 191123910 /nfs/dbraw/zinc/12/39/10/191123910.db2.gz CPZYLQCEPLQBRN-UHFFFAOYSA-N 0 0 321.808 3.659 50 0 DHAARN CC(=O)Nc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1 ZINC000072331667 191125122 /nfs/dbraw/zinc/12/51/22/191125122.db2.gz IBFGYIJXWDNBMC-UHFFFAOYSA-N 0 0 310.397 3.698 50 0 DHAARN CCOc1cc(CNC(=O)c2ccccc2Cl)ccc1OC ZINC000072331440 191125561 /nfs/dbraw/zinc/12/55/61/191125561.db2.gz BWXQZUBPNYUTPE-UHFFFAOYSA-N 0 0 319.788 3.677 50 0 DHAARN Cc1ccc(F)c(C(=O)N2CCC(c3ncc[nH]3)CC2)c1Cl ZINC000072407407 191152646 /nfs/dbraw/zinc/15/26/46/191152646.db2.gz QDJZQDBGBAKXNQ-UHFFFAOYSA-N 0 0 321.783 3.530 50 0 DHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000000067081 180682695 /nfs/dbraw/zinc/68/26/95/180682695.db2.gz JLOPWCVVRHEVAL-NSHDSACASA-N 0 0 314.772 3.718 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N(C)C)cc1 ZINC000000068329 180682938 /nfs/dbraw/zinc/68/29/38/180682938.db2.gz PBEQFOAMSDRXNN-UHFFFAOYSA-N 0 0 321.380 3.968 50 0 DHAARN CC[C@@H]1C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(F)cc1 ZINC000000089809 180689122 /nfs/dbraw/zinc/68/91/22/180689122.db2.gz GXIPECVEQGBITQ-LSDHHAIUSA-N 0 0 304.361 3.969 50 0 DHAARN CCSCCNc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072418592 191156649 /nfs/dbraw/zinc/15/66/49/191156649.db2.gz CUKODSIASCGKKV-UHFFFAOYSA-N 0 0 316.405 3.700 50 0 DHAARN CCCN(CC1CC1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072419620 191157317 /nfs/dbraw/zinc/15/73/17/191157317.db2.gz LIFZNVYPWMJNHU-UHFFFAOYSA-N 0 0 303.446 3.652 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000000072433 180684197 /nfs/dbraw/zinc/68/41/97/180684197.db2.gz IZICSYDYKXABAC-UHFFFAOYSA-N 0 0 318.376 3.979 50 0 DHAARN CCSc1ncc(-c2nccn2[C@H](C)c2ccco2)cn1 ZINC000072420041 191157693 /nfs/dbraw/zinc/15/76/93/191157693.db2.gz GQDIDMXNQJMPHF-LLVKDONJSA-N 0 0 300.387 3.654 50 0 DHAARN Cc1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)c(C)c1 ZINC000000075746 180685123 /nfs/dbraw/zinc/68/51/23/180685123.db2.gz GKJILKJRKGHERB-UHFFFAOYSA-N 0 0 316.426 3.656 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000000078809 180685832 /nfs/dbraw/zinc/68/58/32/180685832.db2.gz PHRYRDKIAUSFLY-OAHLLOKOSA-N 0 0 318.417 3.641 50 0 biogenic DHAARN C[C@@H]1CN(C(=S)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000000079439 180686315 /nfs/dbraw/zinc/68/63/15/180686315.db2.gz BYHXGPOWQFEEGT-NXEZZACHSA-N 0 0 318.364 3.511 50 0 DHAARN CC[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)OC ZINC000000084828 180687812 /nfs/dbraw/zinc/68/78/12/180687812.db2.gz ODLKDTZHGZCMIK-SNVBAGLBSA-N 0 0 322.455 3.614 50 0 DHAARN CC1(C)Cc2nc(NC(=O)c3ccccc3)sc2C(=O)C1 ZINC000000096576 180691446 /nfs/dbraw/zinc/69/14/46/180691446.db2.gz HRYGWQGTSUEQIC-UHFFFAOYSA-N 0 0 300.383 3.551 50 0 DHAARN CN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@@H]1CCCC[C@H]1O ZINC000072437672 191165673 /nfs/dbraw/zinc/16/56/73/191165673.db2.gz KFBUKNQVZPRJGU-IAGOWNOFSA-N 0 0 323.392 3.962 50 0 DHAARN CCOC(=O)c1cccc(Nc2ncnc3ccc(C)cc32)c1 ZINC000000122937 180700051 /nfs/dbraw/zinc/70/00/51/180700051.db2.gz LWFRPABFRKFROJ-UHFFFAOYSA-N 0 0 307.353 3.859 50 0 DHAARN Nc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1 ZINC000000124082 180700723 /nfs/dbraw/zinc/70/07/23/180700723.db2.gz HVPDAHDCOOJUMW-UHFFFAOYSA-N 0 0 307.140 3.688 50 0 DHAARN COc1ccc(OC)c(CCCc2cc(OC)ccc2OC)c1 ZINC000000136036 180704490 /nfs/dbraw/zinc/70/44/90/180704490.db2.gz ZKJZRGOPDVVOSR-UHFFFAOYSA-N 0 0 316.397 3.896 50 0 DHAARN O=c1cc(-c2cc(Cl)cc3c2OCOC3)oc2ccccc12 ZINC000000138827 180705394 /nfs/dbraw/zinc/70/53/94/180705394.db2.gz MOICRBBIYUJOBR-UHFFFAOYSA-N 0 0 314.724 3.980 50 0 biogenic DHAARN CC(C)(C)C=Cc1nccc(-c2ccccc2)c1-c1nn[nH]n1 ZINC000072447034 191168701 /nfs/dbraw/zinc/16/87/01/191168701.db2.gz YHLPUTWKZMUDLK-PKNBQFBNSA-N 0 0 305.385 3.988 50 0 DHAARN O=C(c1ccco1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072447818 191168767 /nfs/dbraw/zinc/16/87/67/191168767.db2.gz ZQQREDFPSULDAH-AWEZNQCLSA-N 0 0 313.332 3.662 50 0 DHAARN Cn1ccnc1-c1nccn1CC1(c2ccc(Cl)cc2)CC1 ZINC000072439302 191167282 /nfs/dbraw/zinc/16/72/82/191167282.db2.gz MIWSHJYPPMREFL-UHFFFAOYSA-N 0 0 312.804 3.669 50 0 DHAARN Fc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)nc1 ZINC000072454102 191171692 /nfs/dbraw/zinc/17/16/92/191171692.db2.gz APIYJGPUWUFUQK-UHFFFAOYSA-N 0 0 319.343 3.771 50 0 DHAARN CCc1ccnc(NC(=O)c2ccc(C(F)(F)F)nc2C)c1 ZINC000000151168 180709595 /nfs/dbraw/zinc/70/95/95/180709595.db2.gz HNIAGKOLQXUHRT-UHFFFAOYSA-N 0 0 309.291 3.619 50 0 DHAARN CCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000000151115 180710055 /nfs/dbraw/zinc/71/00/55/180710055.db2.gz NNDIKKDYUNGUBR-UHFFFAOYSA-N 0 0 311.204 3.921 50 0 DHAARN COC1(c2ccccc2)CCN(c2ccc3cc[nH]c3n2)CC1 ZINC000072472954 191176277 /nfs/dbraw/zinc/17/62/77/191176277.db2.gz SYUDFJGVAMYJLZ-UHFFFAOYSA-N 0 0 307.397 3.705 50 0 DHAARN Cc1nnsc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000156171 180710906 /nfs/dbraw/zinc/71/09/06/180710906.db2.gz UYVFSVRGHIETBL-UHFFFAOYSA-N 0 0 311.366 3.891 50 0 DHAARN COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(C)=O)cc1 ZINC000000159476 180711695 /nfs/dbraw/zinc/71/16/95/180711695.db2.gz PPHONOZCKMNSAN-AZUAARDMSA-N 0 0 320.392 3.565 50 0 DHAARN CCc1cc([C@H](C)Nc2cc(CC)nc3c(C)c(C)nn32)on1 ZINC000072477296 191180087 /nfs/dbraw/zinc/18/00/87/191180087.db2.gz NUBMDBGRGIIONC-LBPRGKRZSA-N 0 0 313.405 3.632 50 0 DHAARN COc1cccc(C(=O)Nc2c3c(nc4c2CCCC4)CCC3)c1 ZINC000000198614 180722947 /nfs/dbraw/zinc/72/29/47/180722947.db2.gz NOKRZNUHHFKIFH-UHFFFAOYSA-N 0 0 322.408 3.710 50 0 DHAARN O=C(Cc1ccccc1)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000000198606 180723059 /nfs/dbraw/zinc/72/30/59/180723059.db2.gz PXUNRLKVYOMHCE-UHFFFAOYSA-N 0 0 306.409 3.630 50 0 DHAARN Cc1ccc(CNC(=O)CSCc2cccc(F)c2)cc1 ZINC000000260413 180740383 /nfs/dbraw/zinc/74/03/83/180740383.db2.gz RICQEPPPXGZDJF-UHFFFAOYSA-N 0 0 303.402 3.684 50 0 DHAARN COc1ccccc1N(C)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000072578978 191195891 /nfs/dbraw/zinc/19/58/91/191195891.db2.gz PTMIGZDSANIAPV-UHFFFAOYSA-N 0 0 313.332 3.521 50 0 DHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000314837 180756536 /nfs/dbraw/zinc/75/65/36/180756536.db2.gz YQXOFTBSZJXNEU-UHFFFAOYSA-N 0 0 322.792 3.914 50 0 DHAARN COc1ccc(C=O)cc1OC(=O)c1cccc2ccccc21 ZINC000000317354 180757713 /nfs/dbraw/zinc/75/77/13/180757713.db2.gz DKSLPCOCHLGSAW-UHFFFAOYSA-N 0 0 306.317 3.880 50 0 DHAARN O=C(c1ccccc1)[C@H](c1ccccc1)n1nnc2ccccc21 ZINC000000317877 180757960 /nfs/dbraw/zinc/75/79/60/180757960.db2.gz DVVYSUCBMDZKKF-IBGZPJMESA-N 0 0 313.360 3.904 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl ZINC000000355432 180765277 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/nfs/dbraw/zinc/17/22/30/181172230.db2.gz WJBMRHSXFAMPLP-BWPKMQGJSA-N 0 0 323.392 3.969 50 0 DHAARN CCCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc21 ZINC000004918842 181172849 /nfs/dbraw/zinc/17/28/49/181172849.db2.gz VDMFXQGQFFXFGQ-UHFFFAOYSA-N 0 0 307.419 3.912 50 0 DHAARN Cc1cc(C)n(CCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000004923804 181173456 /nfs/dbraw/zinc/17/34/56/181173456.db2.gz QLSFDSABEJHJQI-UHFFFAOYSA-N 0 0 312.200 3.836 50 0 DHAARN CCn1c2ccccc2nc1SCC(=O)N1CCCCCC1 ZINC000004939586 181175831 /nfs/dbraw/zinc/17/58/31/181175831.db2.gz PWZNOCARJCKKCG-UHFFFAOYSA-N 0 0 317.458 3.551 50 0 DHAARN CCN(c1ccccc1C)S(=O)(=O)c1cc(C)ccc1C ZINC000073632211 191332161 /nfs/dbraw/zinc/33/21/61/191332161.db2.gz PKFPHCVPSRDQFH-UHFFFAOYSA-N 0 0 303.427 3.827 50 0 DHAARN Cc1nc(Cl)cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000074941207 191392103 /nfs/dbraw/zinc/39/21/03/191392103.db2.gz HTZUAHFWQVAMPM-NSHDSACASA-N 0 0 311.813 3.553 50 0 DHAARN CN(Cc1nccs1)C(=O)NCc1csc2ccccc12 ZINC000074853074 191373599 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181189948 /nfs/dbraw/zinc/18/99/48/181189948.db2.gz VHHXWTOCMOIJQC-WUXMJOGZSA-N 0 0 322.748 3.878 50 0 DHAARN CC(C)(C)c1nnc2sc(COc3ccccc3Cl)nn21 ZINC000005015494 181190792 /nfs/dbraw/zinc/19/07/92/181190792.db2.gz BCSWWXLCPYSOOO-UHFFFAOYSA-N 0 0 322.821 3.716 50 0 DHAARN CCc1c(C(=O)Nc2ccc(C(C)=O)cc2)[nH]c(C)c1C(C)=O ZINC000005026099 181192728 /nfs/dbraw/zinc/19/27/28/181192728.db2.gz WFYCAJRHOKYWJS-UHFFFAOYSA-N 0 0 312.369 3.543 50 0 DHAARN CCn1c2cnccc2nc(Nc2cccc(C(C)C)c2)c1=O ZINC000075877502 191529203 /nfs/dbraw/zinc/52/92/03/191529203.db2.gz INWQGMCEFOFXAL-UHFFFAOYSA-N 0 0 308.385 3.678 50 0 DHAARN O=C(c1ccc2c(Cl)c3c(nc2c1)CCC3)N1CCCC1 ZINC000005034082 181194599 /nfs/dbraw/zinc/19/45/99/181194599.db2.gz MHSIZSHAOHMZDW-UHFFFAOYSA-N 0 0 300.789 3.613 50 0 DHAARN Cc1ccc(-c2nnc(Sc3nc(C)nc(C)c3C)o2)cc1 ZINC000076093069 191577050 /nfs/dbraw/zinc/57/70/50/191577050.db2.gz MXSUPWZJGWNWJN-UHFFFAOYSA-N 0 0 312.398 3.911 50 0 DHAARN COc1cccc(-c2c(N)oc3ccc(Cl)cc3c2=O)c1 ZINC000005031603 181194185 /nfs/dbraw/zinc/19/41/85/181194185.db2.gz IZQNNFOXNZPUBQ-UHFFFAOYSA-N 0 0 301.729 3.704 50 0 DHAARN CO[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000076500029 191656043 /nfs/dbraw/zinc/65/60/43/191656043.db2.gz SFCIKNMDWHSXHX-SFHVURJKSA-N 0 0 324.424 3.920 50 0 DHAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)cc1 ZINC000005055263 181197847 /nfs/dbraw/zinc/19/78/47/181197847.db2.gz LBRAMJDCSCZEJD-IBGZPJMESA-N 0 0 320.392 3.919 50 0 biogenic DHAARN O=C(NCC[C@@H](O)c1cccc2ccccc21)c1ccccc1F ZINC000077116360 191662621 /nfs/dbraw/zinc/66/26/21/191662621.db2.gz KGFMXMDGOSJBDG-LJQANCHMSA-N 0 0 323.367 3.832 50 0 DHAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)C1CCCCC1 ZINC000077376605 191703380 /nfs/dbraw/zinc/70/33/80/191703380.db2.gz UNCFIZYIAGBASR-MRXNPFEDSA-N 0 0 300.446 3.552 50 0 DHAARN CSc1ccc(Cn2nnc(-c3cccc(Cl)c3)n2)cc1 ZINC000005088683 181202310 /nfs/dbraw/zinc/20/23/10/181202310.db2.gz MFQMTYQOGYNGFW-UHFFFAOYSA-N 0 0 316.817 3.764 50 0 DHAARN Nc1cc(-c2cccc(Br)c2)nn1-c1ccccc1 ZINC000005091514 181202384 /nfs/dbraw/zinc/20/23/84/181202384.db2.gz LZRWJPLIQCIMSW-UHFFFAOYSA-N 0 0 314.186 3.884 50 0 DHAARN COCC1(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000077523047 191732360 /nfs/dbraw/zinc/73/23/60/191732360.db2.gz SAUFVDXUMXNBFQ-MRXNPFEDSA-N 0 0 305.393 3.696 50 0 DHAARN CC(C)n1cnnc1CN(C)c1ccnc2cc(Cl)ccc21 ZINC000077423293 191712288 /nfs/dbraw/zinc/71/22/88/191712288.db2.gz QVXANJTYOFOICQ-UHFFFAOYSA-N 0 0 315.808 3.697 50 0 DHAARN CSC[C@@H](C)N(C)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000077475929 191721750 /nfs/dbraw/zinc/72/17/50/191721750.db2.gz FGZBVTLNNNENOW-CYBMUJFWSA-N 0 0 309.479 3.746 50 0 DHAARN CC(C)c1ccc(NC(=O)Cn2cc3c(n2)CC[C@H](C)C3)cc1 ZINC000005148432 181209576 /nfs/dbraw/zinc/20/95/76/181209576.db2.gz QMPBMBMRPYAJCB-AWEZNQCLSA-N 0 0 311.429 3.770 50 0 DHAARN Cc1ccccc1-c1nc(-c2cc3cccc(C)c3[nH]c2=O)no1 ZINC000005156333 181210940 /nfs/dbraw/zinc/21/09/40/181210940.db2.gz XOFDDDVCWPZULF-UHFFFAOYSA-N 0 0 317.348 3.862 50 0 DHAARN COCc1c2ccccc2oc1C(=O)OCC(=O)c1ccccc1 ZINC000005203304 181216156 /nfs/dbraw/zinc/21/61/56/181216156.db2.gz XAZVUXJTTQYYGO-UHFFFAOYSA-N 0 0 324.332 3.619 50 0 DHAARN Cc1ccccc1-c1nnn(Cc2ccccc2C(F)(F)F)n1 ZINC000005169733 181213222 /nfs/dbraw/zinc/21/32/22/181213222.db2.gz JKJYQDSCNLMFAC-UHFFFAOYSA-N 0 0 318.302 3.716 50 0 DHAARN Cc1nc2c(-c3ccccc3)cnn2c(NC[C@H]2CCCO2)c1C ZINC000005205778 181216306 /nfs/dbraw/zinc/21/63/06/181216306.db2.gz JEVFWBOPSPQKSV-MRXNPFEDSA-N 0 0 322.412 3.604 50 0 DHAARN COc1cccc(CCNC(=O)Nc2cn(C)c3ccccc23)c1 ZINC000005265738 181224083 /nfs/dbraw/zinc/22/40/83/181224083.db2.gz WOYRMHUFRZPANZ-UHFFFAOYSA-N 0 0 323.396 3.551 50 0 DHAARN COCCn1cc(NC(=O)N2CCC[C@@H](C)C2)c2ccccc21 ZINC000005266245 181224195 /nfs/dbraw/zinc/22/41/95/181224195.db2.gz SSKIBXVNFIVXFQ-CQSZACIVSA-N 0 0 315.417 3.552 50 0 DHAARN COCCn1cc(NC(=O)N2CCC[C@H](C)C2)c2ccccc21 ZINC000005266246 181224367 /nfs/dbraw/zinc/22/43/67/181224367.db2.gz SSKIBXVNFIVXFQ-AWEZNQCLSA-N 0 0 315.417 3.552 50 0 DHAARN Cc1c(C(=O)Nc2ccc3[nH]ccc3c2)cnn1-c1ccccc1 ZINC000079482338 191941892 /nfs/dbraw/zinc/94/18/92/191941892.db2.gz IQECIYAXBUQDDE-UHFFFAOYSA-N 0 0 316.364 3.914 50 0 DHAARN CC(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21 ZINC000005252257 181222412 /nfs/dbraw/zinc/22/24/12/181222412.db2.gz JVHWVUSDBOGPFA-UHFFFAOYSA-N 0 0 322.408 3.855 50 0 DHAARN CCCc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc32)cc1 ZINC000005360344 181234592 /nfs/dbraw/zinc/23/45/92/181234592.db2.gz QTUZFWABLOJGNO-UHFFFAOYSA-N 0 0 322.364 3.555 50 0 DHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1O ZINC000005394963 181238811 /nfs/dbraw/zinc/23/88/11/181238811.db2.gz DBUICLKEUXDSCF-UHFFFAOYSA-N 0 0 304.349 3.630 50 0 DHAARN Cc1cccc(Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 ZINC000005401475 181239611 /nfs/dbraw/zinc/23/96/11/181239611.db2.gz DJROVOPGZWILMI-UHFFFAOYSA-N 0 0 304.393 3.884 50 0 DHAARN COc1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1F ZINC000005400681 181239669 /nfs/dbraw/zinc/23/96/69/181239669.db2.gz YGDFIVRVHHVGQP-UHFFFAOYSA-N 0 0 319.405 3.930 50 0 DHAARN O=C(/C=C/c1c(F)cccc1Cl)NCc1ccc(F)cc1 ZINC000005405058 181240159 /nfs/dbraw/zinc/24/01/59/181240159.db2.gz UHTJASSQZHEQED-CMDGGOBGSA-N 0 0 307.727 3.948 50 0 DHAARN O=C(NCc1c(F)cccc1F)Nc1c[nH]c2ccccc12 ZINC000005299908 181227934 /nfs/dbraw/zinc/22/79/34/181227934.db2.gz LDRYCGLZXOOVLB-UHFFFAOYSA-N 0 0 301.296 3.768 50 0 DHAARN CC(C)c1ccc(CSc2nnc(-c3ccco3)n2N)cc1 ZINC000005336034 181230856 /nfs/dbraw/zinc/23/08/56/181230856.db2.gz BHIPBFCILVXBMX-UHFFFAOYSA-N 0 0 314.414 3.668 50 0 DHAARN Cc1ccc(Cl)c2c1N(Cc1ccc(F)cc1)C(=O)C2=O ZINC000005354492 181233656 /nfs/dbraw/zinc/23/36/56/181233656.db2.gz JPECNUALEIOQAD-UHFFFAOYSA-N 0 0 303.720 3.517 50 0 DHAARN COc1ccc(Cl)cc1NCC(=O)Nc1ccc(C)cc1 ZINC000005414580 181240999 /nfs/dbraw/zinc/24/09/99/181240999.db2.gz JUDMGBSRFDSQKG-UHFFFAOYSA-N 0 0 304.777 3.708 50 0 DHAARN Cc1cc(NC(=O)CCc2ccccc2)ccc1N1CCCC1=O ZINC000005440004 181243748 /nfs/dbraw/zinc/24/37/48/181243748.db2.gz ZNBWBZJPBVACCN-UHFFFAOYSA-N 0 0 322.408 3.693 50 0 DHAARN CCSc1nnc2c(n1)O[C@](C)(CC)Nc1ccccc1-2 ZINC000005446784 181244479 /nfs/dbraw/zinc/24/44/79/181244479.db2.gz HLMITUPJKHUOHI-OAHLLOKOSA-N 0 0 302.403 3.581 50 0 DHAARN Cc1c(C)n(Cc2ccco2)c(N)c1-c1nc2ccccc2[nH]1 ZINC000005452361 181244696 /nfs/dbraw/zinc/24/46/96/181244696.db2.gz CTGSQJBCGCSAQA-UHFFFAOYSA-N 0 0 306.369 3.872 50 0 DHAARN O[C@]1(c2ccccc2)CC[C@H]2C[C@@H]1CC[C@]2(O)c1ccccc1 ZINC000005490171 181249374 /nfs/dbraw/zinc/24/93/74/181249374.db2.gz BIUHNCRPTSDNMC-TUFLPTIASA-N 0 0 308.421 3.972 50 0 DHAARN Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000080127819 192003657 /nfs/dbraw/zinc/00/36/57/192003657.db2.gz CTMITDMDXVJUDP-DMZKTXOQSA-N 0 0 316.426 3.615 50 0 DHAARN CC(=O)CSc1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000005556570 181256717 /nfs/dbraw/zinc/25/67/17/181256717.db2.gz FYLATTLWSDCPGL-UHFFFAOYSA-N 0 0 311.410 3.694 50 0 DHAARN O=C(Cc1ccccc1F)Nc1cccc(Br)c1 ZINC000005558305 181256966 /nfs/dbraw/zinc/25/69/66/181256966.db2.gz YCKBYKZNIGUKFQ-UHFFFAOYSA-N 0 0 308.150 3.769 50 0 DHAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000005560920 181257737 /nfs/dbraw/zinc/25/77/37/181257737.db2.gz XDBWCUBNIFCTAE-UHFFFAOYSA-N 0 0 321.380 3.925 50 0 DHAARN Cc1cc2oc(=O)cc(COC(=O)C3CCC3)c2cc1Cl ZINC000005507420 181251524 /nfs/dbraw/zinc/25/15/24/181251524.db2.gz QIBHNOJLNFVNKD-UHFFFAOYSA-N 0 0 306.745 3.598 50 0 DHAARN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000005604162 181262926 /nfs/dbraw/zinc/26/29/26/181262926.db2.gz HMKZVAZQKOKXRZ-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN C[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccncc1 ZINC000005636370 181266654 /nfs/dbraw/zinc/26/66/54/181266654.db2.gz FBJIPQWKOBVVEI-NEPJUHHUSA-N 0 0 300.427 3.759 50 0 DHAARN O=[S@@](c1snnc1-c1ccc(F)cc1)C1CCCCC1 ZINC000005675730 181270853 /nfs/dbraw/zinc/27/08/53/181270853.db2.gz HGMBOPNVFQMMEJ-FQEVSTJZSA-N 0 0 310.419 3.785 50 0 DHAARN COCc1c2ccccc2oc1C(=O)Nc1nc(C)cs1 ZINC000005678421 181271612 /nfs/dbraw/zinc/27/16/12/181271612.db2.gz DKCCMJKJLWZMLO-UHFFFAOYSA-N 0 0 302.355 3.596 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)c(F)c1 ZINC000005692107 181273232 /nfs/dbraw/zinc/27/32/32/181273232.db2.gz WONGXTPAOIIQGZ-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN CCCCCC[C@H](O)CCC1N=NC(=S)N1c1ccccc1 ZINC000005694826 181273338 /nfs/dbraw/zinc/27/33/38/181273338.db2.gz IXNCBIPRKHKNAH-HNNXBMFYSA-N 0 0 319.474 3.820 50 0 DHAARN C[C@H]1C[C@@H]1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000005693986 181273343 /nfs/dbraw/zinc/27/33/43/181273343.db2.gz VWULPBWPHNZFED-SJCJKPOMSA-N 0 0 306.361 3.640 50 0 DHAARN O=C(CC[C@@H]1CCCO1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000081287143 192245904 /nfs/dbraw/zinc/24/59/04/192245904.db2.gz NVOURHKYUIVOLI-CVEARBPZSA-N 0 0 319.470 3.586 50 0 DHAARN Cc1noc2ncnc(Sc3ccc(Br)cc3)c12 ZINC000005724644 181277344 /nfs/dbraw/zinc/27/73/44/181277344.db2.gz ARAJFNNRUIILLN-UHFFFAOYSA-N 0 0 322.187 3.840 50 0 DHAARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=O)ccc2O1 ZINC000005748712 181279864 /nfs/dbraw/zinc/27/98/64/181279864.db2.gz JXRYRJADFWVJKD-ZDUSSCGKSA-N 0 0 304.349 3.675 50 0 DHAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1ccc(F)cc1 ZINC000005731176 181277952 /nfs/dbraw/zinc/27/79/52/181277952.db2.gz LLUTWKDYIGZUAQ-ZROIWOOFSA-N 0 0 316.719 3.736 50 0 DHAARN O=C(Nc1cc(C(F)(F)F)ccc1O)[C@H]1C[C@H]1c1cccnc1 ZINC000081458865 192270963 /nfs/dbraw/zinc/27/09/63/192270963.db2.gz YCSXCYYIRZGKQK-RYUDHWBXSA-N 0 0 322.286 3.548 50 0 DHAARN Fc1c2c(cc(Br)c1F)nnn2C1CCCCC1 ZINC000085477210 192512393 /nfs/dbraw/zinc/51/23/93/192512393.db2.gz HGNWQMYWHZERSB-UHFFFAOYSA-N 0 0 316.149 3.977 50 0 DHAARN CC1(C)C[C@H](NC(=O)CC2(n3cccc3)CCCCC2)CCO1 ZINC000085874967 192537378 /nfs/dbraw/zinc/53/73/78/192537378.db2.gz ZCLZODKSRZEXNU-MRXNPFEDSA-N 0 0 318.461 3.611 50 0 biogenic DHAARN CCCOc1ccc(/C=C\C(=O)NCCc2ccccc2)cc1 ZINC000005852088 181289781 /nfs/dbraw/zinc/28/97/81/181289781.db2.gz STDZWKNSHVQWLE-RAXLEYEMSA-N 0 0 309.409 3.848 50 0 DHAARN Cc1noc(C)c1COC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000005861605 181290649 /nfs/dbraw/zinc/29/06/49/181290649.db2.gz YDNUHURCJYYLPU-UHFFFAOYSA-N 0 0 317.385 3.711 50 0 DHAARN Cc1ccc(CN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000005867541 181291926 /nfs/dbraw/zinc/29/19/26/181291926.db2.gz PBQOJLGCYQYXSO-UHFFFAOYSA-N 0 0 301.345 3.944 50 0 DHAARN CC[C@H]1C[C@@H](C(=O)N(CC(F)(F)F)c2ccccc2)CCO1 ZINC000180281214 199141844 /nfs/dbraw/zinc/14/18/44/199141844.db2.gz OLNMVKKTTGZBSP-JSGCOSHPSA-N 0 0 315.335 3.787 50 0 DHAARN COc1cccc2c1OC(C)(C)N1N=C(c3ccccc3)C[C@@H]21 ZINC000005915133 181296008 /nfs/dbraw/zinc/29/60/08/181296008.db2.gz GTDYDJGNLKYZNZ-INIZCTEOSA-N 0 0 308.381 3.975 50 0 DHAARN COc1ccc(OC)c(Nc2nc(-c3cccnc3)cs2)c1 ZINC000005931646 181296957 /nfs/dbraw/zinc/29/69/57/181296957.db2.gz LGYCTGCBRSDVFS-UHFFFAOYSA-N 0 0 313.382 3.966 50 0 DHAARN Cc1cnccc1CC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000185784766 199887060 /nfs/dbraw/zinc/88/70/60/199887060.db2.gz BKMPQWLXGRIOSG-YJYMSZOUSA-N 0 0 312.388 3.681 50 0 DHAARN CCS[C@@H]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C1 ZINC000089275036 192756087 /nfs/dbraw/zinc/75/60/87/192756087.db2.gz RSZCZIPBVWMZRJ-NUEKZKHPSA-N 0 0 321.490 3.848 50 0 DHAARN C[C@@H](Cc1ccccc1F)Nc1cccc(C[S@@](C)=O)c1 ZINC000188419795 200243322 /nfs/dbraw/zinc/24/33/22/200243322.db2.gz XDUFWSVMFPTERI-YEJXKQKISA-N 0 0 305.418 3.747 50 0 DHAARN O=C(c1cc2sccc2[nH]1)N1CCc2[nH]c3ccccc3c2C1 ZINC000188505068 200257844 /nfs/dbraw/zinc/25/78/44/200257844.db2.gz OTPXAYVJYCIPFO-UHFFFAOYSA-N 0 0 321.405 3.909 50 0 DHAARN CCC1(CC)Oc2ccc(NC(=O)c3ncoc3C)cc2O1 ZINC000188820204 200308058 /nfs/dbraw/zinc/30/80/58/200308058.db2.gz HLTJDIODYPCOTC-UHFFFAOYSA-N 0 0 302.330 3.523 50 0 DHAARN CC(C)[C@@H]1C[C@@H](CC(=O)N(CC(F)(F)F)C2CCC2)CCO1 ZINC000241466115 202463587 /nfs/dbraw/zinc/46/35/87/202463587.db2.gz NUYLZHGWFMMVKX-JSGCOSHPSA-N 0 0 321.383 3.771 50 0 DHAARN CC(C)=CCSc1nnc([C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000005954543 181300892 /nfs/dbraw/zinc/30/08/92/181300892.db2.gz VPCCMLGDZXZDKH-SNVBAGLBSA-N 0 0 313.423 3.714 50 0 DHAARN CCc1nnc(CNc2cccc(Cl)c2Br)o1 ZINC000190465437 200541116 /nfs/dbraw/zinc/54/11/16/200541116.db2.gz MNQNYIJRKHGDMI-UHFFFAOYSA-N 0 0 316.586 3.660 50 0 DHAARN CC(C)c1nnc(COc2ccc(F)c(C(F)(F)F)c2)o1 ZINC000190524798 200551871 /nfs/dbraw/zinc/55/18/71/200551871.db2.gz PNAYEWXYECYCBC-UHFFFAOYSA-N 0 0 304.243 3.930 50 0 DHAARN CCCCc1nc(Cl)c(CN(C)Cc2c(C)noc2C)[nH]1 ZINC000191067210 200623969 /nfs/dbraw/zinc/62/39/69/200623969.db2.gz PXXQQJSLRHLCGW-UHFFFAOYSA-N 0 0 310.829 3.643 50 0 DHAARN c1ccc(OCCSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000006061707 181309959 /nfs/dbraw/zinc/30/99/59/181309959.db2.gz TZADUDRCEFHXRA-UHFFFAOYSA-N 0 0 322.393 3.677 50 0 DHAARN CC1CCC(NC(=O)CSc2nc3ccccc3o2)CC1 ZINC000006060969 181309222 /nfs/dbraw/zinc/30/92/22/181309222.db2.gz DRODYLOINBDWCJ-UHFFFAOYSA-N 0 0 304.415 3.615 50 0 DHAARN COCCNc1ccccc1NC(=O)c1nccc2ccccc21 ZINC000191231248 200649009 /nfs/dbraw/zinc/64/90/09/200649009.db2.gz HJPIHTBOBAIROI-UHFFFAOYSA-N 0 0 321.380 3.545 50 0 DHAARN Cc1nc2ccccc2c(NC(=O)c2cnccn2)c1C(C)C ZINC000191320949 200671313 /nfs/dbraw/zinc/67/13/13/200671313.db2.gz PGOAHBXXILZONO-UHFFFAOYSA-N 0 0 306.369 3.709 50 0 DHAARN Cc1noc(C)c1COC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000006084143 181311120 /nfs/dbraw/zinc/31/11/20/181311120.db2.gz FYRHQWZSRFCTLE-SECBINFHSA-N 0 0 305.399 3.835 50 0 DHAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2[nH]1 ZINC000006083014 181311150 /nfs/dbraw/zinc/31/11/50/181311150.db2.gz OOHBJJNYKJCSTH-UHFFFAOYSA-N 0 0 319.286 3.763 50 0 DHAARN O=C1CCCC[C@H]1Sc1nnc(NC2CCCCC2)s1 ZINC000006077137 181310543 /nfs/dbraw/zinc/31/05/43/181310543.db2.gz HWOJDHYJOWPGRY-GFCCVEGCSA-N 0 0 311.476 3.887 50 0 DHAARN C[C@H](Sc1nnc2ccccn21)C(=O)c1ccc2c(c1)CCC2 ZINC000006114794 181313182 /nfs/dbraw/zinc/31/31/82/181313182.db2.gz XVJJJPZHNASPSI-LBPRGKRZSA-N 0 0 323.421 3.582 50 0 DHAARN CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](CC)C2 ZINC000006122276 181314616 /nfs/dbraw/zinc/31/46/16/181314616.db2.gz DPVQPASCOHKAPY-JTQLQIEISA-N 0 0 322.474 3.737 50 0 DHAARN CSc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000006127507 181315034 /nfs/dbraw/zinc/31/50/34/181315034.db2.gz YEZKNQNBOYADPK-CYBMUJFWSA-N 0 0 301.411 3.665 50 0 DHAARN CC(=O)N(C)CCCCc1cnc(C)c2[nH]c3ccccc3c21 ZINC000006130211 181315447 /nfs/dbraw/zinc/31/54/47/181315447.db2.gz BCCCBOFRSPINSB-UHFFFAOYSA-N 0 0 309.413 3.826 50 0 biogenic DHAARN COC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000006153790 181316541 /nfs/dbraw/zinc/31/65/41/181316541.db2.gz FCUHGVYTVWNRON-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN CN(C)c1ccc2c3c1cccc3C(=O)N(C1CCCCC1)C2=O ZINC000006178002 181317969 /nfs/dbraw/zinc/31/79/69/181317969.db2.gz OQQVIROPPDGNLP-UHFFFAOYSA-N 0 0 322.408 3.835 50 0 DHAARN COC(=O)CSc1nc2ccccc2n1-c1cccc(C)c1 ZINC000006161017 181317196 /nfs/dbraw/zinc/31/71/96/181317196.db2.gz RGIPRGKFMQGWNR-UHFFFAOYSA-N 0 0 312.394 3.599 50 0 DHAARN COc1ccc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1 ZINC000006186237 181318607 /nfs/dbraw/zinc/31/86/07/181318607.db2.gz DLWCKRQNGRGWIY-UHFFFAOYSA-N 0 0 307.353 3.508 50 0 DHAARN O=C(/C=C/c1ccccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000006226781 181321022 /nfs/dbraw/zinc/32/10/22/181321022.db2.gz LJANJGCDCZIOID-NCQICXCDSA-N 0 0 319.832 3.507 50 0 DHAARN COc1ccc(NC(=O)c2ccc(F)cc2Cl)c(OC)c1 ZINC000006288973 181326313 /nfs/dbraw/zinc/32/63/13/181326313.db2.gz YPZAGHAZAGUYCU-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN Cc1c(C(=O)NCC(C)C)sc2nc(-c3ccccc3)cn12 ZINC000006309230 181328567 /nfs/dbraw/zinc/32/85/67/181328567.db2.gz CZJIZSQYDDPSDO-UHFFFAOYSA-N 0 0 313.426 3.757 50 0 DHAARN CC[C@@H](C)Sc1ccc(NC(=O)N[C@H]2CCOC2)c(C)c1 ZINC000089942336 192916013 /nfs/dbraw/zinc/91/60/13/192916013.db2.gz JWRSQZPRBAKZEO-OLZOCXBDSA-N 0 0 308.447 3.796 50 0 DHAARN Cc1ccccc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000006318746 181329872 /nfs/dbraw/zinc/32/98/72/181329872.db2.gz KBAFTQRRZBXRES-UHFFFAOYSA-N 0 0 301.214 3.943 50 0 DHAARN Cc1ccc(CC(=O)N(Cc2ccsc2)c2cccnc2)cn1 ZINC000193506043 201065839 /nfs/dbraw/zinc/06/58/39/201065839.db2.gz AEBXZKRVKRNOJQ-UHFFFAOYSA-N 0 0 323.421 3.622 50 0 DHAARN O=C(Cc1csc(-c2ccccc2)n1)NC1CCCCC1 ZINC000006337511 181331470 /nfs/dbraw/zinc/33/14/70/181331470.db2.gz JMVQBUQSQILGRB-UHFFFAOYSA-N 0 0 300.427 3.802 50 0 DHAARN Cc1cnc(C(=O)OCc2ccc(-c3ccccc3)cc2)cn1 ZINC000006350495 181333065 /nfs/dbraw/zinc/33/30/65/181333065.db2.gz UYNMDEHCNPZJET-UHFFFAOYSA-N 0 0 304.349 3.809 50 0 DHAARN Cc1ccc(C(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000006426572 181340852 /nfs/dbraw/zinc/34/08/52/181340852.db2.gz UVIKGWNOYPUGKU-UHFFFAOYSA-N 0 0 315.800 3.928 50 0 DHAARN Cc1cc(NC(=O)c2snnc2C(C)(C)C)c(C)c(C)c1O ZINC000194509897 201239953 /nfs/dbraw/zinc/23/99/53/201239953.db2.gz CWVGJALKHCCMIA-UHFFFAOYSA-N 0 0 319.430 3.719 50 0 DHAARN Cc1ccsc1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccccc3)c21 ZINC000006444611 181341641 /nfs/dbraw/zinc/34/16/41/181341641.db2.gz UFQBFPDOAJPZJP-GFCCVEGCSA-N 0 0 309.394 3.921 50 0 DHAARN COc1cc(NC(=O)c2cc(C(C)=O)cs2)ccc1Cl ZINC000194894608 201307131 /nfs/dbraw/zinc/30/71/31/201307131.db2.gz DBBOIXSOJLTXDZ-UHFFFAOYSA-N 0 0 309.774 3.865 50 0 DHAARN CN(C(=O)CCSCc1ccccc1)C1CCSCC1 ZINC000244852954 202502337 /nfs/dbraw/zinc/50/23/37/202502337.db2.gz VCPGUTSZYCPUPW-UHFFFAOYSA-N 0 0 309.500 3.664 50 0 DHAARN CC(C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000006493116 181346010 /nfs/dbraw/zinc/34/60/10/181346010.db2.gz IPYAKPJDRQTMHQ-UHFFFAOYSA-N 0 0 320.805 3.675 50 0 DHAARN O=C(Cc1ccccc1F)Nc1nc(-c2cccnc2)cs1 ZINC000006508223 181347102 /nfs/dbraw/zinc/34/71/02/181347102.db2.gz JICNPBKPOBRLLG-UHFFFAOYSA-N 0 0 313.357 3.525 50 0 DHAARN Cc1csc(NC(=O)c2ccc(COc3ccccc3)o2)n1 ZINC000006509746 181347899 /nfs/dbraw/zinc/34/78/99/181347899.db2.gz DLCCNAAUZWNBBD-UHFFFAOYSA-N 0 0 314.366 3.876 50 0 DHAARN Cc1cccc(-n2ncc3c2ncnc3NC2CCCCC2)c1 ZINC000006528269 181349664 /nfs/dbraw/zinc/34/96/64/181349664.db2.gz LVCYPOWUAJICJV-UHFFFAOYSA-N 0 0 307.401 3.869 50 0 DHAARN CCSc1nc2sc3c(c2c(=O)n1CC)CC[C@H](C)C3 ZINC000006549337 181353334 /nfs/dbraw/zinc/35/33/34/181353334.db2.gz DTXODUYEFGIUMT-VIFPVBQESA-N 0 0 308.472 3.715 50 0 DHAARN COc1ccc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000006586967 181358167 /nfs/dbraw/zinc/35/81/67/181358167.db2.gz KHOFEGFUVSUGRY-NSHDSACASA-N 0 0 312.394 3.785 50 0 DHAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1CCc1ccccn1 ZINC000006590339 181358497 /nfs/dbraw/zinc/35/84/97/181358497.db2.gz RPWNEXRTCFTJPF-INIZCTEOSA-N 0 0 318.829 3.552 50 0 DHAARN CCOc1ccccc1NC(=O)c1cc2ccccc2oc1=N ZINC000006657288 181365902 /nfs/dbraw/zinc/36/59/02/181365902.db2.gz BAAPQPKXWMQAQX-UHFFFAOYSA-N 0 0 308.337 3.563 50 0 DHAARN CCCn1c2ccccc2nc1NC(=O)c1cc(F)cc(F)c1 ZINC000006649190 181365235 /nfs/dbraw/zinc/36/52/35/181365235.db2.gz UQOCNWZMPBZMMF-UHFFFAOYSA-N 0 0 315.323 3.977 50 0 DHAARN O=c1cc(CSc2ccc3c(c2)CCC3)nc2sccn21 ZINC000006648976 181365448 /nfs/dbraw/zinc/36/54/48/181365448.db2.gz BKTRIJXLLANCKQ-UHFFFAOYSA-N 0 0 314.435 3.537 50 0 DHAARN C[C@@H](c1ccccc1)N(C(=O)N(C)C)[C@H]1CCOC(C)(C)C1 ZINC000006662148 181367644 /nfs/dbraw/zinc/36/76/44/181367644.db2.gz AKINERRJXZFIDE-HOCLYGCPSA-N 0 0 304.434 3.689 50 0 DHAARN COc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1OC ZINC000006686554 181371084 /nfs/dbraw/zinc/37/10/84/181371084.db2.gz ADJAJCJNAXLLLS-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN CS[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000206690487 201429033 /nfs/dbraw/zinc/42/90/33/201429033.db2.gz QJYOBKJVNBMVPA-NSHDSACASA-N 0 0 304.337 3.675 50 0 DHAARN COC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1C ZINC000006701611 181373716 /nfs/dbraw/zinc/37/37/16/181373716.db2.gz PPNMIRDZAGLQCD-UHFFFAOYSA-N 0 0 309.321 3.780 50 0 DHAARN O=C(Cc1cccnc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206874987 201432747 /nfs/dbraw/zinc/43/27/47/201432747.db2.gz BCKAYCCHTGUDEN-QGZVFWFLSA-N 0 0 312.388 3.560 50 0 DHAARN CCOc1ccc2ccccc2c1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000006731326 181378950 /nfs/dbraw/zinc/37/89/50/181378950.db2.gz KNQKZKNFAMFPCX-XJKSGUPXSA-N 0 0 313.397 3.536 50 0 DHAARN CCc1nonc1NC(=O)c1oc2ccc(Cl)cc2c1C ZINC000006743418 181381237 /nfs/dbraw/zinc/38/12/37/181381237.db2.gz XTPVFTAVLVXABF-UHFFFAOYSA-N 0 0 305.721 3.592 50 0 DHAARN CC(C)CNc1ncnc2c1cnn2Cc1ccccc1Cl ZINC000006760128 181384492 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CN(C1CCCC1)S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032759390 182659978 /nfs/dbraw/zinc/65/99/78/182659978.db2.gz WXAIQPWWGUIEKT-UHFFFAOYSA-N 0 0 315.438 3.917 50 0 DHAARN CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C)c(C)s2)c1 ZINC000032754268 182660319 /nfs/dbraw/zinc/66/03/19/182660319.db2.gz BCQUKSZIZOFKRX-UHFFFAOYSA-N 0 0 306.362 3.715 50 0 DHAARN CC(C)Cc1ccc([C@@H](NC(=O)c2cnn(C)c2)C(C)C)cc1 ZINC000032769106 182661562 /nfs/dbraw/zinc/66/15/62/182661562.db2.gz VLQHGSAIPXIPEK-SFHVURJKSA-N 0 0 313.445 3.746 50 0 DHAARN CCOc1ccc2oc(C(=O)NCCc3ccccn3)c(C)c2c1 ZINC000032657018 182653719 /nfs/dbraw/zinc/65/37/19/182653719.db2.gz VEHCHHYIOVCLBQ-UHFFFAOYSA-N 0 0 324.380 3.507 50 0 DHAARN Cc1cc(NC(=O)c2ccoc2)c(C)cc1NC(=O)c1ccoc1 ZINC000032841361 182670653 /nfs/dbraw/zinc/67/06/53/182670653.db2.gz DOYFIKRVLZLQPD-UHFFFAOYSA-N 0 0 324.336 3.994 50 0 DHAARN Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)no1 ZINC000032854808 182671703 /nfs/dbraw/zinc/67/17/03/182671703.db2.gz HWUVBMRTXMDYMF-UHFFFAOYSA-N 0 0 314.341 3.667 50 0 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3.559 50 0 DHAARN CCC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000035280991 182766378 /nfs/dbraw/zinc/76/63/78/182766378.db2.gz CZVFPPWJMAUHNM-GFCCVEGCSA-N 0 0 319.792 3.506 50 0 DHAARN CCc1cccc(NC(=O)CN2c3ccccc3C(C)(C)C2=O)c1 ZINC000035398854 182773928 /nfs/dbraw/zinc/77/39/28/182773928.db2.gz UPGZHTKXNUPZEJ-UHFFFAOYSA-N 0 0 322.408 3.512 50 0 DHAARN CC[C@H](C)Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn21 ZINC000035477180 182776892 /nfs/dbraw/zinc/77/68/92/182776892.db2.gz QPHQDLMEJSUJIQ-LBPRGKRZSA-N 0 0 310.405 3.520 50 0 DHAARN C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000035655096 182784117 /nfs/dbraw/zinc/78/41/17/182784117.db2.gz UOUSFOZEGXXNBT-WWGRRREGSA-N 0 0 321.392 3.912 50 0 DHAARN Cc1cccc(CO[C@@H]2CCCN(C(=O)CC(C)(C)C)C2)c1 ZINC000036314796 182815335 /nfs/dbraw/zinc/81/53/35/182815335.db2.gz ZEZDRGLLHNDNFS-QGZVFWFLSA-N 0 0 303.446 3.939 50 0 DHAARN Cc1noc2nc(C(C)C)cc(C(=O)NC3CCCCC3)c12 ZINC000036360507 182819183 /nfs/dbraw/zinc/81/91/83/182819183.db2.gz KTDHWZBGZQOQMQ-UHFFFAOYSA-N 0 0 301.390 3.717 50 0 DHAARN CN(C)[C@@H](CNC(=O)NC1CCCCC1)c1ccccc1Cl ZINC000036090871 182797127 /nfs/dbraw/zinc/79/71/27/182797127.db2.gz WLJAKNKPDYRDAL-INIZCTEOSA-N 0 0 323.868 3.575 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)nn1C(C)(C)C ZINC000036391644 182823101 /nfs/dbraw/zinc/82/31/01/182823101.db2.gz UTYDTAZNCWHXAS-LLVKDONJSA-N 0 0 321.371 3.716 50 0 DHAARN C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 ZINC000036392628 182824108 /nfs/dbraw/zinc/82/41/08/182824108.db2.gz QPLLSSNCJQAQQC-MRXNPFEDSA-N 0 0 304.393 3.897 50 0 DHAARN O=C(NC1CCCCC1)c1ccc(F)c(Br)c1 ZINC000038537084 183001738 /nfs/dbraw/zinc/00/17/38/183001738.db2.gz MMIVSOVGVFUMDU-UHFFFAOYSA-N 0 0 300.171 3.651 50 0 DHAARN O=C(CCCc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2 ZINC000038714962 183007271 /nfs/dbraw/zinc/00/72/71/183007271.db2.gz AIUIUFUTNNMQQI-UHFFFAOYSA-N 0 0 308.381 3.533 50 0 DHAARN CCc1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000038833679 183011367 /nfs/dbraw/zinc/01/13/67/183011367.db2.gz IGUZPTZGMLDQCP-UHFFFAOYSA-N 0 0 305.381 3.746 50 0 DHAARN CN(C)C(=O)[C@@H](Nc1cccc2c1CCCC2)c1ccccc1 ZINC000039982329 183026671 /nfs/dbraw/zinc/02/66/71/183026671.db2.gz RKILEGWDLZLYJV-IBGZPJMESA-N 0 0 308.425 3.807 50 0 DHAARN Cc1ccc(CN(C)C(=O)[C@@H]2COc3ccccc3C2)c(C)c1 ZINC000039998432 183027368 /nfs/dbraw/zinc/02/73/68/183027368.db2.gz QMRNCIPAMZPZSJ-SFHVURJKSA-N 0 0 309.409 3.513 50 0 DHAARN Cc1cc(C)c(NC(=O)NCCCOCC2CC2)c(Cl)c1 ZINC000040024013 183028209 /nfs/dbraw/zinc/02/82/09/183028209.db2.gz LIUNDYMBORTCMH-UHFFFAOYSA-N 0 0 310.825 3.895 50 0 DHAARN O=C(NCCCOCc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000040030661 183028928 /nfs/dbraw/zinc/02/89/28/183028928.db2.gz BKQCLHMXIBVNSA-UHFFFAOYSA-N 0 0 317.429 3.519 50 0 DHAARN Cc1sc(-c2ccco2)nc1-c1ccc2c(c1)NC(=O)CO2 ZINC000040040699 183029321 /nfs/dbraw/zinc/02/93/21/183029321.db2.gz AHQBJOBBVYKLNX-UHFFFAOYSA-N 0 0 312.350 3.709 50 0 DHAARN C/C=C/C=C/C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000040049349 183030133 /nfs/dbraw/zinc/03/01/33/183030133.db2.gz LWYYGAKBXGXLOZ-MHCRVGIVSA-N 0 0 320.392 3.687 50 0 DHAARN O=C(Nc1ccc(Br)cn1)OCc1ccccc1 ZINC000039047175 183014086 /nfs/dbraw/zinc/01/40/86/183014086.db2.gz XAHHPDSPSWOXMS-UHFFFAOYSA-N 0 0 307.147 3.593 50 0 DHAARN CC1=CC[C@](C[C@@H]2CCCO2)(S(=O)(=O)c2ccccc2)CC1 ZINC000039247187 183015525 /nfs/dbraw/zinc/01/55/25/183015525.db2.gz YYRWTVNJWGKNPB-WMZOPIPTSA-N 0 0 320.454 3.898 50 0 DHAARN O=C(c1ccc(Cl)cc1)N1C=CN=C(C(F)(F)F)CC1 ZINC000039323614 183016558 /nfs/dbraw/zinc/01/65/58/183016558.db2.gz QHWSIUFPJLAXHD-UHFFFAOYSA-N 0 0 302.683 3.660 50 0 DHAARN Cc1c(C(=O)N[C@@H](C)c2ccco2)sc2nc(C)nc(C)c12 ZINC000039549315 183020072 /nfs/dbraw/zinc/02/00/72/183020072.db2.gz IYYJQTFSKADHKU-VIFPVBQESA-N 0 0 315.398 3.701 50 0 DHAARN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000040069998 183031060 /nfs/dbraw/zinc/03/10/60/183031060.db2.gz SOCQHZVPVRJVCI-GBIKHYSHSA-N 0 0 314.351 3.963 50 0 DHAARN O=C1CCCCCN1CCCNc1nc2ccccc2s1 ZINC000039976582 183025990 /nfs/dbraw/zinc/02/59/90/183025990.db2.gz OHMFJKXMQLUNNQ-UHFFFAOYSA-N 0 0 303.431 3.501 50 0 DHAARN CCC[C@H](NC(=O)CSCc1ccncc1)c1ccccc1 ZINC000040152586 183040018 /nfs/dbraw/zinc/04/00/18/183040018.db2.gz JBXWWJOMHDSXTB-KRWDZBQOSA-N 0 0 314.454 3.972 50 0 DHAARN COc1ccccc1NC(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000040150000 183040259 /nfs/dbraw/zinc/04/02/59/183040259.db2.gz ASONSTZFKYORPI-UHFFFAOYSA-N 0 0 322.368 3.584 50 0 DHAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@H](C)O)c1 ZINC000040224858 183046991 /nfs/dbraw/zinc/04/69/91/183046991.db2.gz MEDLDUJXJMJXRX-HNNXBMFYSA-N 0 0 310.397 3.785 50 0 DHAARN O=C(CC[C@@H]1CCCO1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000040073864 183031508 /nfs/dbraw/zinc/03/15/08/183031508.db2.gz XAOUCXIFVSGSGV-ZDUSSCGKSA-N 0 0 320.389 3.847 50 0 DHAARN O=C(Nc1cc(Cl)ccc1F)[C@H]1CC(c2ccccc2)=NO1 ZINC000040090209 183033411 /nfs/dbraw/zinc/03/34/11/183033411.db2.gz SXWKCOCLSNSLEK-OAHLLOKOSA-N 0 0 318.735 3.611 50 0 DHAARN Cc1ccc(C)c(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)c1 ZINC000040094982 183033741 /nfs/dbraw/zinc/03/37/41/183033741.db2.gz UUSNHKVDMNCTMU-MRXNPFEDSA-N 0 0 318.804 3.812 50 0 DHAARN CCOc1ncccc1CNC(=O)Nc1cccc(Cl)c1C ZINC000040096512 183034221 /nfs/dbraw/zinc/03/42/21/183034221.db2.gz YNMUZAHHIJWJFD-UHFFFAOYSA-N 0 0 319.792 3.764 50 0 DHAARN COc1cc(Cl)c(C)cc1NC(=O)NCCCOC(C)C ZINC000040099171 183034745 /nfs/dbraw/zinc/03/47/45/183034745.db2.gz FBRWMBWCTXULEU-UHFFFAOYSA-N 0 0 314.813 3.594 50 0 DHAARN Cc1ncsc1C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000040107458 183036628 /nfs/dbraw/zinc/03/66/28/183036628.db2.gz UKGORCVFUDSUIF-HZMBPMFUSA-N 0 0 316.426 3.973 50 0 DHAARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CCCC1 ZINC000040108476 183037026 /nfs/dbraw/zinc/03/70/26/183037026.db2.gz GUIBWHVFUUWALD-NSHDSACASA-N 0 0 310.235 3.687 50 0 DHAARN O=C(C[C@@H]1CCCO1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000040108828 183037201 /nfs/dbraw/zinc/03/72/01/183037201.db2.gz ZUNVXFBTAWXAJD-PKOBYXMFSA-N 0 0 301.430 3.993 50 0 DHAARN Cc1cc(N(C)C)ccc1NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000040111617 183037208 /nfs/dbraw/zinc/03/72/08/183037208.db2.gz NQFZDWZGXJJOKY-UHFFFAOYSA-N 0 0 311.360 3.934 50 0 DHAARN O=C(NCCc1ccccc1F)Nc1cccc(OC(F)F)c1 ZINC000040120507 183037701 /nfs/dbraw/zinc/03/77/01/183037701.db2.gz UCAQMMVUEZOXAQ-UHFFFAOYSA-N 0 0 324.302 3.791 50 0 DHAARN CCOc1ccccc1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000040119361 183037794 /nfs/dbraw/zinc/03/77/94/183037794.db2.gz ODBSYQLTEUETJT-UHFFFAOYSA-N 0 0 307.353 3.523 50 0 DHAARN CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000040121127 183037910 /nfs/dbraw/zinc/03/79/10/183037910.db2.gz UAFXLLPSENRFJC-CYBMUJFWSA-N 0 0 317.414 3.911 50 0 DHAARN O=C(c1cnc2ccccc2n1)N1CCCCc2ccccc21 ZINC000040133910 183038335 /nfs/dbraw/zinc/03/83/35/183038335.db2.gz RQOBYTGGJARWRS-UHFFFAOYSA-N 0 0 303.365 3.613 50 0 DHAARN CC(C)c1nnc(NC(=O)/C=C/c2c(F)cccc2F)s1 ZINC000040131859 183038570 /nfs/dbraw/zinc/03/85/70/183038570.db2.gz MSONNZXYIPJBQO-VOTSOKGWSA-N 0 0 309.341 3.592 50 0 DHAARN C[C@H](Oc1ccc(C(=O)Nc2ccncc2)cn1)c1ccccc1 ZINC000040144782 183039059 /nfs/dbraw/zinc/03/90/59/183039059.db2.gz SEEPTKLTAPMYFH-AWEZNQCLSA-N 0 0 319.364 3.869 50 0 DHAARN CC(C)c1nnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000040141592 183039082 /nfs/dbraw/zinc/03/90/82/183039082.db2.gz QOCSLRVETGCXKW-BDAKNGLRSA-N 0 0 321.368 3.969 50 0 DHAARN C[C@@H](NC(=O)COCc1ccccc1Cl)c1ccccc1F ZINC000040141146 183039099 /nfs/dbraw/zinc/03/90/99/183039099.db2.gz ZBMSKRBDYVANFR-GFCCVEGCSA-N 0 0 321.779 3.873 50 0 DHAARN O=C(COC1CCCCC1)NCc1ccc(Cl)cc1Cl ZINC000040140244 183039290 /nfs/dbraw/zinc/03/92/90/183039290.db2.gz MPEKGDYVXNRZLC-UHFFFAOYSA-N 0 0 316.228 3.959 50 0 DHAARN COc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1C ZINC000040146380 183039950 /nfs/dbraw/zinc/03/99/50/183039950.db2.gz YTHJZBGFBUTZRU-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN Fc1cc(Cl)ccc1-c1nnc2sc(C3CCC3)nn21 ZINC000040287289 183051122 /nfs/dbraw/zinc/05/11/22/183051122.db2.gz CJTHTNFFRCSGCU-UHFFFAOYSA-N 0 0 308.769 3.913 50 0 DHAARN Fc1cccc(Cl)c1-c1nn2c(nnc2-c2ccco2)s1 ZINC000040288603 183052203 /nfs/dbraw/zinc/05/22/03/183052203.db2.gz IBLAZBLEKHJNGS-UHFFFAOYSA-N 0 0 320.736 3.905 50 0 DHAARN Cc1ccc(OCCn2c(CO)nc3cc(C)c(C)cc32)cc1 ZINC000040308968 183053532 /nfs/dbraw/zinc/05/35/32/183053532.db2.gz LBJTXMPTAHTILO-UHFFFAOYSA-N 0 0 310.397 3.533 50 0 DHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCCC2)c1 ZINC000040473012 183074220 /nfs/dbraw/zinc/07/42/20/183074220.db2.gz KINLUBRKLJSCTD-MRXNPFEDSA-N 0 0 303.402 3.558 50 0 DHAARN CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000040485604 183077554 /nfs/dbraw/zinc/07/75/54/183077554.db2.gz NVUSPBZJFFOGEB-LJQANCHMSA-N 0 0 323.392 3.632 50 0 DHAARN CCc1cc(=O)n2c3ccccc3n(Cc3cccc(C)c3)c2n1 ZINC000040485128 183077631 /nfs/dbraw/zinc/07/76/31/183077631.db2.gz PCSMQMRGVQDUOB-UHFFFAOYSA-N 0 0 317.392 3.568 50 0 DHAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCc2sccc2C1 ZINC000040485202 183077925 /nfs/dbraw/zinc/07/79/25/183077925.db2.gz NBKULRTYCALXHN-SNVBAGLBSA-N 0 0 317.439 3.979 50 0 DHAARN CCN(C(=O)c1nc(SC)ncc1Cl)c1ccccc1 ZINC000040510495 183086903 /nfs/dbraw/zinc/08/69/03/183086903.db2.gz ZAMUZBNDEWXLPX-UHFFFAOYSA-N 0 0 307.806 3.519 50 0 DHAARN Cc1cc(C)cc(NC(=O)CCCc2nc(C(C)C)no2)c1 ZINC000040515682 183088893 /nfs/dbraw/zinc/08/88/93/183088893.db2.gz ZITSUQNINCQONT-UHFFFAOYSA-N 0 0 301.390 3.771 50 0 DHAARN CC(=O)Nc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 ZINC000040525475 183092211 /nfs/dbraw/zinc/09/22/11/183092211.db2.gz VKNAVQNXNJPKCQ-UHFFFAOYSA-N 0 0 317.776 3.620 50 0 DHAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1c(C)noc1C ZINC000040553178 183100370 /nfs/dbraw/zinc/10/03/70/183100370.db2.gz NIXDTKIGMRMZAW-OAHLLOKOSA-N 0 0 316.401 3.565 50 0 DHAARN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl ZINC000041091867 183164778 /nfs/dbraw/zinc/16/47/78/183164778.db2.gz CJHRRQYVKVTQSC-QMTHXVAHSA-N 0 0 301.839 3.505 50 0 DHAARN Cc1ccccc1CC(=O)Nc1ccc(Br)c(C)n1 ZINC000041107583 183165828 /nfs/dbraw/zinc/16/58/28/183165828.db2.gz CZISGWMUGJGGQH-UHFFFAOYSA-N 0 0 319.202 3.642 50 0 DHAARN CCCc1noc(C2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC000041121858 183167565 /nfs/dbraw/zinc/16/75/65/183167565.db2.gz VFVAPJPGMRHUFO-UHFFFAOYSA-N 0 0 319.449 3.699 50 0 DHAARN CC[C@@H](C)c1noc([C@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000041123391 183168389 /nfs/dbraw/zinc/16/83/89/183168389.db2.gz OZEMYEUYJLZZHN-TZMCWYRMSA-N 0 0 305.422 3.827 50 0 DHAARN CC(C)c1noc([C@@H]2CCCCN2C(=O)Cc2cccs2)n1 ZINC000041124179 183168946 /nfs/dbraw/zinc/16/89/46/183168946.db2.gz KVUVCIMXTQNRAU-ZDUSSCGKSA-N 0 0 319.430 3.551 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(F)c(Cl)c1 ZINC000041450233 183192063 /nfs/dbraw/zinc/19/20/63/183192063.db2.gz BRZSAXSWEMDBRJ-UHFFFAOYSA-N 0 0 308.696 3.852 50 0 DHAARN CC(=O)Nc1ccc(NC(=S)N2CCCCCCC2)cc1 ZINC000041724870 183218232 /nfs/dbraw/zinc/21/82/32/183218232.db2.gz VKETXRWBWYHOEU-UHFFFAOYSA-N 0 0 305.447 3.608 50 0 DHAARN Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)on1 ZINC000041893735 183224683 /nfs/dbraw/zinc/22/46/83/183224683.db2.gz KIURYTYOCAKGRX-IINYFYTJSA-N 0 0 300.358 3.504 50 0 DHAARN Cc1c(C(=O)Nc2cnc3ccccc3c2)oc2c1C(=O)CCC2 ZINC000041615415 183210481 /nfs/dbraw/zinc/21/04/81/183210481.db2.gz MSPXVWBTULRSSG-UHFFFAOYSA-N 0 0 320.348 3.908 50 0 DHAARN O=C(NCc1cccc(Br)c1)c1ccc(F)cc1 ZINC000042238958 183245811 /nfs/dbraw/zinc/24/58/11/183245811.db2.gz RBDYEQFVCFJOJQ-UHFFFAOYSA-N 0 0 308.150 3.518 50 0 DHAARN OC[C@@H](CNc1nc2ccccc2s1)Cc1ccc(F)cc1 ZINC000042103456 183232654 /nfs/dbraw/zinc/23/26/54/183232654.db2.gz KTPOXBBLDIYHNH-CYBMUJFWSA-N 0 0 316.401 3.699 50 0 DHAARN CCc1c(C)sc2ncn([C@H](C)Cc3cccnc3)c(=O)c12 ZINC000042496564 183277084 /nfs/dbraw/zinc/27/70/84/183277084.db2.gz HZQIRUXJORZROR-LLVKDONJSA-N 0 0 313.426 3.528 50 0 DHAARN Cc1ccc(CN(C)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)o1 ZINC000042765144 183306229 /nfs/dbraw/zinc/30/62/29/183306229.db2.gz JFBVVNGUMANWTD-UHFFFAOYSA-N 0 0 315.417 3.689 50 0 DHAARN Cc1noc(C)c1C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 ZINC000042700210 183297852 /nfs/dbraw/zinc/29/78/52/183297852.db2.gz FMSJNUSKJMWTTE-GOSISDBHSA-N 0 0 321.380 3.548 50 0 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DHAARN Cc1csc2nc(CNc3ccc(C)c(Cl)c3)cc(=O)n12 ZINC000043304509 183353350 /nfs/dbraw/zinc/35/33/50/183353350.db2.gz QWLVRQSBLSGQLO-UHFFFAOYSA-N 0 0 319.817 3.638 50 0 DHAARN CCOC(=O)Nc1ccc(NC(=O)c2ccnc(Cl)c2)cc1 ZINC000044606850 183427045 /nfs/dbraw/zinc/42/70/45/183427045.db2.gz WGWWQLTZWIGPKH-UHFFFAOYSA-N 0 0 319.748 3.556 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)c1 ZINC000046010342 183542698 /nfs/dbraw/zinc/54/26/98/183542698.db2.gz MBEVKTAKIYPKQQ-UHFFFAOYSA-N 0 0 310.353 3.736 50 0 DHAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(Cl)c[nH]1 ZINC000046392765 183560655 /nfs/dbraw/zinc/56/06/55/183560655.db2.gz KKXAXCIKUCMWLB-UHFFFAOYSA-N 0 0 301.733 3.939 50 0 DHAARN CC[C@@H](C)Nc1onc(-c2cccc(Cl)c2)c1C(=O)OC ZINC000046914578 183572792 /nfs/dbraw/zinc/57/27/92/183572792.db2.gz WSAFDAYNXGKCTH-SECBINFHSA-N 0 0 308.765 3.992 50 0 DHAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)C ZINC000047477535 183592393 /nfs/dbraw/zinc/59/23/93/183592393.db2.gz AHJJZXPGYQLASY-UHFFFAOYSA-N 0 0 322.817 3.664 50 0 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563904536 /nfs/dbraw/zinc/90/45/36/563904536.db2.gz BIUOFYISKNTURG-JTQLQIEISA-N 0 0 313.781 3.519 50 0 DHAARN O=S(=O)(NCc1ccsc1)c1cc(Cl)ccc1Cl ZINC000013724832 563909945 /nfs/dbraw/zinc/90/99/45/563909945.db2.gz RNYNOPURJVLOQQ-UHFFFAOYSA-N 0 0 322.238 3.533 50 0 DHAARN CCO[C@H](C)c1nc(CN(C)[C@@H]2CC[C@H](SC)C2)cs1 ZINC000075918866 563910998 /nfs/dbraw/zinc/91/09/98/563910998.db2.gz ONHFDBMGEAIMQJ-BNOWGMLFSA-N 0 0 314.520 3.957 50 0 DHAARN CC[C@@H](NC(=O)N(C)Cc1ccsc1)c1cc(C)ccn1 ZINC000584885687 563925389 /nfs/dbraw/zinc/92/53/89/563925389.db2.gz KMEIFOSEKIWOBZ-CQSZACIVSA-N 0 0 303.431 3.744 50 0 DHAARN CCc1ccc([C@@H](C)N[C@H]2CCCn3nc(CC)nc32)s1 ZINC000095969212 563933419 /nfs/dbraw/zinc/93/34/19/563933419.db2.gz NNYNWSWCPRHXCT-YPMHNXCESA-N 0 0 304.463 3.650 50 0 DHAARN O=C(CSc1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000002620070 563939514 /nfs/dbraw/zinc/93/95/14/563939514.db2.gz FQHLPCAXOCWWBX-UHFFFAOYSA-N 0 0 309.793 3.888 50 0 DHAARN CC[C@@H](C(=O)[O-])[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000263577668 563948120 /nfs/dbraw/zinc/94/81/20/563948120.db2.gz RRWIKIRPVGHITF-AWEZNQCLSA-N 0 0 315.335 3.748 50 0 DHAARN COc1ccc(CSc2nnc(NC(C)C)s2)cc1F ZINC000009313485 563955020 /nfs/dbraw/zinc/95/50/20/563955020.db2.gz KWSJCNZPFCVGHN-UHFFFAOYSA-N 0 0 313.423 3.798 50 0 DHAARN CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1OC ZINC000000303863 563238014 /nfs/dbraw/zinc/23/80/14/563238014.db2.gz ASTJNJPSQCMFRM-UHFFFAOYSA-N 0 0 305.761 4.000 50 0 DHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)s1 ZINC000000470316 563260772 /nfs/dbraw/zinc/26/07/72/563260772.db2.gz LTGDANNASYXQTL-SECBINFHSA-N 0 0 313.831 3.541 50 0 DHAARN CCCCN(CCCC)C(=O)c1cc2ccccc2c(=O)o1 ZINC000002083735 563299626 /nfs/dbraw/zinc/29/96/26/563299626.db2.gz YVWFBAPLEXYSFN-UHFFFAOYSA-N 0 0 301.386 3.835 50 0 DHAARN CCc1cc(Br)ccc1NC(=O)c1cc(C)on1 ZINC000002795263 563313950 /nfs/dbraw/zinc/31/39/50/563313950.db2.gz ZPHWQIOIUSETHX-UHFFFAOYSA-N 0 0 309.163 3.560 50 0 DHAARN COc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013519322 563382703 /nfs/dbraw/zinc/38/27/03/563382703.db2.gz PJDUFKAOMSSNDM-UHFFFAOYSA-N 0 0 324.808 3.974 50 0 DHAARN CCc1c(C)nc2nc(C)nn2c1Nc1ccc(Cl)cc1 ZINC000012413168 563369333 /nfs/dbraw/zinc/36/93/33/563369333.db2.gz POJORPKSMRCNLS-UHFFFAOYSA-N 0 0 301.781 3.701 50 0 DHAARN CCCc1nnc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)s1 ZINC000027794641 563429833 /nfs/dbraw/zinc/42/98/33/563429833.db2.gz CYYZOHQAXKTHEN-LBPRGKRZSA-N 0 0 319.430 3.513 50 0 DHAARN Clc1ccccc1C1(c2nnc(C3CC3)o2)CCOCC1 ZINC000072273525 563431739 /nfs/dbraw/zinc/43/17/39/563431739.db2.gz LLIHQYSOSJPNAV-UHFFFAOYSA-N 0 0 304.777 3.697 50 0 DHAARN COc1cc2nc(=S)[nH]c(NCCC(C)C)c2cc1OC ZINC000013660104 563467919 /nfs/dbraw/zinc/46/79/19/563467919.db2.gz YALOTVIHYAFCNM-UHFFFAOYSA-N 0 0 307.419 3.768 50 0 DHAARN Cc1ncsc1CNc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000097235445 563514396 /nfs/dbraw/zinc/51/43/96/563514396.db2.gz LFYNMCHCMDLZGS-UHFFFAOYSA-N 0 0 303.431 3.510 50 0 DHAARN CCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000029444 563211138 /nfs/dbraw/zinc/21/11/38/563211138.db2.gz NEZSUKPSMRGHFP-UHFFFAOYSA-N 0 0 317.454 3.823 50 0 DHAARN CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1 ZINC000000007274 563211150 /nfs/dbraw/zinc/21/11/50/563211150.db2.gz MNHXYNNKDDXKNP-UHFFFAOYSA-N 0 0 313.788 3.694 50 0 in-vitro DHAARN CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCC2 ZINC000000035358 563211238 /nfs/dbraw/zinc/21/12/38/563211238.db2.gz QYYNYBFOCACFMF-UHFFFAOYSA-N 0 0 307.415 3.542 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000000035972 563211307 /nfs/dbraw/zinc/21/13/07/563211307.db2.gz PMVIDEWYBHLYMO-UHFFFAOYSA-N 0 0 324.163 3.652 50 0 DHAARN CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 ZINC000000044469 563211702 /nfs/dbraw/zinc/21/17/02/563211702.db2.gz ZXPUYXUKKDNJGZ-GFCCVEGCSA-N 0 0 300.354 3.974 50 0 DHAARN O=C(Nc1ccc2nnsc2c1)Nc1cccc(Cl)c1 ZINC000000076940 563213797 /nfs/dbraw/zinc/21/37/97/563213797.db2.gz OSPVOUOJNFDDEX-UHFFFAOYSA-N 0 0 304.762 3.989 50 0 DHAARN Cc1ccc(-c2nnnn2-c2ccccc2C(F)(F)F)cc1 ZINC000000077810 563213847 /nfs/dbraw/zinc/21/38/47/563213847.db2.gz PKCZKCDEIBHSEE-UHFFFAOYSA-N 0 0 304.275 3.657 50 0 DHAARN COc1cc(C(F)(F)F)c(C(=O)Nc2cccc(C)c2C)cn1 ZINC000000077751 563214007 /nfs/dbraw/zinc/21/40/07/563214007.db2.gz LRRYZBMVLUFJFW-UHFFFAOYSA-N 0 0 324.302 3.978 50 0 DHAARN CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000000082129 563214641 /nfs/dbraw/zinc/21/46/41/563214641.db2.gz AXOBLWLBBFCXOG-UHFFFAOYSA-N 0 0 318.682 3.721 50 0 DHAARN Oc1ccc2ccccc2c1Sc1nnnn1-c1ccccc1 ZINC000000091605 563215823 /nfs/dbraw/zinc/21/58/23/563215823.db2.gz FYYIVMBULWGHIN-UHFFFAOYSA-N 0 0 320.377 3.672 50 0 DHAARN COc1c(Cl)ccc(Cl)c1C(=O)NCCc1ccccc1 ZINC000000094904 563216300 /nfs/dbraw/zinc/21/63/00/563216300.db2.gz YGSCVMVTJZVZGL-UHFFFAOYSA-N 0 0 324.207 3.975 50 0 biogenic DHAARN COc1ccc(Cl)cc1C(=O)Nc1cccc2nsnc21 ZINC000000104058 563217426 /nfs/dbraw/zinc/21/74/26/563217426.db2.gz MSNHFWQWIJTNNG-UHFFFAOYSA-N 0 0 319.773 3.606 50 0 DHAARN O=c1c2ccccc2c(-c2ccccc2)nn1CN1CCCCC1 ZINC000000104692 563217432 /nfs/dbraw/zinc/21/74/32/563217432.db2.gz LFBDXSMOKWHEGQ-UHFFFAOYSA-N 0 0 319.408 3.507 50 0 DHAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)C1CCCCC1 ZINC000000112163 563218763 /nfs/dbraw/zinc/21/87/63/563218763.db2.gz NSYCDEJRGSRQAJ-UHFFFAOYSA-N 0 0 312.365 3.767 50 0 DHAARN CCOC(=O)c1c(C)nn(-c2ccc(C(F)(F)F)cc2)c1C ZINC000000109939 563218808 /nfs/dbraw/zinc/21/88/08/563218808.db2.gz NFDAZKRBKHLWEH-UHFFFAOYSA-N 0 0 312.291 3.685 50 0 DHAARN O=C(c1ccccc1)n1nccc1-c1cc(-c2ccccc2)no1 ZINC000000123977 563220603 /nfs/dbraw/zinc/22/06/03/563220603.db2.gz FAPVYXYRWRUQSL-UHFFFAOYSA-N 0 0 315.332 3.894 50 0 DHAARN CCOC(=O)c1cc(C)nc(Sc2ccccc2Cl)n1 ZINC000000126876 563221208 /nfs/dbraw/zinc/22/12/08/563221208.db2.gz XLGMNJTZKSPOBO-UHFFFAOYSA-N 0 0 308.790 3.766 50 0 DHAARN O=C(NCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000000131594 563221687 /nfs/dbraw/zinc/22/16/87/563221687.db2.gz LZFPRHTWKAARHI-UHFFFAOYSA-N 0 0 300.408 3.802 50 0 DHAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CCCCC1 ZINC000000139405 563222857 /nfs/dbraw/zinc/22/28/57/563222857.db2.gz BFJYNBFFHQILFL-UHFFFAOYSA-N 0 0 317.820 3.897 50 0 DHAARN Cc1cccc(NC(=O)COc2ccccc2Br)c1 ZINC000000141174 563223333 /nfs/dbraw/zinc/22/33/33/563223333.db2.gz IGNYXLUWQIRZNZ-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000000145192 563223794 /nfs/dbraw/zinc/22/37/94/563223794.db2.gz CAXHZJKUHBMSPS-UHFFFAOYSA-N 0 0 303.427 3.921 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccccc3)ccc12 ZINC000000146170 563223995 /nfs/dbraw/zinc/22/39/95/563223995.db2.gz PZKUGQUBGDJUPT-JXMROGBWSA-N 0 0 306.317 3.720 50 0 biogenic DHAARN Cn1nc(C(C)(C)C)c(NC(=O)c2cccnc2)c1C(C)(C)C ZINC000000147235 563224621 /nfs/dbraw/zinc/22/46/21/563224621.db2.gz LAYOICGOEOSTEY-UHFFFAOYSA-N 0 0 314.433 3.662 50 0 DHAARN Cc1cc(C)c(C(=O)CSc2nc(C)cc(C)n2)c(C)c1 ZINC000000152198 563225145 /nfs/dbraw/zinc/22/51/45/563225145.db2.gz QALUXLIDLWBAGV-UHFFFAOYSA-N 0 0 300.427 3.994 50 0 DHAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CC1 ZINC000000151402 563225213 /nfs/dbraw/zinc/22/52/13/563225213.db2.gz WBHIOZUCNXKPHA-UHFFFAOYSA-N 0 0 315.394 3.940 50 0 DHAARN Cc1nn(C)c(C)c1CNC(=O)Nc1csc2ccccc12 ZINC000000159409 563225714 /nfs/dbraw/zinc/22/57/14/563225714.db2.gz WFZPGUUTCBHGNJ-UHFFFAOYSA-N 0 0 314.414 3.573 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000155584 563225887 /nfs/dbraw/zinc/22/58/87/563225887.db2.gz BLYRTIVPDSDPJF-UHFFFAOYSA-N 0 0 303.749 3.942 50 0 DHAARN CC(C)(C)C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000000172768 563227244 /nfs/dbraw/zinc/22/72/44/563227244.db2.gz OKZXZCBIZAMFCW-UHFFFAOYSA-N 0 0 304.337 3.565 50 0 DHAARN COc1cc2c(cc1OC)C(c1cccc(Cl)c1)=NCC2 ZINC000000171669 563227537 /nfs/dbraw/zinc/22/75/37/563227537.db2.gz QEQAPBVOPDXXRB-UHFFFAOYSA-N 0 0 301.773 3.751 50 0 DHAARN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000000175938 563228082 /nfs/dbraw/zinc/22/80/82/563228082.db2.gz LULTVVBYZIRMOJ-INIZCTEOSA-N 0 0 322.408 3.549 50 0 DHAARN COc1cccc(OC)c1C(=O)Oc1cccc2ccc(C)nc21 ZINC000000181804 563228500 /nfs/dbraw/zinc/22/85/00/563228500.db2.gz LWEMFBNCOKHSGA-UHFFFAOYSA-N 0 0 323.348 3.780 50 0 DHAARN O=C1c2ccccc2C(=O)N1CNc1ccc(Cl)c(Cl)c1 ZINC000000178663 563228741 /nfs/dbraw/zinc/22/87/41/563228741.db2.gz GHFYXLZKGGGKBS-UHFFFAOYSA-N 0 0 321.163 3.659 50 0 DHAARN CCOc1nc(Nc2ccc(C(C)C)cc2)nc(OCC)n1 ZINC000000183893 563229199 /nfs/dbraw/zinc/22/91/99/563229199.db2.gz VEQDDCIEIZQEHH-UHFFFAOYSA-N 0 0 302.378 3.536 50 0 DHAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1 ZINC000000192805 563229669 /nfs/dbraw/zinc/22/96/69/563229669.db2.gz QILKGTFTBNHYFG-UHFFFAOYSA-N 0 0 315.804 3.978 50 0 DHAARN O=C(Nc1ccccc1N1CCOCC1)c1cc2ccccc2o1 ZINC000000203524 563230279 /nfs/dbraw/zinc/23/02/79/563230279.db2.gz OUVJPYYMYYWUDE-UHFFFAOYSA-N 0 0 322.364 3.522 50 0 DHAARN Cc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000202388 563230483 /nfs/dbraw/zinc/23/04/83/563230483.db2.gz WMJYFPLRHFKBDA-OQLLNIDSSA-N 0 0 312.756 3.746 50 0 DHAARN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1Br ZINC000000236130 563232284 /nfs/dbraw/zinc/23/22/84/563232284.db2.gz YQDRINXKPVXZOP-UHFFFAOYSA-N 0 0 316.154 3.558 50 0 DHAARN Cc1cccc(C)c1OC[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000000242846 563232712 /nfs/dbraw/zinc/23/27/12/563232712.db2.gz LTFLIVFKVNIORO-QGZVFWFLSA-N 0 0 324.424 3.710 50 0 DHAARN O=C(CSC1=NCCS1)Nc1cccc2ccccc21 ZINC000000243899 563232922 /nfs/dbraw/zinc/23/29/22/563232922.db2.gz WSIFIPYIDWFKSR-UHFFFAOYSA-N 0 0 302.424 3.614 50 0 aggregator DHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OC(C)C)cc12 ZINC000000241020 563232938 /nfs/dbraw/zinc/23/29/38/563232938.db2.gz JIYXPYADIQPNIL-UHFFFAOYSA-N 0 0 300.383 3.961 50 0 DHAARN CCOC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000000239580 563232964 /nfs/dbraw/zinc/23/29/64/563232964.db2.gz HJMSYYJLUNHYCB-LBPRGKRZSA-N 0 0 316.228 3.769 50 0 DHAARN Cc1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000000248896 563233505 /nfs/dbraw/zinc/23/35/05/563233505.db2.gz FOEGASJMXNGISL-UHFFFAOYSA-N 0 0 303.427 3.994 50 0 DHAARN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000254719 563234000 /nfs/dbraw/zinc/23/40/00/563234000.db2.gz CALNUDRLRJURKB-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN CC(C)(C)c1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1 ZINC000000253511 563234047 /nfs/dbraw/zinc/23/40/47/563234047.db2.gz LYLHXWKRSNKAHH-INIZCTEOSA-N 0 0 324.424 3.774 50 0 DHAARN CCc1cc(=O)oc2c(C)c(O[C@H]3CCCCC3=O)ccc12 ZINC000000253035 563234067 /nfs/dbraw/zinc/23/40/67/563234067.db2.gz CJQNLVBORGTWFJ-INIZCTEOSA-N 0 0 300.354 3.554 50 0 DHAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccncc1 ZINC000000262216 563234503 /nfs/dbraw/zinc/23/45/03/563234503.db2.gz ZOWHNCHESFOYMB-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN O=[N+]([O-])C(=C(Cl)C(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000000261991 563234640 /nfs/dbraw/zinc/23/46/40/563234640.db2.gz NMWNNVAECBLGFO-UHFFFAOYSA-N 0 0 306.536 3.855 50 0 DHAARN Cn1ccnc1[C@H](O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000275529 563235225 /nfs/dbraw/zinc/23/52/25/563235225.db2.gz NBNYVFRYCHQSQM-OAHLLOKOSA-N 0 0 316.445 3.802 50 0 DHAARN CCc1c(O)nc(S[C@@H](C)CC)n(C2CCCCC2)c1=O ZINC000000271640 563235516 /nfs/dbraw/zinc/23/55/16/563235516.db2.gz FTPNSDWBKKKEMJ-NSHDSACASA-N 0 0 310.463 3.907 50 0 DHAARN S=C(NCCc1ccccc1)NCc1ccccc1Cl ZINC000000306752 563238333 /nfs/dbraw/zinc/23/83/33/563238333.db2.gz GIUCIXIKCLJEDM-UHFFFAOYSA-N 0 0 304.846 3.547 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2cccc3cccnc32)cc1 ZINC000000305980 563238444 /nfs/dbraw/zinc/23/84/44/563238444.db2.gz AUQALBOKDHOGCL-FMIVXFBMSA-N 0 0 304.349 3.895 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 ZINC000000307882 563239000 /nfs/dbraw/zinc/23/90/00/563239000.db2.gz SHRYMQSPQHYYBC-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN C[C@@H]1CCc2c(sc3[nH]c(Cc4ccccc4)nc(=O)c23)C1 ZINC000000316061 563240193 /nfs/dbraw/zinc/24/01/93/563240193.db2.gz RIXLNVPBPAISES-LLVKDONJSA-N 0 0 310.422 3.700 50 0 DHAARN CCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000341982 563242160 /nfs/dbraw/zinc/24/21/60/563242160.db2.gz YMRNRUPDUASOBG-UHFFFAOYSA-N 0 0 310.728 3.582 50 0 DHAARN Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1Cl ZINC000000352812 563243783 /nfs/dbraw/zinc/24/37/83/563243783.db2.gz SPIIDRMCTHYLNE-SJORKVTESA-N 0 0 321.804 3.709 50 0 DHAARN Cc1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000363236 563244976 /nfs/dbraw/zinc/24/49/76/563244976.db2.gz HPQZTALGKRRNMA-UHFFFAOYSA-N 0 0 311.406 3.627 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000000361997 563245008 /nfs/dbraw/zinc/24/50/08/563245008.db2.gz IZIFURIOEMPMLV-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN Cc1cccc(OC(=O)c2cncc(Br)c2)c1C ZINC000000364183 563245351 /nfs/dbraw/zinc/24/53/51/563245351.db2.gz LPQOHBCYBJMDQY-UHFFFAOYSA-N 0 0 306.159 3.680 50 0 DHAARN COC(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000000373409 563246495 /nfs/dbraw/zinc/24/64/95/563246495.db2.gz ZIRVVQSGDUTMBG-UHFFFAOYSA-N 0 0 300.232 3.664 50 0 DHAARN Cc1ccc(C)c(OCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000000371295 563246518 /nfs/dbraw/zinc/24/65/18/563246518.db2.gz LUBULTHKMYDJTN-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN CCOc1cc(C(=O)NCCC(C)C)cc(OCC)c1OCC ZINC000000376301 563247038 /nfs/dbraw/zinc/24/70/38/563247038.db2.gz VCBYDBPIYIIIPE-UHFFFAOYSA-N 0 0 323.433 3.659 50 0 DHAARN COc1ccc(NC(=O)c2cccc(OC(F)F)c2)c(C)c1 ZINC000000375183 563247104 /nfs/dbraw/zinc/24/71/04/563247104.db2.gz YMRFZZDXHPULOK-UHFFFAOYSA-N 0 0 307.296 3.857 50 0 DHAARN CCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000000380174 563247675 /nfs/dbraw/zinc/24/76/75/563247675.db2.gz ZTDNJZBUTWTQEW-UHFFFAOYSA-N 0 0 319.426 3.811 50 0 DHAARN Clc1ccccc1-c1nnc2sc(-c3ccccn3)nn21 ZINC000000383124 563248135 /nfs/dbraw/zinc/24/81/35/563248135.db2.gz QFEZYJCWAAOWQB-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN COc1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 ZINC000000382627 563248412 /nfs/dbraw/zinc/24/84/12/563248412.db2.gz ILIRVBRVPBZLFA-AWEZNQCLSA-N 0 0 315.438 3.801 50 0 DHAARN COC(=O)c1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1C ZINC000000407425 563251387 /nfs/dbraw/zinc/25/13/87/563251387.db2.gz BNEWESIICMSMNC-UHFFFAOYSA-N 0 0 324.332 3.989 50 0 DHAARN CCc1cc(=O)oc2cc(COc3ccc(OC)cc3)ccc12 ZINC000000403710 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563281396 /nfs/dbraw/zinc/28/13/96/563281396.db2.gz VKHNBJSZRVWINA-LBPRGKRZSA-N 0 0 303.333 3.982 50 0 DHAARN Cc1ccc(C(=O)c2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000001390427 563282048 /nfs/dbraw/zinc/28/20/48/563282048.db2.gz ALQJQTCTWZXIOL-UHFFFAOYSA-N 0 0 315.735 3.599 50 0 DHAARN O=C1c2ccccc2SCC12COC(c1ccccc1)OC2 ZINC000001391206 563282189 /nfs/dbraw/zinc/28/21/89/563282189.db2.gz KPLYKHKJNQKVSK-UHFFFAOYSA-N 0 0 312.390 3.707 50 0 DHAARN CCOC(=O)c1cnc(SC)nc1Nc1ccc(Cl)cc1 ZINC000001394105 563282290 /nfs/dbraw/zinc/28/22/90/563282290.db2.gz RPMSTNFSVDYFLH-UHFFFAOYSA-N 0 0 323.805 3.772 50 0 DHAARN O=C(COc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000001449230 563284163 /nfs/dbraw/zinc/28/41/63/563284163.db2.gz VGPOBWBIGCAKJU-UHFFFAOYSA-N 0 0 313.250 3.862 50 0 DHAARN Cc1noc([C@@H](C)[S@](=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000071888565 563293334 /nfs/dbraw/zinc/29/33/34/563293334.db2.gz FQYNUSULVSALGC-XJZHNMMOSA-N 0 0 319.213 3.695 50 0 DHAARN O=C(Nc1ccccc1I)c1ccccc1 ZINC000001726867 563293968 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/nfs/dbraw/zinc/50/63/92/563506392.db2.gz QTQNVMFWVHTMTE-NWDGAFQWSA-N 0 0 319.430 3.776 50 0 DHAARN Clc1ccccc1CNc1nc(-c2ccncc2)ns1 ZINC000097143594 563506648 /nfs/dbraw/zinc/50/66/48/563506648.db2.gz BRQYUWWCOOUZHZ-UHFFFAOYSA-N 0 0 302.790 3.866 50 0 DHAARN COc1ccc(CC(=O)Nc2cc(Cl)nc(Cl)c2)cc1 ZINC000097163210 563507425 /nfs/dbraw/zinc/50/74/25/563507425.db2.gz HAFNLIORYOQTMT-UHFFFAOYSA-N 0 0 311.168 3.578 50 0 DHAARN Cc1ccccc1SC1CCN(C(=O)c2ccncc2)CC1 ZINC000077376636 563508888 /nfs/dbraw/zinc/50/88/88/563508888.db2.gz ADRAAYLCGPKVBA-UHFFFAOYSA-N 0 0 312.438 3.787 50 0 DHAARN CC(C)n1cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000077354644 563508973 /nfs/dbraw/zinc/50/89/73/563508973.db2.gz YVBKRIAOKYTQLP-KRWDZBQOSA-N 0 0 311.429 3.874 50 0 DHAARN CSc1ncccc1C(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000077354956 563508988 /nfs/dbraw/zinc/50/89/88/563508988.db2.gz KQRREPYHSMYYRB-OAHLLOKOSA-N 0 0 313.426 3.566 50 0 DHAARN COc1ccc(OC[C@H]2CCCN(C(=O)C3CCCC3)C2)cc1 ZINC000077322200 563509010 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ZINC000585141131 563519244 /nfs/dbraw/zinc/51/92/44/563519244.db2.gz PSMPJADTCPMMNO-LBPRGKRZSA-N 0 0 317.458 3.548 50 0 DHAARN c1csc([C@@H]2CN(Cc3csc4ccccc34)CCO2)n1 ZINC000097200034 563519255 /nfs/dbraw/zinc/51/92/55/563519255.db2.gz KIFOHADGZUWJFU-AWEZNQCLSA-N 0 0 316.451 3.931 50 0 DHAARN CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)n(C)n1 ZINC000085479131 563521223 /nfs/dbraw/zinc/52/12/23/563521223.db2.gz IDJAWRQPXXSHKX-OAHLLOKOSA-N 0 0 315.417 3.894 50 0 DHAARN O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccco1 ZINC000585147964 563521753 /nfs/dbraw/zinc/52/17/53/563521753.db2.gz KPQYKEXLSCGTRS-SNVBAGLBSA-N 0 0 319.407 3.533 50 0 DHAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCc2ccccc21 ZINC000011368007 563522724 /nfs/dbraw/zinc/52/27/24/563522724.db2.gz QPRNABNXLQLVRM-UHFFFAOYSA-N 0 0 318.376 3.864 50 0 DHAARN Nc1ccc(Br)cc1-c1nnc(-c2ccsc2)[nH]1 ZINC000585157949 563523391 /nfs/dbraw/zinc/52/33/91/563523391.db2.gz UQDAHNMWSGJEHA-UHFFFAOYSA-N 0 0 321.203 3.545 50 0 DHAARN CCCc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)[nH]1 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CSc1ccccc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000096148418 563534078 /nfs/dbraw/zinc/53/40/78/563534078.db2.gz WBHGKUVNHRRRGK-GUYCJALGSA-N 0 0 320.458 3.567 50 0 DHAARN CCCn1nc(C2(c3ccccc3)CC2)nc1-c1ocnc1C ZINC000096149127 563534139 /nfs/dbraw/zinc/53/41/39/563534139.db2.gz FTDZGBJNUPCXLL-UHFFFAOYSA-N 0 0 308.385 3.731 50 0 DHAARN CCCCN(Cc1ccncc1)C(=O)Nc1ccc(C)nc1C ZINC000096153483 563534783 /nfs/dbraw/zinc/53/47/83/563534783.db2.gz YCEGBDCKSXHHSO-UHFFFAOYSA-N 0 0 312.417 3.928 50 0 DHAARN Cc1ccc2nc(C)c(C)c(-c3nc([C@H]4CCOC4)no3)c2c1 ZINC000096152973 563534832 /nfs/dbraw/zinc/53/48/32/563534832.db2.gz FMCGAOYKJMBEIP-ZDUSSCGKSA-N 0 0 309.369 3.714 50 0 DHAARN COc1cccc(-c2c[nH]c(C)n2)c1C(=O)N(C(C)C)C(C)C ZINC000096152107 563534919 /nfs/dbraw/zinc/53/49/19/563534919.db2.gz FKSYEFJFJYBPSX-UHFFFAOYSA-N 0 0 315.417 3.653 50 0 DHAARN CC1=CC[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C1 ZINC000000097631 563536416 /nfs/dbraw/zinc/53/64/16/563536416.db2.gz GMKLHNRYWLFCTM-OLZOCXBDSA-N 0 0 309.287 3.551 50 0 DHAARN COc1ccc(-n2cc3[nH]c4ccccc4c(C)c-3c2=O)cc1 ZINC000096319286 563536446 /nfs/dbraw/zinc/53/64/46/563536446.db2.gz BIBWBHNYHPIMGA-UHFFFAOYSA-N 0 0 304.349 3.712 50 0 DHAARN CCCCOc1ccccc1CN1c2ccccc2C(=O)C1=O ZINC000011612337 563537812 /nfs/dbraw/zinc/53/78/12/563537812.db2.gz HEDJOGSZXGLQKQ-UHFFFAOYSA-N 0 0 309.365 3.595 50 0 DHAARN CC(C)CCOc1ccc(CN2c3ccccc3C(=O)C2=O)cc1 ZINC000011612339 563538038 /nfs/dbraw/zinc/53/80/38/563538038.db2.gz LLMJCWLBRYOVRQ-UHFFFAOYSA-N 0 0 323.392 3.841 50 0 DHAARN CC(C)n1cncc1CN(C)Cc1nc2ccccc2s1 ZINC000097604200 563540388 /nfs/dbraw/zinc/54/03/88/563540388.db2.gz QFZAYFDOQNNPLK-UHFFFAOYSA-N 0 0 300.431 3.706 50 0 DHAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1c[nH]c(=O)c3ccccc13)C2 ZINC000097813882 563542786 /nfs/dbraw/zinc/54/27/86/563542786.db2.gz OTFLFYYAZHSMCX-ZUOKHONESA-N 0 0 324.424 3.569 50 0 DHAARN COc1ccc(Cl)cc1C[C@@H]1C(=O)Nc2c1cccc2C ZINC000101016692 563555793 /nfs/dbraw/zinc/55/57/93/563555793.db2.gz JFLOUQKJJKMNOS-AWEZNQCLSA-N 0 0 301.773 3.935 50 0 DHAARN CC(C)Oc1ccc(C(=O)Nc2cc(=O)oc3ccccc23)cc1 ZINC000101568949 563557974 /nfs/dbraw/zinc/55/79/74/563557974.db2.gz FOSCUQYUGSZXPC-UHFFFAOYSA-N 0 0 323.348 3.833 50 0 DHAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccccc1-c1ccccc1 ZINC000101654073 563558174 /nfs/dbraw/zinc/55/81/74/563558174.db2.gz HSUUAVPLNLLZLJ-IAGOWNOFSA-N 0 0 303.361 3.809 50 0 DHAARN C[C@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C[C@H](C)O1 ZINC000101978386 563558687 /nfs/dbraw/zinc/55/86/87/563558687.db2.gz OVLKUSWBFCKOFN-YSZQCCMESA-N 0 0 305.462 3.619 50 0 DHAARN CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)c2ccc(C)cc2)n1 ZINC000014092670 563559283 /nfs/dbraw/zinc/55/92/83/563559283.db2.gz UWUBSIUMQJGYOK-GFCCVEGCSA-N 0 0 316.426 3.807 50 0 DHAARN CCOc1ccc2c(c1)occ(Oc1ccc(OC)cc1)c2=O ZINC000000120937 563571299 /nfs/dbraw/zinc/57/12/99/563571299.db2.gz FNZQQYMQJIQMSV-UHFFFAOYSA-N 0 0 312.321 3.993 50 0 biogenic DHAARN CCc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1 ZINC000000130718 563571805 /nfs/dbraw/zinc/57/18/05/563571805.db2.gz FEAGQRFEXONTQE-UHFFFAOYSA-N 0 0 311.381 3.661 50 0 DHAARN Cc1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1C ZINC000000131925 563571879 /nfs/dbraw/zinc/57/18/79/563571879.db2.gz JLKHTEZKMPTEKO-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(F)cc1)CSC2 ZINC000000189433 563576702 /nfs/dbraw/zinc/57/67/02/563576702.db2.gz IUJMJKCIKOMWFA-UHFFFAOYSA-N 0 0 319.405 3.776 50 0 DHAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N ZINC000000193323 563577203 /nfs/dbraw/zinc/57/72/03/563577203.db2.gz ZJNQRITVJGUHTL-UHFFFAOYSA-N 0 0 311.168 3.837 50 0 DHAARN CC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000000200845 563577872 /nfs/dbraw/zinc/57/78/72/563577872.db2.gz VFMYXCKYAQBRSN-HNNXBMFYSA-N 0 0 321.424 3.899 50 0 DHAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)OC(=O)C2 ZINC000000207150 563578142 /nfs/dbraw/zinc/57/81/42/563578142.db2.gz KYWVTUZLEGHSQS-LJQANCHMSA-N 0 0 312.365 3.673 50 0 biogenic DHAARN CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000000214015 563578661 /nfs/dbraw/zinc/57/86/61/563578661.db2.gz VOAUSLOMHKDQEL-UHFFFAOYSA-N 0 0 321.405 3.979 50 0 DHAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 ZINC000000222030 563579173 /nfs/dbraw/zinc/57/91/73/563579173.db2.gz FZGCRWCWZAPWNW-SJORKVTESA-N 0 0 324.359 3.572 50 0 DHAARN C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccccc1 ZINC000000218398 563579417 /nfs/dbraw/zinc/57/94/17/563579417.db2.gz HYUDFFXKBAIIFJ-OAHLLOKOSA-N 0 0 306.409 3.988 50 0 DHAARN O=C(CCn1c2ccccc2oc1=S)NC1CCCCC1 ZINC000000224663 563580042 /nfs/dbraw/zinc/58/00/42/563580042.db2.gz MRQLHOZXZYTOQL-UHFFFAOYSA-N 0 0 304.415 3.803 50 0 biogenic DHAARN Cc1ccccc1CSC1=NCCN1C(=O)c1cccs1 ZINC000000244548 563581067 /nfs/dbraw/zinc/58/10/67/563581067.db2.gz HMEUTNHGFDKKCW-UHFFFAOYSA-N 0 0 316.451 3.802 50 0 DHAARN COc1ccc(OC(=O)c2ccc(Cl)cc2)c(C(C)=O)c1 ZINC000000262434 563583038 /nfs/dbraw/zinc/58/30/38/563583038.db2.gz BQRZEELNPPATAP-UHFFFAOYSA-N 0 0 304.729 3.770 50 0 biogenic DHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000000253735 563583090 /nfs/dbraw/zinc/58/30/90/563583090.db2.gz XGQZRSAYZRXNTH-UHFFFAOYSA-N 0 0 314.385 3.677 50 0 DHAARN COc1cc(-c2ccc3c(c2)OCO3)cc(=O)c2c(C)oc(C)c21 ZINC000000285889 563584861 /nfs/dbraw/zinc/58/48/61/563584861.db2.gz GVHCTCPWTCXBQL-UHFFFAOYSA-N 0 0 324.332 3.814 50 0 biogenic DHAARN COc1ccccc1CNC(=O)Cc1cccc2ccccc21 ZINC000000299218 563585390 /nfs/dbraw/zinc/58/53/90/563585390.db2.gz MIAZRBJTMHHIOZ-UHFFFAOYSA-N 0 0 305.377 3.707 50 0 biogenic DHAARN NC(=O)[C@H]1CCCc2c3ccccc3n(Cc3ccccc3)c21 ZINC000000318468 563587921 /nfs/dbraw/zinc/58/79/21/563587921.db2.gz DLDVEAOFGGHINB-KRWDZBQOSA-N 0 0 304.393 3.595 50 0 DHAARN O=S(=O)(Nc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000000318742 563587939 /nfs/dbraw/zinc/58/79/39/563587939.db2.gz MDHCIRWVGRYVMJ-UHFFFAOYSA-N 0 0 301.342 3.780 50 0 DHAARN Cc1cc2c(c(C)c1)N(CCCOc1ccccc1C)C(=O)C2=O ZINC000011692655 563588462 /nfs/dbraw/zinc/58/84/62/563588462.db2.gz QYNFXWRNAJIPKH-UHFFFAOYSA-N 0 0 323.392 3.610 50 0 DHAARN c1nn(Cc2ccccc2)c2ncnc(Nc3ccccc3)c12 ZINC000000348708 563589434 /nfs/dbraw/zinc/58/94/34/563589434.db2.gz SRMUSAVLUUXVPS-UHFFFAOYSA-N 0 0 301.353 3.618 50 0 DHAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1O ZINC000000365103 563590821 /nfs/dbraw/zinc/59/08/21/563590821.db2.gz LLTRMAKQEBASMT-NSHDSACASA-N 0 0 305.761 3.760 50 0 DHAARN CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000004902071 563592747 /nfs/dbraw/zinc/59/27/47/563592747.db2.gz GZWKOVYDQDIEES-IBGZPJMESA-N 0 0 324.424 3.656 50 0 DHAARN O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000004907874 563592880 /nfs/dbraw/zinc/59/28/80/563592880.db2.gz LZCVYXYAMHBSLV-UHFFFAOYSA-N 0 0 324.449 3.691 50 0 DHAARN Cc1ccccc1[C@@H]1c2cccn2CCN1C(=O)NC(C)(C)C ZINC000033560937 563594626 /nfs/dbraw/zinc/59/46/26/563594626.db2.gz CXIBSLBFCCJQCD-QGZVFWFLSA-N 0 0 311.429 3.710 50 0 DHAARN Cc1cc(Cl)ncc1NC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000135867340 563596372 /nfs/dbraw/zinc/59/63/72/563596372.db2.gz OMRBYKRYNKDWNB-UHFFFAOYSA-N 0 0 312.760 3.686 50 0 DHAARN O=c1c2ccccc2scc1N1CCN(c2ccccc2)CC1 ZINC000005087939 563596960 /nfs/dbraw/zinc/59/69/60/563596960.db2.gz ZOJKQTVRADSUJK-UHFFFAOYSA-N 0 0 322.433 3.588 50 0 DHAARN CC(=O)Nc1ccc(Nc2nc(Cl)nc3ccccc32)cc1 ZINC000011756282 563599018 /nfs/dbraw/zinc/59/90/18/563599018.db2.gz VTLZEXWTYRANGJ-UHFFFAOYSA-N 0 0 312.760 3.985 50 0 DHAARN CC(C)(C)Oc1ccccc1CNC(=O)c1ccncc1Cl ZINC000073138716 563599100 /nfs/dbraw/zinc/59/91/00/563599100.db2.gz VCHSJBHZNXRIMP-UHFFFAOYSA-N 0 0 318.804 3.842 50 0 DHAARN O=C(c1cncc(Br)c1)N1CCC[C@H]1C1CCCC1 ZINC000044352657 563600062 /nfs/dbraw/zinc/60/00/62/563600062.db2.gz XJFNLLILPDJINK-AWEZNQCLSA-N 0 0 323.234 3.639 50 0 DHAARN COc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2)CC1 ZINC000011899228 563601160 /nfs/dbraw/zinc/60/11/60/563601160.db2.gz WUBJEEJGSAHLHM-UHFFFAOYSA-N 0 0 315.800 3.810 50 0 DHAARN Cc1cc(C(=O)CSc2nccn2C2CC2)c(C)n1C1CC1 ZINC000011893709 563601315 /nfs/dbraw/zinc/60/13/15/563601315.db2.gz YRNLJOURCZLUIC-UHFFFAOYSA-N 0 0 315.442 3.946 50 0 DHAARN CCCCC(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 ZINC000011913736 563601364 /nfs/dbraw/zinc/60/13/64/563601364.db2.gz MQMINWNBHRXYAO-UHFFFAOYSA-N 0 0 303.362 3.653 50 0 DHAARN Cc1cccc(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000011914414 563601720 /nfs/dbraw/zinc/60/17/20/563601720.db2.gz IKNAFOIXTNUWBQ-UHFFFAOYSA-N 0 0 301.396 3.827 50 0 DHAARN CCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 ZINC000011914190 563601766 /nfs/dbraw/zinc/60/17/66/563601766.db2.gz XLBXBHJBEZNFIV-UHFFFAOYSA-N 0 0 300.358 3.595 50 0 DHAARN Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000011916744 563601871 /nfs/dbraw/zinc/60/18/71/563601871.db2.gz KLTHWSQYUKWYPA-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000011922252 563602783 /nfs/dbraw/zinc/60/27/83/563602783.db2.gz FRDSQLQBPRCKMC-UHFFFAOYSA-N 0 0 305.381 3.679 50 0 DHAARN OC1(c2nc(-c3ccccc3OCc3ccccc3)no2)CCC1 ZINC000125511068 563603028 /nfs/dbraw/zinc/60/30/28/563603028.db2.gz JFNYZFGZVFJHOO-UHFFFAOYSA-N 0 0 322.364 3.687 50 0 DHAARN CC(=O)Nc1c(C)cccc1C(=O)OCc1cccc(F)c1F ZINC000011946642 563603056 /nfs/dbraw/zinc/60/30/56/563603056.db2.gz ODJUDQUNWQGBID-UHFFFAOYSA-N 0 0 319.307 3.589 50 0 DHAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)C[C@@H]1CCCCO1 ZINC000126194584 563603733 /nfs/dbraw/zinc/60/37/33/563603733.db2.gz XVHILKDFMPUZRU-INIZCTEOSA-N 0 0 318.461 3.558 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)CCc1ccc2[nH]cnc2c1 ZINC000075478855 563606187 /nfs/dbraw/zinc/60/61/87/563606187.db2.gz ZOVUKYSMGJITFQ-OAHLLOKOSA-N 0 0 321.424 3.633 50 0 DHAARN COc1ccc(N[C@@H](C)c2coc(C)n2)c(Br)c1 ZINC000252488208 563610336 /nfs/dbraw/zinc/61/03/36/563610336.db2.gz INKZQSRDNVGSTD-QMMMGPOBSA-N 0 0 311.179 3.927 50 0 DHAARN Cc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2C)n1 ZINC000000411248 563611605 /nfs/dbraw/zinc/61/16/05/563611605.db2.gz AVJMRSMGQDMGPC-UHFFFAOYSA-N 0 0 321.833 3.786 50 0 DHAARN COc1c(C[NH2+]Cc2c(C)c(C)c(C)c(C)c2C)c(C)nn1C ZINC000158859294 563612005 /nfs/dbraw/zinc/61/20/05/563612005.db2.gz UTNQHQJHFOXCOY-UHFFFAOYSA-N 0 0 315.461 3.569 50 0 DHAARN O=C(CSc1nnc(-c2cccs2)o1)OC1CCCCC1 ZINC000000421935 563612231 /nfs/dbraw/zinc/61/22/31/563612231.db2.gz KMJJCFKJOLSBKI-UHFFFAOYSA-N 0 0 324.427 3.766 50 0 DHAARN Cc1cccc(C(=O)N2CCN=C2SCc2ccccc2)c1 ZINC000000429395 563613186 /nfs/dbraw/zinc/61/31/86/563613186.db2.gz PCBYQKVGFZSFSV-UHFFFAOYSA-N 0 0 310.422 3.740 50 0 DHAARN O=C(Nc1ccc(Br)cc1)c1noc2c1CCCC2 ZINC000000426346 563613297 /nfs/dbraw/zinc/61/32/97/563613297.db2.gz YSJUVACQKBNUGZ-UHFFFAOYSA-N 0 0 321.174 3.568 50 0 DHAARN COc1ccc(OC)c(/C=C2\N=C(C3CCCCC3)OC2=O)c1 ZINC000000430501 563613664 /nfs/dbraw/zinc/61/36/64/563613664.db2.gz ZZAJGVKEESKTBG-PTNGSMBKSA-N 0 0 315.369 3.580 50 0 DHAARN COc1ccc(C(=O)c2coc3ccc(OC(C)=O)cc23)cc1 ZINC000000433335 563614488 /nfs/dbraw/zinc/61/44/88/563614488.db2.gz XMDUWIYGGLYSPZ-UHFFFAOYSA-N 0 0 310.305 3.598 50 0 DHAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000000461497 563617915 /nfs/dbraw/zinc/61/79/15/563617915.db2.gz SXNWTVXRNMIINH-UHFFFAOYSA-N 0 0 324.163 3.652 50 0 DHAARN COc1ccc(N(C(=O)c2nc(C)sc2C)C(C)C)cc1F ZINC000179269769 563618502 /nfs/dbraw/zinc/61/85/02/563618502.db2.gz DKXMQXPPZXVJFH-UHFFFAOYSA-N 0 0 322.405 3.963 50 0 DHAARN O=C(NCc1cccc(Oc2ccccn2)c1)c1cccs1 ZINC000096382387 563619616 /nfs/dbraw/zinc/61/96/16/563619616.db2.gz STDVREZQNQNLHI-UHFFFAOYSA-N 0 0 310.378 3.865 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000005440645 563621606 /nfs/dbraw/zinc/62/16/06/563621606.db2.gz LBAUQYCAVHSOKR-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN COc1ccc(CC(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000005528162 563623023 /nfs/dbraw/zinc/62/30/23/563623023.db2.gz LYERCXIKQAAZPX-CYBMUJFWSA-N 0 0 313.372 3.745 50 0 DHAARN Cc1cc(C)c2c(c1)C[C@]1(C)C=C(C)C=C(C)[C@@H]1S2(=O)=O ZINC000004154604 563623085 /nfs/dbraw/zinc/62/30/85/563623085.db2.gz FQIXFDJXMNMOOR-ROUUACIJSA-N 0 0 302.439 3.914 50 0 DHAARN CO[C@@H](c1noc(C2(O)CCCCC2)n1)c1ccccc1Cl ZINC000275869394 563627027 /nfs/dbraw/zinc/62/70/27/563627027.db2.gz YQVZSPGAWNQERK-CYBMUJFWSA-N 0 0 322.792 3.611 50 0 DHAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000209597 563628171 /nfs/dbraw/zinc/62/81/71/563628171.db2.gz QKCAZDXRTBFBNR-UHFFFAOYSA-N 0 0 308.164 3.606 50 0 DHAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000000302590 563629104 /nfs/dbraw/zinc/62/91/04/563629104.db2.gz AKQGMGRLHJGDPJ-CQSZACIVSA-N 0 0 318.417 3.641 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000000398582 563629878 /nfs/dbraw/zinc/62/98/78/563629878.db2.gz VBTZVXMYIIFSRH-UHFFFAOYSA-N 0 0 302.305 3.646 50 0 DHAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2F)c1 ZINC000000505886 563629945 /nfs/dbraw/zinc/62/99/45/563629945.db2.gz AULFMIKMSGFDCB-UHFFFAOYSA-N 0 0 302.374 3.569 50 0 DHAARN O=C(Nc1cccc2ccccc21)N[C@H](CO)c1ccccc1 ZINC000000405895 563630193 /nfs/dbraw/zinc/63/01/93/563630193.db2.gz ISGPVOUXAOVMQC-GOSISDBHSA-N 0 0 306.365 3.695 50 0 DHAARN COC(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000000474818 563630737 /nfs/dbraw/zinc/63/07/37/563630737.db2.gz QPSLBLRMIGZAFX-BJMVGYQFSA-N 0 0 315.756 3.779 50 0 DHAARN O=C(c1nc2ccccc2s1)N1CC[C@@H](c2ccccc2)C1 ZINC000000618829 563631842 /nfs/dbraw/zinc/63/18/42/563631842.db2.gz DGMFYWKNSGUUIK-CQSZACIVSA-N 0 0 308.406 3.926 50 0 DHAARN O=C(NC1CCCCC1)N1CCN(c2ccccc2Cl)CC1 ZINC000001054592 563632866 /nfs/dbraw/zinc/63/28/66/563632866.db2.gz MZZSQPIRVIUDFP-UHFFFAOYSA-N 0 0 321.852 3.504 50 0 DHAARN O=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccccc1 ZINC000001082396 563632907 /nfs/dbraw/zinc/63/29/07/563632907.db2.gz XPLHQUUKWXTRHA-LCYFTJDESA-N 0 0 301.392 3.985 50 0 DHAARN CCn1nccc1CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000017784591 563633633 /nfs/dbraw/zinc/63/36/33/563633633.db2.gz RWQYPJQWVQFXQZ-KOCGSPDRSA-N 0 0 315.461 3.516 50 0 DHAARN O=C(NO[C@H]1CCCCO1)NC1(c2ccccc2)CCCCC1 ZINC000163288710 563635941 /nfs/dbraw/zinc/63/59/41/563635941.db2.gz VSLJETVZFWLKCM-INIZCTEOSA-N 0 0 318.417 3.603 50 0 DHAARN O=C(c1cnccn1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206878901 563639540 /nfs/dbraw/zinc/63/95/40/563639540.db2.gz ARQGCMIEWRUHSC-CQSZACIVSA-N 0 0 315.804 3.540 50 0 DHAARN O=C(CC(F)(F)F)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206874839 563639738 /nfs/dbraw/zinc/63/97/38/563639738.db2.gz IMCAUMOOQBNBCW-GFCCVEGCSA-N 0 0 303.299 3.874 50 0 DHAARN O=C(/C=C/c1ccco1)N1CCS[C@H](c2ccco2)CC1 ZINC000207004627 563643567 /nfs/dbraw/zinc/64/35/67/563643567.db2.gz NOSRZWKAXXUFAR-NFAHFFEMSA-N 0 0 303.383 3.593 50 0 DHAARN CCn1c2c(cc(F)cc2F)s/c1=N\C(=O)c1ccccc1 ZINC000100909152 563646446 /nfs/dbraw/zinc/64/64/46/563646446.db2.gz HIBQSZNVQFBWHA-MNDPQUGUSA-N 0 0 318.348 3.742 50 0 DHAARN Cc1ccccc1C(=O)/N=c1\sc2cc(F)cc(F)c2n1C ZINC000100909404 563646474 /nfs/dbraw/zinc/64/64/74/563646474.db2.gz GEECHDXKHWPLJT-MNDPQUGUSA-N 0 0 318.348 3.568 50 0 DHAARN FC(F)(F)c1ccc(N2CC(F)(F)C2)c(Br)c1 ZINC000169725674 563647741 /nfs/dbraw/zinc/64/77/41/563647741.db2.gz IUQVKIAGJBUJHR-UHFFFAOYSA-N 0 0 316.067 3.923 50 0 DHAARN FC(F)(F)c1c(Br)cccc1N1CCSC1 ZINC000169725660 563647769 /nfs/dbraw/zinc/64/77/69/563647769.db2.gz ZZVKSLFNMIWPRF-UHFFFAOYSA-N 0 0 312.154 3.979 50 0 DHAARN CCCCCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1 ZINC000011694270 563650963 /nfs/dbraw/zinc/65/09/63/563650963.db2.gz ZDIBMUBCRKSULT-UHFFFAOYSA-N 0 0 301.390 3.550 50 0 DHAARN CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1cc(C)cc(C)c1 ZINC000101348392 563655364 /nfs/dbraw/zinc/65/53/64/563655364.db2.gz RHXHSCUGGVRTNN-KRWDZBQOSA-N 0 0 306.365 3.525 50 0 DHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C)c(C)c1 ZINC000000507164 563657258 /nfs/dbraw/zinc/65/72/58/563657258.db2.gz BFKJLCFWWUTAIT-QGZVFWFLSA-N 0 0 313.353 3.602 50 0 DHAARN Cc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nnnn21 ZINC000102047425 563657583 /nfs/dbraw/zinc/65/75/83/563657583.db2.gz NBNVCBSRFIWXPU-INIZCTEOSA-N 0 0 323.787 3.691 50 0 DHAARN Cc1ccsc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000102679682 563661541 /nfs/dbraw/zinc/66/15/41/563661541.db2.gz IWCYADZXIHZNAE-CYBMUJFWSA-N 0 0 314.414 3.956 50 0 DHAARN CN(C)c1ccc([C@H]2OCC[C@]3(CCOC(C)(C)C3)O2)cc1 ZINC000000517746 563661550 /nfs/dbraw/zinc/66/15/50/563661550.db2.gz RNXCDKJGMRCTGF-FUHWJXTLSA-N 0 0 305.418 3.516 50 0 biogenic DHAARN Cc1[nH]c2c(ccc3cccnc23)c1[C@@H]1[C@H](CC(N)=O)C1(C)C ZINC000000519971 563662454 /nfs/dbraw/zinc/66/24/54/563662454.db2.gz UTXMYOXAUWPCNE-BBRMVZONSA-N 0 0 307.397 3.640 50 0 DHAARN c1coc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)c1 ZINC000000521233 563663996 /nfs/dbraw/zinc/66/39/96/563663996.db2.gz NQIRXYQGPKQLTR-UHFFFAOYSA-N 0 0 316.320 3.881 50 0 DHAARN O=C(Nc1ccccc1)c1cccc(OCc2cscn2)c1 ZINC000014020449 563665183 /nfs/dbraw/zinc/66/51/83/563665183.db2.gz AQDSNNBJVFODSX-UHFFFAOYSA-N 0 0 310.378 3.974 50 0 DHAARN COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1 ZINC000000531770 563666228 /nfs/dbraw/zinc/66/62/28/563666228.db2.gz RZHBFOVSZPPSGC-IRXDYDNUSA-N 0 0 324.359 3.572 50 0 DHAARN Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)cc1C ZINC000000549825 563669979 /nfs/dbraw/zinc/66/99/79/563669979.db2.gz CGWNLOYGHLGAPX-UHFFFAOYSA-N 0 0 320.392 3.565 50 0 DHAARN Cc1cccc(NC(=O)Cn2c(C)cc(=O)c3cccc(C)c32)c1 ZINC000000552275 563670017 /nfs/dbraw/zinc/67/00/17/563670017.db2.gz HJTDCWCLADCBGE-UHFFFAOYSA-N 0 0 320.392 3.565 50 0 DHAARN O=C(COC(=O)c1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000000555814 563670555 /nfs/dbraw/zinc/67/05/55/563670555.db2.gz GYHZEIUUDMLBLV-UHFFFAOYSA-N 0 0 323.323 3.774 50 0 DHAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000558869 563670920 /nfs/dbraw/zinc/67/09/20/563670920.db2.gz ZPGQNWANWNHINU-UHFFFAOYSA-N 0 0 311.410 3.856 50 0 DHAARN C[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)C1 ZINC000046729025 563673316 /nfs/dbraw/zinc/67/33/16/563673316.db2.gz MGJSJNCDMFQDSS-NSHDSACASA-N 0 0 303.793 3.602 50 0 DHAARN CCCNc1ccccc1NC(=O)c1ccnc2ccncc21 ZINC000190138009 563674884 /nfs/dbraw/zinc/67/48/84/563674884.db2.gz QBVGKCZOGJSROW-UHFFFAOYSA-N 0 0 306.369 3.704 50 0 DHAARN O=C(CSCCCc1ccccc1)NCc1ccc(F)cc1 ZINC000046806653 563677546 /nfs/dbraw/zinc/67/75/46/563677546.db2.gz WGGVCVXJJCDDRJ-UHFFFAOYSA-N 0 0 317.429 3.808 50 0 DHAARN Cc1c(C(=O)OCc2cccc(C)c2)nnn1-c1ccc(C)cc1 ZINC000046914059 563678319 /nfs/dbraw/zinc/67/83/19/563678319.db2.gz PWJGPIUZZJYFAW-UHFFFAOYSA-N 0 0 321.380 3.550 50 0 DHAARN CC(C)COc1ccc(NC(=O)C[C@H]2CCCO2)cc1Cl ZINC000047088304 563678507 /nfs/dbraw/zinc/67/85/07/563678507.db2.gz FWCKDYLTXPZKLM-CYBMUJFWSA-N 0 0 311.809 3.882 50 0 DHAARN CCOc1ccccc1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000047176977 563679015 /nfs/dbraw/zinc/67/90/15/563679015.db2.gz JSIPTNXJEQCVAH-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN CCC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 ZINC000047409148 563680376 /nfs/dbraw/zinc/68/03/76/563680376.db2.gz WCRPPHITOOGINZ-UHFFFAOYSA-N 0 0 311.385 3.665 50 0 DHAARN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(F)cc1 ZINC000012111630 563680986 /nfs/dbraw/zinc/68/09/86/563680986.db2.gz BZIXPQBJBGYBSO-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN O=C(c1ccc2ncsc2c1)N1CCc2sccc2C1 ZINC000012215415 563681750 /nfs/dbraw/zinc/68/17/50/563681750.db2.gz OSXQAGCNFNAUMU-UHFFFAOYSA-N 0 0 300.408 3.556 50 0 DHAARN O=C(Cc1cccs1)N1CCS[C@H](c2ccccc2)CC1 ZINC000211142541 563682862 /nfs/dbraw/zinc/68/28/62/563682862.db2.gz PAMUFTPVOFZTTN-INIZCTEOSA-N 0 0 317.479 3.997 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)NCCc1cccc2cccnc21 ZINC000044896608 563686118 /nfs/dbraw/zinc/68/61/18/563686118.db2.gz ZZMUPINLIXOTHN-UHFFFAOYSA-N 0 0 323.396 3.627 50 0 DHAARN O=C(Cc1ccccc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000044891274 563686177 /nfs/dbraw/zinc/68/61/77/563686177.db2.gz APPAMIBVISBHAY-QGZVFWFLSA-N 0 0 321.380 3.596 50 0 DHAARN O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H]1c1ccsc1 ZINC000044940739 563687128 /nfs/dbraw/zinc/68/71/28/563687128.db2.gz NYJBDVQJBDJCIH-MRXNPFEDSA-N 0 0 324.405 3.567 50 0 DHAARN COc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 ZINC000045336560 563688689 /nfs/dbraw/zinc/68/86/89/563688689.db2.gz JGJNEIOIBJGSFV-UHFFFAOYSA-N 0 0 320.436 3.881 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(F)c2)cc1OC ZINC000045384533 563689514 /nfs/dbraw/zinc/68/95/14/563689514.db2.gz JNOCOTXXZFPOCV-GFCCVEGCSA-N 0 0 317.360 3.642 50 0 DHAARN O=C(NCc1ccoc1)c1ccc(SC(F)(F)F)cc1 ZINC000045784100 563689969 /nfs/dbraw/zinc/68/99/69/563689969.db2.gz JWNHOCQZGFPYAX-UHFFFAOYSA-N 0 0 301.289 3.822 50 0 DHAARN CCCNC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000045740842 563690011 /nfs/dbraw/zinc/69/00/11/563690011.db2.gz MFBZLZGHCNQXKU-CJNGLKHVSA-N 0 0 317.433 3.527 50 0 DHAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)C2CCCCC2)c1 ZINC000045720525 563690126 /nfs/dbraw/zinc/69/01/26/563690126.db2.gz SGOLEGTXMKPGDP-CYBMUJFWSA-N 0 0 317.433 3.680 50 0 DHAARN COc1nc2ccccc2nc1C(=O)Nc1ccc(Cl)cc1 ZINC000045967062 563690975 /nfs/dbraw/zinc/69/09/75/563690975.db2.gz GTBZXTLWAGHICU-UHFFFAOYSA-N 0 0 313.744 3.544 50 0 DHAARN CC(C)n1c(=O)oc2cc(NC(=O)c3cccc(F)c3)ccc21 ZINC000046010329 563691194 /nfs/dbraw/zinc/69/11/94/563691194.db2.gz JLASMBZUWQPTTP-UHFFFAOYSA-N 0 0 314.316 3.567 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 ZINC000045957025 563691215 /nfs/dbraw/zinc/69/12/15/563691215.db2.gz RLXIAWGTESLYDP-CXAGYDPISA-N 0 0 318.417 3.606 50 0 DHAARN COC(=O)c1cccc(NC(=O)Nc2cccc(F)c2C)c1 ZINC000051354518 563691240 /nfs/dbraw/zinc/69/12/40/563691240.db2.gz ZRADNVFRZWRLLZ-UHFFFAOYSA-N 0 0 302.305 3.565 50 0 DHAARN Cc1cccc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)c1 ZINC000046018173 563691703 /nfs/dbraw/zinc/69/17/03/563691703.db2.gz MPRGDIFPQOREAI-GOSISDBHSA-N 0 0 315.438 3.662 50 0 DHAARN COc1ccccc1[C@H](C)N(C)Cc1noc(C(C)(C)C)n1 ZINC000047886003 563692471 /nfs/dbraw/zinc/69/24/71/563692471.db2.gz UFLZRBHSPSYGRB-LBPRGKRZSA-N 0 0 303.406 3.569 50 0 DHAARN O=C(Nc1cccc(-c2nnco2)c1)N1CC[C@@H]1c1ccccc1 ZINC000047836986 563692615 /nfs/dbraw/zinc/69/26/15/563692615.db2.gz BAKKRQKTZJLLEO-MRXNPFEDSA-N 0 0 320.352 3.716 50 0 DHAARN O=C(Nc1nc2c(s1)CCC2)c1ccc(-c2cnco2)cc1 ZINC000047828267 563692807 /nfs/dbraw/zinc/69/28/07/563692807.db2.gz DJIWXNSSOJWVID-UHFFFAOYSA-N 0 0 311.366 3.539 50 0 DHAARN O=C(C[C@H]1C=CCC1)NC1(c2ccc(Br)cc2)CC1 ZINC000048206616 563693301 /nfs/dbraw/zinc/69/33/01/563693301.db2.gz INNTUXQFWLGECR-LBPRGKRZSA-N 0 0 320.230 3.911 50 0 DHAARN CSc1nccn1-c1cccc(C(=O)Nc2ncccc2C)c1 ZINC000048227328 563694166 /nfs/dbraw/zinc/69/41/66/563694166.db2.gz HTYAXWCQLNIBMN-UHFFFAOYSA-N 0 0 324.409 3.550 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000048253523 563694943 /nfs/dbraw/zinc/69/49/43/563694943.db2.gz MDGKJQZJDHRKLJ-KBXCAEBGSA-N 0 0 308.381 3.724 50 0 DHAARN C[C@H](C(=O)N1CCCCCC1)N(C)Cc1cccc(Cl)c1 ZINC000048286877 563695037 /nfs/dbraw/zinc/69/50/37/563695037.db2.gz OIACCPHUOSNZKS-CQSZACIVSA-N 0 0 308.853 3.563 50 0 DHAARN C[C@H]1C[C@H]1c1ccc(CN(C)Cc2noc(C(C)(C)C)n2)o1 ZINC000048302901 563695750 /nfs/dbraw/zinc/69/57/50/563695750.db2.gz FVOMCYOBYSTLAV-WCQYABFASA-N 0 0 303.406 3.716 50 0 DHAARN Cc1cc(N2CCCC2)ccc1NC(=O)OCC(F)(F)F ZINC000048312866 563696453 /nfs/dbraw/zinc/69/64/53/563696453.db2.gz PPCLAIDHWHDWLU-UHFFFAOYSA-N 0 0 302.296 3.706 50 0 DHAARN C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 ZINC000048346822 563697047 /nfs/dbraw/zinc/69/70/47/563697047.db2.gz BTYKPCQVESKOKG-SWLSCSKDSA-N 0 0 311.385 3.995 50 0 DHAARN Cc1noc([C@H](NC(=O)c2cccc3ccccc32)C(C)C)n1 ZINC000112055588 563697862 /nfs/dbraw/zinc/69/78/62/563697862.db2.gz APZOIAUOJWHNBR-MRXNPFEDSA-N 0 0 309.369 3.658 50 0 DHAARN O=c1nc(-c2cccs2)[nH]c2sc3c(c21)CCSC3 ZINC000048412377 563698258 /nfs/dbraw/zinc/69/82/58/563698258.db2.gz HVCHXGUOGNKZRY-UHFFFAOYSA-N 0 0 306.437 3.502 50 0 DHAARN c1nn(-c2ccccc2)cc1-c1ccnc(NC2CCCC2)n1 ZINC000048435936 563698965 /nfs/dbraw/zinc/69/89/65/563698965.db2.gz BBGNXBRQJSLCIV-UHFFFAOYSA-N 0 0 305.385 3.684 50 0 DHAARN CC[C@H](NC(=O)Cc1sc(=S)[nH]c1C)c1cccs1 ZINC000048748565 563700029 /nfs/dbraw/zinc/70/00/29/563700029.db2.gz PPGXSYGAIBVPNY-VIFPVBQESA-N 0 0 312.485 3.612 50 0 DHAARN CSc1ccc(Cl)cc1NC(=O)NCc1ccncc1 ZINC000049359618 563700854 /nfs/dbraw/zinc/70/08/54/563700854.db2.gz IDBZVUVBUQUXSM-UHFFFAOYSA-N 0 0 307.806 3.779 50 0 DHAARN Cc1nn(C)c2c1[C@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000049544725 563701907 /nfs/dbraw/zinc/70/19/07/563701907.db2.gz XKLRJBIYIWSJPA-ZDUSSCGKSA-N 0 0 307.806 3.806 50 0 DHAARN Cn1ccc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc21 ZINC000049543491 563701918 /nfs/dbraw/zinc/70/19/18/563701918.db2.gz WWDAOJLIEJBDCC-UHFFFAOYSA-N 0 0 317.392 3.632 50 0 biogenic DHAARN Cc1nn(C)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000049544724 563701932 /nfs/dbraw/zinc/70/19/32/563701932.db2.gz XKLRJBIYIWSJPA-CYBMUJFWSA-N 0 0 307.806 3.806 50 0 DHAARN COCc1ccc(C(=O)NCC(C)(C)c2cccc(C)c2)cc1 ZINC000062929398 563702401 /nfs/dbraw/zinc/70/24/01/563702401.db2.gz SYXGZDCZBHLCBA-UHFFFAOYSA-N 0 0 311.425 3.849 50 0 DHAARN Cc1cccc(C)c1NC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000014898962 563702834 /nfs/dbraw/zinc/70/28/34/563702834.db2.gz BISPSFYCECKLDS-UHFFFAOYSA-N 0 0 305.381 3.670 50 0 DHAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2cc[nH]c2c1 ZINC000114231761 563702904 /nfs/dbraw/zinc/70/29/04/563702904.db2.gz QNTZZXMZLUZQSH-UHFFFAOYSA-N 0 0 320.801 3.931 50 0 DHAARN COC[C@H](c1ccccn1)N(C)Cc1cc(C)cc(C)c1OC ZINC000215202734 563704573 /nfs/dbraw/zinc/70/45/73/563704573.db2.gz UWUBYBQXZJZIHP-GOSISDBHSA-N 0 0 314.429 3.527 50 0 DHAARN CCN1CCSc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc21 ZINC000006802662 563704596 /nfs/dbraw/zinc/70/45/96/563704596.db2.gz VPEAGAJTFNPEMA-DZGCQCFKSA-N 0 0 318.486 3.927 50 0 DHAARN CSCCN(C)C(=O)c1cc(C)nc2cc(Cl)ccc21 ZINC000215574786 563706323 /nfs/dbraw/zinc/70/63/23/563706323.db2.gz JKDUNEXUEMLEOU-UHFFFAOYSA-N 0 0 308.834 3.632 50 0 DHAARN Cc1ccc([C@H](NC(=O)CCC(F)(F)F)c2ccncc2)cc1 ZINC000215724090 563706985 /nfs/dbraw/zinc/70/69/85/563706985.db2.gz CUPPXTGCVNWVMC-INIZCTEOSA-N 0 0 322.330 3.938 50 0 DHAARN Cc1ccccc1C1(NC(=O)c2cccc(-c3ncc[nH]3)c2)CC1 ZINC000215862568 563707284 /nfs/dbraw/zinc/70/72/84/563707284.db2.gz GIFFSVKIQHZOKQ-UHFFFAOYSA-N 0 0 317.392 3.804 50 0 DHAARN CC(C)c1nccc(CN(C)Cc2cc3cc(F)ccc3[nH]2)n1 ZINC000216118100 563707889 /nfs/dbraw/zinc/70/78/89/563707889.db2.gz YUXWZSKRPHYBGI-UHFFFAOYSA-N 0 0 312.392 3.852 50 0 DHAARN CCOc1ccc(CN2CCCC[C@H]2c2cc(C)on2)cn1 ZINC000216242526 563708236 /nfs/dbraw/zinc/70/82/36/563708236.db2.gz XWRHATSDLNCLKS-INIZCTEOSA-N 0 0 301.390 3.504 50 0 DHAARN CCN(Cc1cccnc1)Cc1cnc(C2CCCCC2)nc1 ZINC000216301655 563709189 /nfs/dbraw/zinc/70/91/89/563709189.db2.gz QTQLQJCIDOLJJO-UHFFFAOYSA-N 0 0 310.445 3.941 50 0 DHAARN CC[C@H](CO)NC(=O)c1cc2sc3ccccc3c2s1 ZINC000003183326 563716311 /nfs/dbraw/zinc/71/63/11/563716311.db2.gz NIGSYBCWPCYQOP-SECBINFHSA-N 0 0 305.424 3.617 50 0 DHAARN CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000218893622 563717685 /nfs/dbraw/zinc/71/76/85/563717685.db2.gz DBXQAPGFWYIOGN-QRFRQXIXSA-N 0 0 310.393 3.957 50 0 DHAARN COc1ccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000008237741 563719883 /nfs/dbraw/zinc/71/98/83/563719883.db2.gz YZCLNQQHXPTQPV-ZDUSSCGKSA-N 0 0 309.365 3.861 50 0 DHAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccsc1 ZINC000390832034 563720588 /nfs/dbraw/zinc/72/05/88/563720588.db2.gz WSQXPIKHLAMCNH-LBPRGKRZSA-N 0 0 319.407 3.533 50 0 DHAARN COc1ccc(C(=O)N[C@H](C)c2ccco2)cc1Br ZINC000008360425 563721881 /nfs/dbraw/zinc/72/18/81/563721881.db2.gz YAYHRCOYDZGVMU-SECBINFHSA-N 0 0 324.174 3.542 50 0 DHAARN CC[C@@H](NC(=O)CCCOc1ccccc1)c1cc(C)ccn1 ZINC000220023821 563722193 /nfs/dbraw/zinc/72/21/93/563722193.db2.gz FWCGXUMCMWAXGU-QGZVFWFLSA-N 0 0 312.413 3.817 50 0 DHAARN Cc1nc([C@@H](C)NC(=O)Cc2cc(C)ccc2C)c(C)s1 ZINC000221285730 563723487 /nfs/dbraw/zinc/72/34/87/563723487.db2.gz MQDZYYXNRBSIAK-GFCCVEGCSA-N 0 0 302.443 3.797 50 0 DHAARN COC(=O)c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000025052736 563725070 /nfs/dbraw/zinc/72/50/70/563725070.db2.gz XZOIDGDEHZMXER-UHFFFAOYSA-N 0 0 320.348 3.516 50 0 DHAARN O=C(NCc1ccc2c(c1)CCCO2)c1c(F)cccc1Cl ZINC000223233941 563732535 /nfs/dbraw/zinc/73/25/35/563732535.db2.gz FWUINZHYRFQISR-UHFFFAOYSA-N 0 0 319.763 3.734 50 0 DHAARN CCc1ccc([C@@H]2C[C@H](c3ccccc3F)n3nnnc3N2)cc1 ZINC000000222824 563742664 /nfs/dbraw/zinc/74/26/64/563742664.db2.gz NXGNDKJCZITQPP-DLBZAZTESA-N 0 0 323.375 3.521 50 0 DHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1OC1CCC1 ZINC000225398091 563754120 /nfs/dbraw/zinc/75/41/20/563754120.db2.gz LRFCPVZXNXSRGH-UHFFFAOYSA-N 0 0 307.353 3.747 50 0 DHAARN CC(C)COc1ncccc1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000225416894 563754664 /nfs/dbraw/zinc/75/46/64/563754664.db2.gz KWSWXLFKPUACNE-GOEBONIOSA-N 0 0 302.418 3.521 50 0 DHAARN CC(C)N(Cc1ccccc1)c1nnc(-c2ccccc2)n1C ZINC000225688586 563759434 /nfs/dbraw/zinc/75/94/34/563759434.db2.gz PWHJAYUIIGOULB-UHFFFAOYSA-N 0 0 306.413 3.897 50 0 DHAARN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc3ccccc3[nH]2)c1 ZINC000030274474 563761851 /nfs/dbraw/zinc/76/18/51/563761851.db2.gz ZRXOPJCAYVMCJH-LBPRGKRZSA-N 0 0 321.380 3.617 50 0 DHAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCCCCC1 ZINC000012391713 563769665 /nfs/dbraw/zinc/76/96/65/563769665.db2.gz HJTLWRQLRDYNAV-OAHLLOKOSA-N 0 0 306.793 3.823 50 0 DHAARN Cc1cccc(OCCCNC(=O)c2ccc(C)c(F)c2)c1 ZINC000012397864 563770404 /nfs/dbraw/zinc/77/04/04/563770404.db2.gz YIRUOHQLYIYNOH-UHFFFAOYSA-N 0 0 301.361 3.641 50 0 DHAARN Cn1ccnc1Sc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000058521665 563771035 /nfs/dbraw/zinc/77/10/35/563771035.db2.gz BLHXEUJHCMTZGM-CYBMUJFWSA-N 0 0 313.426 3.866 50 0 DHAARN C[C@H](c1nc(C2CC2)no1)N(C)Cc1nc2ccccc2s1 ZINC000051909728 563772957 /nfs/dbraw/zinc/77/29/57/563772957.db2.gz VOAGEDCRIPAVQE-SNVBAGLBSA-N 0 0 314.414 3.750 50 0 DHAARN O=C(Cc1cc(-c2ccc(Cl)cc2)on1)Nc1nccs1 ZINC000012422201 563774321 /nfs/dbraw/zinc/77/43/21/563774321.db2.gz HVCMYJIIQSPQAD-UHFFFAOYSA-N 0 0 319.773 3.633 50 0 DHAARN CCNC(=O)c1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1 ZINC000239782600 563776744 /nfs/dbraw/zinc/77/67/44/563776744.db2.gz CPNZFUXOZWKKHT-UHFFFAOYSA-N 0 0 322.408 3.956 50 0 DHAARN Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)n1 ZINC000240540907 563776818 /nfs/dbraw/zinc/77/68/18/563776818.db2.gz GQDXAEACBZKGCL-UKRRQHHQSA-N 0 0 308.372 3.879 50 0 DHAARN CCCOc1cccc(NC(=O)c2c[nH]c(=O)c3ccccc23)c1 ZINC000241368015 563777400 /nfs/dbraw/zinc/77/74/00/563777400.db2.gz MJIRWXNDRSLXSE-UHFFFAOYSA-N 0 0 322.364 3.982 50 0 DHAARN CCc1ccc(CNC(=O)c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000241466069 563777480 /nfs/dbraw/zinc/77/74/80/563777480.db2.gz NUMIXLSSGNAALL-UHFFFAOYSA-N 0 0 322.408 3.528 50 0 DHAARN O=C(CN(Cc1ccccn1)C1CCCCC1)Nc1ccccc1 ZINC000244763837 563778790 /nfs/dbraw/zinc/77/87/90/563778790.db2.gz OWHOXTYMYOHDRR-UHFFFAOYSA-N 0 0 323.440 3.855 50 0 DHAARN Cc1ccc(CN(C)Cc2cncn2Cc2ccccc2)s1 ZINC000244626661 563779068 /nfs/dbraw/zinc/77/90/68/563779068.db2.gz FQCBPUHRTMQQHS-UHFFFAOYSA-N 0 0 311.454 3.933 50 0 DHAARN Clc1cccc([C@@H]2CCN(Cc3nccn3C3CC3)C2)c1 ZINC000244734836 563779335 /nfs/dbraw/zinc/77/93/35/563779335.db2.gz NMRKSVVUPURBLD-CQSZACIVSA-N 0 0 301.821 3.861 50 0 DHAARN Cn1nc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 ZINC000248018131 563782837 /nfs/dbraw/zinc/78/28/37/563782837.db2.gz DQXJEGJBTVXHGJ-UHFFFAOYSA-N 0 0 322.456 3.541 50 0 DHAARN C[C@@]12CC[C@@H]3[C@H](CC[C@]4(C)CC(=O)CC[C@]34C)[C@@]1(O)CCC2=O ZINC000253617188 563785205 /nfs/dbraw/zinc/78/52/05/563785205.db2.gz BFCOSNMGHLCEIQ-WOHUTOPTSA-N 0 0 318.457 3.672 50 0 DHAARN COCCCCCSc1nccn1-c1ccc(OC)cc1 ZINC000078747936 563785301 /nfs/dbraw/zinc/78/53/01/563785301.db2.gz HLLPKGOXFARJCQ-UHFFFAOYSA-N 0 0 306.431 3.790 50 0 DHAARN CC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 ZINC000000975673 563785785 /nfs/dbraw/zinc/78/57/85/563785785.db2.gz JKNGJPOXCLSGIL-UHFFFAOYSA-N 0 0 318.376 3.719 50 0 DHAARN COc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H](C)C3)o2)cc1 ZINC000025424615 563788077 /nfs/dbraw/zinc/78/80/77/563788077.db2.gz KNYRMWUXLFGZMI-CHWSQXEVSA-N 0 0 301.390 3.538 50 0 DHAARN CC(C)CN(CC(C)C)C(=O)CSc1nc2ccccc2[nH]1 ZINC000001101809 563788158 /nfs/dbraw/zinc/78/81/58/563788158.db2.gz WAHJFTISGHBESO-UHFFFAOYSA-N 0 0 319.474 3.796 50 0 DHAARN Cn1ccs/c1=N\C(=S)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000001104271 563789201 /nfs/dbraw/zinc/78/92/01/563789201.db2.gz RRMXBPATGWUQPV-SAEXGPCSSA-N 0 0 321.298 3.906 50 0 DHAARN CCCNc1ccc(Cl)cc1NC(=O)Cc1cccnc1 ZINC000182449738 563793725 /nfs/dbraw/zinc/79/37/25/563793725.db2.gz ONQXEPIGZDOKMA-UHFFFAOYSA-N 0 0 303.793 3.738 50 0 DHAARN Nc1cc(Br)c(C(F)(F)F)cc1Br ZINC000263623430 563794736 /nfs/dbraw/zinc/79/47/36/563794736.db2.gz HKLXTNAFPBNHFY-UHFFFAOYSA-N 0 0 318.918 3.813 50 0 DHAARN CC(C)(C)OC(=O)N1CCc2cc(Br)sc2C1 ZINC000034925776 563795482 /nfs/dbraw/zinc/79/54/82/563795482.db2.gz HKIKRUZACUCNBF-UHFFFAOYSA-N 0 0 318.236 3.804 50 0 DHAARN CCCCc1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000012520504 563797316 /nfs/dbraw/zinc/79/73/16/563797316.db2.gz HNAAZVVGNOZZQD-UHFFFAOYSA-N 0 0 313.445 3.828 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000012520508 563797837 /nfs/dbraw/zinc/79/78/37/563797837.db2.gz DJGDOPNPUDPKAZ-UHFFFAOYSA-N 0 0 313.788 3.891 50 0 DHAARN CCn1c2ccccc2c2cc(NC(=O)c3cnn(C)c3)ccc21 ZINC000012532797 563798087 /nfs/dbraw/zinc/79/80/87/563798087.db2.gz CGYMFFUPUKEKNR-UHFFFAOYSA-N 0 0 318.380 3.800 50 0 DHAARN COCCN1C(=O)c2ccccc2N[C@H]1c1cc(C)c(C)cc1C ZINC000012527962 563798225 /nfs/dbraw/zinc/79/82/25/563798225.db2.gz BWMWWUSZKYMTMS-LJQANCHMSA-N 0 0 324.424 3.825 50 0 DHAARN O=C(Nc1ccncc1)c1cc2cc(Br)ccc2[nH]1 ZINC000012527853 563798449 /nfs/dbraw/zinc/79/84/49/563798449.db2.gz QVWPQMWJRDWNIV-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN Oc1ccccc1N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000012537790 563799081 /nfs/dbraw/zinc/79/90/81/563799081.db2.gz NTAIKKDEVSFHOE-UHFFFAOYSA-N 0 0 320.795 3.507 50 0 DHAARN COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 ZINC000012542305 563799491 /nfs/dbraw/zinc/79/94/91/563799491.db2.gz DFHUNVOUFLBNJZ-UHFFFAOYSA-N 0 0 309.369 3.533 50 0 DHAARN C[C@H](Sc1ncc2ccccn21)C(=O)NC1CCCCCC1 ZINC000012547280 563800266 /nfs/dbraw/zinc/80/02/66/563800266.db2.gz VBSLGLOSBUNVKB-ZDUSSCGKSA-N 0 0 317.458 3.654 50 0 DHAARN O=C1CC2(CCCCC2)C(=O)N1Cc1cc(-c2ccccc2)on1 ZINC000012569663 563801901 /nfs/dbraw/zinc/80/19/01/563801901.db2.gz IUJGBSAQRUSBEY-UHFFFAOYSA-N 0 0 324.380 3.551 50 0 DHAARN Cc1ccc(CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1 ZINC000012566463 563801918 /nfs/dbraw/zinc/80/19/18/563801918.db2.gz DAEUJMGTCAQYKE-UHFFFAOYSA-N 0 0 311.410 3.536 50 0 DHAARN Cc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000012604074 563802724 /nfs/dbraw/zinc/80/27/24/563802724.db2.gz LHXNPZMYVALJRD-AWEZNQCLSA-N 0 0 305.381 3.876 50 0 DHAARN Cc1cnc(NC(=O)c2cc3ccc(F)cc3nc2C)s1 ZINC000012599494 563802988 /nfs/dbraw/zinc/80/29/88/563802988.db2.gz RRLHQZTWHUMUCP-UHFFFAOYSA-N 0 0 301.346 3.700 50 0 DHAARN Cc1cc(F)ccc1NC(=O)N(CC1CCC1)C[C@H]1CCCO1 ZINC000299755777 563804396 /nfs/dbraw/zinc/80/43/96/563804396.db2.gz CSWQENLDTUVPJS-MRXNPFEDSA-N 0 0 320.408 3.947 50 0 DHAARN COc1cccc([C@H]2CCCCN2Cc2nnc(C)s2)c1 ZINC000299761777 563804921 /nfs/dbraw/zinc/80/49/21/563804921.db2.gz AFYXRSVXKSLGMI-OAHLLOKOSA-N 0 0 303.431 3.582 50 0 DHAARN Cc1nnc(CNC(=O)Nc2ccc(C3CCCCC3)cc2)o1 ZINC000299759098 563805153 /nfs/dbraw/zinc/80/51/53/563805153.db2.gz NMLLYWABIYECJW-UHFFFAOYSA-N 0 0 314.389 3.747 50 0 DHAARN Cc1ccc2c(cccc2NC(=O)NCCSC(C)C)n1 ZINC000299763107 563805163 /nfs/dbraw/zinc/80/51/63/563805163.db2.gz ZLTITHGOAPAUGR-UHFFFAOYSA-N 0 0 303.431 3.806 50 0 DHAARN CCC[C@@H](C(=O)N(C)Cc1cc(C(C)C)no1)n1cccc1 ZINC000299785717 563806299 /nfs/dbraw/zinc/80/62/99/563806299.db2.gz LKGHVTSHLBPXNR-INIZCTEOSA-N 0 0 303.406 3.599 50 0 DHAARN CCn1ccc2cc(C(=O)N(C)CCC[C@@H]3CCCO3)ccc21 ZINC000299797932 563806338 /nfs/dbraw/zinc/80/63/38/563806338.db2.gz PVCOULFHORBOLB-QGZVFWFLSA-N 0 0 314.429 3.692 50 0 DHAARN Cc1nc(-c2cccc(C(=O)N3CCSCC3)c2)sc1C ZINC000299794499 563806368 /nfs/dbraw/zinc/80/63/68/563806368.db2.gz KYIWKGLNLPNCKH-UHFFFAOYSA-N 0 0 318.467 3.616 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1Cn1cccn1 ZINC000299799630 563806385 /nfs/dbraw/zinc/80/63/85/563806385.db2.gz UYKMGDIFIHZXCU-AWEZNQCLSA-N 0 0 318.808 3.541 50 0 DHAARN Cn1nc(-c2ccccc2)cc1NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000299801812 563806980 /nfs/dbraw/zinc/80/69/80/563806980.db2.gz ZHDNIDRIMVVCFR-IYBDPMFKSA-N 0 0 322.412 3.517 50 0 DHAARN COc1ccc(Cl)cc1NCC(=O)Nc1cc(F)ccc1C ZINC000012621071 563807562 /nfs/dbraw/zinc/80/75/62/563807562.db2.gz NYRZXQCICYMCDD-UHFFFAOYSA-N 0 0 322.767 3.847 50 0 DHAARN CCOc1ccc(CNC(C)(C)c2noc(C(C)(C)C)n2)cc1 ZINC000078555845 563808345 /nfs/dbraw/zinc/80/83/45/563808345.db2.gz IRRCZBGILRPTBW-UHFFFAOYSA-N 0 0 317.433 3.791 50 0 DHAARN CCc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000012640881 563808387 /nfs/dbraw/zinc/80/83/87/563808387.db2.gz KXZCVQJKLPHMFF-NSHDSACASA-N 0 0 303.793 3.737 50 0 DHAARN O=C(Nc1ncccc1O)c1sc2ccccc2c1Cl ZINC000012645001 563808677 /nfs/dbraw/zinc/80/86/77/563808677.db2.gz CTWXACCFBYALRO-UHFFFAOYSA-N 0 0 304.758 3.908 50 0 DHAARN COc1cccc(C[S@@](=O)Cc2ccccc2OC(C)C)c1 ZINC000078556253 563808738 /nfs/dbraw/zinc/80/87/38/563808738.db2.gz LSRSXCNVUUGEDL-QFIPXVFZSA-N 0 0 318.438 3.931 50 0 DHAARN O=C(Nc1cccc(N2CCCCC2=O)c1)Oc1ccccc1 ZINC000005441719 563809060 /nfs/dbraw/zinc/80/90/60/563809060.db2.gz KSPZGIOTWBWTSB-UHFFFAOYSA-N 0 0 310.353 3.814 50 0 DHAARN COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1Cl ZINC000012681402 563809880 /nfs/dbraw/zinc/80/98/80/563809880.db2.gz IFTJUOWBPAEPAB-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN Cn1cccc1-c1nc2cc(NC(=O)c3cccs3)ccc2[nH]1 ZINC000001298011 563810615 /nfs/dbraw/zinc/81/06/15/563810615.db2.gz MNTDPIJLJLAUGC-UHFFFAOYSA-N 0 0 322.393 3.882 50 0 DHAARN O=C(COc1ccccc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032106615 563811453 /nfs/dbraw/zinc/81/14/53/563811453.db2.gz FAOGKDRFNTUGFF-UHFFFAOYSA-N 0 0 320.392 3.738 50 0 DHAARN O=C(Cc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032103505 563811489 /nfs/dbraw/zinc/81/14/89/563811489.db2.gz FVFUHMGUPJCEJQ-UHFFFAOYSA-N 0 0 304.393 3.902 50 0 DHAARN O=C(NCc1cc(-c2ccccc2)no1)c1ccc2c(c1)CCC2 ZINC000052990030 563812126 /nfs/dbraw/zinc/81/21/26/563812126.db2.gz OVMZSBSUOQYVAS-UHFFFAOYSA-N 0 0 318.376 3.760 50 0 DHAARN CCc1noc(CN2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1 ZINC000083830516 563812862 /nfs/dbraw/zinc/81/28/62/563812862.db2.gz KBIPKHOHFIQBAT-GFCCVEGCSA-N 0 0 320.462 3.592 50 0 DHAARN CN(Cc1cccc(O)c1)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000083864150 563813581 /nfs/dbraw/zinc/81/35/81/563813581.db2.gz MJKBRNRIXKNHEE-ZIAGYGMSSA-N 0 0 315.335 3.719 50 0 DHAARN CC(C)Oc1cccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000294295348 563814674 /nfs/dbraw/zinc/81/46/74/563814674.db2.gz VXUPYJUAUQPCQP-NJAFHUGGSA-N 0 0 317.429 3.692 50 0 DHAARN Cc1ccc(CSc2nc3ccccc3c3nc(O)cn32)cc1 ZINC000001389975 563815908 /nfs/dbraw/zinc/81/59/08/563815908.db2.gz BGCMRVYUUBZKTN-UHFFFAOYSA-N 0 0 321.405 3.518 50 0 DHAARN Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ccccc12 ZINC000001391352 563816944 /nfs/dbraw/zinc/81/69/44/563816944.db2.gz WTLABWYZVQUZGJ-UHFFFAOYSA-N 0 0 320.270 3.593 50 0 DHAARN Cn1nc(OC(=O)Nc2ccc(Cl)cc2)cc1C(F)(F)F ZINC000001393834 563817284 /nfs/dbraw/zinc/81/72/84/563817284.db2.gz QXILJPYWVLEEMJ-UHFFFAOYSA-N 0 0 319.670 3.703 50 0 DHAARN O=C(Nc1ccccc1C(=O)Nc1cccc(F)c1)c1ccco1 ZINC000012739537 563818661 /nfs/dbraw/zinc/81/86/61/563818661.db2.gz CYFBOOCJWSSLGZ-UHFFFAOYSA-N 0 0 324.311 3.923 50 0 DHAARN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1C ZINC000012744291 563820629 /nfs/dbraw/zinc/82/06/29/563820629.db2.gz CMLGGHADVVJTDO-GOSISDBHSA-N 0 0 310.397 3.516 50 0 DHAARN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000084064561 563821084 /nfs/dbraw/zinc/82/10/84/563821084.db2.gz IEXIFYPUSBLDGP-LLVKDONJSA-N 0 0 312.504 3.710 50 0 DHAARN Cc1[nH]c2c(ccc3cccnc23)c1[C@H]1[C@@H](CC(N)=O)C1(C)C ZINC000001418656 563821293 /nfs/dbraw/zinc/82/12/93/563821293.db2.gz UTXMYOXAUWPCNE-CZUORRHYSA-N 0 0 307.397 3.640 50 0 DHAARN Cc1nc2ccc(NC(=O)c3cc(C)nc4onc(C)c43)cc2o1 ZINC000084083217 563821717 /nfs/dbraw/zinc/82/17/17/563821717.db2.gz LBVVSJKZKAYYSX-UHFFFAOYSA-N 0 0 322.324 3.542 50 0 DHAARN Clc1ccc(Cn2nnc(-c3cccs3)n2)c(Cl)c1 ZINC000001428998 563823840 /nfs/dbraw/zinc/82/38/40/563823840.db2.gz VDDSJDFXNVRDHX-UHFFFAOYSA-N 0 0 311.197 3.757 50 0 DHAARN COc1ccccc1C(=O)Nc1ccc(-c2noc(C)n2)cc1C ZINC000001428889 563823843 /nfs/dbraw/zinc/82/38/43/563823843.db2.gz LUBDMHIAMMBGIC-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012759811 563824744 /nfs/dbraw/zinc/82/47/44/563824744.db2.gz QOLKNBLAOTWCRF-HNNXBMFYSA-N 0 0 313.328 3.532 50 0 DHAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(C)c3)ccc2o1 ZINC000012753333 563824948 /nfs/dbraw/zinc/82/49/48/563824948.db2.gz SADFVDVBDHXCQN-GFCCVEGCSA-N 0 0 309.369 3.884 50 0 DHAARN COC[C@@H](NC(=O)N[C@@H](C)c1cc(C)oc1C)c1ccc(C)o1 ZINC000084195176 563825079 /nfs/dbraw/zinc/82/50/79/563825079.db2.gz UQJLSKRVHKUNGC-SWLSCSKDSA-N 0 0 320.389 3.546 50 0 DHAARN CC(=O)Nc1ccc(Sc2ncnc3sccc32)cc1 ZINC000012753971 563825129 /nfs/dbraw/zinc/82/51/29/563825129.db2.gz MQXHFRWBAYUVQW-UHFFFAOYSA-N 0 0 301.396 3.801 50 0 DHAARN COc1cc(C)c(NC(=O)C2(c3ccccc3)CC2)cc1OC ZINC000012760623 563825631 /nfs/dbraw/zinc/82/56/31/563825631.db2.gz ZTDIQWQAXVLFFD-UHFFFAOYSA-N 0 0 311.381 3.683 50 0 DHAARN Cc1csc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1 ZINC000084271307 563825784 /nfs/dbraw/zinc/82/57/84/563825784.db2.gz QBBXCMPHSTUDGA-AWEZNQCLSA-N 0 0 318.467 3.907 50 0 DHAARN O=C(c1cnn(-c2ccccc2)c1)N(CC1CC1)c1ccccc1 ZINC000084243198 563825866 /nfs/dbraw/zinc/82/58/66/563825866.db2.gz FQTYQHFLVCMYPN-UHFFFAOYSA-N 0 0 317.392 3.929 50 0 DHAARN CC(=O)c1cc(CCC(=O)Nc2cnc3ccccc3c2)oc1C ZINC000012774199 563828870 /nfs/dbraw/zinc/82/88/70/563828870.db2.gz UJSMWUDXDFWAHD-UHFFFAOYSA-N 0 0 322.364 3.910 50 0 DHAARN COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccccc1F ZINC000012780192 563829667 /nfs/dbraw/zinc/82/96/67/563829667.db2.gz NJMUBMDKOFYIPT-JTQLQIEISA-N 0 0 307.752 3.979 50 0 DHAARN C[C@H]1CC(CCS(=O)(=O)Cc2cscn2)C[C@H](C)C1 ZINC000084686182 563829749 /nfs/dbraw/zinc/82/97/49/563829749.db2.gz ZFDOPULXCLJELU-VXGBXAGGSA-N 0 0 301.477 3.520 50 0 DHAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000012778390 563830020 /nfs/dbraw/zinc/83/00/20/563830020.db2.gz YIWRFNOYGBFTJC-OAHLLOKOSA-N 0 0 321.829 3.866 50 0 DHAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000012781231 563830539 /nfs/dbraw/zinc/83/05/39/563830539.db2.gz XLFCNYSCZWNILL-UHFFFAOYSA-N 0 0 311.316 3.800 50 0 DHAARN CCN(CC)C(=O)N[C@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000084770945 563830618 /nfs/dbraw/zinc/83/06/18/563830618.db2.gz ZEMVHLYFSWUICA-OAHLLOKOSA-N 0 0 314.433 3.602 50 0 DHAARN COC(=O)Cc1ccc(OCc2cccc3cccnc32)cc1 ZINC000012786351 563831203 /nfs/dbraw/zinc/83/12/03/563831203.db2.gz AYZJQCSLWAQZBX-UHFFFAOYSA-N 0 0 307.349 3.529 50 0 DHAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccn1 ZINC000012787145 563831214 /nfs/dbraw/zinc/83/12/14/563831214.db2.gz YKNFRWQGNGSTGS-GFCCVEGCSA-N 0 0 304.802 3.702 50 0 DHAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000084796814 563831576 /nfs/dbraw/zinc/83/15/76/563831576.db2.gz JOTVWNDYCVQIAW-NEPJUHHUSA-N 0 0 318.760 3.634 50 0 DHAARN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CC2(O)CCCC2)o1 ZINC000074194643 563831960 /nfs/dbraw/zinc/83/19/60/563831960.db2.gz VJCRHAZHDMMQTH-GOEBONIOSA-N 0 0 319.445 3.837 50 0 DHAARN COc1ccccc1[S@](=O)Cc1ncc(-c2cccs2)o1 ZINC000085233464 563834717 /nfs/dbraw/zinc/83/47/17/563834717.db2.gz DAOJNMRMGWBBHM-NRFANRHFSA-N 0 0 319.407 3.720 50 0 DHAARN COc1ccc(SCC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000012810950 563836180 /nfs/dbraw/zinc/83/61/80/563836180.db2.gz VZGKFOMMLYGSOV-UHFFFAOYSA-N 0 0 315.394 3.629 50 0 DHAARN C[C@@H]1C[C@@H](C)C[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)C1 ZINC000085432445 563836554 /nfs/dbraw/zinc/83/65/54/563836554.db2.gz ZKVWTHGVYYKKBU-UVWXRNBGSA-N 0 0 320.820 3.925 50 0 DHAARN O=C(c1ccsc1)N1CCC(CSc2ccccn2)CC1 ZINC000085557601 563839317 /nfs/dbraw/zinc/83/93/17/563839317.db2.gz XGDWGWXWIOPPQB-UHFFFAOYSA-N 0 0 318.467 3.788 50 0 DHAARN COc1ccc(/C=C2/CCCN=C2c2cccnc2)c(OC)c1 ZINC000033953843 563840092 /nfs/dbraw/zinc/84/00/92/563840092.db2.gz RPYWXZCFYPVCNQ-PTNGSMBKSA-N 0 0 308.381 3.765 50 0 investigational DHAARN O=C(Nc1nnc(C2CC2)s1)c1cc2ccccc2cc1O ZINC000012822863 563841363 /nfs/dbraw/zinc/84/13/63/563841363.db2.gz VCQHKJTUKDOZEM-UHFFFAOYSA-N 0 0 311.366 3.527 50 0 DHAARN Cc1ccc(C)c(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)c1 ZINC000101248231 563843225 /nfs/dbraw/zinc/84/32/25/563843225.db2.gz FMMMGTNUTFPOPO-RDJZCZTQSA-N 0 0 307.393 3.987 50 0 DHAARN COc1cccc(-c2nc(-c3cc(C)no3)cs2)c1OC ZINC000185920894 563843832 /nfs/dbraw/zinc/84/38/32/563843832.db2.gz BSECTDOHVVRDTR-UHFFFAOYSA-N 0 0 302.355 3.791 50 0 DHAARN CC(C)Oc1cccnc1C(=O)OCc1ncc(C(C)(C)C)o1 ZINC000085989715 563844153 /nfs/dbraw/zinc/84/41/53/563844153.db2.gz RYVBMPOHRKPHLF-UHFFFAOYSA-N 0 0 318.373 3.511 50 0 DHAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@]12C(=O)CC[C@@H]1C2(C)C ZINC000043762266 563848148 /nfs/dbraw/zinc/84/81/48/563848148.db2.gz UYJUVLYJGWENSM-ZXOCMBNGSA-N 0 0 306.446 3.996 50 0 DHAARN O=C(c1ccncc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000012888075 563852474 /nfs/dbraw/zinc/85/24/74/563852474.db2.gz GJRZYJOCUASJKF-GOSISDBHSA-N 0 0 320.417 3.931 50 0 DHAARN O=C(COc1cccc(Cl)c1)N[C@@H]1CCc2ccccc21 ZINC000012886981 563852674 /nfs/dbraw/zinc/85/26/74/563852674.db2.gz BOKPZRAKLGTYIY-MRXNPFEDSA-N 0 0 301.773 3.523 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)NCCc1cccc2cccnc21 ZINC000012902031 563853282 /nfs/dbraw/zinc/85/32/82/563853282.db2.gz PMJNEUOLOJVGTR-UHFFFAOYSA-N 0 0 324.811 3.790 50 0 DHAARN O=c1c2cc(OCc3ccccc3)ccc2nc2n1CCCCC2 ZINC000012899784 563853315 /nfs/dbraw/zinc/85/33/15/563853315.db2.gz HSXYUVFHQUVSMT-UHFFFAOYSA-N 0 0 320.392 3.702 50 0 biogenic DHAARN Cc1ccc(CNC(=O)Cc2coc3c2ccc(C)c3C)n1C ZINC000012908611 563853443 /nfs/dbraw/zinc/85/34/43/563853443.db2.gz VKGMDFBUZRECFL-UHFFFAOYSA-N 0 0 310.397 3.555 50 0 DHAARN CCONC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000012914927 563853734 /nfs/dbraw/zinc/85/37/34/563853734.db2.gz XGZGMINIQMTXGK-UHFFFAOYSA-N 0 0 315.156 3.638 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)N1CCc2sccc2C1 ZINC000012929181 563855093 /nfs/dbraw/zinc/85/50/93/563855093.db2.gz UJFSAJDNJHEGBH-UHFFFAOYSA-N 0 0 321.829 3.674 50 0 DHAARN CCOc1cc2c(cc1NC(=O)Cc1cccs1)O[C@H](C)C2 ZINC000012932070 563855265 /nfs/dbraw/zinc/85/52/65/563855265.db2.gz CVAUCCBCWRXBHF-LLVKDONJSA-N 0 0 317.410 3.651 50 0 DHAARN CC(C)Cn1nccc1NC(=O)COc1cccc2ccccc21 ZINC000012931932 563855600 /nfs/dbraw/zinc/85/56/00/563855600.db2.gz KWVHEAZTQYMEQF-UHFFFAOYSA-N 0 0 323.396 3.710 50 0 DHAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(F)cc1 ZINC000012932326 563856054 /nfs/dbraw/zinc/85/60/54/563856054.db2.gz CTBPLHSRZDLEPP-UHFFFAOYSA-N 0 0 319.405 3.520 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000012933133 563856606 /nfs/dbraw/zinc/85/66/06/563856606.db2.gz OOVSRCPGHGCJAM-KRWDZBQOSA-N 0 0 301.411 3.521 50 0 DHAARN CCc1ccc2nc(NC3=NC(C)(C)C=C(C)N3)nc(C)c2c1 ZINC000575443920 563858233 /nfs/dbraw/zinc/85/82/33/563858233.db2.gz XBLWKABGHJJXAJ-UHFFFAOYSA-N 0 0 309.417 3.554 50 0 DHAARN COc1ccccc1CC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000075106203 563859722 /nfs/dbraw/zinc/85/97/22/563859722.db2.gz ZBHHIDPRHDHECT-UHFFFAOYSA-N 0 0 319.351 3.567 50 0 DHAARN CCCOc1cccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)c1 ZINC000075104493 563859856 /nfs/dbraw/zinc/85/98/56/563859856.db2.gz YZIXVMBPKBUQIP-SJLPKXTDSA-N 0 0 319.445 3.656 50 0 DHAARN CO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(Cl)s2)c1 ZINC000121623513 563859960 /nfs/dbraw/zinc/85/99/60/563859960.db2.gz YJCDPFWIDXVFTF-JTQLQIEISA-N 0 0 324.833 3.987 50 0 DHAARN O=C(N[C@@H]1COc2ccccc21)c1occc1-c1ccccc1 ZINC000075126221 563860234 /nfs/dbraw/zinc/86/02/34/563860234.db2.gz NCNNROCSMLKDTC-MRXNPFEDSA-N 0 0 305.333 3.810 50 0 DHAARN Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000075127267 563860457 /nfs/dbraw/zinc/86/04/57/563860457.db2.gz HIXMTXGPSDODCD-AWEZNQCLSA-N 0 0 308.303 3.766 50 0 DHAARN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCOCC1 ZINC000075145159 563860713 /nfs/dbraw/zinc/86/07/13/563860713.db2.gz OHAFCBQTFBTSRK-HNNXBMFYSA-N 0 0 301.430 3.803 50 0 DHAARN CC(=O)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000075141594 563860862 /nfs/dbraw/zinc/86/08/62/563860862.db2.gz RODJHWCSQJLPHX-AWEZNQCLSA-N 0 0 323.318 3.779 50 0 DHAARN COc1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 ZINC000075142857 563860983 /nfs/dbraw/zinc/86/09/83/563860983.db2.gz KCWPLTOXVJSTAU-UHFFFAOYSA-N 0 0 319.430 3.825 50 0 DHAARN Cc1cccc(Nc2nc3nonc3nc2NC2CCCCC2)c1 ZINC000075285967 563862673 /nfs/dbraw/zinc/86/26/73/563862673.db2.gz QXLZATJNIMPSTQ-UHFFFAOYSA-N 0 0 324.388 3.809 50 0 DHAARN COc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cn1 ZINC000129907648 563863664 /nfs/dbraw/zinc/86/36/64/563863664.db2.gz AFVXCYFMCDYORH-ZDUSSCGKSA-N 0 0 324.384 3.930 50 0 DHAARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)NC1CC1 ZINC000075330315 563863681 /nfs/dbraw/zinc/86/36/81/563863681.db2.gz ABUYIVJVBITNPW-UHFFFAOYSA-N 0 0 316.426 3.540 50 0 DHAARN CCC(=O)N1CCc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc21 ZINC000075351644 563864350 /nfs/dbraw/zinc/86/43/50/563864350.db2.gz WMPZBXAVOFGGFV-UHFFFAOYSA-N 0 0 322.408 3.855 50 0 DHAARN Cc1ccc(C)c(C(=O)NCC[C@H](CCO)c2cccs2)c1 ZINC000575603418 563864835 /nfs/dbraw/zinc/86/48/35/563864835.db2.gz GAYYOGNIFKVPIO-OAHLLOKOSA-N 0 0 317.454 3.651 50 0 DHAARN O=C(CSC1CCCC1)NCc1cncc(-c2ccco2)c1 ZINC000575608822 563865341 /nfs/dbraw/zinc/86/53/41/563865341.db2.gz PHJJMGZQEPFQPF-UHFFFAOYSA-N 0 0 316.426 3.634 50 0 DHAARN Cc1ccc([C@H]2CC(c3ccc(F)c(F)c3)=Nc3ncnn32)cc1 ZINC000000406585 563865594 /nfs/dbraw/zinc/86/55/94/563865594.db2.gz JGDHONUXAYBCFH-QGZVFWFLSA-N 0 0 324.334 3.921 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)n1cnc2ccccc21 ZINC000000401891 563865779 /nfs/dbraw/zinc/86/57/79/563865779.db2.gz LNLOGHODMXDBTJ-UHFFFAOYSA-N 0 0 301.733 3.779 50 0 DHAARN Cc1nc2c(c(NC(=O)C3CCCCC3)nn2C)c(C)c1Cl ZINC000035326775 563866058 /nfs/dbraw/zinc/86/60/58/563866058.db2.gz HJWBFKMATHFKPL-UHFFFAOYSA-N 0 0 320.824 3.757 50 0 DHAARN COc1ccc(COC(=O)Nc2ccc(C)cc2)cc1OC ZINC000001702191 563866360 /nfs/dbraw/zinc/86/63/60/563866360.db2.gz JOCGUFIYPNWBCR-UHFFFAOYSA-N 0 0 301.342 3.761 50 0 DHAARN Cc1ccc(NC(=O)CN2c3ccccc3C(C)(C)C2=O)cc1C ZINC000035398841 563866882 /nfs/dbraw/zinc/86/68/82/563866882.db2.gz SZTFSMSXVSCDNO-UHFFFAOYSA-N 0 0 322.408 3.566 50 0 DHAARN CC(C)CCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000007997180 563867138 /nfs/dbraw/zinc/86/71/38/563867138.db2.gz PNBPPUXTWOQUJH-JTQLQIEISA-N 0 0 315.439 3.794 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)Cc2csc3ccccc23)no1 ZINC000575618756 563867641 /nfs/dbraw/zinc/86/76/41/563867641.db2.gz CDVHNPGTHRPSTC-SNVBAGLBSA-N 0 0 300.383 3.559 50 0 DHAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1cccc(F)c1 ZINC000035476366 563867826 /nfs/dbraw/zinc/86/78/26/563867826.db2.gz LJANKTVOVJNYER-OAHLLOKOSA-N 0 0 313.328 3.532 50 0 DHAARN COc1ccccc1-c1noc(C[C@H]2CCOc3ccccc32)n1 ZINC000118165490 563869447 /nfs/dbraw/zinc/86/94/47/563869447.db2.gz GSJPMJBLPXIWBI-CYBMUJFWSA-N 0 0 322.364 3.854 50 0 DHAARN CC1=CCC[C@@H](C)[C@H]1CNc1ccccc1CS(C)(=O)=O ZINC000191083543 563871450 /nfs/dbraw/zinc/87/14/50/563871450.db2.gz JQBLVDPOGLBTLI-ZBFHGGJFSA-N 0 0 307.459 3.636 50 0 DHAARN CCN(C(=O)Cc1cn2ccsc2n1)c1ccc(C)cc1C ZINC000075445003 563871670 /nfs/dbraw/zinc/87/16/70/563871670.db2.gz SALRLWWEYIKQEF-UHFFFAOYSA-N 0 0 313.426 3.608 50 0 DHAARN CCN(CC)c1cccc(Oc2ccc(N)cc2C(=O)OC)c1 ZINC000040449052 563871922 /nfs/dbraw/zinc/87/19/22/563871922.db2.gz GASTXGZNSJRAJM-UHFFFAOYSA-N 0 0 314.385 3.694 50 0 DHAARN CCc1nc(-c2cc(NC(=O)c3ccccc3)c(C)s2)no1 ZINC000035554866 563872312 /nfs/dbraw/zinc/87/23/12/563872312.db2.gz BXIIAZIKVZIQDN-UHFFFAOYSA-N 0 0 313.382 3.921 50 0 DHAARN Cc1ccccc1-n1nnnc1C1(Nc2ccccc2)CCCC1 ZINC000035622435 563872687 /nfs/dbraw/zinc/87/26/87/563872687.db2.gz RPCNQZQIAQUXDL-UHFFFAOYSA-N 0 0 319.412 3.852 50 0 DHAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)NCCCOC(C)C ZINC000035672339 563873978 /nfs/dbraw/zinc/87/39/78/563873978.db2.gz MTBYATYTWSMWOR-UHFFFAOYSA-N 0 0 316.401 3.503 50 0 DHAARN FC(F)(F)Cn1ccnc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000191444891 563874020 /nfs/dbraw/zinc/87/40/20/563874020.db2.gz RSZZTVNKYUREFY-UHFFFAOYSA-N 0 0 313.367 3.504 50 0 DHAARN O=C(Nc1nncs1)c1cc2c(s1)-c1ccccc1CC2 ZINC000013004386 563875068 /nfs/dbraw/zinc/87/50/68/563875068.db2.gz KJZOSJDOGPYZIR-UHFFFAOYSA-N 0 0 313.407 3.618 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc3ncccc32)cc1 ZINC000013012648 563876108 /nfs/dbraw/zinc/87/61/08/563876108.db2.gz YNBVBKLLTQNMPB-CQSZACIVSA-N 0 0 306.365 3.949 50 0 DHAARN COCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000013011860 563876193 /nfs/dbraw/zinc/87/61/93/563876193.db2.gz UYHIVASESZVRJH-UHFFFAOYSA-N 0 0 323.314 3.749 50 0 DHAARN COC(=O)c1ccccc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000013017436 563876723 /nfs/dbraw/zinc/87/67/23/563876723.db2.gz MMNFNQPSOIIOKK-UHFFFAOYSA-N 0 0 322.364 3.526 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000001753875 563877538 /nfs/dbraw/zinc/87/75/38/563877538.db2.gz XHDCZQFZTVJPFF-UHFFFAOYSA-N 0 0 311.385 3.930 50 0 DHAARN C[C@@H](NCc1cc(F)ccc1Br)c1ccccn1 ZINC000035694817 563878147 /nfs/dbraw/zinc/87/81/47/563878147.db2.gz BSBQXXRXULOJQO-SNVBAGLBSA-N 0 0 309.182 3.834 50 0 DHAARN O=C(CCc1conc1-c1ccccc1)NCC1CCCCC1 ZINC000075510112 563878205 /nfs/dbraw/zinc/87/82/05/563878205.db2.gz DBQAQHKVCCFCBU-UHFFFAOYSA-N 0 0 312.413 3.971 50 0 DHAARN CCSCc1cccc(NC(=O)N[C@H]2CC[C@H](CO)CC2)c1 ZINC000130863880 563878618 /nfs/dbraw/zinc/87/86/18/563878618.db2.gz BCYWLRFAZTYHNG-OTVXOJSOSA-N 0 0 322.474 3.612 50 0 DHAARN C[C@@H](Cc1nc(-c2nccs2)cs1)n1cc(Cl)cn1 ZINC000278323239 563879212 /nfs/dbraw/zinc/87/92/12/563879212.db2.gz UFHYFTKMZOZWGA-QMMMGPOBSA-N 0 0 310.835 3.920 50 0 DHAARN Cn1c(C(=O)O[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc2ccccc21 ZINC000242302302 563880945 /nfs/dbraw/zinc/88/09/45/563880945.db2.gz YRFVRSDQNMWAOS-IAOVAPTHSA-N 0 0 313.397 3.539 50 0 DHAARN CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000242389632 563881046 /nfs/dbraw/zinc/88/10/46/563881046.db2.gz ZZAUZUMEHNMNJA-RYGJVYDSSA-N 0 0 323.436 3.828 50 0 DHAARN CC(=O)c1cccc(NC(=O)CCc2cccc3[nH]ccc32)c1 ZINC000075550469 563883525 /nfs/dbraw/zinc/88/35/25/563883525.db2.gz GEXMOBWZLNTGHI-UHFFFAOYSA-N 0 0 306.365 3.942 50 0 DHAARN C[C@@H]1CC[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2C1 ZINC000252428398 563883864 /nfs/dbraw/zinc/88/38/64/563883864.db2.gz CDAVCIQKORJVFJ-WQHBLYJGSA-N 0 0 312.196 3.919 50 0 DHAARN COc1ccc(NC(=O)CCc2ccc3ccn(C)c3c2)cc1 ZINC000075550735 563883870 /nfs/dbraw/zinc/88/38/70/563883870.db2.gz 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/nfs/dbraw/zinc/89/29/25/563892925.db2.gz LJSMLOQZIRAVJQ-UHFFFAOYSA-N 0 0 324.833 3.858 50 0 DHAARN CCC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098271 563892930 /nfs/dbraw/zinc/89/29/30/563892930.db2.gz PLTVHDZGHPNAED-LJQANCHMSA-N 0 0 313.441 3.858 50 0 DHAARN O=C(Nc1ccccc1Cl)c1cc(C2CC2)n2nccc2n1 ZINC000064760977 563893636 /nfs/dbraw/zinc/89/36/36/563893636.db2.gz NVNCYGBCDJMPOZ-UHFFFAOYSA-N 0 0 312.760 3.512 50 0 DHAARN Cc1ccc(F)cc1NC(=O)c1cc(C(C)C)n2nccc2n1 ZINC000064760791 563893973 /nfs/dbraw/zinc/89/39/73/563893973.db2.gz RHQTYSZANDNRFY-UHFFFAOYSA-N 0 0 312.348 3.553 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3ccc(C)cc3C)ccc21 ZINC000064818592 563894342 /nfs/dbraw/zinc/89/43/42/563894342.db2.gz XMPWEKFOJAAPQY-UHFFFAOYSA-N 0 0 308.385 3.710 50 0 DHAARN CN1c2ccccc2C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000006831191 563895793 /nfs/dbraw/zinc/89/57/93/563895793.db2.gz UNWDUXZVYCHCKM-AWEZNQCLSA-N 0 0 306.287 3.584 50 0 DHAARN Cc1cccc(-c2cncc(C(=O)NCc3ccco3)c2)c1C ZINC000036349129 563895946 /nfs/dbraw/zinc/89/59/46/563895946.db2.gz SKVWIJVCWXRVIB-UHFFFAOYSA-N 0 0 306.365 3.888 50 0 DHAARN O=C(Nc1nccs1)c1cc2occc2n1Cc1ccccc1 ZINC000036357534 563896266 /nfs/dbraw/zinc/89/62/66/563896266.db2.gz GOYIDAPXWCQHKT-UHFFFAOYSA-N 0 0 323.377 3.991 50 0 DHAARN CC[C@@H]1CN(C(=O)NCc2ccc(F)cc2)c2ccccc2O1 ZINC000006845847 563897083 /nfs/dbraw/zinc/89/70/83/563897083.db2.gz PTJYKNMVLJOFDM-OAHLLOKOSA-N 0 0 314.360 3.713 50 0 DHAARN O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccccc1 ZINC000169755520 563897614 /nfs/dbraw/zinc/89/76/14/563897614.db2.gz JIYISRQYEWHDQB-UHFFFAOYSA-N 0 0 318.380 3.534 50 0 DHAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccncc1 ZINC000006879097 563898010 /nfs/dbraw/zinc/89/80/10/563898010.db2.gz MBCFWJDTCNCHFD-UHFFFAOYSA-N 0 0 321.405 3.946 50 0 DHAARN COCc1c2ccccc2oc1C(=O)NCc1cccs1 ZINC000006882236 563898285 /nfs/dbraw/zinc/89/82/85/563898285.db2.gz GQDWSDRVOHUJHI-UHFFFAOYSA-N 0 0 301.367 3.571 50 0 DHAARN COc1ccc(C2=CCN(c3ncnc4ccccc43)CC2)cc1 ZINC000036392506 563898449 /nfs/dbraw/zinc/89/84/49/563898449.db2.gz OVFGUNDIAXJIBN-UHFFFAOYSA-N 0 0 317.392 3.932 50 0 DHAARN CCCCOc1ccc(C(=O)Nc2nccs2)cc1OCC ZINC000006943133 563900026 /nfs/dbraw/zinc/90/00/26/563900026.db2.gz QNFAVJYPHGJPIL-UHFFFAOYSA-N 0 0 320.414 3.973 50 0 DHAARN CCc1nc(SC)ncc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000006938381 563900052 /nfs/dbraw/zinc/90/00/52/563900052.db2.gz ZZUIQKPOIQFQGZ-UHFFFAOYSA-N 0 0 321.833 3.975 50 0 DHAARN O=C(Cc1cccc(F)c1)Nc1cc(-c2cccs2)no1 ZINC000065152954 563900358 /nfs/dbraw/zinc/90/03/58/563900358.db2.gz AKJIOQUPRGBOEJ-UHFFFAOYSA-N 0 0 302.330 3.723 50 0 DHAARN O=C(c1ccco1)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000065180741 563900565 /nfs/dbraw/zinc/90/05/65/563900565.db2.gz UOAQMKUMEMRHGJ-UHFFFAOYSA-N 0 0 317.360 3.740 50 0 DHAARN CN(Cc1cccnc1Oc1ccccc1)C(=O)c1ccncc1 ZINC000065267076 563901819 /nfs/dbraw/zinc/90/18/19/563901819.db2.gz ZDULKKMFJUXUPK-UHFFFAOYSA-N 0 0 319.364 3.541 50 0 DHAARN O=C(Cc1ccsc1)NCc1cccnc1Oc1ccccc1 ZINC000065266789 563901980 /nfs/dbraw/zinc/90/19/80/563901980.db2.gz VEYKUWYGDNSPAI-UHFFFAOYSA-N 0 0 324.405 3.794 50 0 DHAARN CC(C)CCC[C@H](C)NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000036661294 563902696 /nfs/dbraw/zinc/90/26/96/563902696.db2.gz XZRYDMSCDVGIAZ-ZQIUZPCESA-N 0 0 305.418 3.546 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2nc(C3CCC3)oc2C)c1 ZINC000065293535 563902734 /nfs/dbraw/zinc/90/27/34/563902734.db2.gz HYBNWRWBIPCIOB-UHFFFAOYSA-N 0 0 316.357 3.520 50 0 DHAARN COc1ccc(-c2cc(Nc3ccc4c(c3)OCO4)ncn2)cc1 ZINC000036708975 563903243 /nfs/dbraw/zinc/90/32/43/563903243.db2.gz WDLPSOOFWLFNMV-UHFFFAOYSA-N 0 0 321.336 3.625 50 0 DHAARN Cc1cc2nc(NC(=O)c3ccn(C(C)C)n3)sc2cc1C ZINC000036701812 563903315 /nfs/dbraw/zinc/90/33/15/563903315.db2.gz ZFXWCUDSQXKTPX-UHFFFAOYSA-N 0 0 314.414 3.943 50 0 DHAARN CC(=O)c1cccc(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000007146524 563903950 /nfs/dbraw/zinc/90/39/50/563903950.db2.gz ZFFJGNTYWHVFHY-UHFFFAOYSA-N 0 0 317.385 3.900 50 0 DHAARN C[C@@H]1CCc2sc(C(=O)N3CCOc4ccccc43)cc2C1 ZINC000036763873 563903980 /nfs/dbraw/zinc/90/39/80/563903980.db2.gz ODRSMEODUSSLEW-GFCCVEGCSA-N 0 0 313.422 3.912 50 0 DHAARN COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000007223478 563904604 /nfs/dbraw/zinc/90/46/04/563904604.db2.gz KYOYMXJBVBVWOE-LLVKDONJSA-N 0 0 304.777 3.788 50 0 DHAARN O=C1C(=Cc2cccs2)NC(=S)N1c1ccc(Cl)cc1 ZINC000007335680 563905363 /nfs/dbraw/zinc/90/53/63/563905363.db2.gz DHKPVAMOLLIRGL-XYOKQWHBSA-N 0 0 320.826 3.664 50 0 DHAARN C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccnc1Cl ZINC000007360377 563905406 /nfs/dbraw/zinc/90/54/06/563905406.db2.gz UMXIZIIXKFQQKD-GFCCVEGCSA-N 0 0 315.804 3.515 50 0 DHAARN CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007420087 563905976 /nfs/dbraw/zinc/90/59/76/563905976.db2.gz LFMNHKUSLRGUDA-CQSZACIVSA-N 0 0 314.404 3.847 50 0 DHAARN COc1ccccc1[C@@H](C)Nc1cccc(C[S@](C)=O)c1 ZINC000170592764 563906530 /nfs/dbraw/zinc/90/65/30/563906530.db2.gz JBQPHBOVODUTSM-ASSNKEHSSA-N 0 0 303.427 3.747 50 0 DHAARN Cc1cccc(CCNC(=O)Nc2ccnn2-c2ccccc2)c1 ZINC000170600026 563907437 /nfs/dbraw/zinc/90/74/37/563907437.db2.gz KRYKKYOEXJJQCQ-UHFFFAOYSA-N 0 0 320.396 3.545 50 0 DHAARN Cc1cc(C)c(NC(=O)COC(=O)c2cccc(F)c2)c(C)c1 ZINC000007514196 563907507 /nfs/dbraw/zinc/90/75/07/563907507.db2.gz JIWNHROEKYQQGS-UHFFFAOYSA-N 0 0 315.344 3.546 50 0 DHAARN CCC1(CC)CCN(C(=O)CSCc2ccccn2)CC1 ZINC000170600918 563907516 /nfs/dbraw/zinc/90/75/16/563907516.db2.gz DOANGNRWLBSOSL-UHFFFAOYSA-N 0 0 306.475 3.744 50 0 DHAARN Cc1noc(C)c1CC(=O)Nc1c2ncsc2ccc1Cl ZINC000170605767 563907709 /nfs/dbraw/zinc/90/77/09/563907709.db2.gz JTEUFVQDUDVBFO-UHFFFAOYSA-N 0 0 321.789 3.736 50 0 DHAARN C[C@H](NC(=O)c1cc2sccc2[nH]1)c1ccc(F)c(F)c1 ZINC000170610203 563907740 /nfs/dbraw/zinc/90/77/40/563907740.db2.gz FGBAHLLCTWZWKN-QMMMGPOBSA-N 0 0 306.337 3.999 50 0 DHAARN COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)noc1C ZINC000007525920 563908069 /nfs/dbraw/zinc/90/80/69/563908069.db2.gz NDFVCTJBCAPUOF-UHFFFAOYSA-N 0 0 322.792 3.833 50 0 DHAARN CCOc1ccc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)cc1 ZINC000170614112 563908145 /nfs/dbraw/zinc/90/81/45/563908145.db2.gz OTCKSSZHRXJWFX-INIZCTEOSA-N 0 0 314.410 3.844 50 0 DHAARN COc1cccc2c1CCN(C(=O)c1cc3ccccc3o1)CC2 ZINC000170615839 563908401 /nfs/dbraw/zinc/90/84/01/563908401.db2.gz AMHPTJKRVXEFSX-UHFFFAOYSA-N 0 0 321.376 3.682 50 0 DHAARN CC(=O)Nc1ccc(CCNc2ncnc3ccc(C)cc32)cc1 ZINC000170621223 563908647 /nfs/dbraw/zinc/90/86/47/563908647.db2.gz XWCRKZZWMJDWKO-UHFFFAOYSA-N 0 0 320.396 3.551 50 0 DHAARN COc1ccccc1C1=NN(C(C)=O)[C@H](c2ccc(F)cc2)C1 ZINC000170625895 563908762 /nfs/dbraw/zinc/90/87/62/563908762.db2.gz OGMXUKJKLWAVSK-KRWDZBQOSA-N 0 0 312.344 3.532 50 0 DHAARN O=C(Nc1cccc(NC2CCCC2)c1)c1ccnc(C2CC2)n1 ZINC000170630632 563908968 /nfs/dbraw/zinc/90/89/68/563908968.db2.gz PVECAYVCJXWXGR-UHFFFAOYSA-N 0 0 322.412 3.961 50 0 DHAARN COC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)s1 ZINC000009908641 563909099 /nfs/dbraw/zinc/90/90/99/563909099.db2.gz ZTVDBQARJMNBIE-UHFFFAOYSA-N 0 0 315.350 3.842 50 0 DHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCc2ccccc2C1 ZINC000010218396 563909282 /nfs/dbraw/zinc/90/92/82/563909282.db2.gz WFIBPDRRZICOPF-UHFFFAOYSA-N 0 0 305.299 3.904 50 0 DHAARN CCCCN(CCCC)S(=O)(=O)c1c(F)cccc1F ZINC000071415931 563909302 /nfs/dbraw/zinc/90/93/02/563909302.db2.gz CYUXXEFDLBCVDO-UHFFFAOYSA-N 0 0 305.390 3.556 50 0 DHAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 ZINC000071854031 563909524 /nfs/dbraw/zinc/90/95/24/563909524.db2.gz BJKGWPLPNMKEMV-VIFPVBQESA-N 0 0 322.359 3.857 50 0 DHAARN O=S(=O)(Nc1ccc2cc[nH]c2c1)c1ccc(Cl)cc1 ZINC000013331340 563909649 /nfs/dbraw/zinc/90/96/49/563909649.db2.gz IZMRFPKLZQBKPF-UHFFFAOYSA-N 0 0 306.774 3.622 50 0 DHAARN COc1cccc(C2=N/C(=C\c3ccc(Cl)s3)C(=O)O2)c1 ZINC000014176508 563910488 /nfs/dbraw/zinc/91/04/88/563910488.db2.gz ZKBZRCATZBRZLO-WQLSENKSSA-N 0 0 319.769 3.755 50 0 DHAARN Cc1ccc(C)c([C@@H](C)NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 ZINC000014573280 563910651 /nfs/dbraw/zinc/91/06/51/563910651.db2.gz WTBIZIOVUDECEG-KDOFPFPSSA-N 0 0 323.392 3.782 50 0 DHAARN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000014427414 563910652 /nfs/dbraw/zinc/91/06/52/563910652.db2.gz CFCOWRAPZUEIFS-AWEZNQCLSA-N 0 0 301.729 3.580 50 0 DHAARN Cc1ccc(-c2ccc(C(N)=O)cc2Br)c(C)c1 ZINC000675074558 563910954 /nfs/dbraw/zinc/91/09/54/563910954.db2.gz ZXKYSFTXXLUNCA-UHFFFAOYSA-N 0 0 304.187 3.832 50 0 DHAARN O=C(CC1CCSCC1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000089775036 563911284 /nfs/dbraw/zinc/91/12/84/563911284.db2.gz NSSONBXDRMCGPE-KRWDZBQOSA-N 0 0 321.461 3.893 50 0 DHAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CC1 ZINC000016837544 563911339 /nfs/dbraw/zinc/91/13/39/563911339.db2.gz DIZMIHQVGDUUOB-UHFFFAOYSA-N 0 0 320.392 3.628 50 0 DHAARN O=C(NCc1cccnc1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089873208 563911612 /nfs/dbraw/zinc/91/16/12/563911612.db2.gz XKVHTAJLJLKICM-RTBURBONSA-N 0 0 302.377 3.655 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000089862366 563911697 /nfs/dbraw/zinc/91/16/97/563911697.db2.gz BCGOHCWHEYVEJJ-UHFFFAOYSA-N 0 0 319.384 3.654 50 0 DHAARN O=C(NCc1ccncc1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089873210 563911967 /nfs/dbraw/zinc/91/19/67/563911967.db2.gz BSDZZDIITXMLDZ-MOPGFXCFSA-N 0 0 302.377 3.655 50 0 DHAARN CC(C)(C)c1csc([C@H]2CCCCN2C(=O)[C@H]2CCOC2)n1 ZINC000076042948 563911979 /nfs/dbraw/zinc/91/19/79/563911979.db2.gz LXLIMBIIUUGIEF-QWHCGFSZSA-N 0 0 322.474 3.531 50 0 DHAARN COCC1CCN(C(=O)c2cccc(OCC=C(C)C)c2)CC1 ZINC000076041484 563911998 /nfs/dbraw/zinc/91/19/98/563911998.db2.gz KGCVTIKBWHCIDK-UHFFFAOYSA-N 0 0 317.429 3.530 50 0 DHAARN C[C@@H](c1ccccc1)n1ccc(NC(=O)CCC(F)(F)F)n1 ZINC000089905766 563912088 /nfs/dbraw/zinc/91/20/88/563912088.db2.gz AYFBYDRWPWSIOI-NSHDSACASA-N 0 0 311.307 3.773 50 0 DHAARN CC(C)c1nc([C@@H]2CCCN2Cc2ccncc2Cl)no1 ZINC000076051442 563912136 /nfs/dbraw/zinc/91/21/36/563912136.db2.gz HZXUOXKRWXIMAJ-ZDUSSCGKSA-N 0 0 306.797 3.579 50 0 DHAARN CCOC(=O)c1cc(NC(=O)Nc2cccc3ccccc32)c[nH]1 ZINC000076092145 563912282 /nfs/dbraw/zinc/91/22/82/563912282.db2.gz UKLNOXJGPLJWDU-UHFFFAOYSA-N 0 0 323.352 3.989 50 0 DHAARN C[C@H]1CCN(C(=O)c2ncncc2Cl)c2ccccc2S1 ZINC000089930055 563912345 /nfs/dbraw/zinc/91/23/45/563912345.db2.gz NSQYHMGCWNUASV-JTQLQIEISA-N 0 0 319.817 3.661 50 0 DHAARN CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccnc2ccccc21 ZINC000089930443 563912449 /nfs/dbraw/zinc/91/24/49/563912449.db2.gz DGYVGRUQCPNQAI-QGZVFWFLSA-N 0 0 321.405 3.994 50 0 DHAARN CO[C@@H](C)c1cccc(NCc2nnc(-c3ccccc3)n2C)c1 ZINC000090371505 563912759 /nfs/dbraw/zinc/91/27/59/563912759.db2.gz DRPOBZBWEOTKJU-AWEZNQCLSA-N 0 0 322.412 3.802 50 0 DHAARN CC(C)c1ccc2nc([C@H]3CSCCS3)[nH]c(=O)c2c1 ZINC000079913428 563912844 /nfs/dbraw/zinc/91/28/44/563912844.db2.gz YTQFOCQPGMGRMZ-CYBMUJFWSA-N 0 0 306.456 3.568 50 0 DHAARN Cc1cccc(-c2noc(CN(C)C(=O)C3CCCCC3)n2)c1 ZINC000007720706 563913865 /nfs/dbraw/zinc/91/38/65/563913865.db2.gz QZQAQWOCNUDYMF-UHFFFAOYSA-N 0 0 313.401 3.584 50 0 DHAARN CC(C)CC[C@]1(CCN2C(=O)CCC2=O)CCOC(C)(C)C1 ZINC000002112075 563914215 /nfs/dbraw/zinc/91/42/15/563914215.db2.gz CEHGAKFXTIQVPW-SFHVURJKSA-N 0 0 309.450 3.537 50 0 biogenic DHAARN Fc1cccc(CCNc2ncnc3cc(F)c(F)cc32)c1F ZINC000170642884 563915642 /nfs/dbraw/zinc/91/56/42/563915642.db2.gz MFZRLDKMFBYAEU-UHFFFAOYSA-N 0 0 321.277 3.841 50 0 DHAARN CN(C(=O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1Cl ZINC000252481862 563915930 /nfs/dbraw/zinc/91/59/30/563915930.db2.gz CUDBDNYFWKDVSH-LLVKDONJSA-N 0 0 307.699 3.501 50 0 DHAARN Cc1ccc(N)cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000193468383 563916105 /nfs/dbraw/zinc/91/61/05/563916105.db2.gz LJPHWJNWHBLHON-PXNSSMCTSA-N 0 0 306.409 3.810 50 0 DHAARN Cc1cnccc1NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000252495217 563916213 /nfs/dbraw/zinc/91/62/13/563916213.db2.gz ONVPGRSHYKLFHP-UHFFFAOYSA-N 0 0 317.339 3.865 50 0 DHAARN C[C@H](NC(=O)Nc1cccc2c1OC(C)(C)C2)c1nccs1 ZINC000252500479 563916328 /nfs/dbraw/zinc/91/63/28/563916328.db2.gz SWNSZFVNLQFOKN-JTQLQIEISA-N 0 0 317.414 3.739 50 0 DHAARN CCN(CC)C(=O)c1ccc(NC[C@@H]2Cc3ccccc3O2)cc1 ZINC000252509062 563916512 /nfs/dbraw/zinc/91/65/12/563916512.db2.gz YBWJNEJLSGFBHG-SFHVURJKSA-N 0 0 324.424 3.584 50 0 DHAARN Cc1ncsc1C(=O)NCc1ccnc(-c2cccs2)c1 ZINC000252509853 563916532 /nfs/dbraw/zinc/91/65/32/563916532.db2.gz YWZLLUVDIYSKPJ-UHFFFAOYSA-N 0 0 315.423 3.505 50 0 DHAARN Fc1cc2ncc(N3CCS[C@@H]4CCCC[C@@H]43)nc2cc1F ZINC000170656938 563917164 /nfs/dbraw/zinc/91/71/64/563917164.db2.gz MRAPTVLXZKHGSD-LSDHHAIUSA-N 0 0 321.396 3.772 50 0 DHAARN CCCCSc1nnc(-c2ccc(NC(=O)CC)cc2)n1C ZINC000002202298 563917338 /nfs/dbraw/zinc/91/73/38/563917338.db2.gz AOVNGXSCXXBTBL-UHFFFAOYSA-N 0 0 318.446 3.723 50 0 DHAARN C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000252610755 563917687 /nfs/dbraw/zinc/91/76/87/563917687.db2.gz IDGBGVTYAWZBIJ-WXWNXPJBSA-N 0 0 300.398 3.605 50 0 DHAARN COc1cc(C(=O)Oc2cccc(Cl)c2)cc(OC)c1OC ZINC000007658345 563917767 /nfs/dbraw/zinc/91/77/67/563917767.db2.gz IZNNYPZXFHSAPY-UHFFFAOYSA-N 0 0 322.744 3.585 50 0 DHAARN Cc1cccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1O ZINC000007700566 563917939 /nfs/dbraw/zinc/91/79/39/563917939.db2.gz PSFWLAZOADHTBA-LBPRGKRZSA-N 0 0 323.348 3.610 50 0 DHAARN O=C(COc1ccc(Cl)cc1)Nc1ccnn1C1CCCC1 ZINC000007705620 563918127 /nfs/dbraw/zinc/91/81/27/563918127.db2.gz JOAWIXPOLBQGID-UHFFFAOYSA-N 0 0 319.792 3.669 50 0 DHAARN c1csc(-c2cc(CSc3nnc4ccccn43)no2)c1 ZINC000007725934 563918185 /nfs/dbraw/zinc/91/81/85/563918185.db2.gz VBDYNERTJQRMLC-UHFFFAOYSA-N 0 0 314.395 3.738 50 0 DHAARN Cc1cccc(N2CCN(Cc3ccccc3C)[C@H](C)C2=O)c1C ZINC000037520420 563918269 /nfs/dbraw/zinc/91/82/69/563918269.db2.gz SBQSGTZTVXUIQZ-GOSISDBHSA-N 0 0 322.452 3.849 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC2)c1cncn1-c1ccccc1 ZINC000007738174 563918538 /nfs/dbraw/zinc/91/85/38/563918538.db2.gz MYMCQTDXICKGFC-UHFFFAOYSA-N 0 0 303.365 3.613 50 0 DHAARN CCN(C)C(=O)c1cc2sccc2n1Cc1ccccc1F ZINC000037587517 563918869 /nfs/dbraw/zinc/91/88/69/563918869.db2.gz HHXHLSPLFHDYCJ-UHFFFAOYSA-N 0 0 316.401 3.982 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(Cl)c1 ZINC000007777544 563919162 /nfs/dbraw/zinc/91/91/62/563919162.db2.gz UEMDYSBUZPLJKU-MRXNPFEDSA-N 0 0 303.789 3.814 50 0 DHAARN CC[C@H](NC(=O)COc1cccc(F)c1)c1ccc(C)cc1 ZINC000007792592 563919452 /nfs/dbraw/zinc/91/94/52/563919452.db2.gz HULKVTIGSSUSCZ-KRWDZBQOSA-N 0 0 301.361 3.780 50 0 DHAARN C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000007814058 563919909 /nfs/dbraw/zinc/91/99/09/563919909.db2.gz JYDWSBDJJDYAEP-CZUORRHYSA-N 0 0 313.422 3.807 50 0 DHAARN Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000007915091 563920690 /nfs/dbraw/zinc/92/06/90/563920690.db2.gz QRVPNABPZXSOBH-UHFFFAOYSA-N 0 0 322.408 3.611 50 0 DHAARN COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(OC)cc3C(=O)C[C@@H]12 ZINC000019926373 563923650 /nfs/dbraw/zinc/92/36/50/563923650.db2.gz ILLXZXDZDBAZCO-NZSAHSFTSA-N 0 0 316.397 3.519 50 0 DHAARN COc1ccc(-c2csc3nc4ccccc4c(=O)n23)cc1 ZINC000019911006 563923710 /nfs/dbraw/zinc/92/37/10/563923710.db2.gz LELNYMBWKKOVCE-UHFFFAOYSA-N 0 0 308.362 3.585 50 0 DHAARN COc1cccc(CC[C@]2(O)CCC[C@@H]3C(=O)CCC[C@@H]32)c1 ZINC000019799574 563923733 /nfs/dbraw/zinc/92/37/33/563923733.db2.gz QLIZPHPPXPDWAL-JENIJYKNSA-N 0 0 302.414 3.528 50 0 DHAARN CCCCCc1nc2sc3c(c2c(NCCO)n1)CCCC3 ZINC000002288272 563924915 /nfs/dbraw/zinc/92/49/15/563924915.db2.gz XMHFSRLLUJRZNZ-UHFFFAOYSA-N 0 0 319.474 3.707 50 0 DHAARN C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc2ncoc2c1 ZINC000253416498 563924955 /nfs/dbraw/zinc/92/49/55/563924955.db2.gz JBDSEZSNDGCSBJ-LLVKDONJSA-N 0 0 300.383 3.593 50 0 DHAARN CC(C)c1cc(C(=O)N2CCCC[C@@H]3CCCC[C@H]32)n(C)n1 ZINC000253393773 563924998 /nfs/dbraw/zinc/92/49/98/563924998.db2.gz VNGPXUURFQLMEM-GOEBONIOSA-N 0 0 303.450 3.728 50 0 DHAARN CCC1(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CCOCC1 ZINC000253420424 563925149 /nfs/dbraw/zinc/92/51/49/563925149.db2.gz ISVFVGWUHPSYQB-WBVHZDCISA-N 0 0 319.420 3.785 50 0 DHAARN CSc1cccc(C)c1NC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000253420936 563925232 /nfs/dbraw/zinc/92/52/32/563925232.db2.gz NMBFTICISRRMRF-KGLIPLIRSA-N 0 0 320.458 3.892 50 0 DHAARN C[C@@H](O)CCc1ccc(OCc2cc(C(C)(C)C)on2)cc1 ZINC000253419419 563925239 /nfs/dbraw/zinc/92/52/39/563925239.db2.gz MYXZMUTUYLHWHF-CYBMUJFWSA-N 0 0 303.402 3.865 50 0 DHAARN Brc1ccc([C@H]2CCCN2Cc2ccon2)s1 ZINC000253427455 563925385 /nfs/dbraw/zinc/92/53/85/563925385.db2.gz ZUFUCCAGSDVELR-SNVBAGLBSA-N 0 0 313.220 3.836 50 0 DHAARN CCOc1c(CN(C)C(=O)NC2(C)CCCC2)cccc1OC ZINC000584890149 563925503 /nfs/dbraw/zinc/92/55/03/563925503.db2.gz IPHGOKJFMXPIPH-UHFFFAOYSA-N 0 0 320.433 3.568 50 0 DHAARN CN(Cc1cnc2ccccc2c1)C(=O)c1cccn1C1CC1 ZINC000584896138 563925548 /nfs/dbraw/zinc/92/55/48/563925548.db2.gz VGCSHAFNZCJISW-UHFFFAOYSA-N 0 0 305.381 3.643 50 0 DHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1n1c(=O)[nH]c2ccccc2c1=O ZINC000253630381 563926924 /nfs/dbraw/zinc/92/69/24/563926924.db2.gz YPEBBDJPIIAHOT-XJKCOSOUSA-N 0 0 300.402 3.735 50 0 DHAARN O=C1S/C(=C/c2cccs2)C(=O)N1c1ccc(O)cc1 ZINC000002368066 563927332 /nfs/dbraw/zinc/92/73/32/563927332.db2.gz XHGSYSGXPTZEBG-XYOKQWHBSA-N 0 0 303.364 3.695 50 0 DHAARN FC(F)COCCSc1nnc(-c2ccccc2Cl)o1 ZINC000225441958 563928098 /nfs/dbraw/zinc/92/80/98/563928098.db2.gz OHYSLOCMZFOTOH-UHFFFAOYSA-N 0 0 320.748 3.764 50 0 DHAARN COc1ccc(C(=O)N(C)c2ccccc2)cc1Br ZINC000012816749 563928945 /nfs/dbraw/zinc/92/89/45/563928945.db2.gz ZFZUVEJUJIZIDY-UHFFFAOYSA-N 0 0 320.186 3.734 50 0 DHAARN Cc1ccc2cc3c(NC(=O)C4CCCCC4)nn(C)c3nc2c1 ZINC000002452612 563929061 /nfs/dbraw/zinc/92/90/61/563929061.db2.gz FYNDSNJHGNRBIP-UHFFFAOYSA-N 0 0 322.412 3.949 50 0 DHAARN COc1ccc(CCCNC(=O)c2cccc3cccnc32)cc1 ZINC000078648318 563929738 /nfs/dbraw/zinc/92/97/38/563929738.db2.gz MUMGUTFRISKWJD-UHFFFAOYSA-N 0 0 320.392 3.606 50 0 DHAARN Cc1ccc([C@H]2CCCCN2C(=O)NC2CCC(O)CC2)cc1 ZINC000078932874 563930077 /nfs/dbraw/zinc/93/00/77/563930077.db2.gz QYIOCUVRSVFDTI-DAWZGUTISA-N 0 0 316.445 3.535 50 0 DHAARN O=C(NC[C@@H]1SCCc2ccccc21)[C@H]1C[C@@H]1c1ccco1 ZINC000079018636 563930302 /nfs/dbraw/zinc/93/03/02/563930302.db2.gz VQMULJVTZUGLAK-ZOBUZTSGSA-N 0 0 313.422 3.530 50 0 DHAARN CCn1ccnc1CNc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000079073339 563930319 /nfs/dbraw/zinc/93/03/19/563930319.db2.gz FONPMWVTHXCRBB-UHFFFAOYSA-N 0 0 323.444 3.998 50 0 DHAARN CC(C)n1cc(CCC(=O)NCc2ccccn2)c2ccccc21 ZINC000079489257 563930487 /nfs/dbraw/zinc/93/04/87/563930487.db2.gz RCVBEAOZKWOPAF-UHFFFAOYSA-N 0 0 321.424 3.866 50 0 DHAARN COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)c1 ZINC000079112371 563930535 /nfs/dbraw/zinc/93/05/35/563930535.db2.gz LFFVVEORFZPPSB-LJQANCHMSA-N 0 0 308.381 3.701 50 0 DHAARN O=C(Nc1ccccn1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000079718767 563930636 /nfs/dbraw/zinc/93/06/36/563930636.db2.gz WRKXSHHOULWKCG-UHFFFAOYSA-N 0 0 320.396 3.974 50 0 DHAARN Cc1cnc(C(C)(C)NC(=O)NC[C@@H](C)c2ccsc2)s1 ZINC000080159058 563930875 /nfs/dbraw/zinc/93/08/75/563930875.db2.gz PPZIMWCIDMPEDD-SNVBAGLBSA-N 0 0 323.487 3.851 50 0 DHAARN C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccncc1 ZINC000080056580 563930985 /nfs/dbraw/zinc/93/09/85/563930985.db2.gz PXFRBLSTBHAMDW-CQSZACIVSA-N 0 0 319.474 3.604 50 0 DHAARN Cn1cc([C@H](NCc2ccc(F)cc2)c2cccc(F)c2)cn1 ZINC000095427004 563931586 /nfs/dbraw/zinc/93/15/86/563931586.db2.gz GNZIZVDCFNFBRP-GOSISDBHSA-N 0 0 313.351 3.578 50 0 DHAARN Cc1noc(C)c1N(C)C(=O)c1scnc1C1CCCC1 ZINC000095940038 563932034 /nfs/dbraw/zinc/93/20/34/563932034.db2.gz SNFHVCWGJDDOQY-UHFFFAOYSA-N 0 0 305.403 3.682 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)C1(c2ccccc2)CCCC1 ZINC000095949185 563932125 /nfs/dbraw/zinc/93/21/25/563932125.db2.gz CHQCJVHBZYUMJM-UHFFFAOYSA-N 0 0 312.413 3.762 50 0 DHAARN CCC[C@H](NC(=O)NCc1c(C)noc1C)c1cccs1 ZINC000095955395 563932388 /nfs/dbraw/zinc/93/23/88/563932388.db2.gz IITYVKJPTFAWRJ-ZDUSSCGKSA-N 0 0 307.419 3.694 50 0 DHAARN CC(C)(NC(=O)c1cnc(C2CC2)s1)c1cccc(F)c1 ZINC000095960492 563932476 /nfs/dbraw/zinc/93/24/76/563932476.db2.gz XZUOBRVNZQZXCN-UHFFFAOYSA-N 0 0 304.390 3.825 50 0 DHAARN CCc1noc([C@H](C)Nc2cccc(N3CCCCC3)c2)n1 ZINC000095959776 563932545 /nfs/dbraw/zinc/93/25/45/563932545.db2.gz VELJXXUWBHRWGI-ZDUSSCGKSA-N 0 0 300.406 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/nfs/dbraw/zinc/93/45/77/563934577.db2.gz AGOYFEVVVSSVGL-OAHLLOKOSA-N 0 0 324.384 3.520 50 0 DHAARN CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000096103347 563935294 /nfs/dbraw/zinc/93/52/94/563935294.db2.gz ABSKTKWHYYZMMT-CYBMUJFWSA-N 0 0 310.806 3.911 50 0 DHAARN Cc1cccc(NC(=O)CCc2ccnc(N3CCCC3)c2)c1C ZINC000096102088 563935300 /nfs/dbraw/zinc/93/53/00/563935300.db2.gz QAWGAMMOMAOEIR-UHFFFAOYSA-N 0 0 323.440 3.870 50 0 DHAARN CO[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000096097385 563935317 /nfs/dbraw/zinc/93/53/17/563935317.db2.gz ZASCCAAQNHXDNT-ZDUSSCGKSA-N 0 0 313.781 3.658 50 0 DHAARN O=C(N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccncc1 ZINC000096117525 563935528 /nfs/dbraw/zinc/93/55/28/563935528.db2.gz JOHOANJALAIGRY-MRXNPFEDSA-N 0 0 309.344 3.509 50 0 DHAARN CSc1ccc(/C=C/C(=O)NCc2cc(C)oc2C)cc1 ZINC000096120548 563935625 /nfs/dbraw/zinc/93/56/25/563935625.db2.gz OQFYEIXVLFREGV-RMKNXTFCSA-N 0 0 301.411 3.948 50 0 DHAARN CC[C@@H](C)N(C)C(=O)/C=C\c1cc(Cl)c(OC)c(OC)c1 ZINC000096129919 563935651 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ZINC000096407406 563936756 /nfs/dbraw/zinc/93/67/56/563936756.db2.gz IPDXWKYRILTJLJ-CYBMUJFWSA-N 0 0 322.817 3.567 50 0 DHAARN CC(=O)Nc1cccc(COc2ccccc2NC(=O)C2CC2)c1 ZINC000096406564 563936807 /nfs/dbraw/zinc/93/68/07/563936807.db2.gz OJTYYEHNYCQEHY-UHFFFAOYSA-N 0 0 324.380 3.573 50 0 DHAARN COc1ccccc1-c1nnc(CNc2cccc(F)c2C)o1 ZINC000096472198 563937231 /nfs/dbraw/zinc/93/72/31/563937231.db2.gz UHJFQJKNUBRMHA-UHFFFAOYSA-N 0 0 313.332 3.805 50 0 DHAARN CC(C)Sc1ccccc1NCc1cccc(C(N)=O)c1 ZINC000096472205 563937241 /nfs/dbraw/zinc/93/72/41/563937241.db2.gz GVHRCVLQISXCNR-UHFFFAOYSA-N 0 0 300.427 3.898 50 0 DHAARN COC[C@@H](NC(=O)Nc1ccc(SC)c(F)c1)c1ccco1 ZINC000096446016 563937261 /nfs/dbraw/zinc/93/72/61/563937261.db2.gz YEILKDRGBAPMPL-GFCCVEGCSA-N 0 0 324.377 3.650 50 0 DHAARN CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cc(C)on1)CCC2 ZINC000096476078 563937265 /nfs/dbraw/zinc/93/72/65/563937265.db2.gz FCOBTHNAUHTFHS-LLVKDONJSA-N 0 0 320.418 3.543 50 0 DHAARN CCCS(=O)(=O)Nc1cccc(NCc2ccsc2)c1C 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ZINC000003048247 563941738 /nfs/dbraw/zinc/94/17/38/563941738.db2.gz HYEHRBPZEDEHPY-ZBFHGGJFSA-N 0 0 314.410 3.586 50 0 DHAARN Fc1cc2ncc(N3CCS[C@H]4CCCC[C@H]43)nc2cc1F ZINC000230224553 563942141 /nfs/dbraw/zinc/94/21/41/563942141.db2.gz MRAPTVLXZKHGSD-CABCVRRESA-N 0 0 321.396 3.772 50 0 DHAARN CN(C(=O)COC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003217603 563943032 /nfs/dbraw/zinc/94/30/32/563943032.db2.gz VNNRLKKHIXTFOW-UHFFFAOYSA-N 0 0 319.360 3.660 50 0 DHAARN O=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 ZINC000003239338 563943141 /nfs/dbraw/zinc/94/31/41/563943141.db2.gz QHFGMZKKFZECOS-UHFFFAOYSA-N 0 0 314.291 3.953 50 0 DHAARN CC(C)(C)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000003240019 563943162 /nfs/dbraw/zinc/94/31/62/563943162.db2.gz OWPHFCDYXIDDGM-UHFFFAOYSA-N 0 0 324.376 3.690 50 0 DHAARN CC(C)(C)CC(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003241868 563943221 /nfs/dbraw/zinc/94/32/21/563943221.db2.gz IVULEDFUZZHMEV-UHFFFAOYSA-N 0 0 305.418 3.902 50 0 DHAARN COc1ccccc1OCCC(=O)OCc1ccc(Cl)cc1 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CSc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)cc1 ZINC000031694270 563944756 /nfs/dbraw/zinc/94/47/56/563944756.db2.gz SINNHLHASNTYIA-GFCCVEGCSA-N 0 0 303.402 3.968 50 0 DHAARN Cc1ccc(C(=O)CSc2nnc(C3CCCC3)[nH]2)s1 ZINC000031796772 563944823 /nfs/dbraw/zinc/94/48/23/563944823.db2.gz VTZHMPDBSDTRMW-UHFFFAOYSA-N 0 0 307.444 3.807 50 0 DHAARN Cc1oc2c(c1C(=O)N[C@H](C)C1=CCCCC1)C(=O)CCC2 ZINC000670455812 563944906 /nfs/dbraw/zinc/94/49/06/563944906.db2.gz SYJNBTUEVMRCSF-LLVKDONJSA-N 0 0 301.386 3.726 50 0 DHAARN C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\N)CC[C@@]43C)[C@H]1CC/C2=N/N ZINC000004029083 563944907 /nfs/dbraw/zinc/94/49/07/563944907.db2.gz PINUESXRWZTPOZ-UULDAUCQSA-N 0 0 314.477 3.579 50 0 biogenic DHAARN CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc(C)c1 ZINC000004107604 563945084 /nfs/dbraw/zinc/94/50/84/563945084.db2.gz WGYXPTICMYKQFA-KRWDZBQOSA-N 0 0 308.381 3.763 50 0 DHAARN CN(C(=O)c1ccc(OCc2ccncc2)cc1)c1ccccc1 ZINC000032034465 563945093 /nfs/dbraw/zinc/94/50/93/563945093.db2.gz 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/nfs/dbraw/zinc/94/62/64/563946264.db2.gz WSHSISSKBSVSLU-SMDDNHRTSA-N 0 0 315.335 3.748 50 0 DHAARN COc1ccc(NC(=O)CSCc2ccccc2Cl)cn1 ZINC000008077951 563946580 /nfs/dbraw/zinc/94/65/80/563946580.db2.gz TXKZLTMJHCOSLS-UHFFFAOYSA-N 0 0 322.817 3.616 50 0 DHAARN COc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1Cl ZINC000008114386 563946774 /nfs/dbraw/zinc/94/67/74/563946774.db2.gz IHLXDIRRVJDMMO-GFCCVEGCSA-N 0 0 317.772 3.538 50 0 DHAARN CCc1oc2ccccc2c1/C=C/C(=O)OCC1(C)COC1 ZINC000066522531 563946953 /nfs/dbraw/zinc/94/69/53/563946953.db2.gz JSQMJGJXANVBGH-CMDGGOBGSA-N 0 0 300.354 3.588 50 0 DHAARN CC(=O)NCCc1ccc(-c2csc(-c3ccccn3)n2)cc1 ZINC000008209567 563947185 /nfs/dbraw/zinc/94/71/85/563947185.db2.gz GBOQDRBWSDJECM-UHFFFAOYSA-N 0 0 323.421 3.551 50 0 DHAARN COc1cccc(CNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 ZINC000008248845 563947377 /nfs/dbraw/zinc/94/73/77/563947377.db2.gz WZLSNHPUPYPVQB-LBPRGKRZSA-N 0 0 315.438 3.812 50 0 DHAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C)c(F)c2)c1 ZINC000008259588 563947446 /nfs/dbraw/zinc/94/74/46/563947446.db2.gz VDXXZMXEHYOBID-UHFFFAOYSA-N 0 0 315.344 3.546 50 0 DHAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCC1CCCC1 ZINC000008293009 563947488 /nfs/dbraw/zinc/94/74/88/563947488.db2.gz WXFDZVDRVWERSL-UHFFFAOYSA-N 0 0 322.836 3.707 50 0 DHAARN CCN1C(=O)C2(CCCCC2)N[C@H]1c1cnc(C(C)(C)C)s1 ZINC000066739319 563947501 /nfs/dbraw/zinc/94/75/01/563947501.db2.gz XARYYUCNUHBCJD-CYBMUJFWSA-N 0 0 321.490 3.594 50 0 DHAARN C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCc2ccccc21 ZINC000008308522 563947657 /nfs/dbraw/zinc/94/76/57/563947657.db2.gz DPKCVKGFTOVJIU-LLVKDONJSA-N 0 0 318.779 3.869 50 0 DHAARN Cn1cccc1[C@H]1CCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000008313245 563947704 /nfs/dbraw/zinc/94/77/04/563947704.db2.gz RBRALQZINDIWHR-GOSISDBHSA-N 0 0 307.397 3.526 50 0 DHAARN COc1ccccc1NC(=O)CN1CCC[C@H]1c1cccs1 ZINC000008320512 563947881 /nfs/dbraw/zinc/94/78/81/563947881.db2.gz XYFLBZZLTBROFI-AWEZNQCLSA-N 0 0 316.426 3.532 50 0 DHAARN COC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1C ZINC000008330783 563948030 /nfs/dbraw/zinc/94/80/30/563948030.db2.gz FKZRCLPIKXSCSE-UHFFFAOYSA-N 0 0 303.745 3.687 50 0 DHAARN Cc1ccc2c(cccc2NC(=O)Cn2cnc3ccccc32)n1 ZINC000038488635 563948243 /nfs/dbraw/zinc/94/82/43/563948243.db2.gz KVBVVEWBYRADLM-UHFFFAOYSA-N 0 0 316.364 3.532 50 0 DHAARN Cc1ccc(F)cc1NC(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000066962570 563948321 /nfs/dbraw/zinc/94/83/21/563948321.db2.gz PAGQHTHQULTPIZ-UHFFFAOYSA-N 0 0 324.359 3.642 50 0 DHAARN COc1cccc(CNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000008379269 563948325 /nfs/dbraw/zinc/94/83/25/563948325.db2.gz SOBRHPWEQDZCCS-UHFFFAOYSA-N 0 0 324.207 3.861 50 0 DHAARN COc1cccc(CSc2nc(-c3ccccc3)cn2N)c1 ZINC000008392883 563948506 /nfs/dbraw/zinc/94/85/06/563948506.db2.gz VZJXEXRSISACRA-UHFFFAOYSA-N 0 0 311.410 3.565 50 0 DHAARN Cn1c2ccc(NC(=O)c3ccccc3)cc2nc1C(F)(F)F ZINC000008417184 563948576 /nfs/dbraw/zinc/94/85/76/563948576.db2.gz ZYMNYGUJLNIOPM-UHFFFAOYSA-N 0 0 319.286 3.844 50 0 DHAARN Cc1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000008410540 563948649 /nfs/dbraw/zinc/94/86/49/563948649.db2.gz VNHUKRRUXWXCGT-UHFFFAOYSA-N 0 0 321.380 3.507 50 0 DHAARN N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccccc1Cl ZINC000008575363 563949141 /nfs/dbraw/zinc/94/91/41/563949141.db2.gz ICJOYNVGGQILDQ-UHFFFAOYSA-N 0 0 314.728 3.524 50 0 DHAARN Cc1cc(=O)[nH]c(SCC(=O)c2ccc3ccccc3c2)n1 ZINC000067350725 563949267 /nfs/dbraw/zinc/94/92/67/563949267.db2.gz JLMARWSEXMGNDC-UHFFFAOYSA-N 0 0 310.378 3.619 50 0 DHAARN COc1ccc(NC(=O)c2ncoc2-c2ccco2)cc1Cl ZINC000008608929 563949357 /nfs/dbraw/zinc/94/93/57/563949357.db2.gz ITPLSHIIUNZMMD-UHFFFAOYSA-N 0 0 318.716 3.849 50 0 DHAARN CC(C)CCNc1nc2c(cnn2C)c(Nc2ccccc2)n1 ZINC000008616670 563949619 /nfs/dbraw/zinc/94/96/19/563949619.db2.gz NEXQBKNCNWBAMS-UHFFFAOYSA-N 0 0 310.405 3.565 50 0 DHAARN O=C(Nc1nnc(C(F)F)s1)C1(c2ccccc2)CCC1 ZINC000067551616 563949630 /nfs/dbraw/zinc/94/96/30/563949630.db2.gz GDCCZAHYXUWKSU-UHFFFAOYSA-N 0 0 309.341 3.536 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)OCc2ccc(Cl)cc2Cl)c1 ZINC000008708490 563950079 /nfs/dbraw/zinc/95/00/79/563950079.db2.gz ZLKTVMFTKIMYKK-UHFFFAOYSA-N 0 0 312.152 3.881 50 0 DHAARN Cc1csc(=O)n1CC(=O)c1sc2ccccc2c1C ZINC000172068018 563950118 /nfs/dbraw/zinc/95/01/18/563950118.db2.gz QRASUVCAOYIFTE-UHFFFAOYSA-N 0 0 303.408 3.624 50 0 DHAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc2ccccc2n1 ZINC000008718969 563950166 /nfs/dbraw/zinc/95/01/66/563950166.db2.gz XPKDFBLNWSMRHG-CYBMUJFWSA-N 0 0 306.365 3.734 50 0 DHAARN C[C@H](Sc1ncccc1Cl)C(=O)NCc1cccs1 ZINC000008726504 563950175 /nfs/dbraw/zinc/95/01/75/563950175.db2.gz PONFYPYRJBQOCL-VIFPVBQESA-N 0 0 312.847 3.594 50 0 DHAARN O=C(Nc1nc(-c2cccc(Br)c2)cs1)C1CC1 ZINC000008718274 563950198 /nfs/dbraw/zinc/95/01/98/563950198.db2.gz TWFXVEINELRKNH-UHFFFAOYSA-N 0 0 323.215 3.921 50 0 DHAARN CCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000008748193 563950367 /nfs/dbraw/zinc/95/03/67/563950367.db2.gz JFQUFRQVCKTHCP-UHFFFAOYSA-N 0 0 321.377 3.646 50 0 DHAARN CCc1nnc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000008734035 563950402 /nfs/dbraw/zinc/95/04/02/563950402.db2.gz QUOWYRVAQCONQK-DKHPWKACSA-N 0 0 319.474 3.633 50 0 DHAARN Cc1ncc(C(=O)N(C)CCCc2ccccc2)c(C(C)C)n1 ZINC000172102366 563950407 /nfs/dbraw/zinc/95/04/07/563950407.db2.gz RSKNCRIEPXPIDN-UHFFFAOYSA-N 0 0 311.429 3.613 50 0 DHAARN O=C(CCc1cccc(OC2CCCC2)c1)NCc1cccnc1 ZINC000067899679 563950525 /nfs/dbraw/zinc/95/05/25/563950525.db2.gz CAWSXSNYDGASFR-UHFFFAOYSA-N 0 0 324.424 3.652 50 0 DHAARN CC(C)n1ncc2cc(NC(=O)C3(c4ccccc4)CC3)cnc21 ZINC000008749972 563950569 /nfs/dbraw/zinc/95/05/69/563950569.db2.gz ASYCMVBHHVQCDM-UHFFFAOYSA-N 0 0 320.396 3.683 50 0 DHAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc2ccccc2o1 ZINC000008751872 563950608 /nfs/dbraw/zinc/95/06/08/563950608.db2.gz NOSGWJLLQYKHAH-UHFFFAOYSA-N 0 0 320.348 3.577 50 0 DHAARN O=C(CCc1ccccc1O)NCc1ccc(C(F)(F)F)cc1 ZINC000008777642 563950823 /nfs/dbraw/zinc/95/08/23/563950823.db2.gz YJRUGQRFRWIJLJ-UHFFFAOYSA-N 0 0 323.314 3.660 50 0 DHAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccnc1 ZINC000008780125 563950845 /nfs/dbraw/zinc/95/08/45/563950845.db2.gz LBDOMLCZBKFCQP-UHFFFAOYSA-N 0 0 313.357 3.525 50 0 DHAARN CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000068708943 563951172 /nfs/dbraw/zinc/95/11/72/563951172.db2.gz VEVRPWOVEZKKPT-CZUORRHYSA-N 0 0 320.408 3.873 50 0 DHAARN CC1(C)CC[C@@H](N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 ZINC000069097127 563951656 /nfs/dbraw/zinc/95/16/56/563951656.db2.gz OKLBIPYPDOARPN-QZTJIDSGSA-N 0 0 308.425 3.615 50 0 DHAARN CCCC(=O)Nc1ccc2c(c1)N(CCC)C(=O)C(C)(C)CO2 ZINC000008959642 563951694 /nfs/dbraw/zinc/95/16/94/563951694.db2.gz NQTPGKULTTZHDH-UHFFFAOYSA-N 0 0 318.417 3.587 50 0 DHAARN Cc1c(C)n(Cc2ccccn2)c2ncnc(NCC(C)C)c12 ZINC000008993189 563951972 /nfs/dbraw/zinc/95/19/72/563951972.db2.gz IBIBMYPGHMRDED-UHFFFAOYSA-N 0 0 309.417 3.559 50 0 DHAARN Cc1c(NC(=O)N2CCCC2)cccc1OCC(F)(F)F ZINC000069223987 563952046 /nfs/dbraw/zinc/95/20/46/563952046.db2.gz KEOFLTHGSIJBAY-UHFFFAOYSA-N 0 0 302.296 3.564 50 0 DHAARN CO[C@@H](CNC(=O)c1ccccc1C)c1cc2ccccc2o1 ZINC000245180703 563952081 /nfs/dbraw/zinc/95/20/81/563952081.db2.gz ZHIDZXAQEGPOFP-SFHVURJKSA-N 0 0 309.365 3.859 50 0 DHAARN CC(C)[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000009058143 563952082 /nfs/dbraw/zinc/95/20/82/563952082.db2.gz HEQYLLSDPDVGEY-LBPRGKRZSA-N 0 0 316.426 3.775 50 0 DHAARN CCCCc1cc(NC(=O)Cc2csc(C(C)C)n2)n[nH]1 ZINC000069306519 563952216 /nfs/dbraw/zinc/95/22/16/563952216.db2.gz GZOJEDDOZMQAMW-UHFFFAOYSA-N 0 0 306.435 3.513 50 0 DHAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C)nn1C ZINC000069351282 563952364 /nfs/dbraw/zinc/95/23/64/563952364.db2.gz YAKUJQDOSZNSOC-DLBZAZTESA-N 0 0 311.429 3.527 50 0 DHAARN C/C=C/C=C/C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000069370924 563952499 /nfs/dbraw/zinc/95/24/99/563952499.db2.gz DZUWDFIIQWBNRW-MQQKCMAXSA-N 0 0 305.805 3.594 50 0 DHAARN CC(=O)Nc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000009114804 563952538 /nfs/dbraw/zinc/95/25/38/563952538.db2.gz AGDSJGLYQPRBQV-LBPRGKRZSA-N 0 0 322.368 3.868 50 0 DHAARN 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310.825 3.929 50 0 DHAARN Cn1nc(-c2cccs2)cc1C(=O)Nc1cccc2[nH]ccc21 ZINC000095472453 185372732 /nfs/dbraw/zinc/37/27/32/185372732.db2.gz LQVVBUFMKLLGPU-UHFFFAOYSA-N 0 0 322.393 3.882 50 0 DHAARN COc1ccccc1CC(=O)Nc1ccc2[nH]c(C3CC3)nc2c1 ZINC000095472977 185372819 /nfs/dbraw/zinc/37/28/19/185372819.db2.gz OATFDGLSKWZAQG-UHFFFAOYSA-N 0 0 321.380 3.630 50 0 DHAARN CN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095507167 185375673 /nfs/dbraw/zinc/37/56/73/185375673.db2.gz YTQOACOYHLFCQR-CYBMUJFWSA-N 0 0 316.323 3.738 50 0 DHAARN CCCc1cnc(C)nc1C[C@@H]1COc2cc(OC)ccc2C1 ZINC000095529091 185378519 /nfs/dbraw/zinc/37/85/19/185378519.db2.gz UDAAZTURZFSFJH-CQSZACIVSA-N 0 0 312.413 3.540 50 0 DHAARN CCOC(=O)c1ccc(OC(=O)/C=C\c2ccccc2F)cc1 ZINC000096600732 185384305 /nfs/dbraw/zinc/38/43/05/185384305.db2.gz YTUAWSVYKXWGGC-XFXZXTDPSA-N 0 0 314.312 3.621 50 0 DHAARN CCOC(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1 ZINC000095705246 185383155 /nfs/dbraw/zinc/38/31/55/185383155.db2.gz SSRXDQAQOCIAFY-UHFFFAOYSA-N 0 0 322.386 3.820 50 0 DHAARN Cc1csc(NC(=O)/C=C\c2cccc(Br)c2)n1 ZINC000096620099 185384614 /nfs/dbraw/zinc/38/46/14/185384614.db2.gz YTYMOHSSONANFH-WAYWQWQTSA-N 0 0 323.215 3.866 50 0 DHAARN COc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1O ZINC000096662853 185385238 /nfs/dbraw/zinc/38/52/38/185385238.db2.gz GOUGPEAKCWATNI-GHXNOFRVSA-N 0 0 301.729 3.547 50 0 DHAARN O=S(=O)(/C=C\c1ccccc1)Nc1ccc(F)cc1Cl ZINC000096747849 185386236 /nfs/dbraw/zinc/38/62/36/185386236.db2.gz ZPCFLUDKJLGJHC-HJWRWDBZSA-N 0 0 311.765 3.892 50 0 DHAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(O)c1 ZINC000096759107 185386688 /nfs/dbraw/zinc/38/66/88/185386688.db2.gz IWUZQLLDUPQHCK-MDWZMJQESA-N 0 0 324.405 3.725 50 0 DHAARN O=C(NCC[C@H](O)c1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000077111163 185109908 /nfs/dbraw/zinc/10/99/08/185109908.db2.gz DUAVNSHOSVIMIU-SFHVURJKSA-N 0 0 321.376 3.800 50 0 DHAARN Cc1nc2ccccc2n1CCNc1nc2cc(C)ccc2o1 ZINC000078813347 185113431 /nfs/dbraw/zinc/11/34/31/185113431.db2.gz FBXBZPPRCSMDHY-UHFFFAOYSA-N 0 0 306.369 3.906 50 0 DHAARN Cc1nc(CSc2nnc(OC(C)C)s2)sc1C ZINC000078879650 185121893 /nfs/dbraw/zinc/12/18/93/185121893.db2.gz YZCUCFZJTSXOGR-UHFFFAOYSA-N 0 0 301.462 3.691 50 0 DHAARN O=c1ccn(Cc2ncc(-c3cccs3)o2)c2ccsc21 ZINC000078986900 185140930 /nfs/dbraw/zinc/14/09/30/185140930.db2.gz HCRMREFECWJVKQ-UHFFFAOYSA-N 0 0 314.391 3.828 50 0 DHAARN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cccn1C ZINC000079000981 185144626 /nfs/dbraw/zinc/14/46/26/185144626.db2.gz VVCMAMUKRAXBNB-UHFFFAOYSA-N 0 0 319.408 3.571 50 0 DHAARN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(OC2CCCC2)CC1 ZINC000079040061 185148109 /nfs/dbraw/zinc/14/81/09/185148109.db2.gz RRVIUTSZSUFNAX-CRAIPNDOSA-N 0 0 323.477 3.532 50 0 DHAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ccccn1 ZINC000079297785 185163697 /nfs/dbraw/zinc/16/36/97/185163697.db2.gz UVGZZHMFDFAYLG-ZDUSSCGKSA-N 0 0 302.805 3.887 50 0 DHAARN O=C(C[C@H]1CC(=O)Oc2ccccc21)Nc1ccc2cc[nH]c2c1 ZINC000079193632 185161270 /nfs/dbraw/zinc/16/12/70/185161270.db2.gz YPFVYNZCGUMOFU-ZDUSSCGKSA-N 0 0 320.348 3.589 50 0 biogenic DHAARN O=C(CCc1ccc2c(c1)CCO2)Nc1cccc2[nH]ccc21 ZINC000079190236 185161397 /nfs/dbraw/zinc/16/13/97/185161397.db2.gz LDYMXMUEAYAGOA-UHFFFAOYSA-N 0 0 306.365 3.674 50 0 biogenic DHAARN CN(C(=O)/C=C\c1ccc(-n2ccnc2)cc1)c1ccccc1 ZINC000096840964 185389306 /nfs/dbraw/zinc/38/93/06/185389306.db2.gz DPZYXXHMEHSHJW-XFXZXTDPSA-N 0 0 303.365 3.549 50 0 DHAARN CCc1noc(C)c1C(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000079356482 185166495 /nfs/dbraw/zinc/16/64/95/185166495.db2.gz OFTZBIVNFYJGCW-LLVKDONJSA-N 0 0 304.365 3.908 50 0 DHAARN COc1ccc(CN(C)C(=O)/C=C\c2ccccc2C)cc1F ZINC000096852204 185389655 /nfs/dbraw/zinc/38/96/55/185389655.db2.gz FUHXBVOIVGSZPP-LUAWRHEFSA-N 0 0 313.372 3.815 50 0 DHAARN CCc1nnc(CN2CCC[C@H](c3ccc(F)cc3)CC2)o1 ZINC000328587104 231231779 /nfs/dbraw/zinc/23/17/79/231231779.db2.gz YYSJZRIZLADZBI-ZDUSSCGKSA-N 0 0 303.381 3.541 50 0 DHAARN CCc1onc(C)c1NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000328593591 231233753 /nfs/dbraw/zinc/23/37/53/231233753.db2.gz MLNHTVCRNVBJKK-ZDUSSCGKSA-N 0 0 323.437 3.604 50 0 DHAARN CCOc1ncccc1-c1noc(C2CCC(F)(F)CC2)n1 ZINC000328593794 231233825 /nfs/dbraw/zinc/23/38/25/231233825.db2.gz JYTFZAQAVPJEBL-UHFFFAOYSA-N 0 0 309.316 3.823 50 0 DHAARN COc1ccc(NC(=O)/C=C\Sc2ccccc2)cc1OC ZINC000096911715 185391204 /nfs/dbraw/zinc/39/12/04/185391204.db2.gz UBMSHLZECNZQGU-KHPPLWFESA-N 0 0 315.394 3.948 50 0 DHAARN CCc1ccc(C(=O)N[C@H](c2cccc(C)n2)C2CC2)s1 ZINC000299798799 529608658 /nfs/dbraw/zinc/60/86/58/529608658.db2.gz VXOGNMDDKYSPHN-INIZCTEOSA-N 0 0 300.427 3.895 50 0 DHAARN O=C(/C=C\c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000096940790 185393252 /nfs/dbraw/zinc/39/32/52/185393252.db2.gz ANMBOUFLFLPTES-UTCJRWHESA-N 0 0 303.814 4.000 50 0 DHAARN Cc1nc(/C=C\C(=O)N2CCc3[nH]c4ccccc4c3C2)cs1 ZINC000096940901 185393293 /nfs/dbraw/zinc/39/32/93/185393293.db2.gz OUTZELOMAGMIQX-SREVYHEPSA-N 0 0 323.421 3.531 50 0 DHAARN Cc1nc2n(n1)CCC[C@H]2N[C@H]1C[C@H](C)Sc2sccc21 ZINC000090227312 185287534 /nfs/dbraw/zinc/28/75/34/185287534.db2.gz YLAKEFZLIBJFOP-BIMULSAOSA-N 0 0 320.487 3.698 50 0 DHAARN O=C(Nc1cccc(-c2cnc3n2CCC3)c1)[C@@H]1CC=CCC1 ZINC000090607223 185306300 /nfs/dbraw/zinc/30/63/00/185306300.db2.gz POYMGYQWAWSGQG-CQSZACIVSA-N 0 0 307.397 3.791 50 0 DHAARN CCc1ocnc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000082107876 192356689 /nfs/dbraw/zinc/35/66/89/192356689.db2.gz PRPCYHIERNMHMZ-MRXNPFEDSA-N 0 0 312.413 3.865 50 0 DHAARN O=C(c1ccoc1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612378 185306622 /nfs/dbraw/zinc/30/66/22/185306622.db2.gz SFSZQQXTGHYBRN-UHFFFAOYSA-N 0 0 301.367 3.819 50 0 DHAARN O=C(CC1CCCC1)Nc1cc(-n2ccc3ccccc32)ncn1 ZINC000090614286 185306969 /nfs/dbraw/zinc/30/69/69/185306969.db2.gz VSDMLNPXFSBTHH-UHFFFAOYSA-N 0 0 320.396 3.939 50 0 DHAARN CCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000002744361 190616569 /nfs/dbraw/zinc/61/65/69/190616569.db2.gz ABENQIRYPGZPRE-UHFFFAOYSA-N 0 0 311.204 3.921 50 0 DHAARN O=C(COc1ccccc1Cl)Nc1ccc2c(c1)CCC2 ZINC000003514876 190618236 /nfs/dbraw/zinc/61/82/36/190618236.db2.gz XEKBAZPUMJKCAV-UHFFFAOYSA-N 0 0 301.773 3.846 50 0 DHAARN S=C(NCCOc1ccccc1Cl)Nc1ccccc1 ZINC000004622785 190619619 /nfs/dbraw/zinc/61/96/19/190619619.db2.gz PULFXKXHJNFKID-UHFFFAOYSA-N 0 0 306.818 3.705 50 0 DHAARN CC[C@@H](NC(=O)CCc1scnc1C)c1nc(C)c(C)s1 ZINC000082120076 192358151 /nfs/dbraw/zinc/35/81/51/192358151.db2.gz HPIJCLWOIJKOEB-GFCCVEGCSA-N 0 0 323.487 3.725 50 0 DHAARN Cc1ccccc1-c1noc(-c2cc3ccccc3oc2=O)n1 ZINC000006868005 190625599 /nfs/dbraw/zinc/62/55/99/190625599.db2.gz CLSBBDXAAFCPSN-UHFFFAOYSA-N 0 0 304.305 3.818 50 0 DHAARN CC(C)(C)c1ccc(OCCNC(=O)/C=C\c2ccncc2)cc1 ZINC000096993784 185395434 /nfs/dbraw/zinc/39/54/34/185395434.db2.gz UIJNKUNQKKRTRG-WTKPLQERSA-N 0 0 324.424 3.588 50 0 DHAARN C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(F)cn1 ZINC000092738929 185337789 /nfs/dbraw/zinc/33/77/89/185337789.db2.gz SIXDKNCJHPEEEN-ZDUSSCGKSA-N 0 0 315.392 3.788 50 0 DHAARN Cc1nccn1CCCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000095392401 185351823 /nfs/dbraw/zinc/35/18/23/185351823.db2.gz PCVZQYKMRPIBED-SFHVURJKSA-N 0 0 311.429 3.508 50 0 DHAARN C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 ZINC000095396327 185352955 /nfs/dbraw/zinc/35/29/55/185352955.db2.gz DKTFZDJUOGKNNR-NUJGCVRESA-N 0 0 300.446 3.832 50 0 DHAARN CCCC[S@@](=O)Cc1ccc(OC)c(Br)c1 ZINC000095410038 185356903 /nfs/dbraw/zinc/35/69/03/185356903.db2.gz MIZMNEXMJXSGER-INIZCTEOSA-N 0 0 305.237 3.507 50 0 DHAARN CN(C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)C1CCC1 ZINC000095411629 185357439 /nfs/dbraw/zinc/35/74/39/185357439.db2.gz DTCZOYXPHVEPFY-OAHLLOKOSA-N 0 0 300.402 3.627 50 0 DHAARN CC(=O)Nc1ccc(C)cc1OCc1nc2cc(F)ccc2o1 ZINC000095411461 185357525 /nfs/dbraw/zinc/35/75/25/185357525.db2.gz BICJIHLLMIJULO-UHFFFAOYSA-N 0 0 314.316 3.813 50 0 DHAARN CCSc1ccccc1OC(=O)c1nc(C)n2c1CCCC2 ZINC000095412719 185358090 /nfs/dbraw/zinc/35/80/90/185358090.db2.gz VQLWFRLWWJJEJA-UHFFFAOYSA-N 0 0 316.426 3.859 50 0 DHAARN CCCOc1cc(F)ccc1NC(=O)Nc1c(C)n[nH]c1C ZINC000095413893 185358228 /nfs/dbraw/zinc/35/82/28/185358228.db2.gz GENLBCZZBVOLFL-UHFFFAOYSA-N 0 0 306.341 3.598 50 0 DHAARN CCc1cnc(CSCc2cc(F)cc3c2OCOC3)o1 ZINC000095414556 185358447 /nfs/dbraw/zinc/35/84/47/185358447.db2.gz COHSZEFDTJSESU-UHFFFAOYSA-N 0 0 309.362 3.676 50 0 DHAARN CCc1cnc(CSCc2cc(C(C)=O)ccc2OC)o1 ZINC000095414545 185358518 /nfs/dbraw/zinc/35/85/18/185358518.db2.gz AIAVKAKANXRDMI-UHFFFAOYSA-N 0 0 305.399 3.882 50 0 DHAARN CN(CCOc1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000095415894 185359177 /nfs/dbraw/zinc/35/91/77/185359177.db2.gz BLALVLWVCGFEJM-UHFFFAOYSA-N 0 0 320.311 3.816 50 0 DHAARN Cc1cnc(CNc2ccccc2NC(=O)c2cccs2)o1 ZINC000095418381 185359580 /nfs/dbraw/zinc/35/95/80/185359580.db2.gz GPDCOSIYEIYGKB-UHFFFAOYSA-N 0 0 313.382 3.909 50 0 DHAARN C[C@@H](NCc1cccnc1)c1cc(Br)ccc1F ZINC000095419066 185359796 /nfs/dbraw/zinc/35/97/96/185359796.db2.gz WJAWHSINRAYZEX-SNVBAGLBSA-N 0 0 309.182 3.834 50 0 DHAARN CC(C)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000095410314 185357192 /nfs/dbraw/zinc/35/71/92/185357192.db2.gz DKVLVPWTCRYETJ-UHFFFAOYSA-N 0 0 305.399 3.703 50 0 DHAARN c1nc(CNc2cccc(-c3cn4c(n3)CCCC4)c2)cs1 ZINC000095428795 185362325 /nfs/dbraw/zinc/36/23/25/185362325.db2.gz FRMMYSAQOYYCBF-UHFFFAOYSA-N 0 0 310.426 3.955 50 0 DHAARN CCc1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc(C)n1 ZINC000097002829 185396418 /nfs/dbraw/zinc/39/64/18/185396418.db2.gz SNEIKQGOBJIVBN-GHMZBOCLSA-N 0 0 315.339 3.655 50 0 DHAARN CCC(CC)NC(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000013984436 190639223 /nfs/dbraw/zinc/63/92/23/190639223.db2.gz DGSPXQGQADASNY-UHFFFAOYSA-N 0 0 320.414 3.820 50 0 DHAARN O=C(CC1(O)CCCC1)Nc1cccc(NC2CCCC2)c1 ZINC000095431887 185363391 /nfs/dbraw/zinc/36/33/91/185363391.db2.gz DXDNRVQYXYEPFP-UHFFFAOYSA-N 0 0 302.418 3.675 50 0 DHAARN Cc1nc(CNC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)oc1C ZINC000095434388 185364477 /nfs/dbraw/zinc/36/44/77/185364477.db2.gz STCXTPSINCTZNT-MEDUHNTESA-N 0 0 313.401 3.729 50 0 DHAARN C[C@H]1CCN(C(=O)CCCSC(C)(C)C)C[C@@H]1n1ccnc1 ZINC000095436203 185364812 /nfs/dbraw/zinc/36/48/12/185364812.db2.gz CKIQXHIHUYRKBJ-GJZGRUSLSA-N 0 0 323.506 3.605 50 0 DHAARN Fc1ccc(Cl)cc1CNc1cccc(Cn2cnnc2)c1 ZINC000095435702 185364933 /nfs/dbraw/zinc/36/49/33/185364933.db2.gz RTEGPVITHPCQFD-UHFFFAOYSA-N 0 0 316.767 3.731 50 0 DHAARN Cc1ccc2c(c1)OCCC[C@H]2NCc1cn2ccsc2n1 ZINC000095421015 185360491 /nfs/dbraw/zinc/36/04/91/185360491.db2.gz DKDYGUPFDBDFQO-OAHLLOKOSA-N 0 0 313.426 3.708 50 0 DHAARN CCS[C@H]1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000097009923 185396762 /nfs/dbraw/zinc/39/67/62/185396762.db2.gz FNKUWKAHQFSFBK-PLENUKSMSA-N 0 0 307.503 3.993 50 0 DHAARN O=C(Cc1ccco1)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000095447842 185368068 /nfs/dbraw/zinc/36/80/68/185368068.db2.gz VHUNPKSBJCHVFX-SFHVURJKSA-N 0 0 311.312 3.689 50 0 DHAARN Cc1csc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000095448625 185368546 /nfs/dbraw/zinc/36/85/46/185368546.db2.gz ZWZRKHDBRVMLKQ-ZIAGYGMSSA-N 0 0 317.458 3.677 50 0 DHAARN CSc1cc(NC(=O)CCc2cccc(F)c2F)ccn1 ZINC000095452258 185369252 /nfs/dbraw/zinc/36/92/52/185369252.db2.gz HDOZJCXBTZFUMG-UHFFFAOYSA-N 0 0 308.353 3.653 50 0 DHAARN O=C([O-])CCCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000181556308 199316800 /nfs/dbraw/zinc/31/68/00/199316800.db2.gz RKUTXFGZFNFANE-KRWDZBQOSA-N 0 0 300.402 3.950 50 0 DHAARN C[C@@H](NC(=O)Nc1cn(C)nc1-c1ccccc1)c1ccccc1 ZINC000095460771 185371000 /nfs/dbraw/zinc/37/10/00/185371000.db2.gz ZEIXZLMFFNIMCV-CQSZACIVSA-N 0 0 320.396 3.970 50 0 DHAARN CC(C)c1ccc(NC(=O)[C@H]2CSC(=O)N2)c(C(C)C)c1 ZINC000097010847 185396948 /nfs/dbraw/zinc/39/69/48/185396948.db2.gz AFLHFYWGRRIZKJ-CQSZACIVSA-N 0 0 306.431 3.697 50 0 DHAARN CSCc1cccc(NC(=O)N[C@H](C)C2CCOCC2)c1C ZINC000097016032 185397668 /nfs/dbraw/zinc/39/76/68/185397668.db2.gz XDJQMSXXOJPWDC-CYBMUJFWSA-N 0 0 322.474 3.795 50 0 DHAARN COc1cccc([C@H](C)N(Cc2ccncc2)c2cnn(C)c2)c1 ZINC000097020561 185398275 /nfs/dbraw/zinc/39/82/75/185398275.db2.gz YZPCMEAFHIMCDS-HNNXBMFYSA-N 0 0 322.412 3.592 50 0 DHAARN C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)[C@H]1CCO[C@H]1C ZINC000097021154 185398338 /nfs/dbraw/zinc/39/83/38/185398338.db2.gz WXNXNMUEGAZUCA-DYFPCYEQSA-N 0 0 322.348 3.572 50 0 DHAARN O=C(NCCCCC(F)(F)F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000225502350 201722604 /nfs/dbraw/zinc/72/26/04/201722604.db2.gz FMPQBXJYCMWBPG-GDBMZVCRSA-N 0 0 311.347 3.739 50 0 DHAARN O=C(Cc1ccccc1)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000169773699 197752548 /nfs/dbraw/zinc/75/25/48/197752548.db2.gz QCTHKQTWXKOCHF-GOSISDBHSA-N 0 0 304.393 3.904 50 0 DHAARN FC(F)Oc1ccc(OC(F)(F)F)c(Br)c1 ZINC000225761513 201742793 /nfs/dbraw/zinc/74/27/93/201742793.db2.gz QYMXFZVXUIZQLT-UHFFFAOYSA-N 0 0 307.012 3.949 50 0 DHAARN Cc1ccc2c(c1)nc(CNC(=O)Nc1ccc(C)cc1C)n2C ZINC000170600031 197783946 /nfs/dbraw/zinc/78/39/46/197783946.db2.gz KNZCEIIQGKSJFT-UHFFFAOYSA-N 0 0 322.412 3.820 50 0 DHAARN CC(C)n1nnc2cc(C(=O)Nc3cc(F)ccc3F)ccc21 ZINC000064818433 190705883 /nfs/dbraw/zinc/70/58/83/190705883.db2.gz OKKSOCXHHYZFKE-UHFFFAOYSA-N 0 0 316.311 3.543 50 0 DHAARN Clc1ccccc1[C@H]1c2[nH]cnc2CCN1Cc1cccnc1 ZINC000067587835 190711201 /nfs/dbraw/zinc/71/12/01/190711201.db2.gz MNPVEJGRPPHNHH-SFHVURJKSA-N 0 0 324.815 3.606 50 0 DHAARN COc1ccccc1C1=NN(C(C)=O)[C@@H](c2ccc(F)cc2)C1 ZINC000170625894 197795050 /nfs/dbraw/zinc/79/50/50/197795050.db2.gz OGMXUKJKLWAVSK-QGZVFWFLSA-N 0 0 312.344 3.532 50 0 DHAARN Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000170640776 197797842 /nfs/dbraw/zinc/79/78/42/197797842.db2.gz DXDQTXRLAQUQCS-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN O=C(Nc1cccc2cccnc21)N1CCC[C@@H]1c1ccc[nH]1 ZINC000068631181 190779304 /nfs/dbraw/zinc/77/93/04/190779304.db2.gz NVDJFTLQFUKSAB-MRXNPFEDSA-N 0 0 306.369 3.932 50 0 DHAARN Cc1noc(C)c1COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000069978335 190845810 /nfs/dbraw/zinc/84/58/10/190845810.db2.gz WPQMJAIOHTUZCS-UHFFFAOYSA-N 0 0 311.341 3.798 50 0 DHAARN C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000070039771 190852172 /nfs/dbraw/zinc/85/21/72/190852172.db2.gz RYMCZISXOCMZSW-CQSZACIVSA-N 0 0 315.438 3.773 50 0 DHAARN Cc1sc(C(=O)Nc2ccnn2C)cc1-c1ccc(F)cc1 ZINC000129949305 185923862 /nfs/dbraw/zinc/92/38/62/185923862.db2.gz SMPKASBFIHLVCM-UHFFFAOYSA-N 0 0 315.373 3.848 50 0 DHAARN Cn1ccc2ccc(C(=O)NCCn3ccc4ccccc43)cc21 ZINC000070666461 190909790 /nfs/dbraw/zinc/90/97/90/190909790.db2.gz CUAKYRLEEFWSRT-UHFFFAOYSA-N 0 0 317.392 3.563 50 0 biogenic DHAARN Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC(C(C)C)CC1 ZINC000080593400 192169588 /nfs/dbraw/zinc/16/95/88/192169588.db2.gz KVBQHFUITNAQBY-UHFFFAOYSA-N 0 0 306.454 3.981 50 0 DHAARN Cc1c(C(=O)N[C@H]2CCCc3occc32)cnn1-c1ccccc1 ZINC000084045007 192396569 /nfs/dbraw/zinc/39/65/69/192396569.db2.gz MEIJHGAZSDDTNT-KRWDZBQOSA-N 0 0 321.380 3.581 50 0 DHAARN COc1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)c(O)c1 ZINC000083927861 192390747 /nfs/dbraw/zinc/39/07/47/192390747.db2.gz VWTHPQJGLKPIFO-UHFFFAOYSA-N 0 0 323.348 3.591 50 0 DHAARN O=C(C1CC1)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000071551771 190988969 /nfs/dbraw/zinc/98/89/69/190988969.db2.gz BRSCAENTKYNJTG-UHFFFAOYSA-N 0 0 317.392 3.525 50 0 DHAARN Cc1c[nH]c(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c1 ZINC000071707857 191010445 /nfs/dbraw/zinc/01/04/45/191010445.db2.gz VGKRSJCGRKHTSS-INIZCTEOSA-N 0 0 314.404 3.947 50 0 DHAARN c1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1 ZINC000084525224 192437438 /nfs/dbraw/zinc/43/74/38/192437438.db2.gz DEBFUWLYRKRGOO-UHFFFAOYSA-N 0 0 308.381 3.988 50 0 DHAARN Clc1ccc([C@@H]2CN(c3cc(C4CC4)ncn3)CCO2)cc1 ZINC000071749688 191022526 /nfs/dbraw/zinc/02/25/26/191022526.db2.gz IDFSXTCMNHICKW-INIZCTEOSA-N 0 0 315.804 3.585 50 0 DHAARN Clc1cccc2[nH]c(-c3nn4c(nnc4C4CC4)s3)cc21 ZINC000071752625 191022963 /nfs/dbraw/zinc/02/29/63/191022963.db2.gz XJEQAKVAJZIJNA-UHFFFAOYSA-N 0 0 315.789 3.865 50 0 DHAARN O=C(c1ccc[nH]1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071751769 191024056 /nfs/dbraw/zinc/02/40/56/191024056.db2.gz QOQKHRGRXXBPHL-OAHLLOKOSA-N 0 0 300.377 3.639 50 0 DHAARN Cc1nc(Cn2ccnc2-c2nc(C(C)C)cs2)cs1 ZINC000071759178 191025615 /nfs/dbraw/zinc/02/56/15/191025615.db2.gz GTXDBUMWAZIPEY-UHFFFAOYSA-N 0 0 304.444 3.943 50 0 DHAARN Cc1csc(-c2ccc(NC(=O)N3CCSCC3)cc2)n1 ZINC000071854025 191032689 /nfs/dbraw/zinc/03/26/89/191032689.db2.gz LVECJMWLPZZNOF-UHFFFAOYSA-N 0 0 319.455 3.699 50 0 DHAARN CCCc1nnc2sc([C@@H](C)Oc3cc(C)cc(C)c3)nn12 ZINC000071765301 191027144 /nfs/dbraw/zinc/02/71/44/191027144.db2.gz RNXJDCCROVSQAR-GFCCVEGCSA-N 0 0 316.430 3.895 50 0 DHAARN Cc1cccnc1C[C@H](C)n1ccnc1-c1ccc2c(c1)OCO2 ZINC000071765079 191027683 /nfs/dbraw/zinc/02/76/83/191027683.db2.gz PAPDZYVROAVCLC-AWEZNQCLSA-N 0 0 321.380 3.786 50 0 DHAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC(O)CC1 ZINC000071765428 191027779 /nfs/dbraw/zinc/02/77/79/191027779.db2.gz FFAKRKANOHKLBV-UHFFFAOYSA-N 0 0 322.408 3.760 50 0 DHAARN Cc1cc(C[S@](=O)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000071846895 191031314 /nfs/dbraw/zinc/03/13/14/191031314.db2.gz NXJUCWJZEXYEQO-SFHVURJKSA-N 0 0 304.198 3.739 50 0 DHAARN O=C1C[C@@H](c2cc(F)ccc2F)c2cnn(C3CCCC3)c2N1 ZINC000072117851 191038946 /nfs/dbraw/zinc/03/89/46/191038946.db2.gz FMDCVGVBFWSPDN-LBPRGKRZSA-N 0 0 317.339 3.751 50 0 DHAARN CC1(C)C[C@@H](NC(=O)Cc2cccs2)c2ccccc2O1 ZINC000072117282 191039404 /nfs/dbraw/zinc/03/94/04/191039404.db2.gz XJQWSQZWDSIHQN-CQSZACIVSA-N 0 0 301.411 3.709 50 0 DHAARN c1cc2nc(-c3ccccc3)cc(NCCC[C@H]3CCOC3)n2n1 ZINC000072125691 191042318 /nfs/dbraw/zinc/04/23/18/191042318.db2.gz JUTGUYFXDYJEQK-HNNXBMFYSA-N 0 0 322.412 3.625 50 0 DHAARN CC(C)OCC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000072151814 191056092 /nfs/dbraw/zinc/05/60/92/191056092.db2.gz QMDNMEHZDHWRJR-GOSISDBHSA-N 0 0 318.461 3.638 50 0 DHAARN COc1ccnc(CN2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000072152395 191057298 /nfs/dbraw/zinc/05/72/98/191057298.db2.gz FOULJEWZJKOGOI-GOSISDBHSA-N 0 0 300.377 3.957 50 0 DHAARN CCCc1cc(Cn2ccnc2-c2ccc(F)c(F)c2F)on1 ZINC000072152111 191057685 /nfs/dbraw/zinc/05/76/85/191057685.db2.gz OUFOWSBXRHLSDQ-UHFFFAOYSA-N 0 0 321.302 3.956 50 0 DHAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc2ccnn21 ZINC000072165208 191064869 /nfs/dbraw/zinc/06/48/69/191064869.db2.gz ULHGDSCIFQOYIC-KRWDZBQOSA-N 0 0 305.381 3.620 50 0 DHAARN c1csc(-c2ncc(CN3CCC[C@H]3c3ccccn3)cn2)c1 ZINC000072166423 191065912 /nfs/dbraw/zinc/06/59/12/191065912.db2.gz KYRDNRWGBKRYON-INIZCTEOSA-N 0 0 322.437 3.937 50 0 DHAARN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC2 ZINC000072234003 191078857 /nfs/dbraw/zinc/07/88/57/191078857.db2.gz ZISBSXXNUUXZAY-SFHVURJKSA-N 0 0 323.440 3.503 50 0 DHAARN O=C(NCCSc1ccccc1)c1cc(-c2ccccc2)on1 ZINC000072238597 191082082 /nfs/dbraw/zinc/08/20/82/191082082.db2.gz RYIYGBLGBNDEQE-UHFFFAOYSA-N 0 0 324.405 3.864 50 0 DHAARN Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000072242545 191086063 /nfs/dbraw/zinc/08/60/63/191086063.db2.gz YYGSCBMEODLJSP-MRXNPFEDSA-N 0 0 321.380 3.647 50 0 DHAARN O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCCCCC1 ZINC000072243387 191086335 /nfs/dbraw/zinc/08/63/35/191086335.db2.gz WKPATXCWUZMUAA-UHFFFAOYSA-N 0 0 311.307 3.598 50 0 DHAARN Cc1c2cc(C)ccc2oc1C(=O)NCC[C@H](O)C(C)(C)C ZINC000072243161 191086432 /nfs/dbraw/zinc/08/64/32/191086432.db2.gz JBUWSSCPFVXPIX-HNNXBMFYSA-N 0 0 303.402 3.577 50 0 DHAARN C[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000072243326 191086484 /nfs/dbraw/zinc/08/64/84/191086484.db2.gz WMFFGSSIZIUJOL-OKILXGFUSA-N 0 0 313.372 3.742 50 0 DHAARN CCCCC(=O)NCc1nc(-c2ccc(OC)cc2)cs1 ZINC000072264938 191089375 /nfs/dbraw/zinc/08/93/75/191089375.db2.gz HFDLZPGVGFFTHC-UHFFFAOYSA-N 0 0 304.415 3.625 50 0 DHAARN CC[C@H](C)C(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 ZINC000072264891 191090025 /nfs/dbraw/zinc/09/00/25/191090025.db2.gz ZHBFMBGLPGAXAC-LBPRGKRZSA-N 0 0 318.442 3.524 50 0 DHAARN O=C(CCc1ccccc1F)N(Cc1ccco1)c1ccccn1 ZINC000072281267 191101329 /nfs/dbraw/zinc/10/13/29/191101329.db2.gz WYWMLOMADXTQDY-UHFFFAOYSA-N 0 0 324.355 3.980 50 0 DHAARN Cc1csc([C@H]2CCCCN2C(=O)c2ccn(C(C)C)n2)n1 ZINC000072281651 191102533 /nfs/dbraw/zinc/10/25/33/191102533.db2.gz VEJYNNSDTUHTTE-CQSZACIVSA-N 0 0 318.446 3.596 50 0 DHAARN Cc1cnc([C@H](NC(=O)c2cc(F)ccc2C)C2CC2)s1 ZINC000072296830 191111650 /nfs/dbraw/zinc/11/16/50/191111650.db2.gz WKPRFAGYQQYZDI-CQSZACIVSA-N 0 0 304.390 3.780 50 0 DHAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccccc1Cl ZINC000225597124 186281534 /nfs/dbraw/zinc/28/15/34/186281534.db2.gz RPJYDIHHWBLANG-LBPRGKRZSA-N 0 0 315.800 3.636 50 0 DHAARN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc3c(c2)CCO3)cc1C ZINC000225604239 186282082 /nfs/dbraw/zinc/28/20/82/186282082.db2.gz VJJRDTDNXQNCIP-HNNXBMFYSA-N 0 0 324.424 3.991 50 0 DHAARN O=C(/C=C/c1ccccc1)NCC[C@@H](O)c1cccc(Cl)c1 ZINC000225607808 186282869 /nfs/dbraw/zinc/28/28/69/186282869.db2.gz CYRROHMHYSQCCI-OAGJVSPASA-N 0 0 315.800 3.593 50 0 DHAARN O=C(OCc1cc(-c2cccc(F)c2)on1)[C@H]1CC=CCC1 ZINC000225621024 186284351 /nfs/dbraw/zinc/28/43/51/186284351.db2.gz SCDVYDAOBAGUOY-LBPRGKRZSA-N 0 0 301.317 3.880 50 0 DHAARN O=C(NCc1cncc(-c2cccs2)c1)NC1CCCC1 ZINC000225668022 186287966 /nfs/dbraw/zinc/28/79/66/186287966.db2.gz IJCOCBWQLXVTBG-UHFFFAOYSA-N 0 0 301.415 3.552 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](CC(C)C)n2cccc2)cc1 ZINC000253413587 186310485 /nfs/dbraw/zinc/31/04/85/186310485.db2.gz VEDDOYBCTGWBBJ-QGZVFWFLSA-N 0 0 313.401 3.672 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCCC[C@H]1Cc1ccccc1 ZINC000253393727 186303397 /nfs/dbraw/zinc/30/33/97/186303397.db2.gz BDSJNAIMWTTYQG-INIZCTEOSA-N 0 0 310.397 3.789 50 0 DHAARN C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccccc1Br ZINC000072302699 191117055 /nfs/dbraw/zinc/11/70/55/191117055.db2.gz RMKPPONDOGSKDM-HTQZYQBOSA-N 0 0 324.140 3.825 50 0 DHAARN C[C@H]1CCC[C@H](C)N1C(=O)CN(Cc1ccccc1)CC(F)F ZINC000072308844 191118819 /nfs/dbraw/zinc/11/88/19/191118819.db2.gz KVBJSXZBRISBGO-GJZGRUSLSA-N 0 0 324.415 3.543 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000000029932 180671257 /nfs/dbraw/zinc/67/12/57/180671257.db2.gz NSPCVNMBGSKNTO-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN O=C(Nc1cccnc1Oc1ccc2c(c1)NC(=O)CC2)C1CC1 ZINC000072406500 191153087 /nfs/dbraw/zinc/15/30/87/191153087.db2.gz ITCFBGQVJFDAQC-UHFFFAOYSA-N 0 0 323.352 3.757 50 0 DHAARN Fc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)nc1 ZINC000072407194 191153191 /nfs/dbraw/zinc/15/31/91/191153191.db2.gz VPKNAZONPOVNCN-UHFFFAOYSA-N 0 0 319.343 3.771 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)CCC2 ZINC000000038699 180674971 /nfs/dbraw/zinc/67/49/71/180674971.db2.gz PZJBMLYFCSPTSA-UHFFFAOYSA-N 0 0 315.394 3.584 50 0 DHAARN CC(=O)Oc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000049671 180678230 /nfs/dbraw/zinc/67/82/30/180678230.db2.gz IURKIKPUKIPAKW-UHFFFAOYSA-N 0 0 303.745 3.826 50 0 DHAARN COc1cccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)c1 ZINC000072404187 191151683 /nfs/dbraw/zinc/15/16/83/191151683.db2.gz SCSYYVIIDDUJKF-OAHLLOKOSA-N 0 0 323.352 3.657 50 0 DHAARN CN(C)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000073161 180684123 /nfs/dbraw/zinc/68/41/23/180684123.db2.gz ITSKXAGRFVPYQO-UHFFFAOYSA-N 0 0 309.321 3.520 50 0 DHAARN CCc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000000097622 180691287 /nfs/dbraw/zinc/69/12/87/180691287.db2.gz KFBWGTIKFJKOAO-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN O=C(c1cccc(-c2ccco2)c1)N1CCC(c2ncc[nH]2)CC1 ZINC000072425499 191159799 /nfs/dbraw/zinc/15/97/99/191159799.db2.gz FQLILOLXYARYGK-UHFFFAOYSA-N 0 0 321.380 3.690 50 0 DHAARN Cc1cc2nc(-c3ccccc3)cc(NCc3ccncc3)n2n1 ZINC000072423969 191160470 /nfs/dbraw/zinc/16/04/70/191160470.db2.gz USIWVENJBNXEOE-UHFFFAOYSA-N 0 0 315.380 3.712 50 0 DHAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)c(C)c1 ZINC000072427498 191161982 /nfs/dbraw/zinc/16/19/82/191161982.db2.gz RQYRIEVAPQSZGK-UHFFFAOYSA-N 0 0 307.353 3.651 50 0 DHAARN COCc1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000000114803 180697056 /nfs/dbraw/zinc/69/70/56/180697056.db2.gz NECKTFHSDBCGOY-UHFFFAOYSA-N 0 0 320.186 3.848 50 0 DHAARN COc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1 ZINC000000135666 180704448 /nfs/dbraw/zinc/70/44/48/180704448.db2.gz YVJMAMMDKUHGQD-SFHVURJKSA-N 0 0 304.349 3.703 50 0 DHAARN CC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000000141352 180706152 /nfs/dbraw/zinc/70/61/52/180706152.db2.gz ZRURCULELYTRNR-UHFFFAOYSA-N 0 0 301.198 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Cc1cccc(-c2nc3cc(NC(=O)[C@@H]4CCCO4)ccc3o2)c1 ZINC000000367896 180768537 /nfs/dbraw/zinc/76/85/37/180768537.db2.gz FGCHSXIKNLFXNO-KRWDZBQOSA-N 0 0 322.364 3.921 50 0 DHAARN CC[C@@H](C)N(C(C)=O)c1ccc(N(C(C)=O)[C@@H](C)CC)cc1 ZINC000000390435 180775118 /nfs/dbraw/zinc/77/51/18/180775118.db2.gz RKKIUOJPJCINRW-OKILXGFUSA-N 0 0 304.434 3.989 50 0 DHAARN CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O ZINC000000437873 180791185 /nfs/dbraw/zinc/79/11/85/180791185.db2.gz ZEXCPAQZYVZASC-UHFFFAOYSA-N 0 0 322.817 3.624 50 0 DHAARN COc1ccc(CNC(=O)COc2cccc3ccccc32)cc1 ZINC000000441861 180791848 /nfs/dbraw/zinc/79/18/48/180791848.db2.gz VIOLJLCVUPCYLN-UHFFFAOYSA-N 0 0 321.376 3.544 50 0 DHAARN COc1ccc(-c2nc3sc4c(c3c(N)n2)CCCC4)cc1 ZINC000000420824 180783954 /nfs/dbraw/zinc/78/39/54/180783954.db2.gz XZUXIMGVPTULEA-UHFFFAOYSA-N 0 0 311.410 3.828 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3ccccc3OC)on2)cc1 ZINC000000423738 180785254 /nfs/dbraw/zinc/78/52/54/180785254.db2.gz KSJWGOZBIODEIB-UHFFFAOYSA-N 0 0 324.336 3.611 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50 0 DHAARN CC(=O)c1ccccc1OC(=O)COc1ccc(Cl)cc1C ZINC000000586884 180826088 /nfs/dbraw/zinc/82/60/88/180826088.db2.gz FEFQSVMGROHMQN-UHFFFAOYSA-N 0 0 318.756 3.835 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000609553 180827350 /nfs/dbraw/zinc/82/73/50/180827350.db2.gz MEGOXHHJOPYFRE-UHFFFAOYSA-N 0 0 312.295 3.700 50 0 DHAARN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(C(C)C)n(C)n1 ZINC000173460174 198216473 /nfs/dbraw/zinc/21/64/73/198216473.db2.gz AHPNIVOYIIZTIF-HNNXBMFYSA-N 0 0 305.466 3.974 50 0 DHAARN COc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)c(OC)c1 ZINC000000817659 180835497 /nfs/dbraw/zinc/83/54/97/180835497.db2.gz ZCJVPZOCWMEFCK-IBGZPJMESA-N 0 0 321.380 3.848 50 0 DHAARN Cc1ccn2cc(C(=O)Nc3nc4ccccc4s3)nc2c1 ZINC000000928620 180837794 /nfs/dbraw/zinc/83/77/94/180837794.db2.gz GCMARTNJMAUTDT-UHFFFAOYSA-N 0 0 308.366 3.505 50 0 DHAARN Cc1n[nH]c(C)c1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000001051747 180842693 /nfs/dbraw/zinc/84/26/93/180842693.db2.gz NUTAXWRGTYLZTC-UHFFFAOYSA-N 0 0 309.822 3.719 50 0 DHAARN Cc1cccc(C)c1NC(=S)NC(=O)CCc1ccccc1 ZINC000001070010 180845347 /nfs/dbraw/zinc/84/53/47/180845347.db2.gz RFWNAIHPSFALJL-UHFFFAOYSA-N 0 0 312.438 3.749 50 0 DHAARN CCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 ZINC000001274535 180852508 /nfs/dbraw/zinc/85/25/08/180852508.db2.gz PXNJYLKQVKVCLZ-UHFFFAOYSA-N 0 0 310.401 3.897 50 0 DHAARN COc1ccc(C=O)c(OC)c1Cc1c(F)cccc1Cl ZINC000001406247 180863272 /nfs/dbraw/zinc/86/32/72/180863272.db2.gz XYEKPZHDPDQJKC-UHFFFAOYSA-N 0 0 308.736 3.900 50 0 DHAARN O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000001381789 180857004 /nfs/dbraw/zinc/85/70/04/180857004.db2.gz XELFYQAYBIJOQM-UHFFFAOYSA-N 0 0 320.179 3.800 50 0 DHAARN CCOC(=O)c1c(=O)c2cc(C)ccc2oc1-c1ccccc1 ZINC000001391216 180858984 /nfs/dbraw/zinc/85/89/84/180858984.db2.gz QRWWAODFWQHGJX-UHFFFAOYSA-N 0 0 308.333 3.945 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1csc(-c2ccncc2)n1 ZINC000001397262 180860540 /nfs/dbraw/zinc/86/05/40/180860540.db2.gz MUZLHKVRLSJOQC-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN Cc1cc(OS(=O)(=O)c2ccc(F)cc2)cc(C)c1Cl ZINC000002182628 180914406 /nfs/dbraw/zinc/91/44/06/180914406.db2.gz VKWGEZOZIRZPLG-UHFFFAOYSA-N 0 0 314.765 3.864 50 0 DHAARN Cc1nc2nc(NCc3cccc(Cl)c3)nn2c(C)c1Cl ZINC000002323918 180918918 /nfs/dbraw/zinc/91/89/18/180918918.db2.gz JQWYZTGNBQQPEQ-UHFFFAOYSA-N 0 0 322.199 3.660 50 0 DHAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccccc2F)CO1 ZINC000002122644 180910553 /nfs/dbraw/zinc/91/05/53/180910553.db2.gz FGEYDBOBYVUQRA-UHFFFAOYSA-N 0 0 311.312 3.597 50 0 biogenic DHAARN CCCCc1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000002117795 180911004 /nfs/dbraw/zinc/91/10/04/180911004.db2.gz RCLSEJWOQSJNFR-UHFFFAOYSA-N 0 0 306.409 3.982 50 0 DHAARN CC(C)C(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000002137011 180911556 /nfs/dbraw/zinc/91/15/56/180911556.db2.gz XULVSXQZUDMEDT-UHFFFAOYSA-N 0 0 313.426 3.899 50 0 DHAARN O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccccc1 ZINC000002440119 180923926 /nfs/dbraw/zinc/92/39/26/180923926.db2.gz YOAFTOQFXYYSAL-UHFFFAOYSA-N 0 0 321.376 3.917 50 0 DHAARN COc1ccc2nc(NC(=O)Cc3cccs3)sc2c1 ZINC000002620548 180939898 /nfs/dbraw/zinc/93/98/98/180939898.db2.gz ILFYFBFIOFFNPK-UHFFFAOYSA-N 0 0 304.396 3.548 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2ccccc2oc1=O ZINC000002658097 180945659 /nfs/dbraw/zinc/94/56/59/180945659.db2.gz CGUMJRQXMGHHDK-CQSZACIVSA-N 0 0 321.376 3.544 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2cc(C)nc3ccccc32)c1 ZINC000002662183 180945881 /nfs/dbraw/zinc/94/58/81/180945881.db2.gz WQDWVBHDKOEHDE-UHFFFAOYSA-N 0 0 304.349 3.998 50 0 DHAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000002621464 180940240 /nfs/dbraw/zinc/94/02/40/180940240.db2.gz WMJMCQSDNQSULB-NSHDSACASA-N 0 0 305.761 3.755 50 0 DHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1CCCCC1 ZINC000002721974 180949083 /nfs/dbraw/zinc/94/90/83/180949083.db2.gz QFOQZAOAMQJGPJ-UHFFFAOYSA-N 0 0 314.385 3.863 50 0 aggregator DHAARN CCCc1cc(C(=O)OC)c(NC(=O)c2ccc(C)o2)s1 ZINC000002762879 180953326 /nfs/dbraw/zinc/95/33/26/180953326.db2.gz RKJGVHKEMQIKAE-UHFFFAOYSA-N 0 0 307.371 3.641 50 0 DHAARN O=C(Nc1ccc(Cl)cn1)c1cc(-c2cccs2)on1 ZINC000002802288 180959122 /nfs/dbraw/zinc/95/91/22/180959122.db2.gz NNXYLYYEMGKHMG-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN Cc1ccccc1NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002882353 180966949 /nfs/dbraw/zinc/96/69/49/180966949.db2.gz PUJDWUAORIGEKR-UHFFFAOYSA-N 0 0 324.424 3.661 50 0 DHAARN CSc1ccccc1C(=O)NCCOc1ccccc1C ZINC000002988988 180974634 /nfs/dbraw/zinc/97/46/34/180974634.db2.gz GBTROWUZDGAOJR-UHFFFAOYSA-N 0 0 301.411 3.526 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000002992942 180975432 /nfs/dbraw/zinc/97/54/32/180975432.db2.gz JTLQQQHBFYWQSG-CYBMUJFWSA-N 0 0 324.852 3.920 50 0 DHAARN CC(C)c1ccc(OCC(=O)NCCCc2ccccc2)cc1 ZINC000002991722 180975631 /nfs/dbraw/zinc/97/56/31/180975631.db2.gz SGAYEQFBCKHDGV-UHFFFAOYSA-N 0 0 311.425 3.938 50 0 DHAARN CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1ccccc1 ZINC000003220200 180993163 /nfs/dbraw/zinc/99/31/63/180993163.db2.gz TXKOYTOUTJTWAW-UHFFFAOYSA-N 0 0 322.360 3.926 50 0 DHAARN 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CC(=O)c1cccc(NC(=O)[C@H](C)Nc2cc(C)ccc2C)c1 ZINC000022464118 182322037 /nfs/dbraw/zinc/32/20/37/182322037.db2.gz PTBSBTNXFJSDJZ-AWEZNQCLSA-N 0 0 310.397 3.945 50 0 DHAARN CC(C)CC[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000022513010 182324570 /nfs/dbraw/zinc/32/45/70/182324570.db2.gz UIKZTZVROYNJOA-ZDUSSCGKSA-N 0 0 302.418 3.590 50 0 DHAARN O=C(C[C@H]1C=CCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000022832293 182336641 /nfs/dbraw/zinc/33/66/41/182336641.db2.gz FAJMXGRNIPWXIG-AWEZNQCLSA-N 0 0 307.397 3.535 50 0 DHAARN Cc1cccc(CN2CCO[C@H](CCCc3ccccc3)C2)n1 ZINC000023337387 182357050 /nfs/dbraw/zinc/35/70/50/182357050.db2.gz IRFKEDWCSZLEKZ-HXUWFJFHSA-N 0 0 310.441 3.614 50 0 DHAARN Cc1nnc([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)s1 ZINC000023140571 182350881 /nfs/dbraw/zinc/35/08/81/182350881.db2.gz ALBLGJSZPCCNCE-GFCCVEGCSA-N 0 0 321.833 3.520 50 0 DHAARN Cc1noc(C)c1CSCC(=O)Nc1ccc(C)c(F)c1 ZINC000023040165 182345744 /nfs/dbraw/zinc/34/57/44/182345744.db2.gz AGBKAFDDWYACGN-UHFFFAOYSA-N 0 0 308.378 3.611 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CC(=O)c1ccc(NCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000024213027 182376607 /nfs/dbraw/zinc/37/66/07/182376607.db2.gz LAKGZXAQLGFECP-OAHLLOKOSA-N 0 0 324.424 3.795 50 0 DHAARN CC[C@@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccccc1 ZINC000023748513 182368058 /nfs/dbraw/zinc/36/80/58/182368058.db2.gz NOWVRDBFKIKLFL-ZDUSSCGKSA-N 0 0 301.411 3.874 50 0 DHAARN O=C(Cc1cccs1)N[C@H](c1ccccc1)c1ccccn1 ZINC000023996828 182372206 /nfs/dbraw/zinc/37/22/06/182372206.db2.gz KYOJNXZZBUWKPW-GOSISDBHSA-N 0 0 308.406 3.591 50 0 DHAARN CCOc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000024069867 182374005 /nfs/dbraw/zinc/37/40/05/182374005.db2.gz IVHLQGLJMVSVKW-UHFFFAOYSA-N 0 0 311.428 3.564 50 0 DHAARN CN(Cc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000024748950 182389775 /nfs/dbraw/zinc/38/97/75/182389775.db2.gz PWSJMYQXHOOVDC-UHFFFAOYSA-N 0 0 312.394 3.704 50 0 DHAARN C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(OC(F)F)cc1 ZINC000024833960 182392005 /nfs/dbraw/zinc/39/20/05/182392005.db2.gz AGKTVSPRJHLNKM-SNVBAGLBSA-N 0 0 309.287 3.918 50 0 DHAARN COc1cc(OC)cc(C(=O)N(C)[C@@H](C)c2cccs2)c1 ZINC000024538439 182382538 /nfs/dbraw/zinc/38/25/38/182382538.db2.gz UPNGIMBTSFJBHL-NSHDSACASA-N 0 0 305.399 3.599 50 0 DHAARN CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccccc1 ZINC000024941578 182395454 /nfs/dbraw/zinc/39/54/54/182395454.db2.gz WGFUIDXMRGDCRJ-UHFFFAOYSA-N 0 0 306.768 3.821 50 0 DHAARN COCc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000025334885 182409972 /nfs/dbraw/zinc/40/99/72/182409972.db2.gz VVQPNFNUWDKVIT-UHFFFAOYSA-N 0 0 307.752 3.807 50 0 DHAARN Cc1cccc(NCC(=O)N[C@H](C)c2ccc(F)cc2)c1C ZINC000025596636 182417709 /nfs/dbraw/zinc/41/77/09/182417709.db2.gz YQVPKIGRXAMPKB-CQSZACIVSA-N 0 0 300.377 3.732 50 0 DHAARN CCn1cnnc1SCc1csc(Nc2ccccc2)n1 ZINC000025678603 182419703 /nfs/dbraw/zinc/41/97/03/182419703.db2.gz KZKZTSROHDBLTF-UHFFFAOYSA-N 0 0 317.443 3.790 50 0 DHAARN Cc1ccc(CN(C(=O)c2cn3c(cccc3C)n2)C2CC2)cc1 ZINC000025764475 182421587 /nfs/dbraw/zinc/42/15/87/182421587.db2.gz LTQOZTPLJMTQAF-UHFFFAOYSA-N 0 0 319.408 3.756 50 0 DHAARN COc1ccc2nc(C(=O)NC[C@@H](C)c3ccccc3)ccc2c1 ZINC000026072214 182430100 /nfs/dbraw/zinc/43/01/00/182430100.db2.gz SWYIKSYQMHZXLX-CQSZACIVSA-N 0 0 320.392 3.777 50 0 DHAARN CC(C)c1nc2cc(N[C@@H](C(N)=O)c3ccccc3)ccc2o1 ZINC000027044964 182461590 /nfs/dbraw/zinc/46/15/90/182461590.db2.gz KMVQBTCTWIALRK-MRXNPFEDSA-N 0 0 309.369 3.590 50 0 DHAARN Cc1cnccc1NC(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000192288768 335028815 /nfs/dbraw/zinc/02/88/15/335028815.db2.gz XJQJSUMAWVXROE-UHFFFAOYSA-N 0 0 313.405 3.880 50 0 DHAARN COc1ccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)cn1 ZINC000027601284 182481672 /nfs/dbraw/zinc/48/16/72/182481672.db2.gz UDGUQBTYHWKFRV-UHFFFAOYSA-N 0 0 321.380 3.703 50 0 DHAARN CN(C(=O)Cc1noc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000027823383 182492615 /nfs/dbraw/zinc/49/26/15/182492615.db2.gz FSIMQRNZRKUNJV-QGZVFWFLSA-N 0 0 306.365 3.516 50 0 DHAARN Cc1nc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cs1 ZINC000027865424 182494192 /nfs/dbraw/zinc/49/41/92/182494192.db2.gz ZKCSKMWPWCDLMD-OAHLLOKOSA-N 0 0 301.415 3.674 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324.424 3.784 50 0 DHAARN COc1ccc(F)cc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000031303153 182610982 /nfs/dbraw/zinc/61/09/82/182610982.db2.gz WNMREWCKZWTMFT-UHFFFAOYSA-N 0 0 314.360 3.687 50 0 DHAARN CC(=O)Nc1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000032754245 182659273 /nfs/dbraw/zinc/65/92/73/182659273.db2.gz RUKBPSWYJWDEPU-UHFFFAOYSA-N 0 0 312.300 3.783 50 0 DHAARN CCC(CC)NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000032843367 182671474 /nfs/dbraw/zinc/67/14/74/182671474.db2.gz RGDYYTPYLOVTDT-UHFFFAOYSA-N 0 0 305.809 3.503 50 0 DHAARN Cc1nc2ccccc2n1CCNC(=O)Nc1ccc(C)cc1C ZINC000032951076 182684491 /nfs/dbraw/zinc/68/44/91/182684491.db2.gz PBMXMGOBQCBEGC-UHFFFAOYSA-N 0 0 322.412 3.783 50 0 DHAARN CCCOc1ccccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000032958186 182685070 /nfs/dbraw/zinc/68/50/70/182685070.db2.gz YHTRJWMXGDWDNB-GJZGRUSLSA-N 0 0 305.418 3.644 50 0 DHAARN Cc1cccc(C)c1NC(=O)[C@H]1CCn2c(nc3ccccc32)C1 ZINC000032995602 182687293 /nfs/dbraw/zinc/68/72/93/182687293.db2.gz TXUVRBNWVPECOS-HNNXBMFYSA-N 0 0 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183078373 /nfs/dbraw/zinc/07/83/73/183078373.db2.gz NERYXMVZVCBGIF-ZBFHGGJFSA-N 0 0 315.413 3.724 50 0 DHAARN Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000040510166 183086355 /nfs/dbraw/zinc/08/63/55/183086355.db2.gz SUBSXUJKIVAEHA-SECBINFHSA-N 0 0 312.822 3.816 50 0 DHAARN CCc1cccc(NC(=O)CCCc2nc(C(C)C)no2)c1 ZINC000040515698 183088988 /nfs/dbraw/zinc/08/89/88/183088988.db2.gz YZWPETPIOUJEQA-UHFFFAOYSA-N 0 0 301.390 3.717 50 0 DHAARN COc1ccc(OCCSc2nnc(-c3ccco3)o2)cc1 ZINC000040456849 183069239 /nfs/dbraw/zinc/06/92/39/183069239.db2.gz YVUGHXWENGBTOL-UHFFFAOYSA-N 0 0 318.354 3.509 50 0 DHAARN CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 ZINC000040540599 183097479 /nfs/dbraw/zinc/09/74/79/183097479.db2.gz PXJLHHSUDAQXBW-LBPRGKRZSA-N 0 0 305.378 3.519 50 0 DHAARN COc1ccc(C(=O)Nc2ccc3c(C)cc(C)nc3n2)cc1 ZINC000040818233 183137811 /nfs/dbraw/zinc/13/78/11/183137811.db2.gz GWLIRSCWGPITLX-UHFFFAOYSA-N 0 0 307.353 3.508 50 0 DHAARN CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000041018852 183156375 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O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1ccccc1 ZINC000065218653 184314897 /nfs/dbraw/zinc/31/48/97/184314897.db2.gz JVTGXKJSNTXREL-UHFFFAOYSA-N 0 0 311.366 3.928 50 0 DHAARN Cc1cccnc1-n1nc(C2CC2)nc1C1Cc2ccccc2C1 ZINC000065388166 184334164 /nfs/dbraw/zinc/33/41/64/184334164.db2.gz ANVGTKIPADGKSV-UHFFFAOYSA-N 0 0 316.408 3.731 50 0 DHAARN Cn1cnc2ccc(-c3noc(Cc4ccccc4Cl)n3)cc21 ZINC000065240614 184317789 /nfs/dbraw/zinc/31/77/89/184317789.db2.gz VGNFOWWLJQRAKP-UHFFFAOYSA-N 0 0 324.771 3.868 50 0 DHAARN CC(C)n1nnc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc21 ZINC000065240556 184317906 /nfs/dbraw/zinc/31/79/06/184317906.db2.gz SNLUOSCVBLLTAF-UHFFFAOYSA-N 0 0 323.331 3.868 50 0 DHAARN O=C(c1ccco1)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000065267591 184319709 /nfs/dbraw/zinc/31/97/09/184319709.db2.gz FRWMBZDNLDDIBY-HNNXBMFYSA-N 0 0 321.380 3.690 50 0 DHAARN Cc1ccc(CN2CCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286678 184322163 /nfs/dbraw/zinc/32/21/63/184322163.db2.gz TZXYLVODHRARKA-KRWDZBQOSA-N 0 0 320.396 3.777 50 0 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3.852 50 0 DHAARN Cn1cc(-c2nc(COc3ccc4ncccc4c3)cs2)cn1 ZINC000065948310 184383400 /nfs/dbraw/zinc/38/34/00/184383400.db2.gz AXEDYJRSAWNIOD-UHFFFAOYSA-N 0 0 322.393 3.671 50 0 DHAARN CCc1ccsc1C(=O)Nc1ccc(F)c(NC(=O)OC)c1 ZINC000066487522 184410562 /nfs/dbraw/zinc/41/05/62/184410562.db2.gz MTDYXMYYAXWYQO-UHFFFAOYSA-N 0 0 322.361 3.880 50 0 DHAARN COC(=O)Nc1cc(NC(=O)c2cccc(C)c2)ccc1F ZINC000066489524 184410841 /nfs/dbraw/zinc/41/08/41/184410841.db2.gz FWCRRZWCUYHZPT-UHFFFAOYSA-N 0 0 302.305 3.565 50 0 DHAARN CCCNc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc21 ZINC000067261374 184457448 /nfs/dbraw/zinc/45/74/48/184457448.db2.gz RDLFMZGKKJFOMF-UHFFFAOYSA-N 0 0 321.359 3.906 50 0 DHAARN CCN(CC)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1 ZINC000067605721 184474597 /nfs/dbraw/zinc/47/45/97/184474597.db2.gz WMJZXFYKMSJWJN-OAHLLOKOSA-N 0 0 311.429 3.761 50 0 DHAARN CC[C@H](COC)n1cnc(-c2ccccc2)c1-c1cc(C)[nH]n1 ZINC000067739882 184483981 /nfs/dbraw/zinc/48/39/81/184483981.db2.gz QHFHYFQQZBFYIX-OAHLLOKOSA-N 0 0 310.401 3.846 50 0 DHAARN O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1C[C@@H]1c1ccco1 ZINC000069563004 184525988 /nfs/dbraw/zinc/52/59/88/184525988.db2.gz UMGYCEPRKDSVPE-OUCADQQQSA-N 0 0 317.772 3.677 50 0 DHAARN COc1cc(C)c(NC(=O)N(C)[C@H](C)CC(C)C)cc1OC ZINC000069492476 184519811 /nfs/dbraw/zinc/51/98/11/184519811.db2.gz HMGLKWKUNSBSCS-CYBMUJFWSA-N 0 0 308.422 3.911 50 0 DHAARN CC(=O)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2C(C)C)c1 ZINC000120226914 195122667 /nfs/dbraw/zinc/12/26/67/195122667.db2.gz DWRVJOQYXQXVQB-QGZVFWFLSA-N 0 0 317.433 3.712 50 0 DHAARN Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2cccnc2)cc1 ZINC000157025365 197156751 /nfs/dbraw/zinc/15/67/51/197156751.db2.gz VYPQUXSQTUQJMJ-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000120657413 195209528 /nfs/dbraw/zinc/20/95/28/195209528.db2.gz MEIZDGJBJJKLTF-RYUDHWBXSA-N 0 0 304.413 3.892 50 0 DHAARN CC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1 ZINC000000471339 256512916 /nfs/dbraw/zinc/51/29/16/256512916.db2.gz 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257266463 /nfs/dbraw/zinc/26/64/63/257266463.db2.gz AKEQDKIMDBCGSA-UHFFFAOYSA-N 0 0 319.202 3.767 50 0 DHAARN Cc1cc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c(C)o1 ZINC000003529985 257267427 /nfs/dbraw/zinc/26/74/27/257267427.db2.gz HZHRGNWDKBGYTN-UHFFFAOYSA-N 0 0 315.369 3.815 50 0 DHAARN C[C@@H](CNC(=O)c1cccs1)OC12CC3CC(CC(C3)C1)C2 ZINC000004687153 257267613 /nfs/dbraw/zinc/26/76/13/257267613.db2.gz KNNSDCYETZWAMV-IHWZXDPASA-N 0 0 319.470 3.852 50 0 DHAARN CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000006961004 257267924 /nfs/dbraw/zinc/26/79/24/257267924.db2.gz JTRCPELXTNEMCN-UHFFFAOYSA-N 0 0 302.230 3.977 50 0 DHAARN CC(C)NC(=O)c1ccc(-c2cccc(-c3cc[nH]n3)c2)s1 ZINC000020137165 257268890 /nfs/dbraw/zinc/26/88/90/257268890.db2.gz HPTGBHGBYXEDIA-UHFFFAOYSA-N 0 0 311.410 3.943 50 0 DHAARN CN(C)c1ccc(CCCNC(=O)c2ccccc2Cl)cc1 ZINC000023001819 257269111 /nfs/dbraw/zinc/26/91/11/257269111.db2.gz HUPMFFCJOPWIDL-UHFFFAOYSA-N 0 0 316.832 3.769 50 0 DHAARN COCc1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000029143769 257269388 /nfs/dbraw/zinc/26/93/88/257269388.db2.gz PJGAUSHKPSBOLO-UHFFFAOYSA-N 0 0 307.296 3.687 50 0 DHAARN COc1ccccc1-c1n[nH]c(C2CC2)c1NC(=O)C1CCC1 ZINC000034796298 257269835 /nfs/dbraw/zinc/26/98/35/257269835.db2.gz MIKSMMHPKFGEAV-UHFFFAOYSA-N 0 0 311.385 3.701 50 0 DHAARN CCn1ncc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1C ZINC000071282577 257270319 /nfs/dbraw/zinc/27/03/19/257270319.db2.gz JIDUVWUZMNJVSM-CYBMUJFWSA-N 0 0 313.405 3.647 50 0 DHAARN Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1cnn2C1CCCC1 ZINC000071281861 257270324 /nfs/dbraw/zinc/27/03/24/257270324.db2.gz IGKWWZYZKNFPQN-GFCCVEGCSA-N 0 0 300.362 3.727 50 0 DHAARN Cc1ccsc1-c1nccn1Cc1cn2ccsc2n1 ZINC000071762553 257270510 /nfs/dbraw/zinc/27/05/10/257270510.db2.gz VKEUKFUIBZAANI-UHFFFAOYSA-N 0 0 300.412 3.678 50 0 DHAARN Cc1ccc2[nH]c(SCc3nc(-c4ccncc4)no3)nc2c1 ZINC000069660562 184834121 /nfs/dbraw/zinc/83/41/21/184834121.db2.gz AUGOSVKLQSJYQS-UHFFFAOYSA-N 0 0 323.381 3.609 50 0 DHAARN CCNc1nnc(SCc2csc(-c3ccoc3)n2)s1 ZINC000071888011 184888684 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O=C1c2cc(Br)ccc2[C@@H]2OCc3ccccc3N12 ZINC000035326820 563865971 /nfs/dbraw/zinc/86/59/71/563865971.db2.gz YEEZQZSXCKFYCM-HNNXBMFYSA-N 0 0 316.154 3.638 50 0 DHAARN O=C1OC(c2ccco2)=NC1=CNc1cc(Cl)ccc1Cl ZINC000006251544 563866741 /nfs/dbraw/zinc/86/67/41/563866741.db2.gz HWUUGBGFIIYBBS-XFFZJAGNSA-N 0 0 323.135 3.843 50 0 DHAARN CC(C)c1nn(CN2CCC[C@@H]2c2ccccc2)c(=S)[nH]1 ZINC000014158587 563910291 /nfs/dbraw/zinc/91/02/91/563910291.db2.gz NBTBTWQKWAMTQI-CQSZACIVSA-N 0 0 302.447 3.859 50 0 DHAARN CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)o1 ZINC000095961159 563932511 /nfs/dbraw/zinc/93/25/11/563932511.db2.gz RAEPBLQCNFYILE-JOYOIKCWSA-N 0 0 322.434 3.578 50 0 DHAARN O=C(C[C@@H]1CCOC1)NCc1sc2ccccc2c1Cl ZINC000670450071 563944481 /nfs/dbraw/zinc/94/44/81/563944481.db2.gz YKLNZQJSOMYAAN-JTQLQIEISA-N 0 0 309.818 3.598 50 0 DHAARN COc1ccc(NC(=O)C[C@H](C)n2nc(C)cc2C)cc1Cl ZINC000008605322 563949413 /nfs/dbraw/zinc/94/94/13/563949413.db2.gz ZNROMGRSIZZXJC-LBPRGKRZSA-N 0 0 321.808 3.752 50 0 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CCCCc1nnc(NC(=O)CCCc2ccccc2)s1 ZINC000002873920 563315981 /nfs/dbraw/zinc/31/59/81/563315981.db2.gz HJXLAHNQPWVYQL-UHFFFAOYSA-N 0 0 303.431 3.842 50 0 DHAARN CN1CCSc2ccc(C(=O)Nc3cccc(F)c3)cc21 ZINC000003030566 563346081 /nfs/dbraw/zinc/34/60/81/563346081.db2.gz FRWDUPKKYSQCFI-UHFFFAOYSA-N 0 0 302.374 3.620 50 0 DHAARN Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)nc1 ZINC000013744742 563388078 /nfs/dbraw/zinc/38/80/78/563388078.db2.gz WWKPCESRHFYTPJ-UHFFFAOYSA-N 0 0 304.777 3.678 50 0 DHAARN Cc1cc(-c2csc(NC(=O)c3ccoc3)n2)c(C)n1C ZINC000014069224 563394505 /nfs/dbraw/zinc/39/45/05/563394505.db2.gz UHZYYJDEWCKLRV-UHFFFAOYSA-N 0 0 301.371 3.611 50 0 DHAARN Cc1cc(C(=O)CSc2nnc(C(C)C)[nH]2)c(C)n1C1CC1 ZINC000014110471 563395534 /nfs/dbraw/zinc/39/55/34/563395534.db2.gz ARQDRZLHCNGFDH-UHFFFAOYSA-N 0 0 318.446 3.656 50 0 DHAARN Cc1ccc(C)c(OCCN(C)C(=O)c2ccnc(Cl)c2)c1 ZINC000055090867 563471149 /nfs/dbraw/zinc/47/11/49/563471149.db2.gz PSNRGTMISMRSFB-UHFFFAOYSA-N 0 0 318.804 3.503 50 0 DHAARN CC(C)(C)OC(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000096428299 563481457 /nfs/dbraw/zinc/48/14/57/563481457.db2.gz NPRGUNRKTVHJKC-UHFFFAOYSA-N 0 0 319.327 3.543 50 0 DHAARN COc1ccc(C(=O)Oc2ccccc2)cc1Br ZINC000000038456 563211510 /nfs/dbraw/zinc/21/15/10/563211510.db2.gz JBKOJEOKGBICNH-UHFFFAOYSA-N 0 0 307.143 3.677 50 0 DHAARN CN(C)c1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000000031660 563211259 /nfs/dbraw/zinc/21/12/59/563211259.db2.gz IDOWTVUOCPGLOL-UHFFFAOYSA-N 0 0 319.202 3.767 50 0 DHAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000000045008 563211653 /nfs/dbraw/zinc/21/16/53/563211653.db2.gz QTESYIWLCFCXCR-MRXNPFEDSA-N 0 0 322.408 3.549 50 0 DHAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 ZINC000000047683 563211861 /nfs/dbraw/zinc/21/18/61/563211861.db2.gz GZPDVRJCPPBBSD-UHFFFAOYSA-N 0 0 306.317 3.501 50 0 biogenic,in-vitro DHAARN CCC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 ZINC000000052486 563212012 /nfs/dbraw/zinc/21/20/12/563212012.db2.gz ZPWOOAMJHFGCCP-UHFFFAOYSA-N 0 0 319.430 3.763 50 0 DHAARN O=C(NCCc1ccccn1)c1sc2ccccc2c1Cl ZINC000000068053 563212934 /nfs/dbraw/zinc/21/29/34/563212934.db2.gz HVYBIOTXSVVGNH-UHFFFAOYSA-N 0 0 316.813 3.922 50 0 DHAARN O=c1onc(-c2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000000078162 563214134 /nfs/dbraw/zinc/21/41/34/563214134.db2.gz YIRQYALWFSVLDV-UHFFFAOYSA-N 0 0 306.243 3.511 50 0 DHAARN CCOC(=O)c1c(NC(C)=O)sc(C)c1-c1ccccc1 ZINC000000083557 563214685 /nfs/dbraw/zinc/21/46/85/563214685.db2.gz HHHALVHWBGMWOB-UHFFFAOYSA-N 0 0 303.383 3.859 50 0 DHAARN FC(F)(F)c1cccc(N2NC3(CCCCC3)NC2=S)c1 ZINC000000087860 563215060 /nfs/dbraw/zinc/21/50/60/563215060.db2.gz OPGLMYDMMHIICQ-UHFFFAOYSA-N 0 0 315.364 3.565 50 0 DHAARN COCc1cc(=O)oc2cc(OC(=O)C(C)(C)C)c(Cl)cc12 ZINC000000093767 563215873 /nfs/dbraw/zinc/21/58/73/563215873.db2.gz IHOBTAOPHXSYQL-UHFFFAOYSA-N 0 0 324.760 3.544 50 0 DHAARN COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1cccnc1 ZINC000000102390 563217624 /nfs/dbraw/zinc/21/76/24/563217624.db2.gz WKXXYZUZGRWXNT-OAHLLOKOSA-N 0 0 320.801 3.522 50 0 DHAARN CCOC(=O)c1csc(-c2sccc2Br)n1 ZINC000000109162 563218874 /nfs/dbraw/zinc/21/88/74/563218874.db2.gz FHLHPRATYFGOOC-UHFFFAOYSA-N 0 0 318.217 3.811 50 0 DHAARN Cn1cc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000000115244 563219211 /nfs/dbraw/zinc/21/92/11/563219211.db2.gz VLVKOPOWJXRLTM-UHFFFAOYSA-N 0 0 304.564 3.633 50 0 DHAARN COC(OC)c1ccnc(SCc2ccccc2Cl)n1 ZINC000000123373 563220590 /nfs/dbraw/zinc/22/05/90/563220590.db2.gz SOLPVNBNYVMXOI-UHFFFAOYSA-N 0 0 310.806 3.714 50 0 DHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 ZINC000000127369 563221058 /nfs/dbraw/zinc/22/10/58/563221058.db2.gz HQZGWYCGYBCRRR-UHFFFAOYSA-N 0 0 313.353 3.596 50 0 DHAARN O=C(c1cnc2ccccn21)C(F)(F)Sc1ccccc1 ZINC000000129957 563221762 /nfs/dbraw/zinc/22/17/62/563221762.db2.gz XADLTVWDMTVBER-UHFFFAOYSA-N 0 0 304.321 3.902 50 0 DHAARN Cc1cccc(NC(=O)c2cncc(Br)c2)c1C ZINC000000138198 563222905 /nfs/dbraw/zinc/22/29/05/563222905.db2.gz IRVYELVYHYQXKR-UHFFFAOYSA-N 0 0 305.175 3.713 50 0 DHAARN CNC(=O)N(C1=NCC(C)(C)S1)c1ccc(F)c(Cl)c1 ZINC000000162100 563225904 /nfs/dbraw/zinc/22/59/04/563225904.db2.gz IECQTUZJASSLGZ-UHFFFAOYSA-N 0 0 315.801 3.506 50 0 DHAARN O=C(NCc1cccs1)c1cc(F)c(Cl)nc1Cl ZINC000000166915 563226442 /nfs/dbraw/zinc/22/64/42/563226442.db2.gz ZSKSDLXPIZNQKW-UHFFFAOYSA-N 0 0 305.161 3.519 50 0 DHAARN O=c1[nH]nc(CSc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000000172969 563227370 /nfs/dbraw/zinc/22/73/70/563227370.db2.gz XZAALUVKVHHSCU-UHFFFAOYSA-N 0 0 317.801 3.506 50 0 DHAARN CCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 ZINC000000186110 563229187 /nfs/dbraw/zinc/22/91/87/563229187.db2.gz CXFYMGHHYYDKOM-UHFFFAOYSA-N 0 0 324.384 3.558 50 0 DHAARN O=C1NC(=Cc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 ZINC000000202353 563230041 /nfs/dbraw/zinc/23/00/41/563230041.db2.gz RGSGEXAKIWXUGC-RIYZIHGNSA-N 0 0 316.719 3.576 50 0 DHAARN Cc1cc(C)n2nc(SCc3c(F)cccc3Cl)nc2n1 ZINC000000217168 563231643 /nfs/dbraw/zinc/23/16/43/563231643.db2.gz XZVIRUPNOWLDGW-UHFFFAOYSA-N 0 0 322.796 3.826 50 0 DHAARN Cc1ccc([C@H]2C[C@H](c3cccc(F)c3)n3ncnc3N2)cc1 ZINC000000222178 563231658 /nfs/dbraw/zinc/23/16/58/563231658.db2.gz BTHQEIRJINLYCC-IAGOWNOFSA-N 0 0 308.360 3.872 50 0 DHAARN COc1cccc([C@@H]2C[C@H](c3ccccc3C)n3ncnc3N2)c1 ZINC000000222945 563231668 /nfs/dbraw/zinc/23/16/68/563231668.db2.gz FLSMAAUFWJLGJS-ZWKOTPCHSA-N 0 0 320.396 3.741 50 0 DHAARN Fc1cccc([C@@H]2C[C@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221865 563231764 /nfs/dbraw/zinc/23/17/64/563231764.db2.gz NUITZTVPBMXDFQ-OLZOCXBDSA-N 0 0 300.362 3.625 50 0 DHAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000239831 563232926 /nfs/dbraw/zinc/23/29/26/563232926.db2.gz XNUPEHZIEBWHTG-UHFFFAOYSA-N 0 0 302.761 3.859 50 0 DHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000244972 563233533 /nfs/dbraw/zinc/23/35/33/563233533.db2.gz RTOXIKUBQUMKHU-MRXNPFEDSA-N 0 0 303.427 3.793 50 0 DHAARN COc1ccc([C@H]2S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000000248572 563233570 /nfs/dbraw/zinc/23/35/70/563233570.db2.gz YNFSHAWIKOYAHW-SCLBCKFNSA-N 0 0 313.422 3.858 50 0 DHAARN CCc1cc(=O)oc2c(C)c(O[C@@H]3CCCCC3=O)ccc12 ZINC000000253039 563234205 /nfs/dbraw/zinc/23/42/05/563234205.db2.gz CJQNLVBORGTWFJ-MRXNPFEDSA-N 0 0 300.354 3.554 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1ccccc1Br ZINC000000254939 563234286 /nfs/dbraw/zinc/23/42/86/563234286.db2.gz UNTCTLADWQYDDO-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN CC(=O)c1ccc(N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000000272535 563235228 /nfs/dbraw/zinc/23/52/28/563235228.db2.gz DLPKKTCOPODWPF-UHFFFAOYSA-N 0 0 308.425 3.520 50 0 DHAARN O=S(=O)(c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000000289820 563236604 /nfs/dbraw/zinc/23/66/04/563236604.db2.gz NCBPNKAELJYAHJ-UHFFFAOYSA-N 0 0 301.411 3.510 50 0 DHAARN COc1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000000300382 563237960 /nfs/dbraw/zinc/23/79/60/563237960.db2.gz UEOBWABPEVGSNM-AUUYWEPGSA-N 0 0 317.429 3.745 50 0 biogenic DHAARN O=c1sc2ccccc2n1Cc1ccc(Br)cc1 ZINC000000300786 563237986 /nfs/dbraw/zinc/23/79/86/563237986.db2.gz CFEDFHFJDIJDDP-UHFFFAOYSA-N 0 0 320.211 3.874 50 0 DHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3ccccc3n2)cc1 ZINC000000310134 563239165 /nfs/dbraw/zinc/23/91/65/563239165.db2.gz QYKGKPNNNBTGLL-CQSZACIVSA-N 0 0 319.360 3.971 50 0 DHAARN CC[C@@H](C)c1ccc(OCCn2cnc3ccccc3c2=O)cc1 ZINC000000311515 563239706 /nfs/dbraw/zinc/23/97/06/563239706.db2.gz GLMZOOWPGUIYBB-OAHLLOKOSA-N 0 0 322.408 3.989 50 0 DHAARN Cc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000000328320 563241369 /nfs/dbraw/zinc/24/13/69/563241369.db2.gz MUEHPLPJJJNTKH-UHFFFAOYSA-N 0 0 320.344 3.809 50 0 DHAARN COc1ccc(Cc2noc(-c3ccc(C)cc3)n2)cc1OC ZINC000000331240 563241430 /nfs/dbraw/zinc/24/14/30/563241430.db2.gz UOMJTBXRQOHGKL-UHFFFAOYSA-N 0 0 310.353 3.653 50 0 DHAARN CCn1ncc(Br)c1C(=O)Nc1ccc(C)cc1C ZINC000000356035 563243761 /nfs/dbraw/zinc/24/37/61/563243761.db2.gz JZODXIXYPZHKSQ-UHFFFAOYSA-N 0 0 322.206 3.535 50 0 DHAARN Cc1sc(NC(=O)c2ccco2)c(C(=O)OC(C)C)c1C ZINC000000355923 563243881 /nfs/dbraw/zinc/24/38/81/563243881.db2.gz HARLLHFQAISACR-UHFFFAOYSA-N 0 0 307.371 3.775 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1cc2cc(Cl)ccc2oc1=O ZINC000000368116 563246449 /nfs/dbraw/zinc/24/64/49/563246449.db2.gz IDWHESDPZPASJM-UHFFFAOYSA-N 0 0 317.703 3.838 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)COc2ccccc2Cl)cc1 ZINC000000372357 563246521 /nfs/dbraw/zinc/24/65/21/563246521.db2.gz DXTUYGBGFKSVBW-GFCCVEGCSA-N 0 0 319.788 3.605 50 0 DHAARN Cc1c(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)nn1C ZINC000000371006 563246599 /nfs/dbraw/zinc/24/65/99/563246599.db2.gz AWYIMMBJRSJJFE-UHFFFAOYSA-N 0 0 318.591 3.941 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)CSc1ccccc1 ZINC000000379241 563247577 /nfs/dbraw/zinc/24/75/77/563247577.db2.gz KNXWBZHPJBRBAQ-UHFFFAOYSA-N 0 0 315.394 3.594 50 0 DHAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000000380341 563247647 /nfs/dbraw/zinc/24/76/47/563247647.db2.gz LNQQVRWJCIXADU-LLVKDONJSA-N 0 0 319.430 3.533 50 0 DHAARN Cc1cc(C)c(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000000377855 563247791 /nfs/dbraw/zinc/24/77/91/563247791.db2.gz HAYMKWVUYUICDR-UHFFFAOYSA-N 0 0 310.184 3.848 50 0 DHAARN CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000384385 563248222 /nfs/dbraw/zinc/24/82/22/563248222.db2.gz OZXHAIMISKEMPM-UHFFFAOYSA-N 0 0 323.179 3.605 50 0 DHAARN O=C(COc1ccccc1)OCC(=O)c1ccc2ccccc2c1 ZINC000000384564 563248295 /nfs/dbraw/zinc/24/82/95/563248295.db2.gz VDRZKMRGZCQSHB-UHFFFAOYSA-N 0 0 320.344 3.645 50 0 DHAARN Cc1cccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 ZINC000000385274 563248549 /nfs/dbraw/zinc/24/85/49/563248549.db2.gz JZNQADYTQHOJLT-UHFFFAOYSA-N 0 0 306.394 3.752 50 0 DHAARN CCOC(=O)N1CCC(Sc2ccnc3ccccc32)CC1 ZINC000000390514 563249292 /nfs/dbraw/zinc/24/92/92/563249292.db2.gz IFECMVVIUKCARY-UHFFFAOYSA-N 0 0 316.426 3.948 50 0 DHAARN Clc1ccc(NCc2nnc3n2CCCCC3)cc1Cl ZINC000000392209 563249947 /nfs/dbraw/zinc/24/99/47/563249947.db2.gz KHTMGWLXJSVXMW-UHFFFAOYSA-N 0 0 311.216 3.923 50 0 DHAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000400345 563251283 /nfs/dbraw/zinc/25/12/83/563251283.db2.gz SNNMMAYNWBFHKO-UHFFFAOYSA-N 0 0 322.723 3.910 50 0 DHAARN COC(=O)c1ccccc1OC(=O)Nc1ccc(SC)cc1 ZINC000000402038 563251354 /nfs/dbraw/zinc/25/13/54/563251354.db2.gz LTBWTGLLBFDREL-UHFFFAOYSA-N 0 0 317.366 3.806 50 0 DHAARN COc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000000432852 563253311 /nfs/dbraw/zinc/25/33/11/563253311.db2.gz MUSBUMYFUKWHPY-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN Cc1ccc(Nc2nc(Cl)nc(N3CCC(C)CC3)n2)cc1 ZINC000000439499 563253941 /nfs/dbraw/zinc/25/39/41/563253941.db2.gz MYZLMMZFDXUREJ-UHFFFAOYSA-N 0 0 317.824 3.813 50 0 DHAARN COc1ccc(-c2csc(N)c2C(=O)OC(C)C)cc1OC ZINC000000442750 563254636 /nfs/dbraw/zinc/25/46/36/563254636.db2.gz WEHPOCNINSGWET-UHFFFAOYSA-N 0 0 321.398 3.580 50 0 DHAARN Nc1nc2ccccc2n1C(=O)c1c(Cl)cccc1Cl ZINC000000442785 563254657 /nfs/dbraw/zinc/25/46/57/563254657.db2.gz OUOHQXKPDQWQJN-UHFFFAOYSA-N 0 0 306.152 3.614 50 0 DHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(C)=O ZINC000000445787 563255524 /nfs/dbraw/zinc/25/55/24/563255524.db2.gz AZHIEGNIXNJVFD-UHFFFAOYSA-N 0 0 319.382 3.559 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)C(Cl)(Cl)Cl ZINC000000450112 563256063 /nfs/dbraw/zinc/25/60/63/563256063.db2.gz PYTDPHFRHFGRPB-UHFFFAOYSA-N 0 0 302.972 3.657 50 0 DHAARN Cc1nnc(SCC(=O)Nc2ccc3ccccc3c2)s1 ZINC000000450744 563256238 /nfs/dbraw/zinc/25/62/38/563256238.db2.gz QSHTUAWNYPRAKQ-UHFFFAOYSA-N 0 0 315.423 3.731 50 0 DHAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2Cl)c1 ZINC000000451204 563256242 /nfs/dbraw/zinc/25/62/42/563256242.db2.gz LTLAVLDTCQUBFZ-LLVKDONJSA-N 0 0 319.788 3.848 50 0 DHAARN O=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000000454568 563257073 /nfs/dbraw/zinc/25/70/73/563257073.db2.gz WYAZTZDWAVVLKG-UHFFFAOYSA-N 0 0 309.134 3.980 50 0 DHAARN C/C(=C/c1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000463354 563259034 /nfs/dbraw/zinc/25/90/34/563259034.db2.gz ITKPHJJQDYEBHG-NXVVXOECSA-N 0 0 324.399 3.578 50 0 DHAARN Cc1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)c(C)c1 ZINC000000467590 563259469 /nfs/dbraw/zinc/25/94/69/563259469.db2.gz FFGCUHRMPQSSBX-UHFFFAOYSA-N 0 0 308.425 3.574 50 0 DHAARN CCc1c(C)c2ccc(OCC(=O)C(C)(C)C)cc2oc1=O ZINC000000464841 563259597 /nfs/dbraw/zinc/25/95/97/563259597.db2.gz QQEZZOHBVWBUAF-UHFFFAOYSA-N 0 0 302.370 3.658 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000471264 563260717 /nfs/dbraw/zinc/26/07/17/563260717.db2.gz UXIXLUXRWDMMDW-JHGNMZQASA-N 0 0 313.441 3.785 50 0 DHAARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccco1 ZINC000000473834 563261213 /nfs/dbraw/zinc/26/12/13/563261213.db2.gz VSQWPWFIMGAUPU-UHFFFAOYSA-N 0 0 323.171 3.904 50 0 DHAARN CCc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000000476207 563261585 /nfs/dbraw/zinc/26/15/85/563261585.db2.gz WWEUMKOARHSXNY-PKNBQFBNSA-N 0 0 311.381 3.918 50 0 DHAARN CC(C)COC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000000476415 563261709 /nfs/dbraw/zinc/26/17/09/563261709.db2.gz HWCOEPXPBKOBJD-MDZDMXLPSA-N 0 0 313.353 3.744 50 0 DHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000000475091 563261859 /nfs/dbraw/zinc/26/18/59/563261859.db2.gz OPSTWQIUBWCWLG-QWHCGFSZSA-N 0 0 303.789 3.985 50 0 DHAARN O=C(CSc1ccc(Br)cc1)N1CCCCC1 ZINC000000479739 563262309 /nfs/dbraw/zinc/26/23/09/563262309.db2.gz JVWQRPBKGRXMIC-UHFFFAOYSA-N 0 0 314.248 3.554 50 0 DHAARN CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000477013 563262421 /nfs/dbraw/zinc/26/24/21/563262421.db2.gz OTMSRPNZUAYNHX-SFHVURJKSA-N 0 0 323.392 3.521 50 0 DHAARN O=C1c2cccc(Cl)c2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000000482636 563262791 /nfs/dbraw/zinc/26/27/91/563262791.db2.gz UKGGWYKAGNAFHW-UHFFFAOYSA-N 0 0 310.111 3.933 50 0 DHAARN COc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn32)c1 ZINC000000529682 563264657 /nfs/dbraw/zinc/26/46/57/563264657.db2.gz BJDVBUJGAZUGOM-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000000528067 563264768 /nfs/dbraw/zinc/26/47/68/563264768.db2.gz HSXPUJVWTUUXKW-UHFFFAOYSA-N 0 0 305.443 3.799 50 0 DHAARN CCOc1ccc(-c2nnc3sc(-c4ccco4)nn32)cc1 ZINC000000524875 563264870 /nfs/dbraw/zinc/26/48/70/563264870.db2.gz FBJGXRPRGDTJRJ-UHFFFAOYSA-N 0 0 312.354 3.512 50 0 DHAARN CN(C)c1ncc2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O ZINC000000538218 563265311 /nfs/dbraw/zinc/26/53/11/563265311.db2.gz FQVIVDHLNNQSOM-AWEZNQCLSA-N 0 0 323.440 3.753 50 0 DHAARN COc1cccc(-c2nnc3sc(-c4cccc(C)c4)nn32)c1 ZINC000000532249 563265492 /nfs/dbraw/zinc/26/54/92/563265492.db2.gz ZZBUCHHCULUGJC-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN Cc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1Cl ZINC000000545768 563265615 /nfs/dbraw/zinc/26/56/15/563265615.db2.gz NXTXLQLMWIKZBZ-UHFFFAOYSA-N 0 0 322.147 3.559 50 0 DHAARN Cc1cccc(-n2ncc3c2ncnc3NCc2ccccc2)c1 ZINC000000552524 563265853 /nfs/dbraw/zinc/26/58/53/563265853.db2.gz CWFXOHOYOFDPNY-UHFFFAOYSA-N 0 0 315.380 3.736 50 0 DHAARN Cc1cccc(OCC(=O)Nc2cccc3ncccc32)c1C ZINC000000556619 563266078 /nfs/dbraw/zinc/26/60/78/563266078.db2.gz SUDYUQRRUSTGIC-UHFFFAOYSA-N 0 0 306.365 3.869 50 0 DHAARN COC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Cl ZINC000000562868 563266565 /nfs/dbraw/zinc/26/65/65/563266565.db2.gz JAOYWEOUVSKTKN-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN CCc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1 ZINC000000566802 563267242 /nfs/dbraw/zinc/26/72/42/563267242.db2.gz FYYDLEQFZFNGOZ-UHFFFAOYSA-N 0 0 319.202 3.967 50 0 DHAARN O=S(=O)(Nc1ccc(F)cc1F)c1ccc2ccccc2c1 ZINC000000582916 563268146 /nfs/dbraw/zinc/26/81/46/563268146.db2.gz FAQHICHFJVWFBK-UHFFFAOYSA-N 0 0 319.332 3.919 50 0 DHAARN COc1ccc(OC)c(NC(=S)Nc2ccc(F)c(F)c2)c1 ZINC000000610419 563268747 /nfs/dbraw/zinc/26/87/47/563268747.db2.gz NBANXZAQKSFPNG-UHFFFAOYSA-N 0 0 324.352 3.791 50 0 DHAARN COc1cc2c(cc1OC)[C@@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000000611909 563268893 /nfs/dbraw/zinc/26/88/93/563268893.db2.gz HZXPPDMHVYOZMN-CQSZACIVSA-N 0 0 311.381 3.795 50 0 DHAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)cc1 ZINC000000613537 563269435 /nfs/dbraw/zinc/26/94/35/563269435.db2.gz PYNTXKFZALEOBX-SFHVURJKSA-N 0 0 312.344 3.532 50 0 DHAARN O=C1NN=C(c2ccc(Cl)cc2)C[C@@H]1c1c[nH]c2ccccc21 ZINC000000614890 563270204 /nfs/dbraw/zinc/27/02/04/563270204.db2.gz NTUAOINAOPHOSG-CQSZACIVSA-N 0 0 323.783 3.829 50 0 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CCOC(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1CC ZINC000001016561 563274619 /nfs/dbraw/zinc/27/46/19/563274619.db2.gz BAXUGZOKHHOEGF-UHFFFAOYSA-N 0 0 300.310 3.587 50 0 DHAARN Cc1c(F)cccc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000001016048 563274741 /nfs/dbraw/zinc/27/47/41/563274741.db2.gz PONPASVJWKWBIL-UHFFFAOYSA-N 0 0 315.373 3.741 50 0 DHAARN O=C1CS[C@@H](c2cccnc2)N1Cc1c(F)cccc1Cl ZINC000001045877 563275741 /nfs/dbraw/zinc/27/57/41/563275741.db2.gz ZXDWQWPSCCMVQI-HNNXBMFYSA-N 0 0 322.792 3.648 50 0 DHAARN Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(F)cc1 ZINC000001053341 563276032 /nfs/dbraw/zinc/27/60/32/563276032.db2.gz FCLWUPMGQFKUNX-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)no1 ZINC000001055047 563276579 /nfs/dbraw/zinc/27/65/79/563276579.db2.gz PJSLFQKPJPVJMF-UHFFFAOYSA-N 0 0 315.554 3.651 50 0 DHAARN CC[C@@H](C)c1ccccc1OCCN1C(=O)c2ccccc2C1=O ZINC000001074937 563277214 /nfs/dbraw/zinc/27/72/14/563277214.db2.gz KQGHYUFKRVPCQK-CQSZACIVSA-N 0 0 323.392 3.875 50 0 DHAARN 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CCOC(=O)Cc1nnc(Nc2ccc(C)cc2)c2ccccc12 ZINC000001244772 563279972 /nfs/dbraw/zinc/27/99/72/563279972.db2.gz LKHILNDGWPENQD-UHFFFAOYSA-N 0 0 321.380 3.787 50 0 DHAARN COC(=O)CSc1cccc2c1C(=O)C[C@@H]2c1ccccc1 ZINC000001383519 563281585 /nfs/dbraw/zinc/28/15/85/563281585.db2.gz XTTMBWTZOBSVCS-CQSZACIVSA-N 0 0 312.390 3.670 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000071885971 563282010 /nfs/dbraw/zinc/28/20/10/563282010.db2.gz UMGBGKGTQJGAFA-ZDUSSCGKSA-N 0 0 315.417 3.811 50 0 DHAARN CCOC(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)cn1 ZINC000001397663 563282775 /nfs/dbraw/zinc/28/27/75/563282775.db2.gz OJPNKQSLSRVERW-SNVBAGLBSA-N 0 0 322.817 3.841 50 0 DHAARN CSc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000001405840 563283604 /nfs/dbraw/zinc/28/36/04/563283604.db2.gz AWENPGVEOVOLRY-UHFFFAOYSA-N 0 0 302.424 3.535 50 0 DHAARN COc1ccc(C(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000001556182 563284830 /nfs/dbraw/zinc/28/48/30/563284830.db2.gz USRKPOOINGUBHK-UHFFFAOYSA-N 0 0 321.170 3.697 50 0 DHAARN 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CCOC(=O)CCCCCC(=O)c1ccccc1CN1CCC1 ZINC000002515649 563306301 /nfs/dbraw/zinc/30/63/01/563306301.db2.gz XOYHVBYKBWZVDU-UHFFFAOYSA-N 0 0 317.429 3.589 50 0 DHAARN O=C([O-])[C@H](c1ccccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000002528485 563307610 /nfs/dbraw/zinc/30/76/10/563307610.db2.gz DCASRSISIKYPDD-AWEZNQCLSA-N 0 0 307.802 3.586 50 0 in-vitro DHAARN CC(=O)O[C@@H](C(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000002529413 563307755 /nfs/dbraw/zinc/30/77/55/563307755.db2.gz GVOVJOTZSALQQS-LJQANCHMSA-N 0 0 311.381 3.548 50 0 DHAARN CCOC(=O)c1cc(C)n(Cc2cc(Cl)ccc2Cl)n1 ZINC000002520654 563307790 /nfs/dbraw/zinc/30/77/90/563307790.db2.gz JLVDJFPVQUBIKX-UHFFFAOYSA-N 0 0 313.184 3.723 50 0 DHAARN CCOc1ccc(C=C2SC(=S)NC2=O)c(OCC)c1 ZINC000002536788 563308490 /nfs/dbraw/zinc/30/84/90/563308490.db2.gz VHVMYHWYNQIYTA-KPKJPENVSA-N 0 0 309.412 3.813 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000002551981 563309105 /nfs/dbraw/zinc/30/91/05/563309105.db2.gz VCGBRPKHTMSPQV-UHFFFAOYSA-N 0 0 317.776 3.967 50 0 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CCCCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000002881607 563316808 /nfs/dbraw/zinc/31/68/08/563316808.db2.gz FRQJKYPMAYDHTD-UHFFFAOYSA-N 0 0 301.361 3.935 50 0 DHAARN COc1ccccc1CNC(=O)c1c(C)onc1-c1ccccc1 ZINC000002928654 563318364 /nfs/dbraw/zinc/31/83/64/563318364.db2.gz NLHAYOHFHMPZOC-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN O=C(/C=C/c1ccc(F)cc1)NCCSc1ccccc1 ZINC000002978672 563318745 /nfs/dbraw/zinc/31/87/45/563318745.db2.gz VYKOSVCQOUYGMJ-DHZHZOJOSA-N 0 0 301.386 3.747 50 0 DHAARN COc1cccc(OCCOC(=O)Nc2cccc(Cl)c2)c1 ZINC000002983311 563318850 /nfs/dbraw/zinc/31/88/50/563318850.db2.gz JNYVDGSCIJYYAD-UHFFFAOYSA-N 0 0 321.760 3.976 50 0 DHAARN O=C(COc1ccc(Cl)cc1)NCCSc1ccccc1 ZINC000002984810 563319312 /nfs/dbraw/zinc/31/93/12/563319312.db2.gz WIZUPPOIXZWDTC-UHFFFAOYSA-N 0 0 321.829 3.627 50 0 DHAARN O[C@]1(c2ccc(-c3ccccc3)cc2)COc2ccccc2O1 ZINC000003097088 563321762 /nfs/dbraw/zinc/32/17/62/563321762.db2.gz UKXPKVJCZFFGPB-HXUWFJFHSA-N 0 0 304.345 3.970 50 0 DHAARN 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/nfs/dbraw/zinc/68/61/49/563686149.db2.gz KNWZVMZYOSUFSZ-UHFFFAOYSA-N 0 0 314.747 3.751 50 0 DHAARN Cc1[nH]nc2c1[C@@H](c1cccc3cccnc31)SCC(=O)N2 ZINC000044900895 563686218 /nfs/dbraw/zinc/68/62/18/563686218.db2.gz WRLHQALAFHAIHE-OAHLLOKOSA-N 0 0 310.382 3.691 50 0 DHAARN O=C1CS[C@H](c2ccncc2)c2cnn(-c3ccccc3)c2N1 ZINC000044918331 563686723 /nfs/dbraw/zinc/68/67/23/563686723.db2.gz BDJAQBFXCMLWJM-MRXNPFEDSA-N 0 0 322.393 3.692 50 0 DHAARN O=C(Nc1cccc2ncccc21)c1cc(-c2cccnc2)on1 ZINC000044936274 563687084 /nfs/dbraw/zinc/68/70/84/563687084.db2.gz SXFZANSFGVALKJ-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN C[C@H](CCc1ccco1)NC(=O)N[C@@H](C)c1ccccc1F ZINC000045035706 563687650 /nfs/dbraw/zinc/68/76/50/563687650.db2.gz NIOCEVIHHDLKEQ-OLZOCXBDSA-N 0 0 304.365 3.800 50 0 DHAARN CCCc1sc(C(=O)Nc2c(C)nn(C)c2C)cc1CC ZINC000045000103 563687684 /nfs/dbraw/zinc/68/76/84/563687684.db2.gz FUHVGXGNBGJYLW-UHFFFAOYSA-N 0 0 305.447 3.866 50 0 DHAARN CCN(Cc1ccccc1Cl)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000045396724 563689159 /nfs/dbraw/zinc/68/91/59/563689159.db2.gz VJFKMROLTXGSPX-UHFFFAOYSA-N 0 0 304.777 3.533 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(O)cc1 ZINC000045529287 563689288 /nfs/dbraw/zinc/68/92/88/563689288.db2.gz QWPMBZUDAKJRQX-HNNXBMFYSA-N 0 0 316.426 3.673 50 0 DHAARN CC(C)C(=O)N1CCC(NC(=O)CCCC2CCCCC2)CC1 ZINC000045434152 563689458 /nfs/dbraw/zinc/68/94/58/563689458.db2.gz IYBMTISDOACCGW-UHFFFAOYSA-N 0 0 322.493 3.500 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000051354288 563690183 /nfs/dbraw/zinc/69/01/83/563690183.db2.gz UCURJVGAHFXOGM-UHFFFAOYSA-N 0 0 320.295 3.786 50 0 DHAARN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c1 ZINC000046017969 563691050 /nfs/dbraw/zinc/69/10/50/563691050.db2.gz YXSKBTBOVNDATM-INIZCTEOSA-N 0 0 309.365 3.701 50 0 DHAARN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)n1ccnc1 ZINC000047918632 563692323 /nfs/dbraw/zinc/69/23/23/563692323.db2.gz JBADFLUPLGUJKU-OAHLLOKOSA-N 0 0 305.381 3.674 50 0 DHAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C ZINC000004083873 563692448 /nfs/dbraw/zinc/69/24/48/563692448.db2.gz CMRJPMODSSEAPL-FYQPLNBISA-N 0 0 312.409 3.900 50 0 biogenic,in-man DHAARN CCSc1ccccc1NC(=O)NCc1nc(C)cs1 ZINC000047857260 563692810 /nfs/dbraw/zinc/69/28/10/563692810.db2.gz UJFLPVKVIJOTTH-UHFFFAOYSA-N 0 0 307.444 3.885 50 0 DHAARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@H](C)c2cccnc2)c1 ZINC000048242121 563694033 /nfs/dbraw/zinc/69/40/33/563694033.db2.gz MTARYGDOUJFTKF-OLZOCXBDSA-N 0 0 318.804 3.688 50 0 DHAARN C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCSc2ccccc21 ZINC000048253720 563695104 /nfs/dbraw/zinc/69/51/04/563695104.db2.gz CAOGGRJYXQDYGS-DOMZBBRYSA-N 0 0 316.426 3.747 50 0 DHAARN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2noc(C(C)(C)C)n2)o1 ZINC000048302900 563695581 /nfs/dbraw/zinc/69/55/81/563695581.db2.gz FVOMCYOBYSTLAV-DGCLKSJQSA-N 0 0 303.406 3.716 50 0 DHAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C[C@H]2C=CCC2)c1 ZINC000048331733 563696302 /nfs/dbraw/zinc/69/63/02/563696302.db2.gz UFYLLASLAFWIGI-GJZGRUSLSA-N 0 0 314.429 3.644 50 0 DHAARN C[C@@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 ZINC000048333353 563696569 /nfs/dbraw/zinc/69/65/69/563696569.db2.gz KJGZGQWPECOTKO-WFASDCNBSA-N 0 0 303.431 3.553 50 0 DHAARN C[C@H](NC(=O)Nc1ccc(N(C)C)nc1)c1ccc(Cl)s1 ZINC000048332130 563696900 /nfs/dbraw/zinc/69/69/00/563696900.db2.gz DOMJIUOGNUHLIB-VIFPVBQESA-N 0 0 324.837 3.745 50 0 DHAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 ZINC000048331752 563697008 /nfs/dbraw/zinc/69/70/08/563697008.db2.gz YSOKLTXJJVGHJR-GOEBONIOSA-N 0 0 314.429 3.644 50 0 DHAARN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 ZINC000048331749 563697103 /nfs/dbraw/zinc/69/71/03/563697103.db2.gz YSOKLTXJJVGHJR-ZBFHGGJFSA-N 0 0 314.429 3.644 50 0 DHAARN Cc1ccc(-c2nnc(CN3CCC[C@H]3c3ccc[nH]3)o2)cc1 ZINC000048355847 563697600 /nfs/dbraw/zinc/69/76/00/563697600.db2.gz RADAGCLNQCVRFV-INIZCTEOSA-N 0 0 308.385 3.710 50 0 DHAARN COCCN(Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000048355918 563697631 /nfs/dbraw/zinc/69/76/31/563697631.db2.gz RNHCXUQULBSYRB-UHFFFAOYSA-N 0 0 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3.620 50 0 DHAARN Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000012784161 563831561 /nfs/dbraw/zinc/83/15/61/563831561.db2.gz LRQRAQOUPKTIII-MRXNPFEDSA-N 0 0 319.408 3.980 50 0 DHAARN C[C@@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1ncc[nH]1 ZINC000084980620 563832048 /nfs/dbraw/zinc/83/20/48/563832048.db2.gz RIAHBVCEPWBTIH-GFCCVEGCSA-N 0 0 324.409 3.591 50 0 DHAARN Cc1sc2nc(-c3cccs3)nc(NCCCO)c2c1C ZINC000012814488 563836357 /nfs/dbraw/zinc/83/63/57/563836357.db2.gz RFZBEHQBBKKQDK-UHFFFAOYSA-N 0 0 319.455 3.831 50 0 DHAARN CCCc1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000085473052 563838380 /nfs/dbraw/zinc/83/83/80/563838380.db2.gz YJBLMJZLVDMQDT-HXUWFJFHSA-N 0 0 323.436 3.723 50 0 DHAARN COc1ccc2scc(N3CCc4ccccc4C3)c(=O)c2c1 ZINC000005202555 563839061 /nfs/dbraw/zinc/83/90/61/563839061.db2.gz WWQHVYQVGCNIDR-UHFFFAOYSA-N 0 0 323.417 3.833 50 0 DHAARN COc1ccc(-n2ccnc2S[C@H]2CCCCCC2=O)cc1 ZINC000026048899 563839694 /nfs/dbraw/zinc/83/96/94/563839694.db2.gz IDARTZIDWUKOKP-INIZCTEOSA-N 0 0 316.426 3.875 50 0 DHAARN CC[C@H](NC(=O)N(C)CCc1cccs1)c1nccs1 ZINC000074365511 563845462 /nfs/dbraw/zinc/84/54/62/563845462.db2.gz UAMUTYFEFWIJEU-LBPRGKRZSA-N 0 0 309.460 3.540 50 0 DHAARN COC(=O)C[C@H]1C(=O)[C@H]2C[C@H](C2(C)C)[C@@]1(C)Cc1ccccc1 ZINC000071786463 563848715 /nfs/dbraw/zinc/84/87/15/563848715.db2.gz XTUCBJDEOOIASZ-ASKKUZCQSA-N 0 0 314.425 3.660 50 0 DHAARN O=C(Cc1csc(-c2ccco2)n1)NCC1CCCCC1 ZINC000012874704 563850517 /nfs/dbraw/zinc/85/05/17/563850517.db2.gz BWCZUDSYSZZACF-UHFFFAOYSA-N 0 0 304.415 3.642 50 0 DHAARN COc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2C)cc1F ZINC000035269004 563851134 /nfs/dbraw/zinc/85/11/34/563851134.db2.gz ZFMDRZKMMTYRLS-XUJVJEKNSA-N 0 0 308.397 3.773 50 0 DHAARN O=C(N[C@H](c1ccccc1)C1CC1)c1cnn(-c2ccccc2)c1 ZINC000012899258 563852621 /nfs/dbraw/zinc/85/26/21/563852621.db2.gz RIZPSGRVZLHSGU-LJQANCHMSA-N 0 0 317.392 3.753 50 0 DHAARN COc1ccccc1CNC(=O)N[C@H](C)CCc1ccccc1 ZINC000012916048 563853639 /nfs/dbraw/zinc/85/36/39/563853639.db2.gz TVXIRQXEOZGTSF-OAHLLOKOSA-N 0 0 312.413 3.516 50 0 DHAARN Cc1cnc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000012915682 563853975 /nfs/dbraw/zinc/85/39/75/563853975.db2.gz OAVLHJVHJVXEKW-JTQLQIEISA-N 0 0 324.211 3.925 50 0 DHAARN CCN1c2ccccc2S/C1=C1\N=C(c2ccccc2)OC1=O ZINC000102013388 563857728 /nfs/dbraw/zinc/85/77/28/563857728.db2.gz ONDNRSSGBQIXAB-ICFOKQHNSA-N 0 0 322.389 3.791 50 0 DHAARN Cc1ccc(NC(=O)NC2(CCO)CCCCC2)cc1Cl ZINC000075106558 563859616 /nfs/dbraw/zinc/85/96/16/563859616.db2.gz DWPHKKSMKTUIHT-UHFFFAOYSA-N 0 0 310.825 3.855 50 0 DHAARN COc1ccc(C)cc1C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000075107311 563859854 /nfs/dbraw/zinc/85/98/54/563859854.db2.gz CFARNYQIQHYBHP-KRWDZBQOSA-N 0 0 312.413 3.568 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000075138341 563860800 /nfs/dbraw/zinc/86/08/00/563860800.db2.gz PCIZHQXDLFXJQE-UHFFFAOYSA-N 0 0 305.284 3.567 50 0 DHAARN C[C@](O)(CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccco1 ZINC000075156238 563861125 /nfs/dbraw/zinc/86/11/25/563861125.db2.gz URWPVFPKTDOXIN-FQEVSTJZSA-N 0 0 321.376 3.584 50 0 DHAARN CCC12C[C@H]3C[C@@H](C1)CC(NC(=O)Nc1nnc(C)s1)(C3)C2 ZINC000063833092 563861977 /nfs/dbraw/zinc/86/19/77/563861977.db2.gz QCYBJKASYJTORK-RJAIZQQDSA-N 0 0 320.462 3.717 50 0 DHAARN Cc1nnc2c3c4c(sc3nc(-c3cccnc3)n12)CCCC4 ZINC000075260782 563862401 /nfs/dbraw/zinc/86/24/01/563862401.db2.gz GHEQHPYVFIBKKB-UHFFFAOYSA-N 0 0 321.409 3.588 50 0 DHAARN CCCC(=O)NCCCc1nc2ccccc2n1CC(C)C ZINC000002460936 563866307 /nfs/dbraw/zinc/86/63/07/563866307.db2.gz ZOQKDFVAQRHHGA-UHFFFAOYSA-N 0 0 301.434 3.541 50 0 DHAARN O=C(NCCc1cccc(O)c1)c1cc2c(s1)CCCCC2 ZINC000063866507 563866642 /nfs/dbraw/zinc/86/66/42/563866642.db2.gz YODKCJGUFNWLGP-UHFFFAOYSA-N 0 0 315.438 3.695 50 0 DHAARN O=C(CCc1ccccc1F)NCc1cncc(-c2ccco2)c1 ZINC000575617429 563867012 /nfs/dbraw/zinc/86/70/12/563867012.db2.gz AKQRHCOCDICSEV-UHFFFAOYSA-N 0 0 324.355 3.730 50 0 DHAARN Cn1cnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21 ZINC000035453286 563867089 /nfs/dbraw/zinc/86/70/89/563867089.db2.gz RVNPLDAECVJYHF-UHFFFAOYSA-N 0 0 324.771 3.868 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)n1ncc2ccccc21 ZINC000035422221 563867397 /nfs/dbraw/zinc/86/73/97/563867397.db2.gz CURBMWNZETYYTO-UHFFFAOYSA-N 0 0 301.733 3.779 50 0 DHAARN CCn1cnc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc21 ZINC000035453446 563867413 /nfs/dbraw/zinc/86/74/13/563867413.db2.gz FPQWEWNCKBUVEL-UHFFFAOYSA-N 0 0 308.316 3.912 50 0 DHAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1cccc(F)c1 ZINC000035476365 563867704 /nfs/dbraw/zinc/86/77/04/563867704.db2.gz LJANKTVOVJNYER-HNNXBMFYSA-N 0 0 313.328 3.532 50 0 DHAARN CCn1cnc2cc(-c3noc(-c4cccc(F)c4)n3)ccc21 ZINC000035453521 563867714 /nfs/dbraw/zinc/86/77/14/563867714.db2.gz AQHZQCFBILACLT-UHFFFAOYSA-N 0 0 308.316 3.912 50 0 DHAARN O=C(NCc1nccnc1-c1ccsc1)Nc1cccs1 ZINC000575618307 563867778 /nfs/dbraw/zinc/86/77/78/563867778.db2.gz GSDIFJIDNRUVPQ-UHFFFAOYSA-N 0 0 316.411 3.588 50 0 DHAARN Cc1oncc1C(=O)N[C@H](C)Cc1csc2ccccc12 ZINC000575621828 563868216 /nfs/dbraw/zinc/86/82/16/563868216.db2.gz VGJGKKFUETZLLN-SNVBAGLBSA-N 0 0 300.383 3.559 50 0 DHAARN COc1cccc(C(=O)NCCCO[C@H](C)c2ccccc2)c1 ZINC000012971566 563871436 /nfs/dbraw/zinc/87/14/36/563871436.db2.gz QPOCTOZMGSMSPD-OAHLLOKOSA-N 0 0 313.397 3.593 50 0 DHAARN CCN(Cc1ccccc1NC(=O)Nc1ccsc1)C(C)=O ZINC000191161140 563871616 /nfs/dbraw/zinc/87/16/16/563871616.db2.gz SYHHWTGQBSWEME-UHFFFAOYSA-N 0 0 317.414 3.761 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)no1 ZINC000035539495 563872095 /nfs/dbraw/zinc/87/20/95/563872095.db2.gz SLMHJDQZCOWZPY-UHFFFAOYSA-N 0 0 315.279 3.576 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)c3cc(C)cc(C)c3)c2)no1 ZINC000035539507 563872139 /nfs/dbraw/zinc/87/21/39/563872139.db2.gz KBJUBMLQVJQTOJ-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN Cc1nc(-c2cc(NC(=O)c3ccc(F)cc3)c(C)s2)no1 ZINC000035554606 563872253 /nfs/dbraw/zinc/87/22/53/563872253.db2.gz LOKSYKPLVGZTMN-UHFFFAOYSA-N 0 0 317.345 3.806 50 0 DHAARN CCc1nc(-c2cccc(NC(=O)c3cccc(OC)c3)c2)no1 ZINC000035539628 563872306 /nfs/dbraw/zinc/87/23/06/563872306.db2.gz OWWWZFWOZHGPMB-UHFFFAOYSA-N 0 0 323.352 3.560 50 0 DHAARN C[C@H]1CCN(C(=O)Nc2ccc(F)cn2)[C@@H](c2ccco2)C1 ZINC000123012912 563872935 /nfs/dbraw/zinc/87/29/35/563872935.db2.gz VJRQJPQMAAWBHY-WCQYABFASA-N 0 0 303.337 3.819 50 0 DHAARN O=C(/C=C/c1cccs1)Nc1ccccc1Cn1cccn1 ZINC000032832856 563873350 /nfs/dbraw/zinc/87/33/50/563873350.db2.gz ZYOWVNGCVXRUQZ-CMDGGOBGSA-N 0 0 309.394 3.645 50 0 DHAARN Cc1ccc(C(=O)NCCCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000035673154 563873935 /nfs/dbraw/zinc/87/39/35/563873935.db2.gz BFUASVNNIWSSSC-UHFFFAOYSA-N 0 0 324.424 3.761 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1C ZINC000013000229 563874462 /nfs/dbraw/zinc/87/44/62/563874462.db2.gz UWTZWXAWRDRVBK-UHFFFAOYSA-N 0 0 308.337 3.952 50 0 DHAARN O=C(Nc1ccccn1)C1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000064289695 563874473 /nfs/dbraw/zinc/87/44/73/563874473.db2.gz XJHRNGLMACGXNN-UHFFFAOYSA-N 0 0 324.380 3.651 50 0 DHAARN CC(C)Oc1cc(N2N=CCCN(C)C2=O)c(F)cc1Cl ZINC000075285923 563874503 /nfs/dbraw/zinc/87/45/03/563874503.db2.gz HLGULHUMFJGXRZ-UHFFFAOYSA-N 0 0 313.760 3.514 50 0 DHAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2nc1C ZINC000013001104 563875080 /nfs/dbraw/zinc/87/50/80/563875080.db2.gz NHKAUWZZHDQJQB-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN CC(=O)N[C@H](C)c1ccc(C(=O)c2cc3ccccc3o2)cc1 ZINC000013007418 563875578 /nfs/dbraw/zinc/87/55/78/563875578.db2.gz YWYHZIMIDALQDA-GFCCVEGCSA-N 0 0 307.349 3.861 50 0 DHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1F ZINC000013009621 563875652 /nfs/dbraw/zinc/87/56/52/563875652.db2.gz GDQIUQOXAAZLAB-CQSZACIVSA-N 0 0 305.349 3.932 50 0 DHAARN Cc1ccc([C@@H]2CCCN2Cc2nc(-c3ccco3)no2)cc1 ZINC000013013105 563876156 /nfs/dbraw/zinc/87/61/56/563876156.db2.gz AHXPYYQMJZCRAV-HNNXBMFYSA-N 0 0 309.369 3.975 50 0 DHAARN O=C(NCc1cccs1)Nc1ccnn1C1CCCCC1 ZINC000053919832 563878215 /nfs/dbraw/zinc/87/82/15/563878215.db2.gz YFAUFTPCULCYIT-UHFFFAOYSA-N 0 0 304.419 3.772 50 0 DHAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1c1ccncc1 ZINC000241564255 563880740 /nfs/dbraw/zinc/88/07/40/563880740.db2.gz OSSWBSPCRFQXKI-KURKYZTESA-N 0 0 310.372 3.688 50 0 DHAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000245484255 563882186 /nfs/dbraw/zinc/88/21/86/563882186.db2.gz HBUDBVAVBODQEG-FVQHAEBGSA-N 0 0 314.429 3.543 50 0 DHAARN CCOc1cccc(CNC(=O)CCc2cccc3[nH]ccc32)c1 ZINC000075550525 563883480 /nfs/dbraw/zinc/88/34/80/563883480.db2.gz ZYMAZEBUNRASAH-UHFFFAOYSA-N 0 0 322.408 3.816 50 0 DHAARN Cc1nc(-c2c(C)cc(C)nc2NC(=O)c2ccccc2C)no1 ZINC000075550933 563883913 /nfs/dbraw/zinc/88/39/13/563883913.db2.gz BJMAJRSIBHWJTP-UHFFFAOYSA-N 0 0 322.368 3.618 50 0 DHAARN CC(=O)[C@H](C)Oc1c(=O)c2ccc(C)cc2oc1-c1ccco1 ZINC000001910959 563884866 /nfs/dbraw/zinc/88/48/66/563884866.db2.gz JXRJPXUNWALSCF-LBPRGKRZSA-N 0 0 312.321 3.718 50 0 DHAARN COC(=O)Nc1cccc(NCc2nnc(-c3ccccc3)o2)c1 ZINC000089401213 563885297 /nfs/dbraw/zinc/88/52/97/563885297.db2.gz AFFHNQFKUJSFNE-UHFFFAOYSA-N 0 0 324.340 3.527 50 0 DHAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc2[nH]ncc21 ZINC000075635127 563885439 /nfs/dbraw/zinc/88/54/39/563885439.db2.gz QTVOPMNKKZCJDO-SFHVURJKSA-N 0 0 322.412 3.659 50 0 DHAARN Cc1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1C ZINC000001993401 563886645 /nfs/dbraw/zinc/88/66/45/563886645.db2.gz WIEOWGBRCCPFSY-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN CCn1cc([C@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000000491216 563887232 /nfs/dbraw/zinc/88/72/32/563887232.db2.gz RJFUMUUJPFDMOX-MRXNPFEDSA-N 0 0 318.376 3.708 50 0 biogenic DHAARN CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(C)s2)cc1 ZINC000054313196 563891192 /nfs/dbraw/zinc/89/11/92/563891192.db2.gz UKJKFLPSFWAVIB-UHFFFAOYSA-N 0 0 318.398 3.902 50 0 DHAARN Cc1ccc(-c2cc(CN(C)C(=O)CC(C)C)no2)c(C)c1 ZINC000036012398 563891575 /nfs/dbraw/zinc/89/15/75/563891575.db2.gz DSFLZFVSZYUPFX-UHFFFAOYSA-N 0 0 300.402 3.963 50 0 DHAARN Cc1ccc(COC2CN(C(=O)c3ccccc3Cl)C2)cc1 ZINC000064665749 563892190 /nfs/dbraw/zinc/89/21/90/563892190.db2.gz IDRYJNOSULQWKH-UHFFFAOYSA-N 0 0 315.800 3.690 50 0 DHAARN C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)C[C@H](C)O1 ZINC000036022439 563892207 /nfs/dbraw/zinc/89/22/07/563892207.db2.gz LKWNBNQTKONFGF-BETUJISGSA-N 0 0 301.411 3.665 50 0 DHAARN CCCNC(=O)c1ccc2cnn(Cc3ccc(C)cc3)c2c1 ZINC000064664848 563892233 /nfs/dbraw/zinc/89/22/33/563892233.db2.gz ARKPMJXGQFEHNA-UHFFFAOYSA-N 0 0 307.397 3.533 50 0 DHAARN C[C@@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000007972898 563892251 /nfs/dbraw/zinc/89/22/51/563892251.db2.gz LFCRLAPAKXUKJH-GFCCVEGCSA-N 0 0 322.330 3.995 50 0 DHAARN Cc1ccccc1CNC(=O)c1cnc(-c2ccccc2)nc1C ZINC000064664147 563892376 /nfs/dbraw/zinc/89/23/76/563892376.db2.gz XMRPSWJZPZHLBO-UHFFFAOYSA-N 0 0 317.392 3.690 50 0 DHAARN CCC[C@@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000036097917 563892814 /nfs/dbraw/zinc/89/28/14/563892814.db2.gz HHGFSAWPPHMQQD-QGZVFWFLSA-N 0 0 305.393 3.890 50 0 DHAARN CCC[C@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000036097916 563893116 /nfs/dbraw/zinc/89/31/16/563893116.db2.gz HHGFSAWPPHMQQD-KRWDZBQOSA-N 0 0 305.393 3.890 50 0 DHAARN Cc1ccc(NC(=O)c2cc(C(C)C)n3nccc3n2)c(F)c1 ZINC000064760802 563893337 /nfs/dbraw/zinc/89/33/37/563893337.db2.gz YGAAXCWZNUSDRS-UHFFFAOYSA-N 0 0 312.348 3.553 50 0 DHAARN CCCN(Cc1csc(COc2ccccc2C)n1)C(C)=O ZINC000036114887 563894428 /nfs/dbraw/zinc/89/44/28/563894428.db2.gz KJJODAOAJDTMJE-UHFFFAOYSA-N 0 0 318.442 3.789 50 0 DHAARN O=C(NC1CCCCCC1)c1cccc2c1SCCC2=O ZINC000006841507 563896427 /nfs/dbraw/zinc/89/64/27/563896427.db2.gz GTSGXHWYGWGGQM-UHFFFAOYSA-N 0 0 303.427 3.818 50 0 DHAARN CCCc1c(C(=O)NCc2ccco2)cnn1-c1ccc(C)cc1 ZINC000006869742 563897514 /nfs/dbraw/zinc/89/75/14/563897514.db2.gz HFIDPRPWZXEFOU-UHFFFAOYSA-N 0 0 323.396 3.656 50 0 DHAARN COc1ccccc1CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000006879459 563897830 /nfs/dbraw/zinc/89/78/30/563897830.db2.gz FMMHMPDEQHSJDU-UHFFFAOYSA-N 0 0 323.314 3.573 50 0 DHAARN CCOCc1ccccc1CNC(=O)N[C@H](C)c1ccccc1 ZINC000036392344 563897924 /nfs/dbraw/zinc/89/79/24/563897924.db2.gz KOADGXRDTFWIJL-OAHLLOKOSA-N 0 0 312.413 3.784 50 0 DHAARN CC(C)CN1C(=S)N=NC1c1cc(Br)cs1 ZINC000006883848 563898331 /nfs/dbraw/zinc/89/83/31/563898331.db2.gz XUCWRNMLQDUQPW-UHFFFAOYSA-N 0 0 318.265 3.714 50 0 DHAARN CCc1ccc(NC(=O)[C@H](C)SC(=S)N(CC)CC)cc1 ZINC000006881839 563898405 /nfs/dbraw/zinc/89/84/05/563898405.db2.gz PZYZZJMRBADDQV-LBPRGKRZSA-N 0 0 324.515 3.936 50 0 DHAARN O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@@H]1c1ccco1 ZINC000036393641 563898415 /nfs/dbraw/zinc/89/84/15/563898415.db2.gz CJVAYZIZQGEZTB-QGZVFWFLSA-N 0 0 317.348 3.666 50 0 DHAARN CCCCCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000006888011 563898630 /nfs/dbraw/zinc/89/86/30/563898630.db2.gz KWNMOXZRLQSIPE-UHFFFAOYSA-N 0 0 323.396 3.806 50 0 DHAARN Clc1ccc(Nc2ncnc3c2nc2n3CCCCC2)cc1 ZINC000006932816 563899610 /nfs/dbraw/zinc/89/96/10/563899610.db2.gz DWGZISYAMLYGBQ-UHFFFAOYSA-N 0 0 313.792 3.950 50 0 DHAARN S=C1N=NC(Cc2cccs2)N1Cc1ccc(Cl)cc1 ZINC000006926705 563899648 /nfs/dbraw/zinc/89/96/48/563899648.db2.gz NCOLFZCRNOTASM-UHFFFAOYSA-N 0 0 321.858 3.921 50 0 DHAARN CC1=C(C(=O)Nc2ccccc2C)C2(CCCCCC2)OC1=O ZINC000006933582 563899788 /nfs/dbraw/zinc/89/97/88/563899788.db2.gz GWYNCAGBEXPVBW-UHFFFAOYSA-N 0 0 313.397 3.900 50 0 biogenic DHAARN CC(C)(C)C(=O)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135305 563899833 /nfs/dbraw/zinc/89/98/33/563899833.db2.gz GGLVMVAONMHCSP-INIZCTEOSA-N 0 0 323.440 3.896 50 0 DHAARN Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)no2)c1 ZINC000065152974 563900388 /nfs/dbraw/zinc/90/03/88/563900388.db2.gz JSTVYWOQJPSSDL-UHFFFAOYSA-N 0 0 314.366 3.729 50 0 DHAARN O=C(C1CCCCC1)N1CCC(CCOc2ccncc2)CC1 ZINC000065181037 563900650 /nfs/dbraw/zinc/90/06/50/563900650.db2.gz OKVFUDOHFPXYCC-UHFFFAOYSA-N 0 0 316.445 3.669 50 0 DHAARN Cn1cc(C(=O)Nc2ccc(F)cc2Cl)c2cccnc21 ZINC000065216560 563900851 /nfs/dbraw/zinc/90/08/51/563900851.db2.gz WLRKPNXWWBLECO-UHFFFAOYSA-N 0 0 303.724 3.618 50 0 DHAARN O=C(COC(=O)c1cc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000006999846 563900867 /nfs/dbraw/zinc/90/08/67/563900867.db2.gz JIWVIPHKLIDNNP-UHFFFAOYSA-N 0 0 320.797 3.930 50 0 DHAARN C[C@H](Sc1ncccn1)c1nnc(-c2ccc(F)cc2)o1 ZINC000006986840 563900948 /nfs/dbraw/zinc/90/09/48/563900948.db2.gz NRNRHGKBCNQUEQ-VIFPVBQESA-N 0 0 302.334 3.519 50 0 DHAARN O=C(Cc1cccs1)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000036632610 563901821 /nfs/dbraw/zinc/90/18/21/563901821.db2.gz ZYGPAGBBRDZKNY-UHFFFAOYSA-N 0 0 323.421 3.604 50 0 DHAARN O=C(NC1CCCCCC1)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000036623989 563901912 /nfs/dbraw/zinc/90/19/12/563901912.db2.gz XPGDSYOHZKGIKL-UHFFFAOYSA-N 0 0 321.808 3.630 50 0 DHAARN Cc1oc(C2CCC2)nc1C(=O)N[C@H](C)CCc1ccco1 ZINC000065293579 563902613 /nfs/dbraw/zinc/90/26/13/563902613.db2.gz RUKJCQLNBJQBPP-LLVKDONJSA-N 0 0 302.374 3.595 50 0 DHAARN CC(C)CCC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000036661292 563902623 /nfs/dbraw/zinc/90/26/23/563902623.db2.gz XZRYDMSCDVGIAZ-GRDNDAEWSA-N 0 0 305.418 3.546 50 0 DHAARN FC(F)(F)c1ccc2sc(NC[C@@H]3CCCO3)nc2c1 ZINC000036722672 563903578 /nfs/dbraw/zinc/90/35/78/563903578.db2.gz DTJMZMVZUUEALL-VIFPVBQESA-N 0 0 302.321 3.906 50 0 DHAARN [O-][n+]1ccccc1SCc1csc(Nc2ccccc2)n1 ZINC000036724211 563903652 /nfs/dbraw/zinc/90/36/52/563903652.db2.gz BWPCRPONAXVJKB-UHFFFAOYSA-N 0 0 315.423 3.812 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC ZINC000007141506 563903924 /nfs/dbraw/zinc/90/39/24/563903924.db2.gz JELCBVABTJVVGF-UHFFFAOYSA-N 0 0 323.396 3.554 50 0 DHAARN Cc1cc(C(=O)OCc2cc3ccccc3nc2Cl)on1 ZINC000007226657 563904610 /nfs/dbraw/zinc/90/46/10/563904610.db2.gz WONWUNQLHXVYMG-UHFFFAOYSA-N 0 0 302.717 3.542 50 0 DHAARN Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)c(F)c1 ZINC000007252694 563904959 /nfs/dbraw/zinc/90/49/59/563904959.db2.gz NJSVNVAYYBJFJU-UHFFFAOYSA-N 0 0 319.405 3.580 50 0 DHAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000007308061 563905016 /nfs/dbraw/zinc/90/50/16/563905016.db2.gz KZBYKFUAPZQZEF-AWEZNQCLSA-N 0 0 315.438 3.605 50 0 DHAARN CC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1 ZINC000007312592 563905120 /nfs/dbraw/zinc/90/51/20/563905120.db2.gz NBRYQUNAFPXKDE-LJQANCHMSA-N 0 0 324.424 3.763 50 0 DHAARN Cc1ccc(-c2nnc(NC(=O)Cc3cccs3)s2)cc1 ZINC000007345120 563905402 /nfs/dbraw/zinc/90/54/02/563905402.db2.gz HFQQQQMQBUXNDN-UHFFFAOYSA-N 0 0 315.423 3.756 50 0 DHAARN CCOc1ccccc1N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000007370236 563905448 /nfs/dbraw/zinc/90/54/48/563905448.db2.gz PFMAYPCBDNSINS-SFHVURJKSA-N 0 0 310.397 3.517 50 0 DHAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1F ZINC000007364426 563905480 /nfs/dbraw/zinc/90/54/80/563905480.db2.gz HTOUJCDIRYQSEB-KRWDZBQOSA-N 0 0 312.344 3.563 50 0 DHAARN CN(Cc1nc2ccccc2s1)c1ncnc2sccc21 ZINC000007469546 563906514 /nfs/dbraw/zinc/90/65/14/563906514.db2.gz YIPNQRZGZCTFQF-UHFFFAOYSA-N 0 0 312.423 3.937 50 0 DHAARN C[C@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccncc1 ZINC000170592754 563906648 /nfs/dbraw/zinc/90/66/48/563906648.db2.gz LXVYWXSVJJTCIT-XJKSGUPXSA-N 0 0 316.376 3.952 50 0 DHAARN Cc1cc(C)c(CSc2nnc3cc(C)nc(C)n32)c(C)c1 ZINC000170594519 563907061 /nfs/dbraw/zinc/90/70/61/563907061.db2.gz DESUQKXKQBIQTO-UHFFFAOYSA-N 0 0 312.442 3.959 50 0 DHAARN Oc1ccc(Cc2noc(-c3cc(C4CCCC4)no3)n2)cc1 ZINC000170595960 563907065 /nfs/dbraw/zinc/90/70/65/563907065.db2.gz HSQRQSHRZQFMAB-UHFFFAOYSA-N 0 0 311.341 3.679 50 0 DHAARN O=C(Cc1ccc(F)cc1)OCc1ncc(-c2ccccc2)o1 ZINC000007514850 563907398 /nfs/dbraw/zinc/90/73/98/563907398.db2.gz VAUNOQBCGKNMKU-UHFFFAOYSA-N 0 0 311.312 3.767 50 0 DHAARN CN(C)C(=O)c1ccc(CO[C@H]2CCCc3ccccc32)cc1 ZINC000170604748 563907411 /nfs/dbraw/zinc/90/74/11/563907411.db2.gz GBNDIPQDKZESDK-IBGZPJMESA-N 0 0 309.409 3.983 50 0 DHAARN C[C@H](c1ccccc1)[C@](C)(O)c1nc(COc2ccccc2)no1 ZINC000170606712 563907683 /nfs/dbraw/zinc/90/76/83/563907683.db2.gz LFYXLYHMWDYQNY-KUHUBIRLSA-N 0 0 324.380 3.660 50 0 DHAARN Cc1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2=O)c(C)c1 ZINC000037275600 563908121 /nfs/dbraw/zinc/90/81/21/563908121.db2.gz YOAFJADVCJTYNE-QGZVFWFLSA-N 0 0 308.425 3.541 50 0 DHAARN COC(=O)c1ccc(Cl)c(Cn2cnc3ccccc32)c1 ZINC000170615475 563908494 /nfs/dbraw/zinc/90/84/94/563908494.db2.gz XWWXFIGYSYTKQO-UHFFFAOYSA-N 0 0 300.745 3.525 50 0 DHAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(=O)[nH]1 ZINC000170617907 563908499 /nfs/dbraw/zinc/90/84/99/563908499.db2.gz OFKUENOKJAZCED-UHFFFAOYSA-N 0 0 304.305 3.527 50 0 DHAARN CC(C)C[C@@H](C)N(C(=O)[C@@H]1CCOC1)c1ccc2[nH]ccc2c1 ZINC000170620358 563908595 /nfs/dbraw/zinc/90/85/95/563908595.db2.gz HCXSXTUSXPQRNT-GDBMZVCRSA-N 0 0 314.429 3.972 50 0 DHAARN CC(C)C[C@@H](C)N(C(=O)[C@H]1CCOC1)c1ccc2[nH]ccc2c1 ZINC000170620362 563908616 /nfs/dbraw/zinc/90/86/16/563908616.db2.gz HCXSXTUSXPQRNT-ZBFHGGJFSA-N 0 0 314.429 3.972 50 0 DHAARN C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000170626361 563908765 /nfs/dbraw/zinc/90/87/65/563908765.db2.gz BHBOYBNMDSCDFH-BLLLJJGKSA-N 0 0 324.852 3.940 50 0 DHAARN CCc1cc(NC[C@@H]2Cc3ccccc32)nc(-c2ccccn2)n1 ZINC000170623497 563908862 /nfs/dbraw/zinc/90/88/62/563908862.db2.gz MAIZKDVNGAYEMB-HNNXBMFYSA-N 0 0 316.408 3.853 50 0 DHAARN Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)c(C)o1 ZINC000071195620 563909122 /nfs/dbraw/zinc/90/91/22/563909122.db2.gz CCGHUHDCAVEVIO-HNNXBMFYSA-N 0 0 315.417 3.655 50 0 DHAARN O=C1CS[C@@H](c2ccc3c(c2)OCCO3)c2sccc2N1 ZINC000071282882 563909207 /nfs/dbraw/zinc/90/92/07/563909207.db2.gz MJIIGMHNOSUYMF-AWEZNQCLSA-N 0 0 319.407 3.944 50 0 DHAARN O=C(Nc1ccccn1)c1ccc(COc2ccccc2)cc1 ZINC000010056639 563909268 /nfs/dbraw/zinc/90/92/68/563909268.db2.gz AQVMJNBWACULGA-UHFFFAOYSA-N 0 0 304.349 3.913 50 0 DHAARN Cc1csc(-c2cccc(NC(=O)NCc3ccccn3)c2)n1 ZINC000071855076 563909437 /nfs/dbraw/zinc/90/94/37/563909437.db2.gz JNYWISRHODPSOJ-UHFFFAOYSA-N 0 0 324.409 3.835 50 0 DHAARN COc1ccccc1CNC(=O)Nc1cccc(SC)c1 ZINC000013320719 563909486 /nfs/dbraw/zinc/90/94/86/563909486.db2.gz AWXPLMIHGCTNQU-UHFFFAOYSA-N 0 0 302.399 3.739 50 0 DHAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1 ZINC000071854030 563909553 /nfs/dbraw/zinc/90/95/53/563909553.db2.gz BJKGWPLPNMKEMV-SECBINFHSA-N 0 0 322.359 3.857 50 0 DHAARN C[C@H](NC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000013329849 563909620 /nfs/dbraw/zinc/90/96/20/563909620.db2.gz UZKNTQHUVLFRCT-GXSJLCMTSA-N 0 0 317.216 3.533 50 0 DHAARN Cc1cccc(C)c1NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000014291436 563910465 /nfs/dbraw/zinc/91/04/65/563910465.db2.gz POWAYOQMSJZAKS-UHFFFAOYSA-N 0 0 309.818 3.899 50 0 DHAARN COc1ccc([C@H]2CCC(=O)N2Cc2cc(F)cc(F)c2)cc1 ZINC000075876655 563910854 /nfs/dbraw/zinc/91/08/54/563910854.db2.gz ZFRJLWLJXMGEPI-QGZVFWFLSA-N 0 0 317.335 3.837 50 0 DHAARN Cc1cccc(OC(=O)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000089688757 563910952 /nfs/dbraw/zinc/91/09/52/563910952.db2.gz MZGSHPULEVJLSK-UHFFFAOYSA-N 0 0 309.365 3.871 50 0 DHAARN O=C(N[C@H]1COc2ccccc2C1)c1cccc(-c2ccoc2)c1 ZINC000089743508 563911124 /nfs/dbraw/zinc/91/11/24/563911124.db2.gz FAYAWVANPDOBBP-GOSISDBHSA-N 0 0 319.360 3.680 50 0 DHAARN Cn1c(CN2CCC[C@H]2c2ccccc2)nnc1-c1ccccc1 ZINC000089741447 563911131 /nfs/dbraw/zinc/91/11/31/563911131.db2.gz RECDDNNXLZHMJT-SFHVURJKSA-N 0 0 318.424 3.819 50 0 DHAARN c1coc([C@@H]2CCCN2Cc2nnc(-c3cccs3)o2)c1 ZINC000089794506 563911288 /nfs/dbraw/zinc/91/12/88/563911288.db2.gz WOIBUBUGYZJQSR-NSHDSACASA-N 0 0 301.371 3.728 50 0 DHAARN c1cn(-c2ccc(NCc3ccc(-c4cccnc4)o3)cc2)nn1 ZINC000089794108 563911338 /nfs/dbraw/zinc/91/13/38/563911338.db2.gz FPDWTKHDEOXIRR-UHFFFAOYSA-N 0 0 317.352 3.534 50 0 DHAARN CCOc1ccc(F)c(C(=O)N2CCc3ccc(F)cc32)c1F ZINC000089784789 563911341 /nfs/dbraw/zinc/91/13/41/563911341.db2.gz AWDIUVWCZBFZGI-UHFFFAOYSA-N 0 0 321.298 3.706 50 0 DHAARN COc1cc(C(=O)Nc2cncc3ccccc32)cc(OC)c1C ZINC000089762290 563911349 /nfs/dbraw/zinc/91/13/49/563911349.db2.gz BDXXNSIWWNLCRZ-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN CC(C)N(C(=O)Cc1ccon1)c1cccc(C(F)(F)F)c1 ZINC000089869674 563911733 /nfs/dbraw/zinc/91/17/33/563911733.db2.gz BZXOBYJCWTYRJB-UHFFFAOYSA-N 0 0 312.291 3.678 50 0 DHAARN C[C@H](CC(=O)c1ccccc1)NC(=O)c1cccc2[nH]ccc21 ZINC000089894663 563911983 /nfs/dbraw/zinc/91/19/83/563911983.db2.gz NTCZYRVLFOFYSH-CYBMUJFWSA-N 0 0 306.365 3.559 50 0 DHAARN C[C@H](N(C)C(=O)CSCCCc1ccccc1)C1(C)CC1 ZINC000089894141 563911996 /nfs/dbraw/zinc/91/19/96/563911996.db2.gz WIIQDMRMPYNRFV-HNNXBMFYSA-N 0 0 305.487 3.999 50 0 DHAARN C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)n1ccnc1-c1ccccc1 ZINC000089923071 563912096 /nfs/dbraw/zinc/91/20/96/563912096.db2.gz IMQQOVKHAUOSBO-BFYDXBDKSA-N 0 0 311.429 3.806 50 0 DHAARN COC[C@H](C)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000076070714 563912347 /nfs/dbraw/zinc/91/23/47/563912347.db2.gz PEYCLENAMINRKV-LBPRGKRZSA-N 0 0 317.389 3.621 50 0 DHAARN CCc1cnc(CNC(=O)Nc2cccc([C@@H](C)OC)c2)s1 ZINC000076070311 563912397 /nfs/dbraw/zinc/91/23/97/563912397.db2.gz RNHKSRCTHMFGNE-LLVKDONJSA-N 0 0 319.430 3.735 50 0 DHAARN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC000076067689 563912435 /nfs/dbraw/zinc/91/24/35/563912435.db2.gz CLASNBSSHOXEGP-HZPDHXFCSA-N 0 0 307.459 3.579 50 0 DHAARN CCOc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000002875285 563913067 /nfs/dbraw/zinc/91/30/67/563913067.db2.gz YXBAUCCTOABMEW-UHFFFAOYSA-N 0 0 319.364 3.795 50 0 DHAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)c1ccncc1 ZINC000006728960 563913742 /nfs/dbraw/zinc/91/37/42/563913742.db2.gz IVDRFVLFSPGTDK-UHFFFAOYSA-N 0 0 320.396 3.504 50 0 DHAARN CCOc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000002112214 563914276 /nfs/dbraw/zinc/91/42/76/563914276.db2.gz XDLHAHDPPCGSAH-UHFFFAOYSA-N 0 0 323.396 3.931 50 0 biogenic DHAARN CCOC(CSc1ccccc1Br)OCC ZINC000008700424 563914787 /nfs/dbraw/zinc/91/47/87/563914787.db2.gz SDZIZUSDBKSUJL-UHFFFAOYSA-N 0 0 305.237 3.940 50 0 DHAARN COc1cccc2cc(-c3cc(=O)oc4ccc(O)cc43)oc21 ZINC000002126768 563914842 /nfs/dbraw/zinc/91/48/42/563914842.db2.gz WBQSJHIMMDIZDF-UHFFFAOYSA-N 0 0 308.289 3.920 50 0 biogenic DHAARN Cc1cccc(Oc2ccccc2CNC(=O)C2=CCOCC2)c1 ZINC000193179573 563915325 /nfs/dbraw/zinc/91/53/25/563915325.db2.gz SFWHBYVMAYCLEN-UHFFFAOYSA-N 0 0 323.392 3.750 50 0 DHAARN Cc1nn(C(=O)[C@@]2(C)CC2(Cl)Cl)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000002140004 563915471 /nfs/dbraw/zinc/91/54/71/563915471.db2.gz MCUSISQBVWANQN-XPLICSAQSA-N 0 0 313.228 3.711 50 0 biogenic DHAARN COc1ccc(OC)c(NC(=O)Oc2cccc3cccnc32)c1 ZINC000000395385 563915500 /nfs/dbraw/zinc/91/55/00/563915500.db2.gz QLTOEFHUCJSRLY-UHFFFAOYSA-N 0 0 324.336 3.863 50 0 DHAARN COc1c(F)cc(COc2ccc(C(C)(C)O)cc2)cc1F ZINC000252491468 563916016 /nfs/dbraw/zinc/91/60/16/563916016.db2.gz LNBQNVQQAUTHAX-UHFFFAOYSA-N 0 0 308.324 3.780 50 0 DHAARN C[C@@H](c1cccc2ccccc21)N(C)C(=O)C1CCC(O)CC1 ZINC000252494483 563916212 /nfs/dbraw/zinc/91/62/12/563916212.db2.gz NXBZEIFMWJMDJI-OOHWJJMZSA-N 0 0 311.425 3.910 50 0 DHAARN CCc1ccccc1NC(=O)NC[C@@H](c1ccnn1C)C(C)C ZINC000252492399 563916241 /nfs/dbraw/zinc/91/62/41/563916241.db2.gz MLABIAWQSDBLGM-OAHLLOKOSA-N 0 0 314.433 3.544 50 0 DHAARN CCC[C@@H](CC)S(=O)(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000252508064 563916319 /nfs/dbraw/zinc/91/63/19/563916319.db2.gz XBWLADWMFASOPC-CMPLNLGQSA-N 0 0 305.390 3.524 50 0 DHAARN Cc1ccc(NC(=O)c2cc(Cl)cc3c2O[C@@H](C)C3)nc1 ZINC000252509245 563916485 /nfs/dbraw/zinc/91/64/85/563916485.db2.gz YHXAABRIBKBTAC-JTQLQIEISA-N 0 0 302.761 3.619 50 0 DHAARN C[C@H]1Cc2cc(Cl)cc(C(=O)NCCc3ccccc3)c2O1 ZINC000252510435 563916499 /nfs/dbraw/zinc/91/64/99/563916499.db2.gz ZKSBBBYPCWXRBS-LBPRGKRZSA-N 0 0 315.800 3.636 50 0 DHAARN CC1(C)C[C@H](O)c2c(OCc3ccccc3F)cccc2O1 ZINC000252510700 563916564 /nfs/dbraw/zinc/91/65/64/563916564.db2.gz ZOOLCRPQIRLKHL-AWEZNQCLSA-N 0 0 302.345 3.999 50 0 DHAARN O=C(NC[C@H](O)c1csc2ccccc21)Nc1cccs1 ZINC000225699007 563916819 /nfs/dbraw/zinc/91/68/19/563916819.db2.gz LEAXCAAGDAJZPR-LBPRGKRZSA-N 0 0 318.423 3.818 50 0 DHAARN O=C(NC[C@@H](O)c1csc2ccccc21)Nc1cccs1 ZINC000225699033 563916915 /nfs/dbraw/zinc/91/69/15/563916915.db2.gz LEAXCAAGDAJZPR-GFCCVEGCSA-N 0 0 318.423 3.818 50 0 DHAARN O=C(Nc1cccnc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000002186972 563917051 /nfs/dbraw/zinc/91/70/51/563917051.db2.gz PTIZETSPHFSZGB-OLZOCXBDSA-N 0 0 307.180 3.608 50 0 DHAARN Cc1noc([C@@H]2CCCN(Cc3csc(C(C)(C)C)n3)C2)n1 ZINC000054676384 563917104 /nfs/dbraw/zinc/91/71/04/563917104.db2.gz SDHHLGWXOCYPLX-GFCCVEGCSA-N 0 0 320.462 3.512 50 0 DHAARN COc1ccc(CC(=O)Nc2cc(Cl)ccc2F)cc1OC ZINC000007651143 563917768 /nfs/dbraw/zinc/91/77/68/563917768.db2.gz VXXCXALACRVLPN-UHFFFAOYSA-N 0 0 323.751 3.678 50 0 DHAARN O=C(COc1ccccc1)Nc1ccc(-c2nccs2)cc1 ZINC000007684121 563917865 /nfs/dbraw/zinc/91/78/65/563917865.db2.gz MJBPZALRSKPCKT-UHFFFAOYSA-N 0 0 310.378 3.828 50 0 DHAARN CN(C[C@@H]1CCCO1)C(=S)Nc1ccc2ccccc2c1 ZINC000066006398 563919236 /nfs/dbraw/zinc/91/92/36/563919236.db2.gz VUEMCOKOSDDMHN-INIZCTEOSA-N 0 0 300.427 3.647 50 0 DHAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(F)cc2)c1 ZINC000007791713 563919454 /nfs/dbraw/zinc/91/94/54/563919454.db2.gz MHQXNALMGTYLOI-UHFFFAOYSA-N 0 0 303.333 3.875 50 0 DHAARN CC(=O)c1sc(NC(=O)c2ccncc2)nc1-c1ccccc1 ZINC000007799962 563919490 /nfs/dbraw/zinc/91/94/90/563919490.db2.gz XAMGNXUXJBLUEP-UHFFFAOYSA-N 0 0 323.377 3.660 50 0 DHAARN COc1ccc2c(c1)c1ncnc(N3C[C@H](C)C[C@@H](C)C3)c1n2C ZINC000002216740 563919545 /nfs/dbraw/zinc/91/95/45/563919545.db2.gz WUWTVBLBTCIWLU-CHWSQXEVSA-N 0 0 324.428 3.612 50 0 DHAARN O=C(Cc1c(Cl)cccc1Cl)NOCc1ccccc1 ZINC000007791491 563919556 /nfs/dbraw/zinc/91/95/56/563919556.db2.gz SCWAMENJYJHMMW-UHFFFAOYSA-N 0 0 310.180 3.784 50 0 DHAARN CCn1nc(C)c(N[C@@H](C)c2cccc(NC(C)=O)c2)c1C ZINC000195552518 563919651 /nfs/dbraw/zinc/91/96/51/563919651.db2.gz QIDGGSSODVDNBS-NSHDSACASA-N 0 0 300.406 3.651 50 0 DHAARN CC(C)SCc1cccc(NC(=O)NC[C@@H]2CC[C@@H](O)C2)c1 ZINC000195578937 563919745 /nfs/dbraw/zinc/91/97/45/563919745.db2.gz ARJZLJJQDJXTPN-CZUORRHYSA-N 0 0 322.474 3.611 50 0 DHAARN c1nncn1Cc1cccc(NC2CC(c3ccccc3)C2)c1 ZINC000195558506 563919855 /nfs/dbraw/zinc/91/98/55/563919855.db2.gz MDCNFONKMDMZNF-UHFFFAOYSA-N 0 0 304.397 3.685 50 0 DHAARN Cc1nnc(SCc2cc(-c3cccs3)on2)n1C1CC1 ZINC000007825934 563919981 /nfs/dbraw/zinc/91/99/81/563919981.db2.gz DTKHVYPBJSRNQE-UHFFFAOYSA-N 0 0 318.427 3.930 50 0 DHAARN O=C(/C=C/c1ccccc1)OCC(=O)Nc1ccc(Cl)cc1 ZINC000001934058 563920476 /nfs/dbraw/zinc/92/04/76/563920476.db2.gz OZPBCISCEHSKMR-IZZDOVSWSA-N 0 0 315.756 3.535 50 0 DHAARN CC1(C)CCC(C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000153755129 563920503 /nfs/dbraw/zinc/92/05/03/563920503.db2.gz KEVDXDUBVBKYIS-UHFFFAOYSA-N 0 0 316.380 3.561 50 0 DHAARN CCCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000002240835 563920775 /nfs/dbraw/zinc/92/07/75/563920775.db2.gz KVAYYZKFHAVNCS-UHFFFAOYSA-N 0 0 308.381 3.872 50 0 DHAARN O=C(Cc1ccccc1)Nc1c2nsnc2ccc1Cl ZINC000002241444 563920812 /nfs/dbraw/zinc/92/08/12/563920812.db2.gz PCJDYAWPPVAVDO-UHFFFAOYSA-N 0 0 303.774 3.526 50 0 DHAARN CCCOC(=O)N[C@H](CC)COC(=O)Nc1cccc(C)c1C ZINC000003150024 563920813 /nfs/dbraw/zinc/92/08/13/563920813.db2.gz LUHNMBBHYUUTJF-CQSZACIVSA-N 0 0 322.405 3.767 50 0 aggregator DHAARN CCOP(=O)(OCC)[C@@H](O)c1ccc(Br)cc1 ZINC000002277393 563921202 /nfs/dbraw/zinc/92/12/02/563921202.db2.gz OFZFDAPSYVGZIG-LLVKDONJSA-N 0 0 323.123 3.706 50 0 DHAARN CC(C)c1n[nH]cc1C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000253425214 563925133 /nfs/dbraw/zinc/92/51/33/563925133.db2.gz BOMVWJSEUSWLPT-UHFFFAOYSA-N 0 0 313.279 3.510 50 0 DHAARN FC(F)(F)c1ccc(Cl)c(Oc2nccn3cnnc23)c1 ZINC000253423175 563925155 /nfs/dbraw/zinc/92/51/55/563925155.db2.gz UJHJANNECKXOER-UHFFFAOYSA-N 0 0 314.654 3.589 50 0 DHAARN Cc1nnc(CN2CCS[C@H](C)[C@@H]2c2ccccc2)s1 ZINC000253418547 563925193 /nfs/dbraw/zinc/92/51/93/563925193.db2.gz WMROCJQJCATUCH-IAQYHMDHSA-N 0 0 305.472 3.525 50 0 DHAARN O=C1OCCN1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000002292669 563925491 /nfs/dbraw/zinc/92/54/91/563925491.db2.gz BAIVESRDQVZKDB-UHFFFAOYSA-N 0 0 319.253 3.705 50 0 DHAARN C[C@@H](Nc1ncc(Cl)cn1)c1ncc(-c2ccccc2)o1 ZINC000301502738 563925886 /nfs/dbraw/zinc/92/58/86/563925886.db2.gz YCIJCSKTGGOQCS-SNVBAGLBSA-N 0 0 300.749 3.958 50 0 DHAARN Cc1cccc(N[C@H]2SC(=O)N(c3ccccc3C)C2=O)c1 ZINC000002401934 563927968 /nfs/dbraw/zinc/92/79/68/563927968.db2.gz HKXUXOGJKNZHTK-HNNXBMFYSA-N 0 0 312.394 3.941 50 0 DHAARN CCOC(=O)/C=C/CSc1ncnc2c3ccccc3oc21 ZINC000002432424 563928430 /nfs/dbraw/zinc/92/84/30/563928430.db2.gz JKJPQBJDVKSZQG-VMPITWQZSA-N 0 0 314.366 3.587 50 0 DHAARN C[C@H](Cc1cccs1)[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000225475563 563928677 /nfs/dbraw/zinc/92/86/77/563928677.db2.gz XJAVMEMWMUVJQJ-GFCCVEGCSA-N 0 0 323.845 3.919 50 0 DHAARN O=C(CSCc1c(F)cccc1Cl)Nc1cccnc1 ZINC000037867343 563928978 /nfs/dbraw/zinc/92/89/78/563928978.db2.gz IPRNNNRAJMSBMG-UHFFFAOYSA-N 0 0 310.781 3.746 50 0 DHAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)NC1CCC(C)CC1 ZINC000013001591 563929149 /nfs/dbraw/zinc/92/91/49/563929149.db2.gz GWNSHIKLMZJOOE-UHFFFAOYSA-N 0 0 311.857 3.809 50 0 DHAARN CCc1cc2c(cc(C(=O)NCc3cccs3)n2C)s1 ZINC000013368886 563929501 /nfs/dbraw/zinc/92/95/01/563929501.db2.gz JCKBNNBAVHXIHJ-UHFFFAOYSA-N 0 0 304.440 3.794 50 0 DHAARN Cc1ccc(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000007958926 563929627 /nfs/dbraw/zinc/92/96/27/563929627.db2.gz DGMCOCZKECKIJV-HNNXBMFYSA-N 0 0 315.800 3.516 50 0 DHAARN CSc1nc(Cl)ccc1C(=O)NCc1ccccc1F ZINC000079054568 563930283 /nfs/dbraw/zinc/93/02/83/563930283.db2.gz LIXKTZPRIAYXCO-UHFFFAOYSA-N 0 0 310.781 3.526 50 0 DHAARN Cc1nc(C(=O)Nc2ccncc2)c(-c2cccc(F)c2)s1 ZINC000079498408 563930405 /nfs/dbraw/zinc/93/04/05/563930405.db2.gz VXYYHQHPOHSQOF-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN CC(C)n1ccc2c1cccc2C(=O)NCCc1ccccn1 ZINC000079495270 563930579 /nfs/dbraw/zinc/93/05/79/563930579.db2.gz YARSEJTZFIUBDX-UHFFFAOYSA-N 0 0 307.397 3.590 50 0 DHAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1noc2c1CCCC2 ZINC000390829370 563930703 /nfs/dbraw/zinc/93/07/03/563930703.db2.gz DVNBRTIMOMWTLQ-UHFFFAOYSA-N 0 0 322.364 3.743 50 0 DHAARN O=C(NCc1ccc(-c2ccoc2)nc1)c1cccc(Cl)c1 ZINC000390830169 563930777 /nfs/dbraw/zinc/93/07/77/563930777.db2.gz JFGFMYLZBSGYBF-UHFFFAOYSA-N 0 0 312.756 3.925 50 0 DHAARN O=C(c1ccc(C(F)F)cc1)N1CCOC[C@H]1c1ccccc1 ZINC000390834368 563930803 /nfs/dbraw/zinc/93/08/03/563930803.db2.gz XGOFBZBGESGFOO-INIZCTEOSA-N 0 0 317.335 3.838 50 0 DHAARN CCC[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccn1 ZINC000095350495 563931164 /nfs/dbraw/zinc/93/11/64/563931164.db2.gz VKGZCXINBIXQPZ-IRXDYDNUSA-N 0 0 301.434 3.897 50 0 DHAARN CC(C)n1ncnc1CNC(C)(c1ccccc1)c1ccccc1 ZINC000279818600 563931570 /nfs/dbraw/zinc/93/15/70/563931570.db2.gz YLYVEUFWNLSIFX-UHFFFAOYSA-N 0 0 320.440 3.912 50 0 DHAARN Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000007961847 563931766 /nfs/dbraw/zinc/93/17/66/563931766.db2.gz PDCYIDDVALUHPY-UHFFFAOYSA-N 0 0 307.752 3.596 50 0 DHAARN Cc1ocnc1C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000095958467 563932387 /nfs/dbraw/zinc/93/23/87/563932387.db2.gz WDQXHKHCDREKTM-UHFFFAOYSA-N 0 0 306.365 3.922 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)NCc1cccc2cccnc21 ZINC000095956750 563932403 /nfs/dbraw/zinc/93/24/03/563932403.db2.gz ZPDBCPOLGQTGRU-UHFFFAOYSA-N 0 0 309.369 3.585 50 0 DHAARN CC(C)Cn1ccnc1CNC(=O)Nc1cccc(C(F)F)c1 ZINC000095962280 563932551 /nfs/dbraw/zinc/93/25/51/563932551.db2.gz AWOYUQLQDVDPAK-UHFFFAOYSA-N 0 0 322.359 3.798 50 0 DHAARN Cc1ccnc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000095960462 563932571 /nfs/dbraw/zinc/93/25/71/563932571.db2.gz WSUPEQKLRYLVBW-KRWDZBQOSA-N 0 0 318.380 3.577 50 0 DHAARN CC(C)C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccccn1 ZINC000095967384 563932862 /nfs/dbraw/zinc/93/28/62/563932862.db2.gz POFNULPCOJSEBD-ROUUACIJSA-N 0 0 302.393 3.631 50 0 DHAARN CC(C)C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccccn1 ZINC000095967387 563932947 /nfs/dbraw/zinc/93/29/47/563932947.db2.gz POFNULPCOJSEBD-QZTJIDSGSA-N 0 0 302.393 3.631 50 0 DHAARN COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)ccc1OC(F)F ZINC000095967289 563932985 /nfs/dbraw/zinc/93/29/85/563932985.db2.gz BYZNMDOTPVDFBT-GVXVVHGQSA-N 0 0 315.360 3.515 50 0 DHAARN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(F)cc1OC(F)F ZINC000095968476 563933147 /nfs/dbraw/zinc/93/31/47/563933147.db2.gz QAYODACGUWAQHY-VHSXEESVSA-N 0 0 313.323 3.572 50 0 DHAARN C[C@@H](Sc1nnc(CCc2ccccc2)o1)C(F)(F)F ZINC000095971404 563933412 /nfs/dbraw/zinc/93/34/12/563933412.db2.gz XQVUYXDJUKXHKX-SECBINFHSA-N 0 0 302.321 3.898 50 0 DHAARN Cc1ccc2oc(C(=O)N3C[C@H](C)Oc4ncccc43)cc2c1 ZINC000095973370 563933681 /nfs/dbraw/zinc/93/36/81/563933681.db2.gz JYHIIHKNMOEYDV-LBPRGKRZSA-N 0 0 308.337 3.564 50 0 DHAARN COCc1cc(Sc2nc(C)c(C)o2)nc(C(C)(C)C)n1 ZINC000095972998 563933720 /nfs/dbraw/zinc/93/37/20/563933720.db2.gz GQZMGNLTVMAMTO-UHFFFAOYSA-N 0 0 307.419 3.677 50 0 DHAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC000095977885 563933735 /nfs/dbraw/zinc/93/37/35/563933735.db2.gz SKVSTXYDDCMUNE-CQSZACIVSA-N 0 0 321.783 3.796 50 0 DHAARN C[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000095988671 563934230 /nfs/dbraw/zinc/93/42/30/563934230.db2.gz DUGRLGVSAQDDHK-MDZLAQPJSA-N 0 0 315.335 3.698 50 0 DHAARN C[C@@H](Cc1ccsc1)Nc1ccc2c(c1)NC(=O)CS2 ZINC000095990539 563934256 /nfs/dbraw/zinc/93/42/56/563934256.db2.gz WPCNWKOCUGQEKG-JTQLQIEISA-N 0 0 304.440 3.835 50 0 DHAARN Cc1c(C(=O)N2CC3(C2)CCCCC3)cnn1Cc1ccccc1 ZINC000096004265 563934669 /nfs/dbraw/zinc/93/46/69/563934669.db2.gz BLVNEYDKUVDTDE-UHFFFAOYSA-N 0 0 323.440 3.646 50 0 DHAARN Clc1ccccc1CN1CC(c2nc(-c3ccco3)no2)C1 ZINC000096024292 563934915 /nfs/dbraw/zinc/93/49/15/563934915.db2.gz KSOOMBXHWRSULC-UHFFFAOYSA-N 0 0 315.760 3.582 50 0 DHAARN O=C(Nc1nccs1)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183935 563935846 /nfs/dbraw/zinc/93/58/46/563935846.db2.gz KJQVBDVSHVFYJB-UHFFFAOYSA-N 0 0 304.302 3.920 50 0 DHAARN CC(C)Cc1sc(Cl)nc1C(=O)Nc1ccccc1O ZINC000096223778 563935978 /nfs/dbraw/zinc/93/59/78/563935978.db2.gz KCQAYJNNFRDZEQ-UHFFFAOYSA-N 0 0 310.806 3.953 50 0 DHAARN O=C(CCn1ccc2ccccc21)NCc1c(F)cccc1F ZINC000096232021 563935991 /nfs/dbraw/zinc/93/59/91/563935991.db2.gz UWPBMBAWUCMMSN-UHFFFAOYSA-N 0 0 314.335 3.626 50 0 DHAARN CC(=O)Nc1ccc(/C=C\C(=O)N(C)Cc2ccccc2C)cc1 ZINC000096295780 563936180 /nfs/dbraw/zinc/93/61/80/563936180.db2.gz CEGSXJGDKJTFGA-RAXLEYEMSA-N 0 0 322.408 3.625 50 0 DHAARN CO[C@](C)(CNC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000096392322 563936542 /nfs/dbraw/zinc/93/65/42/563936542.db2.gz PIALWCMMVLYPSH-OAHLLOKOSA-N 0 0 309.818 3.693 50 0 DHAARN COc1ccc(F)cc1CSCc1nnc(C(C)(C)C)o1 ZINC000096403351 563936589 /nfs/dbraw/zinc/93/65/89/563936589.db2.gz GJWDDKSMTYPKDI-UHFFFAOYSA-N 0 0 310.394 3.948 50 0 DHAARN O=C1NC2(CCCCCCC2)C(=O)N1C/C=C\c1ccccc1 ZINC000096402935 563936706 /nfs/dbraw/zinc/93/67/06/563936706.db2.gz UAYKZQPHSMADFK-XFXZXTDPSA-N 0 0 312.413 3.735 50 0 DHAARN O=C(/C=C\c1ccc2c(c1)OCCO2)OC/C=C\c1ccccc1 ZINC000096401093 563936712 /nfs/dbraw/zinc/93/67/12/563936712.db2.gz NVZWZFDDVRYFSC-SKQDYVHHSA-N 0 0 322.360 3.728 50 0 DHAARN CC(C)CNC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000096407998 563936849 /nfs/dbraw/zinc/93/68/49/563936849.db2.gz ILKAUKPSDSHJDX-UHFFFAOYSA-N 0 0 322.474 3.876 50 0 DHAARN CCSc1ccccc1OC(=O)c1ccc([S@](C)=O)cc1 ZINC000096408020 563936912 /nfs/dbraw/zinc/93/69/12/563936912.db2.gz YFMRHXRIENFNED-OAQYLSRUSA-N 0 0 320.435 3.755 50 0 DHAARN C[C@H](Cc1ccsc1)NC(=O)N[C@H](c1nccs1)C1CC1 ZINC000096439357 563937049 /nfs/dbraw/zinc/93/70/49/563937049.db2.gz TUIMFSCRMFFITI-MFKMUULPSA-N 0 0 321.471 3.586 50 0 DHAARN CC(C)c1ocnc1C(=O)OCc1cnc(-c2cccs2)o1 ZINC000096416254 563937057 /nfs/dbraw/zinc/93/70/57/563937057.db2.gz RKQLBDMNUKEGEE-UHFFFAOYSA-N 0 0 318.354 3.872 50 0 DHAARN CCCCSCCC(=O)Nc1ccc(C)cc1C(=O)N(C)C ZINC000096416474 563937067 /nfs/dbraw/zinc/93/70/67/563937067.db2.gz ZPHXQXUPKLPRSV-UHFFFAOYSA-N 0 0 322.474 3.559 50 0 DHAARN CC(C)(Cc1cccc(Cl)c1)c1nc([C@H]2CCOC2)no1 ZINC000096462708 563937223 /nfs/dbraw/zinc/93/72/23/563937223.db2.gz PNYJTFKJJUJIHG-LBPRGKRZSA-N 0 0 306.793 3.747 50 0 DHAARN Cc1ccc(NC(=O)c2nc(C(C)C)ncc2Cl)cc1O ZINC000096475978 563937253 /nfs/dbraw/zinc/93/72/53/563937253.db2.gz PDUYUDHXRNPDFL-UHFFFAOYSA-N 0 0 305.765 3.520 50 0 DHAARN Cc1nc2cc(NC(=O)N3CCc4ccccc4C3)ccc2o1 ZINC000096478187 563937346 /nfs/dbraw/zinc/93/73/46/563937346.db2.gz BUFHCAHAIVUMLQ-UHFFFAOYSA-N 0 0 307.353 3.726 50 0 DHAARN CCSCc1ccnc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000096502467 563937713 /nfs/dbraw/zinc/93/77/13/563937713.db2.gz DKVHAWWBGUOHBM-OKILXGFUSA-N 0 0 305.447 3.599 50 0 DHAARN C[S@](=O)Cc1cc(NCc2ccc(F)cc2)ccc1Cl ZINC000097084925 563937743 /nfs/dbraw/zinc/93/77/43/563937743.db2.gz GSXZXXCKIRSFME-HXUWFJFHSA-N 0 0 311.809 3.970 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2nnc(C(F)F)s2)[C@@H]1c1ccccc1 ZINC000097099280 563937830 /nfs/dbraw/zinc/93/78/30/563937830.db2.gz ALGIQCILEWPGCL-SCZZXKLOSA-N 0 0 324.356 3.701 50 0 DHAARN CO[C@@H](CNC(=O)c1cc(C)cs1)c1ccc(Cl)s1 ZINC000225700339 563938368 /nfs/dbraw/zinc/93/83/68/563938368.db2.gz WTOTXOILXVSIKR-VIFPVBQESA-N 0 0 315.847 3.889 50 0 DHAARN CO[C@H](CNC(=O)c1ccccc1C)c1ccc(Cl)s1 ZINC000225700051 563938438 /nfs/dbraw/zinc/93/84/38/563938438.db2.gz AHQNSNSLSQVGHQ-GFCCVEGCSA-N 0 0 309.818 3.827 50 0 DHAARN O=C(NCc1cccnc1-c1ccncc1)Nc1cccs1 ZINC000225750163 563938687 /nfs/dbraw/zinc/93/86/87/563938687.db2.gz PYWYVSKWZCXCIA-UHFFFAOYSA-N 0 0 310.382 3.527 50 0 DHAARN CCOc1ccccc1OC1CCN(C(=O)CC(C)C)CC1 ZINC000055614544 563938705 /nfs/dbraw/zinc/93/87/05/563938705.db2.gz VWAJZDCSXMZLDH-UHFFFAOYSA-N 0 0 305.418 3.501 50 0 DHAARN Cc1ccn(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)n1 ZINC000028241990 563939138 /nfs/dbraw/zinc/93/91/38/563939138.db2.gz HXTKWCPTYQEYIW-OALUTQOASA-N 0 0 317.392 3.923 50 0 DHAARN CC[C@@H](C)C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000028305939 563939235 /nfs/dbraw/zinc/93/92/35/563939235.db2.gz VLKPSEAQWQCRTR-SNVBAGLBSA-N 0 0 309.772 3.709 50 0 DHAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000002624985 563939597 /nfs/dbraw/zinc/93/95/97/563939597.db2.gz DVBCUZZOAIMUSS-UHFFFAOYSA-N 0 0 322.286 3.916 50 0 DHAARN CC(=O)Nc1ccc(SCC(=O)N(C)C2CCCCC2)cc1 ZINC000002621650 563939614 /nfs/dbraw/zinc/93/96/14/563939614.db2.gz IMMQLRMTMISRBC-UHFFFAOYSA-N 0 0 320.458 3.528 50 0 DHAARN COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000002631517 563939677 /nfs/dbraw/zinc/93/96/77/563939677.db2.gz CXSNUDZOFHSGQT-UHFFFAOYSA-N 0 0 315.800 3.697 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)c1cccc(OC(F)F)c1 ZINC000002629712 563939690 /nfs/dbraw/zinc/93/96/90/563939690.db2.gz WPSPGUWWRUKGOZ-UHFFFAOYSA-N 0 0 311.715 3.871 50 0 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CC(C)Oc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1 ZINC000041155799 563955810 /nfs/dbraw/zinc/95/58/10/563955810.db2.gz MGMWXBWYFTYQPB-CQSZACIVSA-N 0 0 311.381 3.902 50 0 DHAARN CCOc1c(Cl)cc(C(=O)Nc2ccccc2O)cc1OC ZINC000009390144 563955838 /nfs/dbraw/zinc/95/58/38/563955838.db2.gz QRPCAPOQJYYTTG-UHFFFAOYSA-N 0 0 321.760 3.705 50 0 DHAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(C(C)C)[nH]2)c1 ZINC000009451583 563955914 /nfs/dbraw/zinc/95/59/14/563955914.db2.gz NWFNTRHHCLVVGD-GFCCVEGCSA-N 0 0 303.431 3.908 50 0 DHAARN COc1ccccc1-c1nn(CN2CCC(C)CC2)c(=S)o1 ZINC000009434567 563955923 /nfs/dbraw/zinc/95/59/23/563955923.db2.gz CYAXZIASMZKSBO-UHFFFAOYSA-N 0 0 319.430 3.571 50 0 DHAARN COc1ccc(C)cc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000009447795 563956010 /nfs/dbraw/zinc/95/60/10/563956010.db2.gz SDBKTRXMGNBRQD-UHFFFAOYSA-N 0 0 317.360 3.939 50 0 DHAARN COc1cc(C)c(NC(=O)c2cc(C)sc2C)cc1OC ZINC000009451336 563956025 /nfs/dbraw/zinc/95/60/25/563956025.db2.gz MPMXBPJFKHKPOT-UHFFFAOYSA-N 0 0 305.399 3.943 50 0 DHAARN Fc1ccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)cc1 ZINC000009421591 563956040 /nfs/dbraw/zinc/95/60/40/563956040.db2.gz GAOPOHSUDMCUOA-UHFFFAOYSA-N 0 0 308.316 3.537 50 0 DHAARN C[C@@H](NC(=O)CCc1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000009467637 563956189 /nfs/dbraw/zinc/95/61/89/563956189.db2.gz JACGKJSTDFTXIP-GFCCVEGCSA-N 0 0 311.360 3.512 50 0 DHAARN C[C@H](NC(=O)CCc1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000009467634 563956244 /nfs/dbraw/zinc/95/62/44/563956244.db2.gz JACGKJSTDFTXIP-LBPRGKRZSA-N 0 0 311.360 3.512 50 0 DHAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1cccc(OC)c1 ZINC000009528131 563956565 /nfs/dbraw/zinc/95/65/65/563956565.db2.gz VNLFVFKMWKBMDK-KRWDZBQOSA-N 0 0 313.401 3.886 50 0 DHAARN CCn1nc(C)c(CCNC(=O)Nc2ccc(C)cc2C)c1C ZINC000009527541 563956587 /nfs/dbraw/zinc/95/65/87/563956587.db2.gz BIQYMBYZUQPPKS-UHFFFAOYSA-N 0 0 314.433 3.501 50 0 DHAARN Cc1ccc(-c2ocnc2C(=O)NCCc2ccccc2C)cc1 ZINC000009527228 563956651 /nfs/dbraw/zinc/95/66/51/563956651.db2.gz LJIOKQDXGCHPPD-UHFFFAOYSA-N 0 0 320.392 3.931 50 0 DHAARN COCCCNC(=O)c1cc2cc3cc(C)ccc3nc2s1 ZINC000009528670 563956729 /nfs/dbraw/zinc/95/67/29/563956729.db2.gz RKQBARUPYBIMQS-UHFFFAOYSA-N 0 0 314.410 3.524 50 0 DHAARN Cc1ccc2n1CCN(C(=O)NCc1ccccc1)[C@@H]2C(C)C ZINC000009528360 563956810 /nfs/dbraw/zinc/95/68/10/563956810.db2.gz KSILJCIEYKFAGL-GOSISDBHSA-N 0 0 311.429 3.719 50 0 DHAARN Cn1ncc2c1ncnc2NC(c1ccccc1)c1ccccc1 ZINC000009532017 563956820 /nfs/dbraw/zinc/95/68/20/563956820.db2.gz XPGJHASTVUWZOG-UHFFFAOYSA-N 0 0 315.380 3.565 50 0 DHAARN CCCNC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000009575878 563956905 /nfs/dbraw/zinc/95/69/05/563956905.db2.gz POJKTCYWMZJFDQ-INIZCTEOSA-N 0 0 300.427 3.815 50 0 DHAARN Cc1cc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1 ZINC000070640435 563956941 /nfs/dbraw/zinc/95/69/41/563956941.db2.gz VWJZKHJJYCBIIY-UHFFFAOYSA-N 0 0 321.442 3.609 50 0 DHAARN CC(C)NC(=O)c1cc(OCc2ccccc2)nc2ccccc21 ZINC000009587704 563957007 /nfs/dbraw/zinc/95/70/07/563957007.db2.gz FGYOLQCXWVZVEY-UHFFFAOYSA-N 0 0 320.392 3.952 50 0 DHAARN O=C1C/C(=C\c2cccc3[nH]ccc32)C(=O)N1Cc1ccccc1 ZINC000070666339 563957096 /nfs/dbraw/zinc/95/70/96/563957096.db2.gz MHHJJOPOSOWAKS-LFIBNONCSA-N 0 0 316.360 3.510 50 0 biogenic DHAARN Cc1cc(C)cc(-n2ncc3c2ncnc3N2CCC[C@H](C)C2)c1 ZINC000009627412 563957114 /nfs/dbraw/zinc/95/71/14/563957114.db2.gz NZUXOOCZCZKXSR-ZDUSSCGKSA-N 0 0 321.428 3.669 50 0 DHAARN Cc1ccccc1-n1ncc2c1ncnc2N1C[C@H](C)C[C@@H](C)C1 ZINC000009627361 563957155 /nfs/dbraw/zinc/95/71/55/563957155.db2.gz BBLZLLHUPZLXAO-ZIAGYGMSSA-N 0 0 321.428 3.606 50 0 DHAARN CC(C)CC(=O)Nc1nnc(CSc2ccccc2)s1 ZINC000009667434 563957398 /nfs/dbraw/zinc/95/73/98/563957398.db2.gz WKDNOAFQDPYFSQ-UHFFFAOYSA-N 0 0 307.444 3.815 50 0 DHAARN Cc1ccccc1Cn1cccc1CNC(=O)NC1CCCC1 ZINC000009724286 563957470 /nfs/dbraw/zinc/95/74/70/563957470.db2.gz JULKIUZNEOFFDN-UHFFFAOYSA-N 0 0 311.429 3.587 50 0 DHAARN CSc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1 ZINC000009707585 563957576 /nfs/dbraw/zinc/95/75/76/563957576.db2.gz LFHFTJUZUZRKKB-UHFFFAOYSA-N 0 0 317.414 3.977 50 0 DHAARN CCOc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 ZINC000071121460 563957760 /nfs/dbraw/zinc/95/77/60/563957760.db2.gz DYUDVLVLXIDGJU-UHFFFAOYSA-N 0 0 306.365 3.564 50 0 DHAARN C[C@H](NC(=O)c1c[nH]nc1-c1cccs1)c1ccc(F)cc1 ZINC000071115993 563957809 /nfs/dbraw/zinc/95/78/09/563957809.db2.gz JXKMHWJEZFDPBJ-JTQLQIEISA-N 0 0 315.373 3.768 50 0 DHAARN O=C(Nc1nccs1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000009914027 563957938 /nfs/dbraw/zinc/95/79/38/563957938.db2.gz VDOYGKOPLADMTD-UHFFFAOYSA-N 0 0 320.377 3.734 50 0 DHAARN C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000010203831 563958443 /nfs/dbraw/zinc/95/84/43/563958443.db2.gz JCPVSVLLMHREGQ-JTQLQIEISA-N 0 0 316.382 3.628 50 0 DHAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1CCOC1 ZINC000071832979 563958936 /nfs/dbraw/zinc/95/89/36/563958936.db2.gz VDTBHPHNKOFCQK-APWZRJJASA-N 0 0 321.376 3.675 50 0 DHAARN CCCn1c(=O)[nH]nc1SCc1cccc(C(F)(F)F)c1 ZINC000010438577 563959097 /nfs/dbraw/zinc/95/90/97/563959097.db2.gz FOBCOHGIETVXRY-UHFFFAOYSA-N 0 0 317.336 3.705 50 0 DHAARN CCOCCOc1c(Cl)cccc1NC(=O)N(CC)CC ZINC000071842100 563959316 /nfs/dbraw/zinc/95/93/16/563959316.db2.gz MQRFAGNJDVYZTJ-UHFFFAOYSA-N 0 0 314.813 3.629 50 0 DHAARN CCOCc1ccccc1NC(=O)NCc1cc(F)ccc1F ZINC000071857013 563959418 /nfs/dbraw/zinc/95/94/18/563959418.db2.gz UJWQGFDWSIVGBG-UHFFFAOYSA-N 0 0 320.339 3.823 50 0 DHAARN O=C(NCCCn1ccc2ccccc21)c1ccc[nH]c1=S ZINC000010470002 563959432 /nfs/dbraw/zinc/95/94/32/563959432.db2.gz UXBLUFVSKXIVEB-UHFFFAOYSA-N 0 0 311.410 3.519 50 0 DHAARN COc1cc2nc(-c3ccc(O)cc3O)cc(C)c2cc1OC ZINC000077410440 563960721 /nfs/dbraw/zinc/96/07/21/563960721.db2.gz UIRCAMOLXFTZRB-UHFFFAOYSA-N 0 0 311.337 3.639 50 0 DHAARN CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000078402917 563960972 /nfs/dbraw/zinc/96/09/72/563960972.db2.gz LVEZTUPKNLZYEL-UHFFFAOYSA-N 0 0 323.396 3.625 50 0 DHAARN CN(C)c1cccc(CNCc2csc(-c3ccco3)n2)c1 ZINC000078552604 563961200 /nfs/dbraw/zinc/96/12/00/563961200.db2.gz YFHDURODKKFFOH-UHFFFAOYSA-N 0 0 313.426 3.759 50 0 DHAARN CC[C@H](C)NC(=O)c1cc2c3c(ccc2Cl)O[C@@H](CC)Cn13 ZINC000035477442 563961866 /nfs/dbraw/zinc/96/18/66/563961866.db2.gz BVKYVXXYWGEFHJ-QWRGUYRKSA-N 0 0 320.820 3.994 50 0 DHAARN Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)no1 ZINC000013625278 568412562 /nfs/dbraw/zinc/41/25/62/568412562.db2.gz VWACFDOSCMMPRO-UHFFFAOYSA-N 0 0 323.352 3.769 50 0 DHAARN O=C(NCCOc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000010994865 568412695 /nfs/dbraw/zinc/41/26/95/568412695.db2.gz ACFAJQCJXVHROP-UHFFFAOYSA-N 0 0 309.340 3.788 50 0 DHAARN O=C(Cc1cccc(Cl)c1)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000066323457 568413281 /nfs/dbraw/zinc/41/32/81/568413281.db2.gz DFFGUPIVHPCCGK-OAHLLOKOSA-N 0 0 315.756 3.603 50 0 DHAARN Cc1noc(C)c1CNCc1c(F)cccc1OC(F)(F)F ZINC000283822968 568413472 /nfs/dbraw/zinc/41/34/72/568413472.db2.gz FRDDYJQUWUUMOD-UHFFFAOYSA-N 0 0 318.270 3.619 50 0 DHAARN O=C([C@H]1CCCc2cccnc21)N(c1ccccn1)C1CCCC1 ZINC000252481537 568413677 /nfs/dbraw/zinc/41/36/77/568413677.db2.gz CNQGFRQJWHHSQW-KRWDZBQOSA-N 0 0 321.424 3.872 50 0 DHAARN CCCCC(=O)Nc1ccc(I)cc1C ZINC000002969053 568414257 /nfs/dbraw/zinc/41/42/57/568414257.db2.gz GYYZJIRHWRDMRO-UHFFFAOYSA-N 0 0 317.170 3.728 50 0 DHAARN Cc1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)n[nH]1 ZINC000047555153 568415212 /nfs/dbraw/zinc/41/52/12/568415212.db2.gz ZHRMICZUYJXWIK-UHFFFAOYSA-N 0 0 301.293 3.582 50 0 DHAARN CC(=O)[C@@H]1C[C@H](C(=O)O[C@H](C(C)(C)C)C(F)(F)F)C1(C)C ZINC000159171171 568415915 /nfs/dbraw/zinc/41/59/15/568415915.db2.gz GNBUINCYKRBNLZ-HOSYDEDBSA-N 0 0 308.340 3.758 50 0 DHAARN FC(F)(F)C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000095973106 568416369 /nfs/dbraw/zinc/41/63/69/568416369.db2.gz HQLMJTNPTATSIQ-UHFFFAOYSA-N 0 0 303.328 3.502 50 0 DHAARN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CC1(Cl)Cl ZINC000221787820 568416485 /nfs/dbraw/zinc/41/64/85/568416485.db2.gz LQUSKXJRXMOBKS-RFHZTLPTSA-N 0 0 312.240 3.973 50 0 DHAARN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)Nc1ccccn1 ZINC000032902569 568416524 /nfs/dbraw/zinc/41/65/24/568416524.db2.gz NTAXAOSODPWIDT-RMKNXTFCSA-N 0 0 308.259 3.632 50 0 DHAARN C[C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCc2ccccn2)C1 ZINC000221761354 568416536 /nfs/dbraw/zinc/41/65/36/568416536.db2.gz DKTFZDJUOGKNNR-SOLBZPMBSA-N 0 0 300.446 3.832 50 0 DHAARN Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1Cl ZINC000012584610 568417350 /nfs/dbraw/zinc/41/73/50/568417350.db2.gz IMHXLLUTZQUGSN-UHFFFAOYSA-N 0 0 305.790 3.539 50 0 DHAARN CC(C)[C@H](C(=O)Nc1ccc(C(F)(F)F)cn1)n1cccc1 ZINC000263587267 568417555 /nfs/dbraw/zinc/41/75/55/568417555.db2.gz DZJMYQUZGZEJJA-CYBMUJFWSA-N 0 0 311.307 3.738 50 0 DHAARN CC[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000012746758 568417667 /nfs/dbraw/zinc/41/76/67/568417667.db2.gz GWRVTSZBQPUOIQ-GFCCVEGCSA-N 0 0 302.422 3.664 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2Cc2ccccc2)c1C ZINC000012746426 568417672 /nfs/dbraw/zinc/41/76/72/568417672.db2.gz JVSOGTDNXPCTEM-KRWDZBQOSA-N 0 0 324.424 3.681 50 0 DHAARN CCn1nc(C)c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1C ZINC000089300209 568418777 /nfs/dbraw/zinc/41/87/77/568418777.db2.gz JNINWQBYZQIMDN-YLJYHZDGSA-N 0 0 323.440 3.753 50 0 DHAARN Cc1ccc(NC(=O)Nc2cccn3nc(C4CC4)nc23)cc1 ZINC000065283897 568419445 /nfs/dbraw/zinc/41/94/45/568419445.db2.gz KEGJCDIYHDUNCU-UHFFFAOYSA-N 0 0 307.357 3.559 50 0 DHAARN C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccccc1C(F)(F)F ZINC000071824497 568419846 /nfs/dbraw/zinc/41/98/46/568419846.db2.gz ZGKAJJFQPXKEPR-XHDPSFHLSA-N 0 0 322.330 3.583 50 0 DHAARN C[C@H](SCc1ccccc1C(F)(F)F)C(=O)NC1CC1 ZINC000071818606 568419939 /nfs/dbraw/zinc/41/99/39/568419939.db2.gz PWJSMDJRZQJJSE-VIFPVBQESA-N 0 0 303.349 3.606 50 0 DHAARN Cc1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cc1 ZINC000033321046 1013720339 /nfs/dbraw/zinc/72/03/39/1013720339.db2.gz AQSGCTCPANQUEO-UHFFFAOYSA-N 0 0 317.698 3.653 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc2nccnc2c1 ZINC000015684703 1013758742 /nfs/dbraw/zinc/75/87/42/1013758742.db2.gz WNQDFHAOXVJMLK-LBPRGKRZSA-N 0 0 320.421 3.778 50 0 DHAARN CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 ZINC000002394781 1021106246 /nfs/dbraw/zinc/10/62/46/1021106246.db2.gz GJWKEFORDURVQH-ZJUUUORDSA-N 0 0 315.439 3.794 50 0 DHAARN COc1ccc(/C=C\C(=O)N2CCCc3ccccc32)cc1OC ZINC000006373097 1032078133 /nfs/dbraw/zinc/07/81/33/1032078133.db2.gz IEZALXAOSYRCAN-BENRWUELSA-N 0 0 323.392 3.696 50 0 DHAARN COc1cccc(/C(C)=C/C(=O)N(C(C)C)C2CCOCC2)c1 ZINC000079048826 1015933806 /nfs/dbraw/zinc/93/38/06/1015933806.db2.gz PUBGSYMKJYRZIS-NTCAYCPXSA-N 0 0 317.429 3.515 50 0 DHAARN C/C(=C/C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CC1 ZINC000095377690 1032135837 /nfs/dbraw/zinc/13/58/37/1032135837.db2.gz MYGZLCWKPIYASV-QLKUMGTLSA-N 0 0 318.848 3.639 50 0 DHAARN CC[C@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1nccs1 ZINC000194272931 1016322817 /nfs/dbraw/zinc/32/28/17/1016322817.db2.gz ZMZTZIHZCCFMIR-LBPRGKRZSA-N 0 0 300.387 3.897 50 0 DHAARN Cc1noc(C)c1CN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000185217350 1016764025 /nfs/dbraw/zinc/76/40/25/1016764025.db2.gz ZGJRGDYVHIAXOT-LLVKDONJSA-N 0 0 304.394 3.573 50 0 DHAARN CCc1cc2c(ncn([C@@H](C)Cc3cccc(C)n3)c2=O)s1 ZINC000043040537 1032203539 /nfs/dbraw/zinc/20/35/39/1032203539.db2.gz FFVZVOPMHHBVAF-LBPRGKRZSA-N 0 0 313.426 3.528 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000006552805 1032408633 /nfs/dbraw/zinc/40/86/33/1032408633.db2.gz YLIMSRKUBBXJCN-GOSISDBHSA-N 0 0 321.376 3.576 50 0 DHAARN CC(C)Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000262508494 1017300985 /nfs/dbraw/zinc/30/09/85/1017300985.db2.gz AQHKGILBOUKIJW-LJQANCHMSA-N 0 0 311.425 3.671 50 0 DHAARN O=C(Nc1cnns1)N1CCC[C@H]1CCC1CCCCC1 ZINC000192352399 1032506201 /nfs/dbraw/zinc/50/62/01/1032506201.db2.gz HVAKEFKBEDYKNX-ZDUSSCGKSA-N 0 0 308.451 3.895 50 0 DHAARN O=[N+]([O-])c1ccc(NN=Cc2ccc(Br)cc2)cc1 ZINC000254835832 1012386131 /nfs/dbraw/zinc/38/61/31/1012386131.db2.gz RENPHZLBPTWBHU-UHFFFAOYSA-N 0 0 320.146 3.803 50 0 DHAARN COc1ccc([C@H](C)CC(=O)N(Cc2ccncc2)C2CC2)cc1 ZINC000175760038 1012501988 /nfs/dbraw/zinc/50/19/88/1012501988.db2.gz ANUZPOPIZFHYHQ-OAHLLOKOSA-N 0 0 324.424 3.775 50 0 DHAARN CC(C)(C)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2F)no1 ZINC000952880610 1032667590 /nfs/dbraw/zinc/66/75/90/1032667590.db2.gz CHILYCUGLMXUMY-ZDUSSCGKSA-N 0 0 317.364 3.585 50 0 DHAARN COc1ccc2c(c1)CC/C(=C/c1cc(OC)cc(OC)c1)C2=O ZINC000000102808 1012943952 /nfs/dbraw/zinc/94/39/52/1012943952.db2.gz IQILGGUWPBNVCC-NVNXTCNLSA-N 0 0 324.376 3.925 50 0 DHAARN CCC[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)n1cccc1 ZINC000952963359 1032670729 /nfs/dbraw/zinc/67/07/29/1032670729.db2.gz PIXTVCIPKJJNSQ-HNNXBMFYSA-N 0 0 314.385 3.629 50 0 DHAARN Cc1cc2ncnc(N3CCC4(CCOCC4)CC3)c2cc1C ZINC000952961939 1032671662 /nfs/dbraw/zinc/67/16/62/1032671662.db2.gz VAZWRWVRQUQYDG-UHFFFAOYSA-N 0 0 311.429 3.644 50 0 DHAARN CCOCCC(=O)Nc1cc(Cl)ccc1N1CCC[C@H](C)C1 ZINC000952962594 1032671773 /nfs/dbraw/zinc/67/17/73/1032671773.db2.gz GVCQDAKTENPRSH-ZDUSSCGKSA-N 0 0 324.852 3.941 50 0 DHAARN CN(C(=O)c1cc(F)c(F)cc1F)[C@H](c1ccccn1)C1CC1 ZINC000952981019 1032674305 /nfs/dbraw/zinc/67/43/05/1032674305.db2.gz GJQNQFQQGKODTE-INIZCTEOSA-N 0 0 320.314 3.722 50 0 DHAARN Cc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cnc1C ZINC000952977722 1032678945 /nfs/dbraw/zinc/67/89/45/1032678945.db2.gz JKFCKVVDNQBZTR-UHFFFAOYSA-N 0 0 312.457 3.921 50 0 DHAARN O=C(CSc1ccncc1)N(C/C=C/c1ccccc1)C1CC1 ZINC000952977782 1032680067 /nfs/dbraw/zinc/68/00/67/1032680067.db2.gz YOKXZNDXIJLYLW-QPJJXVBHSA-N 0 0 324.449 3.878 50 0 DHAARN O[C@H](c1cccs1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000952987490 1032681875 /nfs/dbraw/zinc/68/18/75/1032681875.db2.gz LDTDNKLEJQBACI-KRWDZBQOSA-N 0 0 323.408 3.972 50 0 DHAARN O[C@@H](c1cccs1)C1CCN(Cc2ccc(Cl)o2)CC1 ZINC000952987689 1032681970 /nfs/dbraw/zinc/68/19/70/1032681970.db2.gz PDCMTLUILWLLIR-OAHLLOKOSA-N 0 0 311.834 3.940 50 0 DHAARN O[C@H](c1cccs1)C1CCN(Cc2ccc(Cl)o2)CC1 ZINC000952987668 1032682655 /nfs/dbraw/zinc/68/26/55/1032682655.db2.gz PDCMTLUILWLLIR-HNNXBMFYSA-N 0 0 311.834 3.940 50 0 DHAARN CCC[C@H](NC(=O)c1cn(CCC)nc1C)c1cccs1 ZINC000952989613 1032686101 /nfs/dbraw/zinc/68/61/01/1032686101.db2.gz 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/nfs/dbraw/zinc/36/26/99/185362699.db2.gz PDYXQPCYHPYPJO-UHFFFAOYSA-N 0 0 324.453 3.785 50 0 DHAARN Cn1cc(CNc2ccc(COCc3ccccc3)cc2)cn1 ZINC000095429224 185362732 /nfs/dbraw/zinc/36/27/32/185362732.db2.gz RJABAJBPOMXYFC-UHFFFAOYSA-N 0 0 307.397 3.749 50 0 DHAARN Cc1cc(O)ccc1NC(=O)c1c(F)cccc1Br ZINC000095431725 185363378 /nfs/dbraw/zinc/36/33/78/185363378.db2.gz AWIZGAVURCOHFC-UHFFFAOYSA-N 0 0 324.149 3.855 50 0 DHAARN Cc1ncsc1CNCc1ccc(C)cc1Br ZINC000095435693 185364897 /nfs/dbraw/zinc/36/48/97/185364897.db2.gz MTEQMVUEFLNQFF-UHFFFAOYSA-N 0 0 311.248 3.812 50 0 DHAARN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(F)cc2Cl)c1 ZINC000095420960 185360559 /nfs/dbraw/zinc/36/05/59/185360559.db2.gz BNFWUTGUCCVWOL-NSHDSACASA-N 0 0 320.795 3.690 50 0 DHAARN Cc1cc(C)cc([C@H](N[C@H](C)c2cnn(C)c2)c2cccnc2)c1 ZINC000095422186 185360763 /nfs/dbraw/zinc/36/07/63/185360763.db2.gz TZBXRSCTSFHMFZ-OXQOHEQNSA-N 0 0 320.440 3.872 50 0 DHAARN Cc1cccc(CN(c2ccccc2F)S(=O)(=O)C(C)C)c1 ZINC000095444396 185367057 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185397089 /nfs/dbraw/zinc/39/70/89/185397089.db2.gz XFXZBXDEXPNHSI-KRWDZBQOSA-N 0 0 301.361 3.816 50 0 DHAARN COCCC1(C(=O)N2C[C@H](c3ccsc3)C[C@H]2C)CCC1 ZINC000097015019 185397112 /nfs/dbraw/zinc/39/71/12/185397112.db2.gz XMFKNXIZECNSLS-UKRRQHHQSA-N 0 0 307.459 3.659 50 0 DHAARN CC(C)(C)[C@H](NC(=O)CSCc1ccon1)c1cccs1 ZINC000097016131 185397599 /nfs/dbraw/zinc/39/75/99/185397599.db2.gz YFNDXKNXIGLWJZ-CQSZACIVSA-N 0 0 324.471 3.873 50 0 DHAARN CS(=O)(=O)Cc1cc(NCCc2ccccc2)ccc1Cl ZINC000097032443 185399279 /nfs/dbraw/zinc/39/92/79/185399279.db2.gz OCRAEKUSINQNCD-UHFFFAOYSA-N 0 0 323.845 3.539 50 0 DHAARN CC(C)(C)OC(=O)N1CCc2cc(N[C@@H]3CCCOC3)ccc21 ZINC000097038042 185401191 /nfs/dbraw/zinc/40/11/91/185401191.db2.gz SVZKTYJLRJBYCD-OAHLLOKOSA-N 0 0 318.417 3.575 50 0 DHAARN CCc1cc(C(=O)N(CC2CC2)[C@H](C)c2ccccc2)cc(=O)[nH]1 ZINC000097047263 185402900 /nfs/dbraw/zinc/40/29/00/185402900.db2.gz UDXZVCDPTRZSEY-CQSZACIVSA-N 0 0 324.424 3.551 50 0 DHAARN COCC1CCN(C(=O)c2ccc(-c3ccc(C)o3)s2)CC1 ZINC000097081270 185406911 /nfs/dbraw/zinc/40/69/11/185406911.db2.gz HYCRGDHTYAYJEC-UHFFFAOYSA-N 0 0 319.426 3.815 50 0 DHAARN O[C@@H](COc1ccccc1Br)c1ccccc1F ZINC000097139538 185414251 /nfs/dbraw/zinc/41/42/51/185414251.db2.gz GIPSVWRLIPZORM-ZDUSSCGKSA-N 0 0 311.150 3.701 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC000097162359 185418102 /nfs/dbraw/zinc/41/81/02/185418102.db2.gz GPGVGXCAAGSBKM-LBPRGKRZSA-N 0 0 324.428 3.919 50 0 DHAARN Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000102859671 185423752 /nfs/dbraw/zinc/42/37/52/185423752.db2.gz BBYQKTMXYKRMRJ-MRXNPFEDSA-N 0 0 308.385 3.894 50 0 DHAARN Cc1ccc(NC(=O)Cc2ccccc2)cc1NC(=O)C1CC1 ZINC000030831010 190657000 /nfs/dbraw/zinc/65/70/00/190657000.db2.gz ZOBUYZGPCUIBCO-UHFFFAOYSA-N 0 0 308.381 3.525 50 0 DHAARN Cc1c2ccccc2oc1C(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000170077466 197767365 /nfs/dbraw/zinc/76/73/65/197767365.db2.gz ZDBWYAQOFFOVEL-CQSZACIVSA-N 0 0 313.397 3.772 50 0 DHAARN O=C(NC[C@@H]1SCCc2ccccc21)[C@H]1C[C@H]1c1ccco1 ZINC000107150865 185470162 /nfs/dbraw/zinc/47/01/62/185470162.db2.gz VQMULJVTZUGLAK-VYDXJSESSA-N 0 0 313.422 3.530 50 0 DHAARN CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 ZINC000107358265 185477899 /nfs/dbraw/zinc/47/78/99/185477899.db2.gz QGIKPKCIJAOYQR-VNQPRFMTSA-N 0 0 321.490 3.848 50 0 DHAARN Cn1cnnc1CSc1ccc(Cl)c(C(F)(F)F)c1 ZINC000170609847 197789732 /nfs/dbraw/zinc/78/97/32/197789732.db2.gz CYFLLTLGUFKUJG-UHFFFAOYSA-N 0 0 307.728 3.780 50 0 DHAARN Cc1ccc(-n2nnnc2N[C@@H](C)c2cccc(C)c2C)cc1 ZINC000170627348 197795035 /nfs/dbraw/zinc/79/50/35/197795035.db2.gz YTEPWDXVUSDKBJ-HNNXBMFYSA-N 0 0 307.401 3.761 50 0 DHAARN Cc1ccc(-n2nnnc2N[C@H](C)c2cccc(C)c2C)cc1 ZINC000170627349 197795272 /nfs/dbraw/zinc/79/52/72/197795272.db2.gz YTEPWDXVUSDKBJ-OAHLLOKOSA-N 0 0 307.401 3.761 50 0 DHAARN Cc1noc([C@H](C)NC(=O)Nc2ccc3c4c(cccc42)CC3)n1 ZINC000069738172 190808676 /nfs/dbraw/zinc/80/86/76/190808676.db2.gz TVWYLVPVOMSTBF-JTQLQIEISA-N 0 0 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/nfs/dbraw/zinc/06/39/94/191063994.db2.gz QQCCFVVMOZQDPI-UHFFFAOYSA-N 0 0 322.364 3.759 50 0 DHAARN CNc1cc(-c2nc3c(C)cccc3cc2CO)c2cc[nH]c2n1 ZINC000072168826 191068090 /nfs/dbraw/zinc/06/80/90/191068090.db2.gz FXCXKFSXLVDLAB-UHFFFAOYSA-N 0 0 318.380 3.621 50 0 DHAARN C[C@@H]1NC(=O)O[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000072194096 191073710 /nfs/dbraw/zinc/07/37/10/191073710.db2.gz OHIDCVTXTYVGRO-CDUCUWFYSA-N 0 0 313.197 3.894 50 0 DHAARN Cc1ccccc1NC(=O)NCCCn1ncc2ccccc21 ZINC000072239472 191082751 /nfs/dbraw/zinc/08/27/51/191082751.db2.gz YOBFOSULKJBYIO-UHFFFAOYSA-N 0 0 308.385 3.557 50 0 DHAARN O=C(NCc1cccnc1)c1cccc(-c2ccc(F)cc2)c1 ZINC000072243324 191085820 /nfs/dbraw/zinc/08/58/20/191085820.db2.gz IRTFPMZXFBEBGX-UHFFFAOYSA-N 0 0 306.340 3.818 50 0 DHAARN CCCOc1ccc([C@H](C)N[C@H](C)c2nnc(C)o2)cc1OC ZINC000072281407 191101559 /nfs/dbraw/zinc/10/15/59/191101559.db2.gz VBJCLMFNRHYJPY-NWDGAFQWSA-N 0 0 319.405 3.587 50 0 DHAARN COC(=O)c1sc(NC(=O)c2c(C)noc2C(C)C)cc1C ZINC000072280596 191101795 /nfs/dbraw/zinc/10/17/95/191101795.db2.gz IMBSWPLABHCQKE-UHFFFAOYSA-N 0 0 322.386 3.515 50 0 DHAARN CCc1csc([C@H]2CCCN(C(=O)c3occc3C)C2)n1 ZINC000072282155 191102910 /nfs/dbraw/zinc/10/29/10/191102910.db2.gz RCDOLHZIQAPNFJ-LBPRGKRZSA-N 0 0 304.415 3.627 50 0 DHAARN CC1=CCC[C@H](C)[C@H]1CNc1cccc(CS(C)(=O)=O)c1 ZINC000152638206 186092916 /nfs/dbraw/zinc/09/29/16/186092916.db2.gz VMSBOSITMHRFCF-YOEHRIQHSA-N 0 0 307.459 3.636 50 0 DHAARN O=C(CC[C@@H]1CCCCO1)N1CCCC[C@H]1c1nccs1 ZINC000072285835 191104752 /nfs/dbraw/zinc/10/47/52/191104752.db2.gz QRXDUODKDWRXSJ-KBPBESRZSA-N 0 0 308.447 3.546 50 0 DHAARN Cc1ccc2oc(N3CCC[C@@H]3c3noc(C(C)C)n3)nc2c1 ZINC000072285222 191105033 /nfs/dbraw/zinc/10/50/33/191105033.db2.gz IPRPUGHFTQQFMO-CYBMUJFWSA-N 0 0 312.373 3.984 50 0 DHAARN O=C(NCC(F)(F)F)Nc1cccc(Oc2ccccn2)c1 ZINC000173327646 186177170 /nfs/dbraw/zinc/17/71/70/186177170.db2.gz SGXFUPHBGGBCLA-UHFFFAOYSA-N 0 0 311.263 3.558 50 0 DHAARN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CCO2 ZINC000072296719 191111555 /nfs/dbraw/zinc/11/15/55/191111555.db2.gz XUVXQRUXUFLNBC-SFHVURJKSA-N 0 0 311.381 3.568 50 0 DHAARN Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)sc1C ZINC000072297452 191113108 /nfs/dbraw/zinc/11/31/08/191113108.db2.gz RPWPYEDOTDSPOA-HUUCEWRRSA-N 0 0 304.459 3.822 50 0 DHAARN CC[C@@H](OC1CCCC1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072298583 191113383 /nfs/dbraw/zinc/11/33/83/191113383.db2.gz HNKPXHLHLWJYSF-HUUCEWRRSA-N 0 0 322.474 3.935 50 0 DHAARN COC1(c2noc(-c3cccc([C@@H]4CCCOC4)c3)n2)CCC1 ZINC000225600737 186282314 /nfs/dbraw/zinc/28/23/14/186282314.db2.gz WVWTVJUXEPVVLR-OAHLLOKOSA-N 0 0 314.385 3.656 50 0 DHAARN COC1(c2noc(-c3ccc([C@H]4CCCOC4)cc3)n2)CCC1 ZINC000225600486 186282342 /nfs/dbraw/zinc/28/23/42/186282342.db2.gz NRXAACCTISGCTQ-HNNXBMFYSA-N 0 0 314.385 3.656 50 0 DHAARN COC1(c2noc(-c3cccc(Oc4ccncc4)c3)n2)CCC1 ZINC000225600606 186282435 /nfs/dbraw/zinc/28/24/35/186282435.db2.gz JIWGDMDGIYTXSR-UHFFFAOYSA-N 0 0 323.352 3.950 50 0 DHAARN Cc1ccccc1C(=O)NCC[C@H](O)c1cccc(Cl)c1 ZINC000225607463 186282559 /nfs/dbraw/zinc/28/25/59/186282559.db2.gz SQUHHLZUJZGANR-INIZCTEOSA-N 0 0 303.789 3.502 50 0 DHAARN Cc1csc(C(=O)NCC[C@@H](O)c2cccc(Cl)c2)c1 ZINC000225607643 186282698 /nfs/dbraw/zinc/28/26/98/186282698.db2.gz IXACLFFHZZZFMC-CYBMUJFWSA-N 0 0 309.818 3.563 50 0 DHAARN Fc1ccc(/C=C/CNc2nnc(-c3ccncc3)o2)c(F)c1 ZINC000225609895 186283280 /nfs/dbraw/zinc/28/32/80/186283280.db2.gz IHYKDMOYUWDTII-OWOJBTEDSA-N 0 0 314.295 3.535 50 0 DHAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000225610362 186283415 /nfs/dbraw/zinc/28/34/15/186283415.db2.gz OQHZEJARZFIVDS-ABAIWWIYSA-N 0 0 324.852 3.699 50 0 DHAARN CC(C)c1cnc(S[C@@H](C)c2nnnn2C2CC2)n1C1CC1 ZINC000225624141 186284460 /nfs/dbraw/zinc/28/44/60/186284460.db2.gz GCMMMOKWMWZPPQ-JTQLQIEISA-N 0 0 318.450 3.516 50 0 DHAARN CCC[C@H](NC(=O)[C@H](OC)c1ccc(O)cc1)c1ccccc1 ZINC000225621517 186284501 /nfs/dbraw/zinc/28/45/01/186284501.db2.gz USEXPNPWKMKDSN-ZWKOTPCHSA-N 0 0 313.397 3.737 50 0 DHAARN C[C@](O)(CNC(=O)c1cc2ccccc2s1)c1cccs1 ZINC000225621668 186284593 /nfs/dbraw/zinc/28/45/93/186284593.db2.gz FYDQYAUDKKDWJQ-INIZCTEOSA-N 0 0 317.435 3.600 50 0 DHAARN O=C(NCc1ccc(Oc2nccs2)cc1)[C@@H]1CC=CCC1 ZINC000225647309 186286902 /nfs/dbraw/zinc/28/69/02/186286902.db2.gz AOYXMSFRTLCLQZ-CQSZACIVSA-N 0 0 314.410 3.908 50 0 DHAARN CO[C@H](CNC(=O)c1cc2ccccc2s1)c1ccco1 ZINC000225653697 186287458 /nfs/dbraw/zinc/28/74/58/186287458.db2.gz GYLNVCNTXUWYPA-CYBMUJFWSA-N 0 0 301.367 3.612 50 0 DHAARN C[C@H](O)c1ccc(C2(CNC(=O)c3ccoc3)CCCC2)s1 ZINC000225682506 186288779 /nfs/dbraw/zinc/28/87/79/186288779.db2.gz MPJSXKULOZOTSP-LBPRGKRZSA-N 0 0 319.426 3.636 50 0 DHAARN CO[C@]1(C)C[C@H](N(C)C(=O)c2cc3ccccc3o2)C1(C)C ZINC000072304562 191116225 /nfs/dbraw/zinc/11/62/25/191116225.db2.gz MEAWEWPLQRSVCF-MAUKXSAKSA-N 0 0 301.386 3.708 50 0 DHAARN CCc1cccc(C)c1NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000072309798 191118312 /nfs/dbraw/zinc/11/83/12/191118312.db2.gz JZEGXPXAAPPNQS-UHFFFAOYSA-N 0 0 312.417 3.692 50 0 DHAARN Cc1cc(Br)ncc1NC(=O)/C=C/c1ccsc1 ZINC000072306577 191118031 /nfs/dbraw/zinc/11/80/31/191118031.db2.gz DCMLXNTXFATKAD-NSCUHMNNSA-N 0 0 323.215 3.866 50 0 DHAARN Cc1cccc(-c2n[nH]cc2C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000072329146 191124205 /nfs/dbraw/zinc/12/42/05/191124205.db2.gz DZJWTMLODHEEHH-SFHVURJKSA-N 0 0 317.392 3.802 50 0 DHAARN O=C(c1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 ZINC000000030205 180671183 /nfs/dbraw/zinc/67/11/83/180671183.db2.gz NGALFKPFMUEMSJ-UHFFFAOYSA-N 0 0 323.392 3.510 50 0 DHAARN O=C(NCc1ccccn1)C(c1ccccc1)c1ccccc1 ZINC000000036057 180673857 /nfs/dbraw/zinc/67/38/57/180673857.db2.gz ZANBIDZTNLETBY-UHFFFAOYSA-N 0 0 302.377 3.530 50 0 DHAARN CCc1cc(N[C@H](c2cc(C)ccn2)C2CC2)n2nccc2n1 ZINC000072410344 191154611 /nfs/dbraw/zinc/15/46/11/191154611.db2.gz FBBVOAVQVWKLBR-SFHVURJKSA-N 0 0 307.401 3.558 50 0 DHAARN Cc1noc2nc(C)cc(C(=O)Nc3cccc4c3ccn4C)c12 ZINC000072400582 191150877 /nfs/dbraw/zinc/15/08/77/191150877.db2.gz MGTUHOKUVARWNS-UHFFFAOYSA-N 0 0 320.352 3.584 50 0 DHAARN Cc1ccccc1NC(=O)COc1ccccc1Br ZINC000000050551 180678171 /nfs/dbraw/zinc/67/81/71/180678171.db2.gz AEYZUTBDXTXZSO-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN Cc1nn(-c2ccc(NC(=O)CC(C)C)cn2)c(C)c1Cl ZINC000072404348 191152336 /nfs/dbraw/zinc/15/23/36/191152336.db2.gz IVAXSUIPFYZWNZ-UHFFFAOYSA-N 0 0 306.797 3.522 50 0 DHAARN CC(C)Oc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 ZINC000072419883 191156609 /nfs/dbraw/zinc/15/66/09/191156609.db2.gz NQQRTGRCLKLGRS-SFHVURJKSA-N 0 0 310.397 3.846 50 0 DHAARN O=C(Nc1ccncc1NC(=O)c1ccccc1)c1ccccc1 ZINC000000086584 180688059 /nfs/dbraw/zinc/68/80/59/180688059.db2.gz GCYJPEJPGQWDFH-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN Cc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c(C)c1 ZINC000000105032 180694764 /nfs/dbraw/zinc/69/47/64/180694764.db2.gz MUGTVWGNZKMDSN-UHFFFAOYSA-N 0 0 314.410 3.507 50 0 DHAARN O=C(NC[C@H]1CCCO1)c1c(Cl)ccc(Cl)c1Cl ZINC000000118365 180698863 /nfs/dbraw/zinc/69/88/63/180698863.db2.gz IUAUFJUKGHMPBV-SSDOTTSWSA-N 0 0 308.592 3.556 50 0 DHAARN C(=C/c1ccccn1)\c1cccc(-n2ccnc2[C@@H]2CCOC2)c1 ZINC000072435724 191166347 /nfs/dbraw/zinc/16/63/47/191166347.db2.gz YYGCUBKDBBXHHP-IWAYRVGRSA-N 0 0 317.392 3.942 50 0 DHAARN CCc1cc(N[C@H](C)c2ccc(C)nc2)n2nc(C)c(C)c2n1 ZINC000072435388 191166401 /nfs/dbraw/zinc/16/64/01/191166401.db2.gz DMLHMEJDIPGTTR-CQSZACIVSA-N 0 0 309.417 3.785 50 0 DHAARN CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 ZINC000000142239 180706428 /nfs/dbraw/zinc/70/64/28/180706428.db2.gz LKYPNTKQTCZQAK-UHFFFAOYSA-N 0 0 312.413 3.859 50 0 DHAARN O=C(CSc1nnc2sc3ccccc3n12)c1ccco1 ZINC000000142900 180706710 /nfs/dbraw/zinc/70/67/10/180706710.db2.gz JURPOFUGWOBVIO-UHFFFAOYSA-N 0 0 315.379 3.512 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O ZINC000000130217 180702608 /nfs/dbraw/zinc/70/26/08/180702608.db2.gz LOWHCJARMXUOGE-UHFFFAOYSA-N 0 0 307.349 3.916 50 0 DHAARN Cc1ccc(SCCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000170500 180713756 /nfs/dbraw/zinc/71/37/56/180713756.db2.gz KNFUNCBFJCBCAM-UHFFFAOYSA-N 0 0 310.415 3.700 50 0 DHAARN S=C1N=C(c2ccccc2)C[C@@H](c2ccc(Cl)cc2)N1 ZINC000000195927 180722458 /nfs/dbraw/zinc/72/24/58/180722458.db2.gz ITNSDJNIGHXYRS-HNNXBMFYSA-N 0 0 300.814 3.900 50 0 DHAARN CC[C@H](C)NC(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000000201331 180723373 /nfs/dbraw/zinc/72/33/73/180723373.db2.gz CAUYBKLBCYAVOZ-VIFPVBQESA-N 0 0 301.367 3.536 50 0 DHAARN Cc1ccc([C@@H]2C[C@H](c3cccc(F)c3)n3ncnc3N2)cc1 ZINC000000222179 180731074 /nfs/dbraw/zinc/73/10/74/180731074.db2.gz BTHQEIRJINLYCC-DLBZAZTESA-N 0 0 308.360 3.872 50 0 DHAARN COc1cccc([C@@H]2C[C@@H](c3cccc(F)c3)n3ncnc3N2)c1 ZINC000000222436 180731372 /nfs/dbraw/zinc/73/13/72/180731372.db2.gz QMCGZNBPJBEYMU-IRXDYDNUSA-N 0 0 324.359 3.572 50 0 DHAARN COC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000000260535 180740375 /nfs/dbraw/zinc/74/03/75/180740375.db2.gz UEHAGPYQABZEII-UHFFFAOYSA-N 0 0 315.394 3.891 50 0 DHAARN O=C(NC1CCCCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000000260281 180740664 /nfs/dbraw/zinc/74/06/64/180740664.db2.gz AZIUWQSWCCUDSQ-UHFFFAOYSA-N 0 0 314.429 3.656 50 0 DHAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc21 ZINC000000311633 180755940 /nfs/dbraw/zinc/75/59/40/180755940.db2.gz BPFFCWQHXUAJEO-UHFFFAOYSA-N 0 0 316.334 3.809 50 0 DHAARN O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccco1 ZINC000000299345 180751704 /nfs/dbraw/zinc/75/17/04/180751704.db2.gz JKAVNLSUGXDGAZ-UHFFFAOYSA-N 0 0 308.289 3.718 50 0 DHAARN CN(C)c1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000000340475 180761762 /nfs/dbraw/zinc/76/17/62/180761762.db2.gz LPWIZDFSCGVJFO-UHFFFAOYSA-N 0 0 310.788 3.925 50 0 DHAARN Cc1ccc(N2C(=O)C(=Cc3ccccc3)NC2=NC(C)C)cc1 ZINC000000382932 180773111 /nfs/dbraw/zinc/77/31/11/180773111.db2.gz LTNRLSZCMPVRRJ-AQTBWJFISA-N 0 0 319.408 3.737 50 0 DHAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1ccccn1 ZINC000000352152 180764688 /nfs/dbraw/zinc/76/46/88/180764688.db2.gz WJVLMPBAYGZROF-UHFFFAOYSA-N 0 0 310.426 3.961 50 0 DHAARN Nc1ccccc1NC(=O)CSc1nc2ccccc2s1 ZINC000000405820 180778020 /nfs/dbraw/zinc/77/80/20/180778020.db2.gz DPJSLHAPYVUHDA-UHFFFAOYSA-N 0 0 315.423 3.609 50 0 DHAARN C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000000396925 180776434 /nfs/dbraw/zinc/77/64/34/180776434.db2.gz WTPKXCSFXILBLM-IUCAKERBSA-N 0 0 303.189 3.635 50 0 DHAARN CC(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000450467 180794981 /nfs/dbraw/zinc/79/49/81/180794981.db2.gz ZZWYYGRPMKRHSX-UHFFFAOYSA-N 0 0 307.353 3.998 50 0 DHAARN COC(=O)c1ccccc1NC(=O)c1oc2ccccc2c1C ZINC000000481978 180804663 /nfs/dbraw/zinc/80/46/63/180804663.db2.gz QEULWPNHMXIJAI-UHFFFAOYSA-N 0 0 309.321 3.780 50 0 DHAARN CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N ZINC000000502225 180808882 /nfs/dbraw/zinc/80/88/82/180808882.db2.gz RFRSNPNFAVILGX-UHFFFAOYSA-N 0 0 319.817 3.616 50 0 DHAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000000533106 180815954 /nfs/dbraw/zinc/81/59/54/180815954.db2.gz YECLRRWRYMCKQN-HNNXBMFYSA-N 0 0 319.408 3.885 50 0 DHAARN O=C1N2CCCN2[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000000545758 180818304 /nfs/dbraw/zinc/81/83/04/180818304.db2.gz HMGQLPXMYWDKTK-MRXNPFEDSA-N 0 0 313.788 3.902 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320.392 3.948 50 0 DHAARN CC(=O)Oc1cccc(C(=O)c2ccccc2Br)c1 ZINC000043209854 183344519 /nfs/dbraw/zinc/34/45/19/183344519.db2.gz WEJIBCDQSQAPQC-UHFFFAOYSA-N 0 0 319.154 3.605 50 0 DHAARN O=C(c1ccc(C(F)(F)F)cc1)c1cccc(C2OCCO2)c1 ZINC000043212574 183344858 /nfs/dbraw/zinc/34/48/58/183344858.db2.gz ZOGNYISBTHYRRB-UHFFFAOYSA-N 0 0 322.282 3.982 50 0 DHAARN O=C(c1ccc(C2OCCO2)cc1)c1cccc(C(F)(F)F)c1 ZINC000043212669 183345422 /nfs/dbraw/zinc/34/54/22/183345422.db2.gz ANHOREKQZUJQPM-UHFFFAOYSA-N 0 0 322.282 3.982 50 0 DHAARN CCCc1nnc(SCc2nc3cc(Cl)ccc3n2C)[nH]1 ZINC000043242553 183346462 /nfs/dbraw/zinc/34/64/62/183346462.db2.gz OUSYFESEMJIUAM-UHFFFAOYSA-N 0 0 321.837 3.590 50 0 DHAARN COCCn1cnnc1SCc1ccc(C(C)(C)C)cc1 ZINC000043463842 183364772 /nfs/dbraw/zinc/36/47/72/183364772.db2.gz VIXAAXPNIYHUQU-UHFFFAOYSA-N 0 0 305.447 3.514 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000043653942 183377618 /nfs/dbraw/zinc/37/76/18/183377618.db2.gz XRGMQJBEJYYBEN-NSHDSACASA-N 0 0 315.348 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CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc(C)on1 ZINC000013327006 563380899 /nfs/dbraw/zinc/38/08/99/563380899.db2.gz FRWXQCXHVMHWOB-UHFFFAOYSA-N 0 0 322.386 3.597 50 0 DHAARN Cc1ccnc(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)c1 ZINC000013331046 563381318 /nfs/dbraw/zinc/38/13/18/563381318.db2.gz BPYFVFHBPIPSIZ-LBPRGKRZSA-N 0 0 304.777 3.758 50 0 DHAARN Cc1ccc([S@@](=O)CCC[S@@](=O)c2ccc(C)cc2)cc1 ZINC000013398457 563381417 /nfs/dbraw/zinc/38/14/17/563381417.db2.gz WMAYQNLTRBBCGT-OYRHEFFESA-N 0 0 320.479 3.609 50 0 DHAARN Cc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)c(C)c1 ZINC000013482734 563382804 /nfs/dbraw/zinc/38/28/04/563382804.db2.gz NVKDOFGHWLTHNV-UHFFFAOYSA-N 0 0 314.410 3.519 50 0 DHAARN Cc1c(C)n(Cc2ccco2)c2ncnc(N3CCCCC3)c12 ZINC000013494744 563382907 /nfs/dbraw/zinc/38/29/07/563382907.db2.gz LSVBPQBHHZWCFM-UHFFFAOYSA-N 0 0 310.401 3.680 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1 ZINC000013552414 563383301 /nfs/dbraw/zinc/38/33/01/563383301.db2.gz BWMGEUMRYJZGHT-DHZHZOJOSA-N 0 0 310.378 3.957 50 0 biogenic 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Cc1cccc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000014116077 563396360 /nfs/dbraw/zinc/39/63/60/563396360.db2.gz ZWKQTZPLWIMUTF-CYBMUJFWSA-N 0 0 314.351 3.516 50 0 DHAARN Cc1noc2nc(C)cc(C(=O)Nc3cccc(Cl)c3)c12 ZINC000014179875 563397043 /nfs/dbraw/zinc/39/70/43/563397043.db2.gz FJHGJVHURBOLSY-UHFFFAOYSA-N 0 0 301.733 3.745 50 0 DHAARN CC(=O)Nc1ccc(-c2nc(N3CCCC3)sc2C)cc1 ZINC000014199931 563397517 /nfs/dbraw/zinc/39/75/17/563397517.db2.gz QVXLPCWSGVFZTB-UHFFFAOYSA-N 0 0 301.415 3.677 50 0 DHAARN Cc1cc(Br)ccc1NC(=O)CC[C@@H]1CCCO1 ZINC000032816076 563397817 /nfs/dbraw/zinc/39/78/17/563397817.db2.gz CLKUCDXWAROXDI-LBPRGKRZSA-N 0 0 312.207 3.655 50 0 DHAARN C[C@H](NC(=O)c1cc(Cl)ccn1)c1ccc(Cl)s1 ZINC000032817603 563398200 /nfs/dbraw/zinc/39/82/00/563398200.db2.gz YQAHBZWAMAUIAH-ZETCQYMHSA-N 0 0 301.198 3.941 50 0 DHAARN COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000032817494 563398492 /nfs/dbraw/zinc/39/84/92/563398492.db2.gz WWVYTQFUCSUFCB-UHFFFAOYSA-N 0 0 319.364 3.713 50 0 DHAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCc1nnsc1Cl ZINC000032814297 563399106 /nfs/dbraw/zinc/39/91/06/563399106.db2.gz PSKIHVCMOGDWLH-LURJTMIESA-N 0 0 312.753 3.600 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)n[nH]2)cc1 ZINC000014263687 563399415 /nfs/dbraw/zinc/39/94/15/563399415.db2.gz SEXABJNLIJUGGO-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN COc1cc(C(=O)NCc2ccc(OC(F)F)cc2)ccc1C ZINC000014253679 563399868 /nfs/dbraw/zinc/39/98/68/563399868.db2.gz RNDUDMCHHITEHE-UHFFFAOYSA-N 0 0 321.323 3.535 50 0 DHAARN Cc1nc(CN2CC=C(c3c[nH]c4ncccc34)CC2)sc1C ZINC000268681640 563400253 /nfs/dbraw/zinc/40/02/53/563400253.db2.gz OMHFDSGFHBDRQO-UHFFFAOYSA-N 0 0 324.453 3.926 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1cc(-c2cccc(F)c2)no1 ZINC000032833222 563401104 /nfs/dbraw/zinc/40/11/04/563401104.db2.gz HZKOEJJTTLHVOM-UHFFFAOYSA-N 0 0 314.291 3.550 50 0 DHAARN Cc1nnc(NC(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000014634798 563402154 /nfs/dbraw/zinc/40/21/54/563402154.db2.gz YEOMXTABSXZAIM-UHFFFAOYSA-N 0 0 306.149 3.545 50 0 DHAARN CCOc1ccccc1C(=O)N1CCCc2cc(OC)ccc21 ZINC000032848572 563402281 /nfs/dbraw/zinc/40/22/81/563402281.db2.gz UDTJPBHFEOZLFB-UHFFFAOYSA-N 0 0 311.381 3.687 50 0 DHAARN CN(CCOc1ccc(N)c(C(F)(F)F)c1)c1ccccc1 ZINC000014630331 563402286 /nfs/dbraw/zinc/40/22/86/563402286.db2.gz OWSLOVFOLSVYSZ-UHFFFAOYSA-N 0 0 310.319 3.803 50 0 DHAARN CSc1ncccc1C(=O)NCCCCc1ccccc1 ZINC000032854781 563402668 /nfs/dbraw/zinc/40/26/68/563402668.db2.gz KNESTITUGJENOY-UHFFFAOYSA-N 0 0 300.427 3.556 50 0 DHAARN COc1ccc2nc(C(=O)Nc3cc(F)ccc3F)ccc2c1 ZINC000032865854 563403529 /nfs/dbraw/zinc/40/35/29/563403529.db2.gz IWTUZFFOPRUWJZ-UHFFFAOYSA-N 0 0 314.291 3.774 50 0 DHAARN Cc1ccc([C@@H](NC(=O)Cc2noc3ccccc23)C2CC2)cc1 ZINC000032865762 563403645 /nfs/dbraw/zinc/40/36/45/563403645.db2.gz SZNHPBJXIFWOJJ-HXUWFJFHSA-N 0 0 320.392 3.946 50 0 DHAARN Cc1ccc(SCCNC(=O)N(C)Cc2ccccc2)cc1 ZINC000032863403 563403777 /nfs/dbraw/zinc/40/37/77/563403777.db2.gz XPZHPDIRTHRYCC-UHFFFAOYSA-N 0 0 314.454 3.929 50 0 DHAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccccn1 ZINC000014912259 563404451 /nfs/dbraw/zinc/40/44/51/563404451.db2.gz GMOUNWDFNVKYDO-UHFFFAOYSA-N 0 0 315.804 3.978 50 0 DHAARN Cc1occc1C(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000015079399 563406749 /nfs/dbraw/zinc/40/67/49/563406749.db2.gz DDLAXRQZESSNJW-CYBMUJFWSA-N 0 0 320.339 3.583 50 0 DHAARN CSCCC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000015069148 563406974 /nfs/dbraw/zinc/40/69/74/563406974.db2.gz LOJKGSBIRTXSNH-QGZVFWFLSA-N 0 0 320.502 3.966 50 0 DHAARN CCCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 ZINC000015077875 563407108 /nfs/dbraw/zinc/40/71/08/563407108.db2.gz FGINJRNPHHZSLV-MRXNPFEDSA-N 0 0 311.429 3.802 50 0 DHAARN O=C(COC(c1ccccc1)c1ccccc1)Nc1cccnc1 ZINC000032896766 563408232 /nfs/dbraw/zinc/40/82/32/563408232.db2.gz SOHKPZUOIVWPTA-UHFFFAOYSA-N 0 0 318.376 3.826 50 0 DHAARN O=C(COC(c1ccccc1)c1ccccc1)NCc1ccco1 ZINC000032896110 563408437 /nfs/dbraw/zinc/40/84/37/563408437.db2.gz KDPZEFPEUVHZHW-UHFFFAOYSA-N 0 0 321.376 3.702 50 0 DHAARN CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)s1 ZINC000032885737 563408488 /nfs/dbraw/zinc/40/84/88/563408488.db2.gz POQBTWPYDGBRMA-UHFFFAOYSA-N 0 0 320.439 3.928 50 0 DHAARN CCCn1nnc(NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000015356948 563409532 /nfs/dbraw/zinc/40/95/32/563409532.db2.gz LDBUNISCMMQILY-UHFFFAOYSA-N 0 0 317.780 3.609 50 0 DHAARN Cc1nn(C)c(C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000032902828 563410316 /nfs/dbraw/zinc/41/03/16/563410316.db2.gz IYRRPBLTHHHLDZ-UHFFFAOYSA-N 0 0 311.307 3.616 50 0 DHAARN C[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccc(F)c(F)c1 ZINC000032914102 563411357 /nfs/dbraw/zinc/41/13/57/563411357.db2.gz FWZZETIESZJEOG-STQMWFEESA-N 0 0 319.351 3.747 50 0 DHAARN Cc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1 ZINC000032914035 563411392 /nfs/dbraw/zinc/41/13/92/563411392.db2.gz QZLVVDASKODVFR-UHFFFAOYSA-N 0 0 311.385 3.777 50 0 DHAARN CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000032914310 563411960 /nfs/dbraw/zinc/41/19/60/563411960.db2.gz JVQNIKPQRSIUNE-UHFFFAOYSA-N 0 0 315.348 3.608 50 0 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c1coc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)c1 ZINC000096193975 563535455 /nfs/dbraw/zinc/53/54/55/563535455.db2.gz ONABBQKCMGCVQC-UHFFFAOYSA-N 0 0 308.322 3.859 50 0 DHAARN Cc1nc(-c2ccccc2-c2nc[nH]n2)n(C2CCCCC2)n1 ZINC000096179506 563535654 /nfs/dbraw/zinc/53/56/54/563535654.db2.gz XVQFQLSEDFXGHC-UHFFFAOYSA-N 0 0 308.389 3.544 50 0 DHAARN O=C(OCc1cc(-c2ccc(F)cc2)on1)c1cccs1 ZINC000011613666 563537790 /nfs/dbraw/zinc/53/77/90/563537790.db2.gz CQQMUPISLNIISI-UHFFFAOYSA-N 0 0 303.314 3.899 50 0 DHAARN Cc1ccc(-c2ncccc2C(=O)N2C[C@H]3CC[C@@H]2C3)cc1C ZINC000097179435 563538082 /nfs/dbraw/zinc/53/80/82/563538082.db2.gz PMOSIVXZDPHIHR-DOTOQJQBSA-N 0 0 306.409 3.990 50 0 DHAARN Cc1cc(NC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)n(-c2ccccc2)n1 ZINC000097425416 563539242 /nfs/dbraw/zinc/53/92/42/563539242.db2.gz XOVWMFWXMNTYSI-IYBDPMFKSA-N 0 0 322.412 3.611 50 0 DHAARN O=C(Nc1cc(F)cc(F)c1F)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000097515181 563539332 /nfs/dbraw/zinc/53/93/32/563539332.db2.gz 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/nfs/dbraw/zinc/54/79/26/563547926.db2.gz YDKNIIVEXGDYGP-KTKRTIGZSA-N 0 0 315.739 3.538 50 0 DHAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1 ZINC000100433951 563550603 /nfs/dbraw/zinc/55/06/03/563550603.db2.gz CYVPIBMKQCYGTE-UHFFFAOYSA-N 0 0 302.786 3.636 50 0 DHAARN CC1=C(C)C[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2C1 ZINC000100937371 563554696 /nfs/dbraw/zinc/55/46/96/563554696.db2.gz BMKKJOCEEVKJAN-VXGBXAGGSA-N 0 0 323.314 3.941 50 0 DHAARN O=C(Cc1csc(-c2cccc(F)c2)n1)NC1CCCCC1 ZINC000014076801 563558630 /nfs/dbraw/zinc/55/86/30/563558630.db2.gz JQFHLLBSYQQULK-UHFFFAOYSA-N 0 0 318.417 3.941 50 0 DHAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc[nH]2)cc1 ZINC000102861758 563560106 /nfs/dbraw/zinc/56/01/06/563560106.db2.gz OWRKRNPVUBPMHE-MUJYYYPQSA-N 0 0 310.397 3.574 50 0 DHAARN CCn1c2ccccc2nc1NCc1nc2ccccc2n1C ZINC000000111495 563571009 /nfs/dbraw/zinc/57/10/09/563571009.db2.gz MMGSLBDZHABKQC-UHFFFAOYSA-N 0 0 305.385 3.555 50 0 DHAARN CCc1cc2c(ncn(Cc3cccc(Cl)c3)c2=O)s1 ZINC000000148865 563573281 /nfs/dbraw/zinc/57/32/81/563573281.db2.gz KKDXFCOMLLLNMH-UHFFFAOYSA-N 0 0 304.802 3.722 50 0 DHAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccco1 ZINC000000176306 563575172 /nfs/dbraw/zinc/57/51/72/563575172.db2.gz UYICHVJQGWFGQE-GHXNOFRVSA-N 0 0 308.120 3.931 50 0 DHAARN COc1cccc(NC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000000180483 563575519 /nfs/dbraw/zinc/57/55/19/563575519.db2.gz RJUADYJLDDTYRW-JTQLQIEISA-N 0 0 317.414 3.921 50 0 DHAARN O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccccc2)nc1 ZINC000000190493 563576810 /nfs/dbraw/zinc/57/68/10/563576810.db2.gz OLFSCPKAHMFATL-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN O=C(c1nc2c(n1O)CCCCC2)c1cccc2ccccc21 ZINC000000210486 563578778 /nfs/dbraw/zinc/57/87/78/563578778.db2.gz XFHOTVLYSHCQQS-UHFFFAOYSA-N 0 0 306.365 3.774 50 0 DHAARN O=C(CSc1nc2ccccc2[nH]1)NCCC1=CCCCC1 ZINC000000215989 563578807 /nfs/dbraw/zinc/57/88/07/563578807.db2.gz AYIYWYSSTVLXFG-UHFFFAOYSA-N 0 0 315.442 3.662 50 0 DHAARN Clc1ccccc1[C@H]1C[C@@H](c2cccs2)Nc2nnnn21 ZINC000000222717 563579083 /nfs/dbraw/zinc/57/90/83/563579083.db2.gz QRBVEGDPUGNFJT-NWDGAFQWSA-N 0 0 317.805 3.534 50 0 DHAARN Cc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2ncnn21 ZINC000000222998 563579420 /nfs/dbraw/zinc/57/94/20/563579420.db2.gz FAEPNAPTSCFVQQ-DLBZAZTESA-N 0 0 308.360 3.872 50 0 DHAARN C[C@H](Cc1ccsc1)NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000050156612 563579787 /nfs/dbraw/zinc/57/97/87/563579787.db2.gz WJNGWXBVJIEHIR-CJNGLKHVSA-N 0 0 315.442 3.621 50 0 DHAARN Cc1ccc(CSC2=NCCN2C(=O)Cc2ccccc2)cc1 ZINC000000244558 563581038 /nfs/dbraw/zinc/58/10/38/563581038.db2.gz HIERRHHNFAKJBZ-UHFFFAOYSA-N 0 0 324.449 3.669 50 0 DHAARN CC[C@@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 ZINC000078703427 563582929 /nfs/dbraw/zinc/58/29/29/563582929.db2.gz LPXRAPNPYRPNHR-ZDUSSCGKSA-N 0 0 308.381 3.704 50 0 DHAARN O=P(OCC(F)(F)F)(N1CCCCC1)N1CCCCC1 ZINC000000282155 563584719 /nfs/dbraw/zinc/58/47/19/563584719.db2.gz BEMRASKYRIJJGQ-UHFFFAOYSA-N 0 0 314.288 3.645 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccn1 ZINC000000291552 563585322 /nfs/dbraw/zinc/58/53/22/563585322.db2.gz NGAPECQPIAXRPG-SECBINFHSA-N 0 0 311.168 3.794 50 0 DHAARN CC(C)c1ccc(OC[C@@H](O)CSc2ccccn2)cc1 ZINC000011692555 563587969 /nfs/dbraw/zinc/58/79/69/563587969.db2.gz QAXBJEAWWLIWFA-OAHLLOKOSA-N 0 0 303.427 3.737 50 0 DHAARN NC(=O)[C@@H]1CCCc2c3ccccc3n(Cc3ccccc3)c21 ZINC000000318470 563588451 /nfs/dbraw/zinc/58/84/51/563588451.db2.gz DLDVEAOFGGHINB-QGZVFWFLSA-N 0 0 304.393 3.595 50 0 DHAARN O=C1c2ccc3c4c(ccc(c42)C(=O)N1c1ccccc1F)CC3 ZINC000000337908 563588958 /nfs/dbraw/zinc/58/89/58/563588958.db2.gz IWTWJFWCIJPJAR-UHFFFAOYSA-N 0 0 317.319 3.878 50 0 DHAARN O=C(Cc1cc(-c2ccc(F)cc2)on1)N1CCc2ccccc21 ZINC000011693137 563589006 /nfs/dbraw/zinc/58/90/06/563589006.db2.gz UHSSTKRJLKYQIC-UHFFFAOYSA-N 0 0 322.339 3.613 50 0 DHAARN O=C(Cc1[nH]nc2ccccc21)N1CCC[C@@H]1c1ccsc1 ZINC000050580144 563589517 /nfs/dbraw/zinc/58/95/17/563589517.db2.gz LMYGEVZVOJSKBY-MRXNPFEDSA-N 0 0 311.410 3.531 50 0 DHAARN COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000000354635 563590015 /nfs/dbraw/zinc/59/00/15/563590015.db2.gz NSJCEBWUTMEBIZ-XNTDXEJSSA-N 0 0 313.740 3.693 50 0 DHAARN CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(C)cc1 ZINC000000350071 563590059 /nfs/dbraw/zinc/59/00/59/563590059.db2.gz YJSGXHVKZSSCKV-UHFFFAOYSA-N 0 0 309.394 3.664 50 0 DHAARN COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000000359825 563590131 /nfs/dbraw/zinc/59/01/31/563590131.db2.gz WTMKRLKOVMHLPY-XNTDXEJSSA-N 0 0 313.740 3.693 50 0 DHAARN Nc1cccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)c1 ZINC000178626831 563590735 /nfs/dbraw/zinc/59/07/35/563590735.db2.gz BSRVGESVIBXQGV-UHFFFAOYSA-N 0 0 314.351 3.996 50 0 DHAARN O=C1c2ccccc2N[C@@H](c2ccccn2)N1Cc1ccccc1 ZINC000000384390 563591822 /nfs/dbraw/zinc/59/18/22/563591822.db2.gz JJHVWYUFGKMROZ-LJQANCHMSA-N 0 0 315.376 3.848 50 0 DHAARN Cc1cccc(-c2nnc3sc(/C=C\c4ccco4)nn32)c1 ZINC000033539875 563594176 /nfs/dbraw/zinc/59/41/76/563594176.db2.gz YVNSCTSAAVKFAQ-FPLPWBNLSA-N 0 0 308.366 3.925 50 0 DHAARN CN(C[C@@H]1CCCCO1)C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000119472447 563594541 /nfs/dbraw/zinc/59/45/41/563594541.db2.gz YAEOIRJMSOPXJT-INIZCTEOSA-N 0 0 321.848 3.789 50 0 DHAARN Cc1cccc(CCNC(=O)c2ncoc2-c2cccs2)c1 ZINC000005001949 563595665 /nfs/dbraw/zinc/59/56/65/563595665.db2.gz SRBNAJKHODKZOM-UHFFFAOYSA-N 0 0 312.394 3.684 50 0 DHAARN CN(C)C(=O)c1ccccc1NCc1cccc(Cl)c1F ZINC000166724762 563597912 /nfs/dbraw/zinc/59/79/12/563597912.db2.gz AYWBNNCMADYINC-UHFFFAOYSA-N 0 0 306.768 3.793 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)c1ccc2ncsc2c1 ZINC000011749915 563598932 /nfs/dbraw/zinc/59/89/32/563598932.db2.gz CPLVSZXENSLZDH-UHFFFAOYSA-N 0 0 308.406 3.758 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)c1ccc(OC(F)F)cc1 ZINC000011749488 563598943 /nfs/dbraw/zinc/59/89/43/563598943.db2.gz SMOXCEHYCMOOQS-UHFFFAOYSA-N 0 0 317.335 3.750 50 0 DHAARN CC(=O)Nc1ccc(SCc2c(F)cccc2Cl)nn1 ZINC000011738792 563599086 /nfs/dbraw/zinc/59/90/86/563599086.db2.gz BBDCMKDAEGOTKZ-UHFFFAOYSA-N 0 0 311.769 3.520 50 0 DHAARN c1[nH]nc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12 ZINC000011856427 563599959 /nfs/dbraw/zinc/59/99/59/563599959.db2.gz DSLPSPZKDSTVLJ-UHFFFAOYSA-N 0 0 303.325 3.889 50 0 DHAARN Cc1nc(-c2cccs2)ccc1C(=O)NCCc1ccco1 ZINC000073328179 563600761 /nfs/dbraw/zinc/60/07/61/563600761.db2.gz PQFIMTNMZDZPPF-UHFFFAOYSA-N 0 0 312.394 3.684 50 0 DHAARN CCCc1cc2c3c(c(=O)oc2c(C(C)=O)c1O)CCCC3 ZINC000011866517 563600767 /nfs/dbraw/zinc/60/07/67/563600767.db2.gz BQWZYVJSRKKZLN-UHFFFAOYSA-N 0 0 300.354 3.533 50 0 biogenic DHAARN Cc1ccc(NC(=O)CSc2nccn2C2CC2)cc1C ZINC000011891191 563601413 /nfs/dbraw/zinc/60/14/13/563601413.db2.gz USDKHWISGDZOBM-UHFFFAOYSA-N 0 0 301.415 3.566 50 0 DHAARN COc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 ZINC000011914413 563601799 /nfs/dbraw/zinc/60/17/99/563601799.db2.gz QTLDHFVKMWJGPJ-UHFFFAOYSA-N 0 0 317.395 3.528 50 0 DHAARN CC(C)[C@H](C)N(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CC1 ZINC000127814002 563604700 /nfs/dbraw/zinc/60/47/00/563604700.db2.gz YIZGJWHFQYIZOI-LBPRGKRZSA-N 0 0 315.392 3.865 50 0 DHAARN O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000002064730 563606106 /nfs/dbraw/zinc/60/61/06/563606106.db2.gz PTHKOBIYHTVQNX-UHFFFAOYSA-N 0 0 302.326 3.747 50 0 DHAARN COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000252539627 563611004 /nfs/dbraw/zinc/61/10/04/563611004.db2.gz OEZUNSYDVMYICH-LBPRGKRZSA-N 0 0 316.323 3.890 50 0 DHAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(F)c2)cc1 ZINC000000423860 563612002 /nfs/dbraw/zinc/61/20/02/563612002.db2.gz OMPQCAYYWNEBAO-MRXNPFEDSA-N 0 0 303.358 3.613 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)c1noc2c1CCCCC2 ZINC000000426577 563612577 /nfs/dbraw/zinc/61/25/77/563612577.db2.gz IZCYZMRZFGUUKX-UHFFFAOYSA-N 0 0 320.776 3.858 50 0 DHAARN Cn1cc(SCC(=O)N2CCc3ccccc32)c2ccccc21 ZINC000000425859 563613325 /nfs/dbraw/zinc/61/33/25/563613325.db2.gz XGJYWCFKIPIARS-UHFFFAOYSA-N 0 0 322.433 3.860 50 0 DHAARN CC(C)(C)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)no1 ZINC000000444696 563615091 /nfs/dbraw/zinc/61/50/91/563615091.db2.gz RBAOTOWPSXRKBC-UHFFFAOYSA-N 0 0 316.254 3.781 50 0 aggregator DHAARN C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000074856735 563616055 /nfs/dbraw/zinc/61/60/55/563616055.db2.gz HNDQFFIMBCSPDK-JTQLQIEISA-N 0 0 315.847 3.582 50 0 DHAARN COC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl ZINC000000457901 563617257 /nfs/dbraw/zinc/61/72/57/563617257.db2.gz PIUHIERTAPWTQY-UHFFFAOYSA-N 0 0 303.745 3.687 50 0 DHAARN CNc1ccccc1C(=O)OCC(=O)c1cccc2ccccc21 ZINC000000461974 563617490 /nfs/dbraw/zinc/61/74/90/563617490.db2.gz ZFFOLBJVXXBXHQ-UHFFFAOYSA-N 0 0 319.360 3.921 50 0 DHAARN C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccccn1 ZINC000080056430 563617592 /nfs/dbraw/zinc/61/75/92/563617592.db2.gz MQQVRGMUKWPKQZ-CQSZACIVSA-N 0 0 319.474 3.604 50 0 DHAARN COc1ccc(OC)c(/C=C/C(=O)NC2CCCCCC2)c1 ZINC000000147225 563617775 /nfs/dbraw/zinc/61/77/75/563617775.db2.gz SJCVEBSROSUZAT-FMIVXFBMSA-N 0 0 303.402 3.556 50 0 DHAARN CCc1noc(CC)c1CN[C@@H](C)c1cc(C)ccc1OC ZINC000166959407 563618542 /nfs/dbraw/zinc/61/85/42/563618542.db2.gz OEQGNJXRCVYXRJ-ZDUSSCGKSA-N 0 0 302.418 3.967 50 0 DHAARN Cc1cc(C)n(-c2ccccc2)c2nn(-c3ccccc3)c(=O)c1-2 ZINC000000173059 563619845 /nfs/dbraw/zinc/61/98/45/563619845.db2.gz LUIUYGXMWCAILW-UHFFFAOYSA-N 0 0 315.376 3.745 50 0 DHAARN CCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1 ZINC000002626206 563621461 /nfs/dbraw/zinc/62/14/61/563621461.db2.gz JBYKGYAXBSYBJB-UHFFFAOYSA-N 0 0 305.377 3.918 50 0 DHAARN Cc1cc(C)cc(CNc2ccn(CCc3ccncc3)n2)c1 ZINC000151512893 563622404 /nfs/dbraw/zinc/62/24/04/563622404.db2.gz NFHRRUYTKWSMJK-UHFFFAOYSA-N 0 0 306.413 3.750 50 0 DHAARN Cc1cc(C(=O)Nc2ccsc2)nn1-c1ccc(F)cc1F ZINC000152300037 563623585 /nfs/dbraw/zinc/62/35/85/563623585.db2.gz RBZJDGCZXRSGMA-UHFFFAOYSA-N 0 0 319.336 3.773 50 0 DHAARN c1ccc2c(c1)COC(CNc1cccc3cccnc31)OC2 ZINC000005590053 563624194 /nfs/dbraw/zinc/62/41/94/563624194.db2.gz RHWXACJGLNPLSP-UHFFFAOYSA-N 0 0 306.365 3.720 50 0 DHAARN C[C@@H]1C[C@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000008745809 563625714 /nfs/dbraw/zinc/62/57/14/563625714.db2.gz SHEJZAUIPSNJER-PSASIEDQSA-N 0 0 323.418 3.564 50 0 DHAARN O=C(c1ccsc1)N(Cc1cccs1)C1CCOCC1 ZINC000206674269 563626349 /nfs/dbraw/zinc/62/63/49/563626349.db2.gz UDKQCUWMDVPASB-UHFFFAOYSA-N 0 0 307.440 3.631 50 0 DHAARN CCC(=O)N1CCCc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000017248031 563626880 /nfs/dbraw/zinc/62/68/80/563626880.db2.gz AWKOURJFQLBHJV-UHFFFAOYSA-N 0 0 314.429 3.895 50 0 DHAARN CN(C)c1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000173379297 563627279 /nfs/dbraw/zinc/62/72/79/563627279.db2.gz PCWAKDMSRIEWBO-OAHLLOKOSA-N 0 0 315.442 3.577 50 0 DHAARN CC(=O)Nc1ccccc1OCCCOc1ccc(F)cc1 ZINC000017477744 563627630 /nfs/dbraw/zinc/62/76/30/563627630.db2.gz OBLKMXJQCGZSNG-UHFFFAOYSA-N 0 0 303.333 3.632 50 0 DHAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 ZINC000000064390 563628034 /nfs/dbraw/zinc/62/80/34/563628034.db2.gz AVLHWHZPFYAHTA-UHFFFAOYSA-N 0 0 321.423 3.727 50 0 aggregator DHAARN O=C(Nc1nccs1)c1cccc2c1C(=O)c1ccccc1-2 ZINC000000134072 563628273 /nfs/dbraw/zinc/62/82/73/563628273.db2.gz JOOCSHUEOQMEDW-UHFFFAOYSA-N 0 0 306.346 3.607 50 0 DHAARN O=C(Oc1ccc(I)cc1)c1ccccc1 ZINC000000360758 563629833 /nfs/dbraw/zinc/62/98/33/563629833.db2.gz YAHSINAVCDIIEJ-UHFFFAOYSA-N 0 0 324.117 3.510 50 0 DHAARN COC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000000508067 563629906 /nfs/dbraw/zinc/62/99/06/563629906.db2.gz ADAULKIDUFESOZ-UHFFFAOYSA-N 0 0 304.733 3.771 50 0 DHAARN O=C(NC[C@H](O)c1ccccc1)Nc1cccc2ccccc21 ZINC000000405898 563630295 /nfs/dbraw/zinc/63/02/95/563630295.db2.gz PJCUSCWUCXDIMV-SFHVURJKSA-N 0 0 306.365 3.695 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000461437 563630834 /nfs/dbraw/zinc/63/08/34/563630834.db2.gz DATCMWTYOPUOBV-GFCCVEGCSA-N 0 0 317.772 3.949 50 0 DHAARN CCOc1ccc2[nH]c3c(ncnc3N3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000017748253 563632168 /nfs/dbraw/zinc/63/21/68/563632168.db2.gz XWAYJNMEZYADDT-BETUJISGSA-N 0 0 324.428 3.992 50 0 DHAARN COc1cccc(O)c1C(=O)Nc1ccccc1C(F)(F)F ZINC000003110229 563635926 /nfs/dbraw/zinc/63/59/26/563635926.db2.gz TXCAFVXFRGVNCA-UHFFFAOYSA-N 0 0 311.259 3.672 50 0 DHAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000003154997 563636100 /nfs/dbraw/zinc/63/61/00/563636100.db2.gz YOFVPGNOKDVKSL-UHFFFAOYSA-N 0 0 305.177 3.774 50 0 DHAARN CO[C@H](CNC(=O)/C=C/c1ccsc1)c1ccccc1Cl ZINC000206851259 563639372 /nfs/dbraw/zinc/63/93/72/563639372.db2.gz DHDZWIQVCLEUMZ-LQYUOIDQSA-N 0 0 321.829 3.919 50 0 DHAARN Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3cnccc31)CCO2 ZINC000189584809 563640196 /nfs/dbraw/zinc/64/01/96/563640196.db2.gz PXAUBGGVZMCNLM-GOSISDBHSA-N 0 0 308.356 3.987 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2 ZINC000000483878 563645349 /nfs/dbraw/zinc/64/53/49/563645349.db2.gz LTFPQMHTCFYFHM-UHFFFAOYSA-N 0 0 307.415 3.542 50 0 DHAARN Cc1nn(C(=O)c2ccc3ncccc3c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000485960 563646168 /nfs/dbraw/zinc/64/61/68/563646168.db2.gz JJAIUFGYGBURLA-RDTXWAMCSA-N 0 0 317.392 3.724 50 0 biogenic DHAARN Cc1oc2cc(OC(=O)N(C)C)ccc2c(=O)c1-c1ccccc1 ZINC000000491160 563649930 /nfs/dbraw/zinc/64/99/30/563649930.db2.gz MRGNWNPKQIOMEQ-UHFFFAOYSA-N 0 0 323.348 3.829 50 0 biogenic DHAARN COc1ccc(C(=O)Nc2nc3nc(C)cc(C)c3s2)cc1 ZINC000011666326 563650315 /nfs/dbraw/zinc/65/03/15/563650315.db2.gz GIJUHUKKSPNAHO-UHFFFAOYSA-N 0 0 313.382 3.569 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1OC ZINC000000496465 563650749 /nfs/dbraw/zinc/65/07/49/563650749.db2.gz LVSCUTFSANVIHQ-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN COc1ccccc1/C(C)=C\C(=O)N(C)CCC(F)(F)F ZINC000101392564 563655673 /nfs/dbraw/zinc/65/56/73/563655673.db2.gz IYPFWOFEXQLCPG-KHPPLWFESA-N 0 0 301.308 3.509 50 0 DHAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3C)C2)cc1 ZINC000102047585 563657822 /nfs/dbraw/zinc/65/78/22/563657822.db2.gz QYPDNOPCRIOEPK-GOSISDBHSA-N 0 0 302.381 3.951 50 0 DHAARN Fc1ccc2[nH]c3c(ncnc3N3CCc4ccccc4C3)c2c1 ZINC000000507940 563657843 /nfs/dbraw/zinc/65/78/43/563657843.db2.gz GLFPCJRGYHIIEA-UHFFFAOYSA-N 0 0 318.355 3.813 50 0 DHAARN Cc1nc(CC(=O)N2CCCC[C@H]2c2nccs2)c(C)s1 ZINC000178033182 563659143 /nfs/dbraw/zinc/65/91/43/563659143.db2.gz JCCHFTQFNUOVMB-ZDUSSCGKSA-N 0 0 321.471 3.513 50 0 DHAARN Cc1nc(C2=C(N)N(c3ccc(F)cc3F)CC2=O)sc1C ZINC000102735286 563662009 /nfs/dbraw/zinc/66/20/09/563662009.db2.gz PEZPRSAZNHUBBK-UHFFFAOYSA-N 0 0 321.352 3.805 50 0 DHAARN CCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21 ZINC000000525413 563664513 /nfs/dbraw/zinc/66/45/13/563664513.db2.gz XWTJJSIFCDSJOL-UHFFFAOYSA-N 0 0 310.401 3.897 50 0 DHAARN CCOc1ccc(CN(C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000014170917 563665659 /nfs/dbraw/zinc/66/56/59/563665659.db2.gz CWTCJTVMVUFWCX-UHFFFAOYSA-N 0 0 308.381 3.839 50 0 DHAARN C[C@@H]1CC[C@@H](OC(=O)CCC(=O)NC2CCCCC2)C[C@H]1C ZINC000103237614 563666897 /nfs/dbraw/zinc/66/68/97/563666897.db2.gz CTEKOCWIQAXHMQ-IIAWOOMASA-N 0 0 309.450 3.583 50 0 DHAARN CCC[C@H](NC(=O)c1ccc(OC)cc1)c1nc2ccccc2[nH]1 ZINC000000536188 563667301 /nfs/dbraw/zinc/66/73/01/563667301.db2.gz JOJKDUCFQGZOHK-KRWDZBQOSA-N 0 0 323.396 3.843 50 0 DHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Oc1ccccc1 ZINC000000547172 563669526 /nfs/dbraw/zinc/66/95/26/563669526.db2.gz SIHLDKUDKYHNRL-UHFFFAOYSA-N 0 0 324.336 3.874 50 0 DHAARN CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 ZINC000000550055 563669825 /nfs/dbraw/zinc/66/98/25/563669825.db2.gz JRXLQXBXUQNXDW-HXUWFJFHSA-N 0 0 317.392 3.876 50 0 DHAARN C[C@@H]1CCC[C@@H](Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)[C@H]1C ZINC000103765154 563670196 /nfs/dbraw/zinc/67/01/96/563670196.db2.gz DEZRHHGFDGWKGE-UHIISALHSA-N 0 0 317.816 3.840 50 0 DHAARN Cc1cccc(C(=O)OCc2nc(-c3cccc(F)c3)no2)c1 ZINC000051315134 563674918 /nfs/dbraw/zinc/67/49/18/563674918.db2.gz VRCDMIDYRWQQKK-UHFFFAOYSA-N 0 0 312.300 3.541 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)N(C)Cc2csc3ccccc23)c1 ZINC000046920240 563678034 /nfs/dbraw/zinc/67/80/34/563678034.db2.gz HQJVKNJTKPQXCL-UHFFFAOYSA-N 0 0 312.394 3.704 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2nc3c(cccc3C)s2)s1 ZINC000036649553 563679073 /nfs/dbraw/zinc/67/90/73/563679073.db2.gz WICCNSBNIIQWEV-UHFFFAOYSA-N 0 0 303.412 3.930 50 0 DHAARN COc1ccc(C)c(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 ZINC000044837669 563684680 /nfs/dbraw/zinc/68/46/80/563684680.db2.gz PSVMKNQMBIFTBH-UHFFFAOYSA-N 0 0 321.380 3.954 50 0 DHAARN COc1ccc(CNC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000044845517 563685762 /nfs/dbraw/zinc/68/57/62/563685762.db2.gz OTVSNJNZWVTZND-UHFFFAOYSA-N 0 0 320.776 3.679 50 0 DHAARN C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccccn1 ZINC000044892317 563686123 /nfs/dbraw/zinc/68/61/23/563686123.db2.gz JOGWAPPOUGUULJ-TZMCWYRMSA-N 0 0 301.415 3.751 50 0 DHAARN CN(Cc1cccs1)C(=O)NCc1nc2ccccc2s1 ZINC000044892624 563686189 /nfs/dbraw/zinc/68/61/89/563686189.db2.gz IOSYOVGQPVOUEZ-UHFFFAOYSA-N 0 0 317.439 3.699 50 0 DHAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)C)n2)cn1 ZINC000044902254 563686195 /nfs/dbraw/zinc/68/61/95/563686195.db2.gz WQQXGVWLNPCPRB-UHFFFAOYSA-N 0 0 322.368 3.702 50 0 DHAARN c1cc([C@H]2CCCN2Cc2nc(-c3ccccn3)no2)cs1 ZINC000044975349 563687120 /nfs/dbraw/zinc/68/71/20/563687120.db2.gz YNLUMEFBOWDDEM-CQSZACIVSA-N 0 0 312.398 3.530 50 0 DHAARN Cc1ncc(CN(C)[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 ZINC000044972271 563687707 /nfs/dbraw/zinc/68/77/07/563687707.db2.gz DNBQFVNEKUNQQX-NSHDSACASA-N 0 0 313.426 3.636 50 0 DHAARN O=C(c1ccoc1)N(Cc1cccc(Br)c1)C1CC1 ZINC000045197060 563688651 /nfs/dbraw/zinc/68/86/51/563688651.db2.gz QIGXINXSUQOLRL-UHFFFAOYSA-N 0 0 320.186 3.847 50 0 DHAARN O=C(NC(C1CC1)C1CC1)N1CCCCC[C@@H]1c1ccncc1 ZINC000045438269 563689525 /nfs/dbraw/zinc/68/95/25/563689525.db2.gz ORQYZEVPNMCXAT-QGZVFWFLSA-N 0 0 313.445 3.897 50 0 DHAARN COC(=O)c1ccc(NC(=O)Nc2cccc(F)c2C)cc1 ZINC000051354520 563691330 /nfs/dbraw/zinc/69/13/30/563691330.db2.gz XVLYNLJCDPSCHK-UHFFFAOYSA-N 0 0 302.305 3.565 50 0 DHAARN CCSc1ccccc1NC(=O)NCCc1ccccn1 ZINC000047856210 563692483 /nfs/dbraw/zinc/69/24/83/563692483.db2.gz JWXDDZWAMZGSSE-UHFFFAOYSA-N 0 0 301.415 3.558 50 0 DHAARN COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000047710663 563692889 /nfs/dbraw/zinc/69/28/89/563692889.db2.gz LGTMOUFWAAKDJD-LBPRGKRZSA-N 0 0 313.357 3.748 50 0 DHAARN Cc1cc(CNC(=O)Nc2ccccc2-n2cccn2)ccc1F ZINC000048152172 563693529 /nfs/dbraw/zinc/69/35/29/563693529.db2.gz YFDPDZLYWBLNII-UHFFFAOYSA-N 0 0 324.359 3.642 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)C1CCC1 ZINC000048263817 563693987 /nfs/dbraw/zinc/69/39/87/563693987.db2.gz HKMWAMSBDSFANF-GOSISDBHSA-N 0 0 305.381 3.569 50 0 DHAARN C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000048253716 563694979 /nfs/dbraw/zinc/69/49/79/563694979.db2.gz CAOGGRJYXQDYGS-IUODEOHRSA-N 0 0 316.426 3.747 50 0 DHAARN COc1cc(CNC(=O)C2CCCC2)ccc1OC1CCCC1 ZINC000048281382 563695057 /nfs/dbraw/zinc/69/50/57/563695057.db2.gz ALYBAVVQKDZPCS-UHFFFAOYSA-N 0 0 317.429 3.823 50 0 DHAARN O=C(NCc1nc2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000048311249 563695786 /nfs/dbraw/zinc/69/57/86/563695786.db2.gz AFZGTVSRONBQIG-UHFFFAOYSA-N 0 0 320.179 3.800 50 0 DHAARN O=C(C[C@H]1C=CCC1)NCc1cccnc1OCc1ccccc1 ZINC000048326292 563696258 /nfs/dbraw/zinc/69/62/58/563696258.db2.gz OJXZHHLRFKRWIA-INIZCTEOSA-N 0 0 322.408 3.633 50 0 DHAARN CCOc1ccc(C(=O)CCC(=O)N[C@H](C)[C@H](C)CC)cc1 ZINC000048324601 563696495 /nfs/dbraw/zinc/69/64/95/563696495.db2.gz YPPKPIZURXQWGF-ZIAGYGMSSA-N 0 0 305.418 3.599 50 0 DHAARN CCCc1noc([C@H](C)Sc2n[nH]c(-c3ccccc3)n2)n1 ZINC000048325776 563696530 /nfs/dbraw/zinc/69/65/30/563696530.db2.gz ZOVQXSIIVQLHCG-JTQLQIEISA-N 0 0 315.402 3.661 50 0 DHAARN CC(C)OCc1cccc(CNC(=O)c2ccccc2F)c1 ZINC000048331544 563696576 /nfs/dbraw/zinc/69/65/76/563696576.db2.gz CBQLCOSZSAMENB-UHFFFAOYSA-N 0 0 301.361 3.681 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)c2ccsc2)cc1OC ZINC000048343237 563697024 /nfs/dbraw/zinc/69/70/24/563697024.db2.gz DVZRPLCQZCSHTO-CQSZACIVSA-N 0 0 317.410 3.743 50 0 DHAARN CC(=O)Nc1ccc(OC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000048344049 563697188 /nfs/dbraw/zinc/69/71/88/563697188.db2.gz WQHBYFFQFQNYMD-UHFFFAOYSA-N 0 0 320.348 3.655 50 0 DHAARN COC1CCN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000048374709 563697887 /nfs/dbraw/zinc/69/78/87/563697887.db2.gz YTJJOCAUTQXESB-NSHDSACASA-N 0 0 321.808 3.562 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1 ZINC000048393655 563698132 /nfs/dbraw/zinc/69/81/32/563698132.db2.gz UUFWSOIDURMGQZ-UHFFFAOYSA-N 0 0 323.396 3.625 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)N1CCc2ccccc2C1 ZINC000000611773 563699332 /nfs/dbraw/zinc/69/93/32/563699332.db2.gz DZIAGMBGGAMYAS-UHFFFAOYSA-N 0 0 316.788 3.939 50 0 DHAARN Cc1nccn1-c1ccc(C[NH2+]Cc2ccccc2Cl)cn1 ZINC000048782241 563699881 /nfs/dbraw/zinc/69/98/81/563699881.db2.gz XBWBAKOMFZVRBD-UHFFFAOYSA-N 0 0 312.804 3.519 50 0 DHAARN CC(C)OCc1cccc(CNC(=O)c2c(F)cccc2F)c1 ZINC000049155172 563700696 /nfs/dbraw/zinc/70/06/96/563700696.db2.gz PBWNSDYWZWVWNE-UHFFFAOYSA-N 0 0 319.351 3.820 50 0 DHAARN O=C(NCC1(c2cccs2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000049521043 563701648 /nfs/dbraw/zinc/70/16/48/563701648.db2.gz PNRRZOFCGHPIJX-UHFFFAOYSA-N 0 0 315.413 3.767 50 0 DHAARN Cc1ccc(C[NH+]2CC(c3nc(-c4cccs4)no3)C2)s1 ZINC000049484419 563701747 /nfs/dbraw/zinc/70/17/47/563701747.db2.gz GFDSDIQKGOVBEH-UHFFFAOYSA-N 0 0 317.439 3.767 50 0 DHAARN CCCCc1nc(-n2cccc2)sc1C(=O)N1CCCC1 ZINC000049545553 563701814 /nfs/dbraw/zinc/70/18/14/563701814.db2.gz RUUHLOHXUBKOLN-UHFFFAOYSA-N 0 0 303.431 3.512 50 0 DHAARN CCOc1ccc2c(cc(C(=O)Nc3cccc(F)c3)n2C)c1 ZINC000049728959 563702188 /nfs/dbraw/zinc/70/21/88/563702188.db2.gz RESHVPWTEHFHHY-UHFFFAOYSA-N 0 0 312.344 3.968 50 0 DHAARN Fc1ccc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 ZINC000049597266 563702272 /nfs/dbraw/zinc/70/22/72/563702272.db2.gz DCJCFOVUOYVMLT-UHFFFAOYSA-N 0 0 318.355 3.923 50 0 DHAARN CC(=O)Nc1cc(C(=O)N(C2CC2)C2CCCCC2)ccc1C ZINC000049656118 563702293 /nfs/dbraw/zinc/70/22/93/563702293.db2.gz UNFOCCAKXGDDIH-UHFFFAOYSA-N 0 0 314.429 3.891 50 0 DHAARN c1ccc(N2CCCC2)c(CNc2cnc3ccccc3n2)c1 ZINC000049979849 563702371 /nfs/dbraw/zinc/70/23/71/563702371.db2.gz YVMFAWIHYUDRSC-UHFFFAOYSA-N 0 0 304.397 3.842 50 0 DHAARN Cc1ccccc1-c1noc(COc2nncc3ccccc32)n1 ZINC000049873977 563702395 /nfs/dbraw/zinc/70/23/95/563702395.db2.gz PGZRPJOPCBUDMC-UHFFFAOYSA-N 0 0 318.336 3.567 50 0 DHAARN COc1nc(C(=O)Nc2cc(Cl)ccn2)cc2ccccc21 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CC[C@@H](NC(=O)c1ccc(C)n1C(F)F)c1cc(C)ccn1 ZINC000299758118 563804990 /nfs/dbraw/zinc/80/49/90/563804990.db2.gz CKUCFXPYUGJIHZ-GFCCVEGCSA-N 0 0 307.344 3.776 50 0 DHAARN Cc1cnn(Cc2cccc(C)c2)c1NC(=O)N1CC=C(C)CC1 ZINC000299765382 563805179 /nfs/dbraw/zinc/80/51/79/563805179.db2.gz GCIHSZKBJDWCFD-UHFFFAOYSA-N 0 0 324.428 3.732 50 0 DHAARN COCC1(NC(=O)c2ccc(-c3ncccc3C)cc2)CCCC1 ZINC000299763014 563805200 /nfs/dbraw/zinc/80/52/00/563805200.db2.gz OEQKXHXXEGAHTR-UHFFFAOYSA-N 0 0 324.424 3.746 50 0 DHAARN Cc1c(C(=O)N2CC[C@H](c3ccccc3Cl)C2)ccn1C ZINC000299783743 563805789 /nfs/dbraw/zinc/80/57/89/563805789.db2.gz XZZXNELQRGHVPU-ZDUSSCGKSA-N 0 0 302.805 3.617 50 0 DHAARN Cc1cc2cccc(NC(=O)N3CCC[C@@H]3Cn3cccn3)c2o1 ZINC000299780432 563805826 /nfs/dbraw/zinc/80/58/26/563805826.db2.gz QBRROUBLKZYHTE-OAHLLOKOSA-N 0 0 324.384 3.634 50 0 DHAARN CCCN(CC1CC1)C(=O)c1cccc(-c2c(C)n[nH]c2C)c1 ZINC000299768654 563805943 /nfs/dbraw/zinc/80/59/43/563805943.db2.gz LTUUNRLLYGOVKF-UHFFFAOYSA-N 0 0 311.429 3.956 50 0 DHAARN CC(C)c1nnc([C@H](C)NC(=O)c2csc3c2CCCC3)o1 ZINC000299785137 563806220 /nfs/dbraw/zinc/80/62/20/563806220.db2.gz QNFBFSKDFJZXGH-JTQLQIEISA-N 0 0 319.430 3.624 50 0 DHAARN CCc1nc(C)sc1C(=O)N1CCCC[C@H]1c1cc(C)on1 ZINC000299790596 563806308 /nfs/dbraw/zinc/80/63/08/563806308.db2.gz BNDSSSMIRLLXTB-AWEZNQCLSA-N 0 0 319.430 3.678 50 0 DHAARN COc1ccc(C(=O)N[C@@H](CC(C)C)c2cccnc2)c(C)c1 ZINC000299796729 563806356 /nfs/dbraw/zinc/80/63/56/563806356.db2.gz RVIOHMATKDOODZ-SFHVURJKSA-N 0 0 312.413 3.916 50 0 DHAARN Cc1cc2nc(CN(C)C(=O)c3cccn3C3CC3)[nH]c2cc1C ZINC000299801900 563807011 /nfs/dbraw/zinc/80/70/11/563807011.db2.gz YJSLVKXNHVUUGX-UHFFFAOYSA-N 0 0 322.412 3.588 50 0 DHAARN COc1cccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000012621395 563807681 /nfs/dbraw/zinc/80/76/81/563807681.db2.gz RPDCQWQAAWSYTH-ZDUSSCGKSA-N 0 0 309.365 3.861 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588549 563808332 /nfs/dbraw/zinc/80/83/32/563808332.db2.gz VPJGKZZBIYJQPH-CQSZACIVSA-N 0 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315.341 3.594 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)c(C)c2)no1 ZINC000001429815 563823466 /nfs/dbraw/zinc/82/34/66/563823466.db2.gz BUISPYKEDMIXSA-UHFFFAOYSA-N 0 0 311.316 3.745 50 0 DHAARN Cc1ccc(C)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 ZINC000012759309 563824660 /nfs/dbraw/zinc/82/46/60/563824660.db2.gz RBFIAPJTPMAJLH-UHFFFAOYSA-N 0 0 308.385 3.881 50 0 DHAARN COC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccc(C)o1 ZINC000084195179 563824911 /nfs/dbraw/zinc/82/49/11/563824911.db2.gz UQJLSKRVHKUNGC-IUODEOHRSA-N 0 0 320.389 3.546 50 0 DHAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(C)c3)ccc2o1 ZINC000012753338 563825051 /nfs/dbraw/zinc/82/50/51/563825051.db2.gz SADFVDVBDHXCQN-LBPRGKRZSA-N 0 0 309.369 3.884 50 0 DHAARN CC(C)(C)c1cc(NC(=O)c2ccncc2)n(C(C)(C)C)n1 ZINC000084241122 563825505 /nfs/dbraw/zinc/82/55/05/563825505.db2.gz UCDJROMZIAWZGO-UHFFFAOYSA-N 0 0 300.406 3.583 50 0 DHAARN CCN(Cc1ccccn1)C(=O)c1ccccc1OC1CCC1 ZINC000084207033 563825856 /nfs/dbraw/zinc/82/58/56/563825856.db2.gz 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/nfs/dbraw/zinc/82/97/32/563829732.db2.gz KSPSFWLBFAAXQS-UAGQMJEPSA-N 0 0 311.381 3.595 50 0 DHAARN CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C ZINC000084671200 563829791 /nfs/dbraw/zinc/82/97/91/563829791.db2.gz RSEWSAMISPPMLN-DGCLKSJQSA-N 0 0 306.406 3.649 50 0 DHAARN CC(C)Cc1cc(C(=O)N(C2CC2)C2CCC(C)CC2)[nH]n1 ZINC000084689302 563829951 /nfs/dbraw/zinc/82/99/51/563829951.db2.gz RZRNEVDLCODUGZ-UHFFFAOYSA-N 0 0 303.450 3.792 50 0 DHAARN CCN(C)c1ccccc1NC(=O)N(CC)Cc1ccccn1 ZINC000084760943 563830428 /nfs/dbraw/zinc/83/04/28/563830428.db2.gz KIUKFSKKSUIVNG-UHFFFAOYSA-N 0 0 312.417 3.592 50 0 DHAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2o1 ZINC000012782737 563830528 /nfs/dbraw/zinc/83/05/28/563830528.db2.gz LQMXLMDNNZMOLI-UHFFFAOYSA-N 0 0 322.773 3.590 50 0 DHAARN CCN(CC)C(=O)N[C@@H](C)c1ccc(-n2nc(C)cc2C)cc1 ZINC000084770943 563830531 /nfs/dbraw/zinc/83/05/31/563830531.db2.gz ZEMVHLYFSWUICA-HNNXBMFYSA-N 0 0 314.433 3.602 50 0 DHAARN CC[C@H](NC(=O)NC1(C)CCC(C)CC1)c1c(C)nn(C)c1C ZINC000074098798 563830880 /nfs/dbraw/zinc/83/08/80/563830880.db2.gz CBYQUYAWMKDVQL-KVIBHRHWSA-N 0 0 320.481 3.756 50 0 DHAARN C[C@@H](NC(=O)CN(C)Cc1ccccc1Cl)c1cccs1 ZINC000012785414 563831466 /nfs/dbraw/zinc/83/14/66/563831466.db2.gz JBVUKXRCGOHVFU-GFCCVEGCSA-N 0 0 322.861 3.711 50 0 DHAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(F)cc2)S1 ZINC000085412347 563835935 /nfs/dbraw/zinc/83/59/35/563835935.db2.gz OLQBUUDSNBYWNX-ZDUSSCGKSA-N 0 0 305.378 3.783 50 0 DHAARN CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(Cl)cc1 ZINC000012000643 563836336 /nfs/dbraw/zinc/83/63/36/563836336.db2.gz NRAWSVNUVNPUHE-ZDUSSCGKSA-N 0 0 321.833 3.948 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1 ZINC000012382815 563837334 /nfs/dbraw/zinc/83/73/34/563837334.db2.gz RBJQWSOYUMVIEJ-UHFFFAOYSA-N 0 0 312.369 3.685 50 0 DHAARN Cc1ccc([C@H](C)[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)s1 ZINC000053213124 563837956 /nfs/dbraw/zinc/83/79/56/563837956.db2.gz XTJDTUDGBTYUCK-JTQLQIEISA-N 0 0 319.455 3.548 50 0 DHAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NC(C)C ZINC000085471080 563838060 /nfs/dbraw/zinc/83/80/60/563838060.db2.gz MPUPXUYBYPJPTG-UHFFFAOYSA-N 0 0 323.849 3.980 50 0 DHAARN COCCN(Cc1ccoc1)C(=O)c1cccc2ccccc21 ZINC000085474274 563838216 /nfs/dbraw/zinc/83/82/16/563838216.db2.gz DNAUNCVPRYGWFC-UHFFFAOYSA-N 0 0 309.365 3.722 50 0 DHAARN CC(C)OCc1cccc(CNC(=O)Cc2ccccc2F)c1 ZINC000049154260 563842520 /nfs/dbraw/zinc/84/25/20/563842520.db2.gz HPWFSDSPBKQKIV-UHFFFAOYSA-N 0 0 315.388 3.610 50 0 DHAARN COc1cc(OC)c(NC(=O)c2ccccc2F)cc1Cl ZINC000000363209 563842673 /nfs/dbraw/zinc/84/26/73/563842673.db2.gz NAXFPDGMQYPBDX-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN Cc1cc(C)cc(C(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000012870943 563848923 /nfs/dbraw/zinc/84/89/23/563848923.db2.gz VYMZDQAQBZHAQF-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000012878970 563850753 /nfs/dbraw/zinc/85/07/53/563850753.db2.gz HFAHXYGPWNEARM-YVEFUNNKSA-N 0 0 315.800 3.911 50 0 DHAARN C[C@@H]1CCc2c(sc3ncnc(NCC[C@H]4CCCO4)c32)C1 ZINC000012878108 563850763 /nfs/dbraw/zinc/85/07/63/563850763.db2.gz UMCCFAUDHUYWTE-VXGBXAGGSA-N 0 0 317.458 3.797 50 0 DHAARN CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000012888337 563852843 /nfs/dbraw/zinc/85/28/43/563852843.db2.gz MOJAWDXPYMURMS-UHFFFAOYSA-N 0 0 302.399 3.671 50 0 DHAARN CC(C)CC[C@H](C)NC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000012905226 563853345 /nfs/dbraw/zinc/85/33/45/563853345.db2.gz CKQQNNFPZAMPKG-ZDUSSCGKSA-N 0 0 302.422 3.567 50 0 DHAARN CC(C)CC[C@@H](C)NC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000012905221 563853435 /nfs/dbraw/zinc/85/34/35/563853435.db2.gz CKQQNNFPZAMPKG-CYBMUJFWSA-N 0 0 302.422 3.567 50 0 DHAARN COc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1OC ZINC000012918332 563853836 /nfs/dbraw/zinc/85/38/36/563853836.db2.gz SKJGODZDCVGFRF-UHFFFAOYSA-N 0 0 315.413 3.715 50 0 DHAARN CC(C)c1ccc(CN(c2ncnc3c2cnn3C)C2CC2)cc1 ZINC000012911812 563853993 /nfs/dbraw/zinc/85/39/93/563853993.db2.gz QCFQZABGAVYSGX-UHFFFAOYSA-N 0 0 321.428 3.656 50 0 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DHAARN O=C(Cc1ccon1)Nc1ccccc1N1CCc2ccccc21 ZINC000075144389 563860905 /nfs/dbraw/zinc/86/09/05/563860905.db2.gz RTRZQQYTXVFFPI-UHFFFAOYSA-N 0 0 319.364 3.550 50 0 DHAARN Cc1ccc(N2Cc3ccccc3O[C@H](C)C2=O)cc1Cl ZINC000075165475 563861155 /nfs/dbraw/zinc/86/11/55/563861155.db2.gz YGUHVRBVYXRRPC-GFCCVEGCSA-N 0 0 301.773 3.963 50 0 DHAARN CN(C)c1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000075157113 563861210 /nfs/dbraw/zinc/86/12/10/563861210.db2.gz PLFKNDGGIKWJSQ-UHFFFAOYSA-N 0 0 314.454 3.834 50 0 DHAARN O=C(c1cccc(Cl)c1)N(CC(F)(F)F)C1CCOCC1 ZINC000075166612 563861281 /nfs/dbraw/zinc/86/12/81/563861281.db2.gz BNALEVJNBGDASD-UHFFFAOYSA-N 0 0 321.726 3.524 50 0 DHAARN O=CN1CCC2(CC1)Oc1ccccc1Sc1ccccc12 ZINC000075270830 563862173 /nfs/dbraw/zinc/86/21/73/563862173.db2.gz SJQNPOICBPPBBK-UHFFFAOYSA-N 0 0 311.406 3.678 50 0 DHAARN Fc1ccc(NCc2nnsc2Cl)c(OC(F)F)c1 ZINC000089116875 563863135 /nfs/dbraw/zinc/86/31/35/563863135.db2.gz ANSSCOGPEFMLKC-UHFFFAOYSA-N 0 0 309.700 3.544 50 0 DHAARN Clc1ccc([C@@H](NCc2noc(C3CC3)n2)C2CC2)cc1 ZINC000053606989 563864223 /nfs/dbraw/zinc/86/42/23/563864223.db2.gz OLJFCGFFVTURFJ-HNNXBMFYSA-N 0 0 303.793 3.841 50 0 DHAARN C[C@@H](c1ccc(OC(F)F)cc1)S(=O)(=O)C1CCCC1 ZINC000063861227 563864831 /nfs/dbraw/zinc/86/48/31/563864831.db2.gz JCQPTXJQLQPSOH-JTQLQIEISA-N 0 0 304.358 3.706 50 0 DHAARN Cc1oncc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000575604704 563864846 /nfs/dbraw/zinc/86/48/46/563864846.db2.gz DLNUKOXIPSAFGM-UHFFFAOYSA-N 0 0 300.145 3.612 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccco2)o1 ZINC000575607745 563865280 /nfs/dbraw/zinc/86/52/80/563865280.db2.gz CAEORVPDQSTLJN-ZDUSSCGKSA-N 0 0 311.337 3.623 50 0 DHAARN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000117621436 563865349 /nfs/dbraw/zinc/86/53/49/563865349.db2.gz KHKRZNXLEBOTPC-KPZWWZAWSA-N 0 0 320.348 3.845 50 0 DHAARN O=C(NCc1ccc(-c2ccco2)o1)NCc1cccs1 ZINC000575609809 563865555 /nfs/dbraw/zinc/86/55/55/563865555.db2.gz HPYDBNKPBTVELY-UHFFFAOYSA-N 0 0 302.355 3.601 50 0 DHAARN Cc1nnc(SCc2csc(-c3cccc(C)c3)n2)n1C ZINC000006234448 563866726 /nfs/dbraw/zinc/86/67/26/563866726.db2.gz UEJVFDCYOBORAF-UHFFFAOYSA-N 0 0 316.455 3.848 50 0 DHAARN CC(C)CC[C@H](c1ccccc1)N(C)C(=O)c1csnn1 ZINC000063872002 563866734 /nfs/dbraw/zinc/86/67/34/563866734.db2.gz RETKJPNJZLJPQW-OAHLLOKOSA-N 0 0 303.431 3.788 50 0 DHAARN Cc1ccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)cc1 ZINC000035477018 563867604 /nfs/dbraw/zinc/86/76/04/563867604.db2.gz IMPKNLFMEJPGKO-UHFFFAOYSA-N 0 0 321.380 3.500 50 0 DHAARN C[NH+](C)[C@@H](CNC(=O)c1ccsc1)c1cc2ccccc2o1 ZINC000575621581 563868247 /nfs/dbraw/zinc/86/82/47/563868247.db2.gz PSJZTLCZVZIVSL-AWEZNQCLSA-N 0 0 314.410 3.527 50 0 DHAARN Clc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)n[nH]2)cc1 ZINC000035504143 563871197 /nfs/dbraw/zinc/87/11/97/563871197.db2.gz PRSSHSMYJPNZKC-UHFFFAOYSA-N 0 0 323.743 3.842 50 0 DHAARN COc1ccc(NC(C)=O)cc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000121998660 563871356 /nfs/dbraw/zinc/87/13/56/563871356.db2.gz AXROLBMBGGDVQS-ABAIWWIYSA-N 0 0 314.385 3.982 50 0 DHAARN COc1ccc(NC(C)=O)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000121999349 563871468 /nfs/dbraw/zinc/87/14/68/563871468.db2.gz AXROLBMBGGDVQS-XHDPSFHLSA-N 0 0 314.385 3.982 50 0 DHAARN Brc1ccc(CN[C@@H](c2nccs2)C2CC2)o1 ZINC000191207361 563871517 /nfs/dbraw/zinc/87/15/17/563871517.db2.gz GYRPBINOUIZLPQ-LLVKDONJSA-N 0 0 313.220 3.740 50 0 DHAARN Cc1nc2ccccc2c(NC(=O)c2ccnn2C)c1C(C)C ZINC000191321501 563872791 /nfs/dbraw/zinc/87/27/91/563872791.db2.gz DBEGDWHDVFDZIU-UHFFFAOYSA-N 0 0 308.385 3.652 50 0 DHAARN CCN(C(=O)C[C@@H](C)c1ccc(F)cc1F)c1cccnc1 ZINC000123125483 563872830 /nfs/dbraw/zinc/87/28/30/563872830.db2.gz UDXHQJAOTXSGOS-GFCCVEGCSA-N 0 0 304.340 3.907 50 0 DHAARN COCCN1CCCc2ccc(NC(=O)c3cccc(C)c3)cc21 ZINC000035588057 563873048 /nfs/dbraw/zinc/87/30/48/563873048.db2.gz JVBFXADOHYZFAD-UHFFFAOYSA-N 0 0 324.424 3.646 50 0 DHAARN C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(OC(F)F)cc1 ZINC000032764620 563873325 /nfs/dbraw/zinc/87/33/25/563873325.db2.gz ZHWHVJKXKOVOQE-ANYFNZRUSA-N 0 0 307.296 3.772 50 0 DHAARN Cc1ccc(CN(C)C(=O)c2cnn(-c3ccc(C)cc3)c2C)o1 ZINC000012997831 563873893 /nfs/dbraw/zinc/87/38/93/563873893.db2.gz NMPNBVSUAMYDSY-UHFFFAOYSA-N 0 0 323.396 3.663 50 0 DHAARN O=C(c1ccccc1Br)N1CCOC12CCCCC2 ZINC000035671188 563874152 /nfs/dbraw/zinc/87/41/52/563874152.db2.gz XBWOWXATGQVOBQ-UHFFFAOYSA-N 0 0 324.218 3.582 50 0 DHAARN CCSc1nnc(SCCc2scnc2C)s1 ZINC000073968859 563874418 /nfs/dbraw/zinc/87/44/18/563874418.db2.gz HWEUZNYOZVFXKN-UHFFFAOYSA-N 0 0 303.503 3.750 50 0 DHAARN COc1ccc(C(=O)N(CCc2cccs2)C2CC2)cc1F ZINC000096120307 563875136 /nfs/dbraw/zinc/87/51/36/563875136.db2.gz RVABTPLZISDWLK-UHFFFAOYSA-N 0 0 319.401 3.743 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1C1CCCC1 ZINC000013008739 563875590 /nfs/dbraw/zinc/87/55/90/563875590.db2.gz VEXNCTORIXIXLX-UHFFFAOYSA-N 0 0 308.385 3.661 50 0 DHAARN CCc1cc(C(=O)Nc2ccc(OC)cc2OC)sc1C ZINC000013009684 563875592 /nfs/dbraw/zinc/87/55/92/563875592.db2.gz MBSWKSXXVHCSIH-UHFFFAOYSA-N 0 0 305.399 3.888 50 0 DHAARN CC1(C)Cc2cccc(Oc3ncncc3Br)c2O1 ZINC000090782736 563875734 /nfs/dbraw/zinc/87/57/34/563875734.db2.gz BTOQIZLRRQBWSS-UHFFFAOYSA-N 0 0 321.174 3.745 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1 ZINC000013012003 563876148 /nfs/dbraw/zinc/87/61/48/563876148.db2.gz MXONDFZJWBZIOG-UHFFFAOYSA-N 0 0 316.382 3.552 50 0 DHAARN CCn1c(C)nnc1CSCc1ccc(F)c2cccnc12 ZINC000091028424 563877209 /nfs/dbraw/zinc/87/72/09/563877209.db2.gz IDRXYUPJDCEUIC-UHFFFAOYSA-N 0 0 316.405 3.727 50 0 DHAARN Cc1ccc(CNC(=O)CCc2conc2-c2ccccc2)cc1 ZINC000075510107 563878331 /nfs/dbraw/zinc/87/83/31/563878331.db2.gz HWLDVQCBMKSPAT-UHFFFAOYSA-N 0 0 320.392 3.899 50 0 DHAARN CC(=O)C(C(C)=O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000378243 563878807 /nfs/dbraw/zinc/87/88/07/563878807.db2.gz GSMAHVKFQMHTGN-UHFFFAOYSA-N 0 0 302.320 3.891 50 0 DHAARN CC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@@H]2[C@H]1c1ccco1 ZINC000239073260 563879477 /nfs/dbraw/zinc/87/94/77/563879477.db2.gz GUESWBIUECWPCJ-OAUYIBNBSA-N 0 0 301.317 3.604 50 0 DHAARN O=C([C@@H]1Cc2ccccc2S1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000241795473 563880846 /nfs/dbraw/zinc/88/08/46/563880846.db2.gz RZLYCJDLTRLGTB-KMFMINBZSA-N 0 0 301.455 3.742 50 0 DHAARN CCc1ccc(CNc2cccc(NC(=O)OCCOC)c2)o1 ZINC000089286788 563883336 /nfs/dbraw/zinc/88/33/36/563883336.db2.gz JWDKYLZPNMMLFS-UHFFFAOYSA-N 0 0 318.373 3.649 50 0 DHAARN CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000252457487 563885308 /nfs/dbraw/zinc/88/53/08/563885308.db2.gz MUJJADYIRLRGLT-UHFFFAOYSA-N 0 0 324.262 3.845 50 0 DHAARN c1ccc([C@@H]2CC(N=Nc3cnccn3)c3ccccc3O2)cc1 ZINC000252474442 563885621 /nfs/dbraw/zinc/88/56/21/563885621.db2.gz DUAAETOAPVURDA-SFHVURJKSA-N 0 0 316.364 3.817 50 0 DHAARN C=Cc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)cc1 ZINC000192214478 563885762 /nfs/dbraw/zinc/88/57/62/563885762.db2.gz WNBUWJAEASUXJS-AWEZNQCLSA-N 0 0 316.451 3.716 50 0 DHAARN CC(C)c1nnc(SCCOc2ccccc2)n1C1CC1 ZINC000054146931 563886144 /nfs/dbraw/zinc/88/61/44/563886144.db2.gz PMCNPYWRUXLFQV-UHFFFAOYSA-N 0 0 303.431 3.908 50 0 DHAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(F)cc1 ZINC000000382681 563886525 /nfs/dbraw/zinc/88/65/25/563886525.db2.gz YZBOYPNKQVGPHZ-UHFFFAOYSA-N 0 0 320.323 3.578 50 0 DHAARN COc1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000000180699 563886846 /nfs/dbraw/zinc/88/68/46/563886846.db2.gz RABIQKHZRFLLCK-UHFFFAOYSA-N 0 0 322.360 3.869 50 0 biogenic DHAARN CCc1cc(=O)oc2cc(OC(=O)c3ccc(OC)cc3)ccc12 ZINC000000488473 563887468 /nfs/dbraw/zinc/88/74/68/563887468.db2.gz LNHCTAUXQBVPHH-UHFFFAOYSA-N 0 0 324.332 3.583 50 0 biogenic DHAARN Cc1ccc2c(c1)[C@H](N[C@H](C)c1nnc3ccccn31)CCCO2 ZINC000089511348 563888723 /nfs/dbraw/zinc/88/87/23/563888723.db2.gz XCECHDUKHFCYOY-GDBMZVCRSA-N 0 0 322.412 3.602 50 0 DHAARN Cc1cc(C)c(OS(=O)(=O)CCc2ccccc2)c(C)c1 ZINC000002027148 563890487 /nfs/dbraw/zinc/89/04/87/563890487.db2.gz HDMVMHGVZBIDHZ-UHFFFAOYSA-N 0 0 304.411 3.563 50 0 DHAARN CCCCOc1ccc(C(=O)Nc2nnc(CC)s2)cc1 ZINC000002030193 563890600 /nfs/dbraw/zinc/89/06/00/563890600.db2.gz OJRBDQVAOWPDAL-UHFFFAOYSA-N 0 0 305.403 3.532 50 0 DHAARN Cc1cc([C@H](C)NC(=O)N(C)Cc2cc(Cl)cn2C)c(C)o1 ZINC000089580415 563891147 /nfs/dbraw/zinc/89/11/47/563891147.db2.gz REDQZIBHGZESQD-NSHDSACASA-N 0 0 323.824 3.791 50 0 DHAARN CC(C)CC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000054314307 563891198 /nfs/dbraw/zinc/89/11/98/563891198.db2.gz KLYDKFACLIUAMX-UHFFFAOYSA-N 0 0 309.837 3.551 50 0 DHAARN CCCNc1nc(CC)nc2c1cnn2-c1ccccc1Cl ZINC000035990144 563891892 /nfs/dbraw/zinc/89/18/92/563891892.db2.gz HARTWEIHJUESNH-UHFFFAOYSA-N 0 0 315.808 3.853 50 0 DHAARN O=C(c1ccccc1F)N1CC(OCc2ccc(Cl)cc2)C1 ZINC000064665839 563892090 /nfs/dbraw/zinc/89/20/90/563892090.db2.gz MRXLUEAXEGOZGU-UHFFFAOYSA-N 0 0 319.763 3.520 50 0 DHAARN C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)C[C@H](C)O1 ZINC000036022440 563892149 /nfs/dbraw/zinc/89/21/49/563892149.db2.gz LKWNBNQTKONFGF-STQMWFEESA-N 0 0 301.411 3.665 50 0 DHAARN C[C@@H](OCC1CC1)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000064722872 563892391 /nfs/dbraw/zinc/89/23/91/563892391.db2.gz FRPPUBLBCLUQGC-OAHLLOKOSA-N 0 0 316.445 3.821 50 0 DHAARN O=C(c1csc(COc2cccc(Cl)c2)n1)N1CCCC1 ZINC000036084365 563892941 /nfs/dbraw/zinc/89/29/41/563892941.db2.gz JKDXRYGQAIGVPG-UHFFFAOYSA-N 0 0 322.817 3.612 50 0 DHAARN CC[C@H](C)NC(=O)c1csc(COc2ccccc2Cl)n1 ZINC000036084012 563893170 /nfs/dbraw/zinc/89/31/70/563893170.db2.gz FQEPTQJPYVGASG-JTQLQIEISA-N 0 0 324.833 3.904 50 0 DHAARN Cc1cc(F)ccc1NC(=O)c1cc(C(C)C)n2nccc2n1 ZINC000064760778 563893476 /nfs/dbraw/zinc/89/34/76/563893476.db2.gz VFOCXBLWJGLRNL-UHFFFAOYSA-N 0 0 312.348 3.553 50 0 DHAARN Cc1ccc(NC(=O)c2cc(C(C)(C)C)n3nccc3n2)cc1 ZINC000064760840 563893859 /nfs/dbraw/zinc/89/38/59/563893859.db2.gz SHCIJOLMCVTVJX-UHFFFAOYSA-N 0 0 308.385 3.588 50 0 DHAARN CC(=O)N(Cc1csc(COc2cccc(C)c2)n1)C1CC1 ZINC000036106500 563894449 /nfs/dbraw/zinc/89/44/49/563894449.db2.gz ISQKWSYQGULODW-UHFFFAOYSA-N 0 0 316.426 3.541 50 0 DHAARN O=C(Cc1ccc(F)cc1)NCC1(c2ccccc2)CCCC1 ZINC000006745488 563894616 /nfs/dbraw/zinc/89/46/16/563894616.db2.gz HSEBANKEPSTHTP-UHFFFAOYSA-N 0 0 311.400 3.996 50 0 DHAARN Cc1ccc(Oc2ccc(NC(=O)c3ccnnc3)cn2)cc1C ZINC000155138107 563894706 /nfs/dbraw/zinc/89/47/06/563894706.db2.gz FSCAUJRYIDRHPE-UHFFFAOYSA-N 0 0 320.352 3.533 50 0 DHAARN CCc1ccc(NC(=O)N2CCN(CC)c3ncccc32)cc1 ZINC000064929402 563894797 /nfs/dbraw/zinc/89/47/97/563894797.db2.gz WFQDEQNEAWQPCL-UHFFFAOYSA-N 0 0 310.401 3.522 50 0 DHAARN O=C(c1ccccc1)N1CCC[C@@H](OCc2ccccc2F)C1 ZINC000036314461 563894974 /nfs/dbraw/zinc/89/49/74/563894974.db2.gz SVHYSFOEQYUAKN-QGZVFWFLSA-N 0 0 313.372 3.647 50 0 DHAARN CCn1nc(C)c(CCN(C)C(=O)Nc2cccc(C)c2)c1C ZINC000064959582 563895007 /nfs/dbraw/zinc/89/50/07/563895007.db2.gz GIODJEUSBOLNIO-UHFFFAOYSA-N 0 0 314.433 3.535 50 0 DHAARN C[C@@H](NC(=O)c1ccc2c(c1)N(C)CCS2)c1ccccc1 ZINC000006802467 563895142 /nfs/dbraw/zinc/89/51/42/563895142.db2.gz YLEXZVNRBVFXLI-CYBMUJFWSA-N 0 0 312.438 3.720 50 0 DHAARN COc1ccccc1NC(=O)c1cccc2c1SCCC2=O ZINC000006841420 563896405 /nfs/dbraw/zinc/89/64/05/563896405.db2.gz BLLHRRLGTCPDEN-UHFFFAOYSA-N 0 0 313.378 3.626 50 0 DHAARN COc1ccccc1NC(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000006842678 563896648 /nfs/dbraw/zinc/89/66/48/563896648.db2.gz WKGVKBPLEBPNDO-ZDUSSCGKSA-N 0 0 312.369 3.823 50 0 DHAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccccn1 ZINC000006848089 563897135 /nfs/dbraw/zinc/89/71/35/563897135.db2.gz SKXWDASDVBORHZ-UHFFFAOYSA-N 0 0 316.404 3.650 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000006872505 563897625 /nfs/dbraw/zinc/89/76/25/563897625.db2.gz NXKZMUWJNKQZHB-CQSZACIVSA-N 0 0 302.349 3.885 50 0 DHAARN COc1ccccc1NC(=O)COc1cccc2ccc(C)nc21 ZINC000006865781 563897647 /nfs/dbraw/zinc/89/76/47/563897647.db2.gz YVSQDHRUQQGOHH-UHFFFAOYSA-N 0 0 322.364 3.569 50 0 DHAARN Cc1cccc(N[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000036394168 563898352 /nfs/dbraw/zinc/89/83/52/563898352.db2.gz SLYYXQPVZUDZFL-HNAYVOBHSA-N 0 0 308.425 3.989 50 0 DHAARN CCc1ccc(Nc2ncnc3c2nc2n3CCCCC2)cc1 ZINC000006899592 563899025 /nfs/dbraw/zinc/89/90/25/563899025.db2.gz XZXSBXXKNRQRPF-UHFFFAOYSA-N 0 0 307.401 3.859 50 0 DHAARN Cc1ccc(C[NH2+]Cc2c3ccc(C)cc3[nH]c2C(=O)[O-])cc1 ZINC000006894426 563899209 /nfs/dbraw/zinc/89/92/09/563899209.db2.gz LYUCVCIMKCEYJM-UHFFFAOYSA-N 0 0 308.381 3.773 50 0 DHAARN CCc1cccc(NC(=O)c2cc(C(C)=O)n3ccccc23)c1 ZINC000006914253 563899431 /nfs/dbraw/zinc/89/94/31/563899431.db2.gz ZUCYMAOSCDCJDH-UHFFFAOYSA-N 0 0 306.365 3.957 50 0 DHAARN FC(F)Oc1ccc(/C=C/c2nnc(-c3ccncc3)o2)cc1 ZINC000006926214 563899620 /nfs/dbraw/zinc/89/96/20/563899620.db2.gz WPNOLYKMUFSQNL-ZZXKWVIFSA-N 0 0 315.279 3.903 50 0 DHAARN O=C(COC(=O)c1cccc(F)c1)Nc1ccc2ccccc2c1 ZINC000006932549 563899729 /nfs/dbraw/zinc/89/97/29/563899729.db2.gz OIAYIWMGZFJDKZ-UHFFFAOYSA-N 0 0 323.323 3.774 50 0 DHAARN Fc1cccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c1 ZINC000065137169 563899769 /nfs/dbraw/zinc/89/97/69/563899769.db2.gz PHUZDNXVOIHOJH-UHFFFAOYSA-N 0 0 306.300 3.933 50 0 DHAARN CCn1cc2c3c1cccc3CN(C(=O)NC1CCCC1)CC2 ZINC000065148994 563899830 /nfs/dbraw/zinc/89/98/30/563899830.db2.gz GBCFZPWWUYWVGH-UHFFFAOYSA-N 0 0 311.429 3.672 50 0 DHAARN Cc1ccc(-c2cc(C(=O)NCc3cccs3)[nH]n2)cc1C ZINC000006943205 563900084 /nfs/dbraw/zinc/90/00/84/563900084.db2.gz DNPZYUJMAQOJRJ-UHFFFAOYSA-N 0 0 311.410 3.685 50 0 DHAARN O=C(Nc1cc(-c2ccsc2)no1)c1cccnc1Cl ZINC000065153218 563900369 /nfs/dbraw/zinc/90/03/69/563900369.db2.gz RFPCIAAEMULKRI-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN CC(C)Oc1ccccc1[C@H](O)c1nnc(-c2ccccc2)o1 ZINC000007003271 563901258 /nfs/dbraw/zinc/90/12/58/563901258.db2.gz YWANYCBBNYRCQB-INIZCTEOSA-N 0 0 310.353 3.606 50 0 DHAARN O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000036620696 563901647 /nfs/dbraw/zinc/90/16/47/563901647.db2.gz QFOHOHKJOKGEFI-MRXNPFEDSA-N 0 0 321.829 3.866 50 0 DHAARN O=c1c2ccsc2ncn1Cc1ccccc1C(F)(F)F ZINC000007976361 563902117 /nfs/dbraw/zinc/90/21/17/563902117.db2.gz WUGDXGMQLQTOTD-UHFFFAOYSA-N 0 0 310.300 3.525 50 0 DHAARN O=C1CCCN1c1cccc(OCc2cc(-c3ccco3)on2)c1 ZINC000007064801 563902290 /nfs/dbraw/zinc/90/22/90/563902290.db2.gz QEWKZLFSPNBFDJ-UHFFFAOYSA-N 0 0 324.336 3.640 50 0 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DHAARN Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)nn1 ZINC000072437489 191166150 /nfs/dbraw/zinc/16/61/50/191166150.db2.gz HNAVDXOURMWMON-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN COc1ccc(-c2ccnc3nc(-c4cccs4)nn32)cc1 ZINC000072451434 191170319 /nfs/dbraw/zinc/17/03/19/191170319.db2.gz KDZAPQIKAXJRPY-UHFFFAOYSA-N 0 0 308.366 3.528 50 0 DHAARN CC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000000132232 180703258 /nfs/dbraw/zinc/70/32/58/180703258.db2.gz RUTVUBFQAAQPFG-WPRPVWTQSA-N 0 0 306.456 3.886 50 0 DHAARN Cc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000132336 180703272 /nfs/dbraw/zinc/70/32/72/180703272.db2.gz KRRHIEDPTCNUPZ-LBPRGKRZSA-N 0 0 324.449 3.940 50 0 DHAARN CNC(=O)c1cccc2cccc(Sc3ccccc3CO)c21 ZINC000000133939 180704058 /nfs/dbraw/zinc/70/40/58/180704058.db2.gz JSNQXCDSFZVWPK-UHFFFAOYSA-N 0 0 323.417 3.843 50 0 DHAARN Cc1cc2nc(C(C)C)cc(NCc3nccn3C(C)C)n2n1 ZINC000072478699 191179306 /nfs/dbraw/zinc/17/93/06/191179306.db2.gz TZLLRVHQXVJTDQ-UHFFFAOYSA-N 0 0 312.421 3.551 50 0 DHAARN COc1ccccc1NC(=O)c1cccc(Br)c1 ZINC000000191934 180721150 /nfs/dbraw/zinc/72/11/50/180721150.db2.gz YFFPYZAYSRBTHW-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN COc1ccc(Cc2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000000203230 180724254 /nfs/dbraw/zinc/72/42/54/180724254.db2.gz QBRLEODNVYEHCA-UHFFFAOYSA-N 0 0 310.353 3.653 50 0 DHAARN Fc1ccc([C@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000000222107 180731179 /nfs/dbraw/zinc/73/11/79/180731179.db2.gz YAFAWIGJHODIJD-HZPDHXFCSA-N 0 0 312.323 3.703 50 0 DHAARN O=C(CSc1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000000224407 180731758 /nfs/dbraw/zinc/73/17/58/180731758.db2.gz UOFITCKVDNQTRF-UHFFFAOYSA-N 0 0 323.820 3.930 50 0 DHAARN Cc1cccn2c(=O)cc(CNc3ccc(C(C)C)cc3)nc12 ZINC000072587532 191198018 /nfs/dbraw/zinc/19/80/18/191198018.db2.gz XCRXQSDCKGHNBD-UHFFFAOYSA-N 0 0 307.397 3.738 50 0 DHAARN Cc1ccc(C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2C)cc1 ZINC000000259397 180740463 /nfs/dbraw/zinc/74/04/63/180740463.db2.gz ZMUVORCGKJLUTQ-CRAIPNDOSA-N 0 0 307.393 3.672 50 0 DHAARN Cc1cc(S(=O)(=O)N2CCCCCC2)c(Cl)cc1Cl ZINC000000263819 180741603 /nfs/dbraw/zinc/74/16/03/180741603.db2.gz DHYKDYBDRRFVTB-UHFFFAOYSA-N 0 0 322.257 3.867 50 0 DHAARN O=C(c1ccccc1Oc1ccccc1)n1nnc2ccccc21 ZINC000000263482 180741608 /nfs/dbraw/zinc/74/16/08/180741608.db2.gz DLHXEQBOGZXING-UHFFFAOYSA-N 0 0 315.332 3.912 50 0 DHAARN Cc1nc2ccc(NC(=O)NCc3ccccc3)cc2nc1C ZINC000000312761 180756107 /nfs/dbraw/zinc/75/61/07/180756107.db2.gz MQAIPOWSIWZESI-UHFFFAOYSA-N 0 0 306.369 3.568 50 0 DHAARN COC(=O)[C@H](C(=O)Nc1cccc2ccccc21)C1CCCC1 ZINC000000313517 180756798 /nfs/dbraw/zinc/75/67/98/180756798.db2.gz NRCQKCQEYWWJEE-KRWDZBQOSA-N 0 0 311.381 3.758 50 0 DHAARN O=C(CSc1nc2ccccc2o1)N1CCc2ccccc2C1 ZINC000000319319 180758751 /nfs/dbraw/zinc/75/87/51/180758751.db2.gz FKWRHXFSTRJUSC-UHFFFAOYSA-N 0 0 324.405 3.505 50 0 DHAARN CC(C)(C)c1cccc(OCC(=O)Oc2ccc(C=O)cc2)c1 ZINC000000335464 180760950 /nfs/dbraw/zinc/76/09/50/180760950.db2.gz MTWLSQIWIBHKET-UHFFFAOYSA-N 0 0 312.365 3.781 50 0 DHAARN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 ZINC000000382628 180772488 /nfs/dbraw/zinc/77/24/88/180772488.db2.gz ILIRVBRVPBZLFA-CQSZACIVSA-N 0 0 315.438 3.801 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C ZINC000000357200 180765672 /nfs/dbraw/zinc/76/56/72/180765672.db2.gz ZXPRSEABWUIJCK-HNNXBMFYSA-N 0 0 318.417 3.641 50 0 DHAARN COc1ccc(C(=O)Oc2ccc(O)c(C(C)(C)C)c2)cc1 ZINC000000363939 180767504 /nfs/dbraw/zinc/76/75/04/180767504.db2.gz DMUZDFIHQIVBNY-UHFFFAOYSA-N 0 0 300.354 3.918 50 0 DHAARN Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)C(C)C ZINC000000411264 180779606 /nfs/dbraw/zinc/77/96/06/180779606.db2.gz RTTQGTPYOOLWRC-UHFFFAOYSA-N 0 0 302.399 3.903 50 0 DHAARN CC(C)CC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000072846752 191237867 /nfs/dbraw/zinc/23/78/67/191237867.db2.gz WEJZZZANRJIWRZ-JTQLQIEISA-N 0 0 307.781 3.613 50 0 DHAARN CN(C)C(=O)Oc1cccc(-c2cn3cc(Cl)ccc3n2)c1 ZINC000000387375 180774794 /nfs/dbraw/zinc/77/47/94/180774794.db2.gz IEDZSHDNWUKYFJ-UHFFFAOYSA-N 0 0 315.760 3.715 50 0 DHAARN O=C1c2ccccc2C(=O)N1CNc1c(Cl)cccc1Cl ZINC000000396680 180776637 /nfs/dbraw/zinc/77/66/37/180776637.db2.gz VPOMEYHCLVPHIK-UHFFFAOYSA-N 0 0 321.163 3.659 50 0 DHAARN O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)OCCCCN12 ZINC000000398944 180777286 /nfs/dbraw/zinc/77/72/86/180777286.db2.gz SKKAEGGNARDRLN-SFHVURJKSA-N 0 0 313.784 3.807 50 0 DHAARN Cc1cc(OCC(=O)N2CCc3ccccc32)ccc1Cl ZINC000000455462 180796508 /nfs/dbraw/zinc/79/65/08/180796508.db2.gz CZXFSCKXTONOBO-UHFFFAOYSA-N 0 0 301.773 3.617 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1F ZINC000000457013 180796808 /nfs/dbraw/zinc/79/68/08/180796808.db2.gz CZIFALOFZBNOKW-UHFFFAOYSA-N 0 0 322.792 3.535 50 0 DHAARN CCC(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000457069 180796809 /nfs/dbraw/zinc/79/68/09/180796809.db2.gz AWKSLBORKJTTPQ-UHFFFAOYSA-N 0 0 311.621 3.870 50 0 DHAARN O=C(COc1ccc2ccccc2c1)NCc1ccc(F)cc1 ZINC000000442821 180792472 /nfs/dbraw/zinc/79/24/72/180792472.db2.gz WCFBOROVABIWSI-UHFFFAOYSA-N 0 0 309.340 3.674 50 0 DHAARN CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000000444693 180793048 /nfs/dbraw/zinc/79/30/48/180793048.db2.gz UJMLWWPTNHVPQS-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN Brc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000000446019 180793576 /nfs/dbraw/zinc/79/35/76/180793576.db2.gz UOAREXJHZIETOH-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN O=C(Cc1ccccc1)NC1(Cc2ccc(O)cc2)CCCCC1 ZINC000000447864 180794396 /nfs/dbraw/zinc/79/43/96/180794396.db2.gz JBCVTIHKSROBSC-UHFFFAOYSA-N 0 0 323.436 3.997 50 0 DHAARN O=C(NC(=S)Nc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000000450529 180794997 /nfs/dbraw/zinc/79/49/97/180794997.db2.gz IBSLFYBKIQJRCI-UHFFFAOYSA-N 0 0 314.341 3.699 50 0 DHAARN CCOc1cccc(C(=O)NC(=S)Nc2cccc(C)c2)c1 ZINC000000454876 180795783 /nfs/dbraw/zinc/79/57/83/180795783.db2.gz HCAUFUQQPBGKTA-UHFFFAOYSA-N 0 0 314.410 3.521 50 0 DHAARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000000472590 180802106 /nfs/dbraw/zinc/80/21/06/180802106.db2.gz VPFAPJKJKZKCRY-UHFFFAOYSA-N 0 0 316.788 3.731 50 0 DHAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000473946 180802111 /nfs/dbraw/zinc/80/21/11/180802111.db2.gz JZQKYUNYOHUMKJ-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000000480425 180804128 /nfs/dbraw/zinc/80/41/28/180804128.db2.gz BSPSRPSGDCUBFW-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN COc1ccccc1CCNc1ncnc2c3ccccc3[nH]c21 ZINC000000485824 180805097 /nfs/dbraw/zinc/80/50/97/180805097.db2.gz HNODEQFJBFYGGE-UHFFFAOYSA-N 0 0 318.380 3.774 50 0 biogenic DHAARN Cc1ccc(-c2csc(NC(=O)C(F)(F)F)n2)c(C)c1 ZINC000000483630 180805501 /nfs/dbraw/zinc/80/55/01/180805501.db2.gz TXRBQNJSCYNZKI-UHFFFAOYSA-N 0 0 300.305 3.928 50 0 DHAARN CCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1 ZINC000000498606 180808024 /nfs/dbraw/zinc/80/80/24/180808024.db2.gz GMNZZFOHRVUORQ-UHFFFAOYSA-N 0 0 311.341 3.514 50 0 DHAARN CC(=O)c1cccc(NC(=O)CSc2ccc(F)cc2)c1 ZINC000000470596 180801144 /nfs/dbraw/zinc/80/11/44/180801144.db2.gz HJSMERPYICRIGQ-UHFFFAOYSA-N 0 0 303.358 3.759 50 0 DHAARN CC[C@H](c1nc2ccccc2n1C)[C@H](O)c1ccc(OC)cc1 ZINC000000517020 180810877 /nfs/dbraw/zinc/81/08/77/180810877.db2.gz LFPMEGRUEKPWFX-MAUKXSAKSA-N 0 0 310.397 3.809 50 0 DHAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1COc2ccccc2O1 ZINC000000528773 180813929 /nfs/dbraw/zinc/81/39/29/180813929.db2.gz NPERYUIRWARMQJ-AWEZNQCLSA-N 0 0 324.163 3.772 50 0 DHAARN CC(=O)c1ccc(OC(=O)COc2ccccc2Cl)cc1 ZINC000000586834 180826721 /nfs/dbraw/zinc/82/67/21/180826721.db2.gz XCVRUDXXOGYDQR-UHFFFAOYSA-N 0 0 304.729 3.527 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000000559509 180821746 /nfs/dbraw/zinc/82/17/46/180821746.db2.gz NVBIDSVPTJDTRB-AWNIVKPZSA-N 0 0 324.380 3.696 50 0 DHAARN CCOc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000000569607 180823880 /nfs/dbraw/zinc/82/38/80/180823880.db2.gz SCSZBNLYGIWVOS-UHFFFAOYSA-N 0 0 305.761 4.000 50 0 DHAARN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)C1CCC1 ZINC000000615447 180830423 /nfs/dbraw/zinc/83/04/23/180830423.db2.gz PXWGLQLFRZAOAC-UHFFFAOYSA-N 0 0 303.214 3.607 50 0 DHAARN O=C(OCc1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1 ZINC000000619351 180830999 /nfs/dbraw/zinc/83/09/99/180830999.db2.gz VUJPBJQBAOEZQG-CQSZACIVSA-N 0 0 311.164 3.770 50 0 DHAARN Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(F)cc1 ZINC000000794222 180832907 /nfs/dbraw/zinc/83/29/07/180832907.db2.gz GCCHUPCFRNZFBJ-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1CCCO1 ZINC000001055021 180843534 /nfs/dbraw/zinc/84/35/34/180843534.db2.gz QLJCHCVBPNEBCI-CJNGLKHVSA-N 0 0 323.392 3.608 50 0 DHAARN Cc1cccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000001292399 180854135 /nfs/dbraw/zinc/85/41/35/180854135.db2.gz DLWVUHOTJCWYOQ-UHFFFAOYSA-N 0 0 307.349 3.502 50 0 DHAARN O=C1CSC(=O)N1CNc1ccc(Oc2ccccc2)cc1 ZINC000001515281 180871835 /nfs/dbraw/zinc/87/18/35/180871835.db2.gz DDUURPQWBOOWPF-UHFFFAOYSA-N 0 0 314.366 3.544 50 0 DHAARN O=C(CCC(F)(F)F)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000173758525 198248122 /nfs/dbraw/zinc/24/81/22/198248122.db2.gz HFCCEKINPNVJDT-CQSZACIVSA-N 0 0 315.335 3.537 50 0 DHAARN Fc1c(F)c(Br)c(F)c(Br)c1F ZINC000001627115 180880793 /nfs/dbraw/zinc/88/07/93/180880793.db2.gz UCWKDDQEZQRGDR-UHFFFAOYSA-N 0 0 307.866 3.768 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000001738324 180893641 /nfs/dbraw/zinc/89/36/41/180893641.db2.gz NVFZNTUOXHQSPO-UHFFFAOYSA-N 0 0 302.305 3.646 50 0 DHAARN CCOP(=O)(OCC)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002040214 180907544 /nfs/dbraw/zinc/90/75/44/180907544.db2.gz GHGRYKAFUNNHBG-UHFFFAOYSA-N 0 0 312.258 3.661 50 0 DHAARN CC(C)[C@@H](CCNC(=O)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000002150720 180912629 /nfs/dbraw/zinc/91/26/29/180912629.db2.gz VLSUZWJTONYQIG-LSDHHAIUSA-N 0 0 307.434 3.731 50 0 biogenic DHAARN Cc1ccc(OS(=O)(=O)c2cc(C)c(C)cc2C)c(C)c1 ZINC000002182589 180914446 /nfs/dbraw/zinc/91/44/46/180914446.db2.gz WERWKAVESLBABP-UHFFFAOYSA-N 0 0 304.411 3.996 50 0 DHAARN COc1ccc(CNc2ccc(F)cc2F)c(OC)c1OC ZINC000002184728 180914769 /nfs/dbraw/zinc/91/47/69/180914769.db2.gz HMTJOIBONOCBLZ-UHFFFAOYSA-N 0 0 309.312 3.603 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2o1 ZINC000002325113 180919256 /nfs/dbraw/zinc/91/92/56/180919256.db2.gz VHSCCUYHIAWNPT-LBPRGKRZSA-N 0 0 324.405 3.898 50 0 DHAARN Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 ZINC000002447675 180924402 /nfs/dbraw/zinc/92/44/02/180924402.db2.gz JEDYJKSXWWRZRH-UHFFFAOYSA-N 0 0 321.409 3.651 50 0 DHAARN CCc1cnc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)s1 ZINC000174220462 198307231 /nfs/dbraw/zinc/30/72/31/198307231.db2.gz XGVPCNIEIAQRGW-CYBMUJFWSA-N 0 0 305.378 3.654 50 0 DHAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccco1 ZINC000002483581 180926188 /nfs/dbraw/zinc/92/61/88/180926188.db2.gz OYWPGWZWFSSLPM-UHFFFAOYSA-N 0 0 301.323 3.533 50 0 DHAARN CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000002379597 180921603 /nfs/dbraw/zinc/92/16/03/180921603.db2.gz UQMFCYBSUVRGNU-UHFFFAOYSA-N 0 0 320.281 3.901 50 0 DHAARN OCc1cn(-c2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000002544969 180933714 /nfs/dbraw/zinc/93/37/14/180933714.db2.gz KMUMIMSVDJBDKO-UHFFFAOYSA-N 0 0 302.736 3.824 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000002650933 180944134 /nfs/dbraw/zinc/94/41/34/180944134.db2.gz HJRMWTRNRNZYTF-UHFFFAOYSA-N 0 0 309.152 3.843 50 0 DHAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H](C)O)cc1 ZINC000002697301 180947489 /nfs/dbraw/zinc/94/74/89/180947489.db2.gz VWDKXSYZXPNSHS-OAHLLOKOSA-N 0 0 310.397 3.867 50 0 DHAARN COc1ccc(CCNC(=O)c2cccc3ccccc32)cc1 ZINC000002878978 180966591 /nfs/dbraw/zinc/96/65/91/180966591.db2.gz WAQLQGLFCUADPR-UHFFFAOYSA-N 0 0 305.377 3.821 50 0 DHAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)CC(C)C)c1 ZINC000002881390 180967012 /nfs/dbraw/zinc/96/70/12/180967012.db2.gz OHUCZSDMCGXTPL-UHFFFAOYSA-N 0 0 300.358 3.825 50 0 DHAARN COc1cc(C=O)ccc1OCCCCOc1ccccc1F ZINC000002985153 180974298 /nfs/dbraw/zinc/97/42/98/180974298.db2.gz UWGGCGMCTZQFMJ-UHFFFAOYSA-N 0 0 318.344 3.885 50 0 DHAARN Cc1ccc2[nH]c(=O)cc(OC(=O)c3ccc(Cl)cc3)c2c1 ZINC000003136233 180984702 /nfs/dbraw/zinc/98/47/02/180984702.db2.gz ZRTVQXQWOGASRT-UHFFFAOYSA-N 0 0 313.740 3.709 50 0 DHAARN 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181731109 /nfs/dbraw/zinc/73/11/09/181731109.db2.gz BTIQOJRAVIJLRH-GFCCVEGCSA-N 0 0 323.849 3.893 50 0 DHAARN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)n1cccc1 ZINC000012137482 181731132 /nfs/dbraw/zinc/73/11/32/181731132.db2.gz NIFNMEKNHDMAQJ-LJQANCHMSA-N 0 0 304.393 3.588 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000012138370 181731438 /nfs/dbraw/zinc/73/14/38/181731438.db2.gz YCPAEHDDUDLSHH-AWEZNQCLSA-N 0 0 310.397 3.776 50 0 DHAARN COc1ccccc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000096556965 193679056 /nfs/dbraw/zinc/67/90/56/193679056.db2.gz LDOUPGMYJHLDGT-KHPPLWFESA-N 0 0 310.378 3.957 50 0 DHAARN COc1cccc(C(=O)Nc2cc(C)nc3c(OC)cccc23)c1 ZINC000012296742 181746228 /nfs/dbraw/zinc/74/62/28/181746228.db2.gz YLNMRTUTZUCWAH-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 biogenic DHAARN CCOC(=O)c1sc(Nc2ccccc2OCC)nc1C ZINC000012394350 181756657 /nfs/dbraw/zinc/75/66/57/181756657.db2.gz FHICHAZTZXYUNL-UHFFFAOYSA-N 0 0 306.387 3.771 50 0 DHAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2ccsc21 ZINC000012411306 181758802 /nfs/dbraw/zinc/75/88/02/181758802.db2.gz DPEZIVKUYLCPFZ-NSHDSACASA-N 0 0 303.383 3.630 50 0 DHAARN Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)on1 ZINC000012422393 181761346 /nfs/dbraw/zinc/76/13/46/181761346.db2.gz UXWCOLLFHSLGLT-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN C[C@H](NC(=O)c1ccc(Cl)cc1F)c1nc2ccccc2[nH]1 ZINC000012539757 181773405 /nfs/dbraw/zinc/77/34/05/181773405.db2.gz LLJKMZFSGXRZLM-VIFPVBQESA-N 0 0 317.751 3.846 50 0 DHAARN CCCCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000012546572 181775127 /nfs/dbraw/zinc/77/51/27/181775127.db2.gz FECUOHNERUZVQK-UHFFFAOYSA-N 0 0 309.369 3.994 50 0 DHAARN O=C(C[C@@H](c1ccccc1)c1ccccc1F)N1CCCCO1 ZINC000012573949 181777898 /nfs/dbraw/zinc/77/78/98/181777898.db2.gz WMYUYXGRADSHFZ-KRWDZBQOSA-N 0 0 313.372 3.902 50 0 DHAARN CC[C@@H](C)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012770623 181796206 /nfs/dbraw/zinc/79/62/06/181796206.db2.gz IAULLYFFGAYCJM-CYBMUJFWSA-N 0 0 312.417 3.656 50 0 DHAARN Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H](C)c1ccccc1 ZINC000012882983 181806695 /nfs/dbraw/zinc/80/66/95/181806695.db2.gz XZEXLCPOBYAGGN-CYBMUJFWSA-N 0 0 307.390 3.516 50 0 DHAARN Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H](C)c1ccccc1 ZINC000012882990 181807137 /nfs/dbraw/zinc/80/71/37/181807137.db2.gz XZEXLCPOBYAGGN-ZDUSSCGKSA-N 0 0 307.390 3.516 50 0 DHAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)C ZINC000012858836 181804155 /nfs/dbraw/zinc/80/41/55/181804155.db2.gz HEOKXYJBLIJVJD-UHFFFAOYSA-N 0 0 314.332 3.839 50 0 DHAARN Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000012981014 181817967 /nfs/dbraw/zinc/81/79/67/181817967.db2.gz JQYRBGQNDARFCI-LBPRGKRZSA-N 0 0 307.397 3.681 50 0 DHAARN COc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1OC ZINC000012927031 181812562 /nfs/dbraw/zinc/81/25/62/181812562.db2.gz PRQZLVAZKJYCRG-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN CCc1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000012932062 181812752 /nfs/dbraw/zinc/81/27/52/181812752.db2.gz DZAKARZIALYJNU-UHFFFAOYSA-N 0 0 322.408 3.557 50 0 DHAARN COc1ccc(NC(=O)c2cccc3cccnc32)cc1OC ZINC000012938939 181813682 /nfs/dbraw/zinc/81/36/82/181813682.db2.gz QVBKWNJPNSGDJL-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN Cc1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1C ZINC000012944328 181814110 /nfs/dbraw/zinc/81/41/10/181814110.db2.gz CLENKLPHTQWEHI-UHFFFAOYSA-N 0 0 308.385 3.881 50 0 DHAARN Cc1cc(N(Cc2ccc(C(C)C)cc2)C2CC2)n2ncnc2n1 ZINC000012953143 181815616 /nfs/dbraw/zinc/81/56/16/181815616.db2.gz NEPVHRFSAQQGIP-UHFFFAOYSA-N 0 0 321.428 3.725 50 0 DHAARN C[C@H]1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)C1 ZINC000013008946 181822723 /nfs/dbraw/zinc/82/27/23/181822723.db2.gz VLOMPVOXNJRKNJ-AWEZNQCLSA-N 0 0 309.413 3.622 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000013014223 181823444 /nfs/dbraw/zinc/82/34/44/181823444.db2.gz JMFMWTFRQQIHPZ-UHFFFAOYSA-N 0 0 311.385 3.627 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(C)(C)C)on2)cc1 ZINC000013328622 181844322 /nfs/dbraw/zinc/84/43/22/181844322.db2.gz UQGQKAYKASFRDQ-GFCCVEGCSA-N 0 0 302.374 3.687 50 0 DHAARN CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[C@H]1O ZINC000013612863 181869306 /nfs/dbraw/zinc/86/93/06/181869306.db2.gz SVPDYELOYLXYBO-RTBURBONSA-N 0 0 309.409 3.729 50 0 DHAARN Cc1cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)no1 ZINC000013744998 181889050 /nfs/dbraw/zinc/88/90/50/181889050.db2.gz SRGSIDNPBRBEBP-NSHDSACASA-N 0 0 308.765 3.659 50 0 DHAARN Cc1ccnc(NC(=O)Nc2ccccc2Br)c1 ZINC000013745965 181889164 /nfs/dbraw/zinc/88/91/64/181889164.db2.gz KCGNJJOXWKENBB-UHFFFAOYSA-N 0 0 306.163 3.797 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=S)Nc2cccc(C)c2)c1 ZINC000013793251 181897980 /nfs/dbraw/zinc/89/79/80/181897980.db2.gz ZXYPTFGSCXENSY-UHFFFAOYSA-N 0 0 314.410 3.899 50 0 DHAARN CCOC(=O)Cc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000013765481 181891922 /nfs/dbraw/zinc/89/19/22/181891922.db2.gz QMUKSUNCSDAMMP-UHFFFAOYSA-N 0 0 314.772 3.760 50 0 DHAARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1O[C@H](C)CC ZINC000013843897 181906551 /nfs/dbraw/zinc/90/65/51/181906551.db2.gz LPQQVNKVHYOADV-AHEVQNHNSA-N 0 0 321.398 3.587 50 0 DHAARN CC[C@@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013810723 181899763 /nfs/dbraw/zinc/89/97/63/181899763.db2.gz MIYYOWVPCDXHJW-AEFFLSMTSA-N 0 0 308.381 3.975 50 0 DHAARN Cc1cccc(Oc2ccccc2NC(=O)c2cnn(C)c2)c1 ZINC000014200178 181936612 /nfs/dbraw/zinc/93/66/12/181936612.db2.gz GXBKOBUFURHQAZ-UHFFFAOYSA-N 0 0 307.353 3.773 50 0 DHAARN COc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000014239880 181940808 /nfs/dbraw/zinc/94/08/08/181940808.db2.gz KVRLSIIBIWPNDN-OAHLLOKOSA-N 0 0 317.385 3.801 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1cc(F)c(F)c(F)c1F ZINC000015004462 181982133 /nfs/dbraw/zinc/98/21/33/181982133.db2.gz ZTJFFCAYWQQNMA-UHFFFAOYSA-N 0 0 305.177 3.774 50 0 DHAARN FC(F)Oc1cc(Br)ccc1Br ZINC000015444655 182002343 /nfs/dbraw/zinc/00/23/43/182002343.db2.gz RWPUJYIGUYKGBB-UHFFFAOYSA-N 0 0 301.912 3.813 50 0 DHAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)NCc1ccc(F)cc1 ZINC000015671757 182011279 /nfs/dbraw/zinc/01/12/79/182011279.db2.gz VOAUYTIMKWNYHD-MRXNPFEDSA-N 0 0 315.392 3.612 50 0 DHAARN Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(C)cc1C ZINC000015673805 182011578 /nfs/dbraw/zinc/01/15/78/182011578.db2.gz FERXMVWJJUMSNO-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN Cc1ccc(NC(=O)c2cnn3c2ncc2c3CCCCC2)cc1 ZINC000015723468 182013595 /nfs/dbraw/zinc/01/35/95/182013595.db2.gz YVHIRMGNWRPZCW-UHFFFAOYSA-N 0 0 320.396 3.559 50 0 DHAARN Oc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1ccccc1O2 ZINC000015830869 182019491 /nfs/dbraw/zinc/01/94/91/182019491.db2.gz KFEGJNBZMQHUSN-UHFFFAOYSA-N 0 0 308.362 3.834 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000015836388 182020615 /nfs/dbraw/zinc/02/06/15/182020615.db2.gz BWADDNVLVMBURM-OAHLLOKOSA-N 0 0 319.426 3.731 50 0 DHAARN Cc1ccccc1C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000015839587 182021032 /nfs/dbraw/zinc/02/10/32/182021032.db2.gz WJRDZNYISDARKQ-LJQANCHMSA-N 0 0 302.377 3.909 50 0 DHAARN Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(F)cc1 ZINC000015841849 182021996 /nfs/dbraw/zinc/02/19/96/182021996.db2.gz IZUPEOMKVHKMHB-UHFFFAOYSA-N 0 0 306.340 3.885 50 0 DHAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)C1CC1 ZINC000015863616 182022620 /nfs/dbraw/zinc/02/26/20/182022620.db2.gz IYABMIJKMFYJII-UHFFFAOYSA-N 0 0 305.381 3.697 50 0 DHAARN Cc1cccc2nc(CNC(=O)Nc3ccc(Cl)cc3)cn21 ZINC000015913006 182023611 /nfs/dbraw/zinc/02/36/11/182023611.db2.gz RKDOYNPJGNHVTR-UHFFFAOYSA-N 0 0 314.776 3.618 50 0 DHAARN Cc1ccc(N(C)c2cc(C)nc3nc(-c4ccco4)nn32)cc1 ZINC000015780399 182016922 /nfs/dbraw/zinc/01/69/22/182016922.db2.gz SWCACNNGOCNKPV-UHFFFAOYSA-N 0 0 319.368 3.769 50 0 DHAARN COc1ccc(CCNC(=S)NC2CCCCCCC2)cc1 ZINC000016237585 182038047 /nfs/dbraw/zinc/03/80/47/182038047.db2.gz WONRGBOKEOXXQY-UHFFFAOYSA-N 0 0 320.502 3.815 50 0 DHAARN Cc1nnc2c3ccccc3nc(Nc3cccc(Cl)c3)n12 ZINC000016363478 182041830 /nfs/dbraw/zinc/04/18/30/182041830.db2.gz DHGVEQUXIMHEAN-UHFFFAOYSA-N 0 0 309.760 3.983 50 0 DHAARN CC[C@H]1CCc2sc(C(=O)NCc3cccnc3)cc2C1 ZINC000016603541 182052591 /nfs/dbraw/zinc/05/25/91/182052591.db2.gz PUTNBRAJKCSEKK-LBPRGKRZSA-N 0 0 300.427 3.588 50 0 DHAARN CC[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000016607452 182053361 /nfs/dbraw/zinc/05/33/61/182053361.db2.gz YPHIMNIUUAKASO-NSHDSACASA-N 0 0 311.341 3.981 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000016609450 182053614 /nfs/dbraw/zinc/05/36/14/182053614.db2.gz QHCGOCLCVWCKGA-DTORHVGOSA-N 0 0 303.189 3.635 50 0 DHAARN COc1cccc2c(NC(=O)c3ccc(F)cc3)cc(C)nc12 ZINC000016625641 182054110 /nfs/dbraw/zinc/05/41/10/182054110.db2.gz ZUUWCSSUBIOGOJ-UHFFFAOYSA-N 0 0 310.328 3.943 50 0 DHAARN Cc1cc(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2[nH]1 ZINC000016625726 182054111 /nfs/dbraw/zinc/05/41/11/182054111.db2.gz BIIRWFLLUDQRDF-UHFFFAOYSA-N 0 0 314.291 3.779 50 0 DHAARN COc1cccc2c(C)cc(N(C)CCc3ccccn3)nc12 ZINC000016667745 182056489 /nfs/dbraw/zinc/05/64/89/182056489.db2.gz LNWXCIZDOXCPSV-UHFFFAOYSA-N 0 0 307.397 3.626 50 0 DHAARN CSc1ncccc1C(=O)OCCOc1cc(C)cc(C)c1 ZINC000016694876 182058140 /nfs/dbraw/zinc/05/81/40/182058140.db2.gz KEFMIOWXZRUXOB-UHFFFAOYSA-N 0 0 317.410 3.656 50 0 DHAARN Cn1c(Cc2ccccc2)nnc1SCc1ccccc1F ZINC000017052456 182070916 /nfs/dbraw/zinc/07/09/16/182070916.db2.gz JWZDVQOJDYOPAD-UHFFFAOYSA-N 0 0 313.401 3.837 50 0 DHAARN CCC(=O)Nc1nc(-c2ccccc2Br)cs1 ZINC000016956471 182065732 /nfs/dbraw/zinc/06/57/32/182065732.db2.gz UPWLURQEOOHSBC-UHFFFAOYSA-N 0 0 311.204 3.921 50 0 DHAARN CCc1cc2c([nH]c(=S)n(-c3cccc(F)c3)c2=O)s1 ZINC000017031334 182069498 /nfs/dbraw/zinc/06/94/98/182069498.db2.gz IFGBYWQTMDJHPT-UHFFFAOYSA-N 0 0 306.387 3.811 50 0 DHAARN Cc1ccccc1/N=c1\scc(-c2ccccc2)n1CCO ZINC000017135833 182077106 /nfs/dbraw/zinc/07/71/06/182077106.db2.gz RGLAGLUAFMMUPH-HNENSFHCSA-N 0 0 310.422 3.750 50 0 DHAARN CCOc1ccc(S(=O)(=O)N[C@@H](CC)c2ccccc2)cc1 ZINC000017055019 182072653 /nfs/dbraw/zinc/07/26/53/182072653.db2.gz LEDZWXRSTXJHIE-KRWDZBQOSA-N 0 0 319.426 3.515 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)CCCC(=O)N1CCCC[C@@H]1CC ZINC000017056300 182073519 /nfs/dbraw/zinc/07/35/19/182073519.db2.gz VASKFUGFJHDMLA-CALCHBBNSA-N 0 0 322.493 3.739 50 0 DHAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1 ZINC000017115603 182075889 /nfs/dbraw/zinc/07/58/89/182075889.db2.gz SZJKSNOUKNQDFJ-UHFFFAOYSA-N 0 0 320.339 3.630 50 0 DHAARN O=C(NCCC1=CCCCC1)c1cncn1-c1ccc(F)cc1 ZINC000017335077 182083816 /nfs/dbraw/zinc/08/38/16/182083816.db2.gz URYSDMOFTJBTME-UHFFFAOYSA-N 0 0 313.376 3.632 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000017590856 182084578 /nfs/dbraw/zinc/08/45/78/182084578.db2.gz MRKTWDIYIYFRJK-UHFFFAOYSA-N 0 0 313.382 3.921 50 0 DHAARN CCCNc1nc2c(cnn2C)c(Nc2cccc(Cl)c2)n1 ZINC000017286250 182080863 /nfs/dbraw/zinc/08/08/63/182080863.db2.gz IVCBEWJAZANFOP-UHFFFAOYSA-N 0 0 316.796 3.582 50 0 DHAARN C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000018016415 182089847 /nfs/dbraw/zinc/08/98/47/182089847.db2.gz DZVGMQDXZKSFSM-NSHDSACASA-N 0 0 304.340 3.522 50 0 DHAARN O=C(/C=C/c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000018255291 182100878 /nfs/dbraw/zinc/10/08/78/182100878.db2.gz QFDOQJQKCNJMCA-QFQMRYFISA-N 0 0 317.392 3.940 50 0 DHAARN Cc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1Cl ZINC000018155809 182095065 /nfs/dbraw/zinc/09/50/65/182095065.db2.gz BTGWUADVMNXUFH-KBPBESRZSA-N 0 0 303.789 3.884 50 0 DHAARN Cc1ccc(NC(=O)NCCc2ccc(OC(F)F)cc2)cc1 ZINC000018174123 182096561 /nfs/dbraw/zinc/09/65/61/182096561.db2.gz RFDBPKAUUMXXQJ-UHFFFAOYSA-N 0 0 320.339 3.961 50 0 DHAARN COc1ccccc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000018175518 182096607 /nfs/dbraw/zinc/09/66/07/182096607.db2.gz RWZBXCUBCFKACD-SNVBAGLBSA-N 0 0 306.312 3.856 50 0 DHAARN C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000018208062 182099004 /nfs/dbraw/zinc/09/90/04/182099004.db2.gz PCQGCTZCZUSYQM-LLVKDONJSA-N 0 0 304.390 3.562 50 0 DHAARN Cn1cc(Cl)c([C@@H]2CCCCCN2C(=O)c2cccs2)n1 ZINC000019290028 182112577 /nfs/dbraw/zinc/11/25/77/182112577.db2.gz RFQNUOZCJDTRIB-LBPRGKRZSA-N 0 0 323.849 3.893 50 0 DHAARN CCc1cc2c(ncn(Cc3ccc(F)cc3Cl)c2=O)s1 ZINC000019356409 182117746 /nfs/dbraw/zinc/11/77/46/182117746.db2.gz MQPUOALKOWZAEW-UHFFFAOYSA-N 0 0 322.792 3.861 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(C)nc2)c(Br)c1 ZINC000019431156 182122926 /nfs/dbraw/zinc/12/29/26/182122926.db2.gz ZZKDCIZZIDKJNR-UHFFFAOYSA-N 0 0 305.175 3.713 50 0 DHAARN COc1cc2nc(-c3cc4ccccc4o3)nc(N)c2cc1OC ZINC000097527300 193730440 /nfs/dbraw/zinc/73/04/40/193730440.db2.gz HSYBINAHPSVQPT-UHFFFAOYSA-N 0 0 321.336 3.642 50 0 DHAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c(C)c1 ZINC000019736443 182140762 /nfs/dbraw/zinc/14/07/62/182140762.db2.gz GSNHPMDFZPZDJD-UHFFFAOYSA-N 0 0 304.777 3.557 50 0 DHAARN Cc1cc(N)ccc1NC(=O)COc1ccc(Cl)cc1C ZINC000019736358 182140778 /nfs/dbraw/zinc/14/07/78/182140778.db2.gz FWQMARNHKUDJTH-UHFFFAOYSA-N 0 0 304.777 3.557 50 0 DHAARN O=S(=O)(Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000019822728 182153887 /nfs/dbraw/zinc/15/38/87/182153887.db2.gz NVCKSZFXSWJIAV-UHFFFAOYSA-N 0 0 301.194 3.967 50 0 DHAARN CCc1ccc2c(C)nc(NC3=NC(C)(C)CC(C)=N3)nc2c1 ZINC000019831564 182154978 /nfs/dbraw/zinc/15/49/78/182154978.db2.gz NGFXXIKLZLDQGL-UHFFFAOYSA-N 0 0 309.417 3.912 50 0 DHAARN CCCc1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000019910153 182163653 /nfs/dbraw/zinc/16/36/53/182163653.db2.gz XFAQTIDDRRODCN-UHFFFAOYSA-N 0 0 312.320 3.824 50 0 DHAARN Cc1sc2[nH]c(CNc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000019926641 182165044 /nfs/dbraw/zinc/16/50/44/182165044.db2.gz FMCVQUQBJOAGEL-UHFFFAOYSA-N 0 0 319.817 3.867 50 0 DHAARN CCOc1ccccc1[C@@H]1SCC(=O)N1c1ncc(C)s1 ZINC000019927016 182165179 /nfs/dbraw/zinc/16/51/79/182165179.db2.gz IONWVNMKOUGAQJ-AWEZNQCLSA-N 0 0 320.439 3.629 50 0 DHAARN COc1ccc(CN2C(=O)CS[C@@H]2c2cccs2)cc1 ZINC000019927319 182165222 /nfs/dbraw/zinc/16/52/22/182165222.db2.gz MWUUAVIDISPBAW-OAHLLOKOSA-N 0 0 305.424 3.531 50 0 DHAARN C[NH+](C)C[P@](=O)([O-])CCn1c2ccccc2c2ccccc21 ZINC000019848242 182156778 /nfs/dbraw/zinc/15/67/78/182156778.db2.gz CYLCARBQQUNSTL-UHFFFAOYSA-N 0 0 316.341 3.584 50 0 DHAARN Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCOCC1 ZINC000019864070 182158481 /nfs/dbraw/zinc/15/84/81/182158481.db2.gz MEHVBJAOPKFSFL-SFHVURJKSA-N 0 0 312.438 3.959 50 0 DHAARN CC(C)[C@@H]1CCCCN1C(=O)Nc1ccccc1C[S@@](C)=O ZINC000160309263 197398852 /nfs/dbraw/zinc/39/88/52/197398852.db2.gz QBZRFIZUBIDNMF-AOMKIAJQSA-N 0 0 322.474 3.608 50 0 DHAARN O=C(CN1CCOCC1)OC1CCCCCCCCCCC1 ZINC000020082219 182185384 /nfs/dbraw/zinc/18/53/84/182185384.db2.gz UUWKHRVZBCHTFH-UHFFFAOYSA-N 0 0 311.466 3.535 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(C)cc2)cc1 ZINC000020278161 182202296 /nfs/dbraw/zinc/20/22/96/182202296.db2.gz DHXCTEHSQBHJSQ-SFHVURJKSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1ccc(NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1 ZINC000097680008 193746528 /nfs/dbraw/zinc/74/65/28/193746528.db2.gz YLPUJQZXSNJLHZ-UHFFFAOYSA-N 0 0 310.401 3.630 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(F)cc2Br)cn1 ZINC000020430159 182216660 /nfs/dbraw/zinc/21/66/60/182216660.db2.gz XBEPPNHHNMDWIZ-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN O=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)no1 ZINC000020436627 182217123 /nfs/dbraw/zinc/21/71/23/182217123.db2.gz NSHDDIKZLXHOSR-UHFFFAOYSA-N 0 0 317.707 3.781 50 0 DHAARN CCOc1ccccc1NC(=O)NCc1noc2ccccc12 ZINC000020516588 182226219 /nfs/dbraw/zinc/22/62/19/182226219.db2.gz XTXSEIMGPZQYPP-UHFFFAOYSA-N 0 0 311.341 3.548 50 0 DHAARN CCc1ccccc1N(C)C(=O)NCc1noc2ccccc12 ZINC000020516611 182226450 /nfs/dbraw/zinc/22/64/50/182226450.db2.gz ZEDBJIVQGGLYDH-UHFFFAOYSA-N 0 0 309.369 3.736 50 0 DHAARN O=C1C[C@H](c2nc(-c3ccc(C4CCCCC4)cc3)c[nH]2)CN1 ZINC000020707595 182243123 /nfs/dbraw/zinc/24/31/23/182243123.db2.gz HLSFCLLRPZFPRD-INIZCTEOSA-N 0 0 309.413 3.728 50 0 DHAARN CCOC(=O)c1c(C)oc2ncnc(N[C@H]3CCCC[C@@H]3C)c21 ZINC000020575339 182234567 /nfs/dbraw/zinc/23/45/67/182234567.db2.gz OPTQOZFYFVIUIA-JQWIXIFHSA-N 0 0 317.389 3.699 50 0 DHAARN Cn1c2ccccc2c2cc(CC(=O)Nc3ccon3)ccc21 ZINC000020599014 182236625 /nfs/dbraw/zinc/23/66/25/182236625.db2.gz LNKFPSLWIOXDEW-UHFFFAOYSA-N 0 0 305.337 3.501 50 0 DHAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)NCc1ccccc1 ZINC000020900377 182252888 /nfs/dbraw/zinc/25/28/88/182252888.db2.gz ZMSODCCLVAZCMD-KRWDZBQOSA-N 0 0 311.429 3.863 50 0 DHAARN CC(C)Oc1ccc([C@H]2SCC(=O)Nc3n[nH]cc32)cc1 ZINC000020733669 182244952 /nfs/dbraw/zinc/24/49/52/182244952.db2.gz AENPWSWTFUXLTA-CQSZACIVSA-N 0 0 303.387 3.621 50 0 DHAARN COc1ccc(C(=O)Nc2cccc3ccccc32)c(OC)n1 ZINC000020740815 182245973 /nfs/dbraw/zinc/24/59/73/182245973.db2.gz ZOUSEXMNVFTVPS-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN C[C@@H](NC(=O)c1nc2ccccc2nc1Cl)c1ccccc1 ZINC000020854096 182249183 /nfs/dbraw/zinc/24/91/83/182249183.db2.gz SCYVRFMQJDTEOV-LLVKDONJSA-N 0 0 311.772 3.774 50 0 DHAARN COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)no2)cc1 ZINC000020896724 182252409 /nfs/dbraw/zinc/25/24/09/182252409.db2.gz KJHMAEBQHWSFLH-UHFFFAOYSA-N 0 0 309.321 3.878 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)nc(Cl)c1 ZINC000021047801 182263565 /nfs/dbraw/zinc/26/35/65/182263565.db2.gz HOLQSSCZETWBOH-UHFFFAOYSA-N 0 0 321.207 3.850 50 0 DHAARN CC(C)c1ccc(NC(=O)N[C@H]2COc3ccccc3C2)cc1 ZINC000021101662 182265271 /nfs/dbraw/zinc/26/52/71/182265271.db2.gz MZGVOSHXESJYHT-QGZVFWFLSA-N 0 0 310.397 3.935 50 0 DHAARN Clc1cc(CN2CCc3ccccc3C2)cc2c1OCCO2 ZINC000020938049 182255973 /nfs/dbraw/zinc/25/59/73/182255973.db2.gz YUPYZEJEPJOLAM-UHFFFAOYSA-N 0 0 315.800 3.670 50 0 DHAARN Cc1cc(C)c(-c2c(=O)c(=O)c2NC2CCC(C)CC2)cc1C ZINC000020939806 182256050 /nfs/dbraw/zinc/25/60/50/182256050.db2.gz MMBDMIGRNPCTKR-UHFFFAOYSA-N 0 0 311.425 3.865 50 0 DHAARN Cc1cc(C)c(-c2c(=O)c(=O)c2N[C@@H]2CCCC[C@H]2C)cc1C ZINC000020939816 182256104 /nfs/dbraw/zinc/25/61/04/182256104.db2.gz GQKZQZRADNKHET-BDJLRTHQSA-N 0 0 311.425 3.865 50 0 DHAARN COc1cccc(-c2noc(Nc3ccc(F)cc3)n2)c1OC ZINC000020996811 182257903 /nfs/dbraw/zinc/25/79/03/182257903.db2.gz QCBYKWVDGHLTEK-UHFFFAOYSA-N 0 0 315.304 3.637 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2ccc(F)cc2)n1-c1ccccc1 ZINC000021108131 182265104 /nfs/dbraw/zinc/26/51/04/182265104.db2.gz NXXFUTMGJPHDKF-GOSISDBHSA-N 0 0 319.339 3.992 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2ccccc2)n1-c1ccccc1 ZINC000021108374 182265123 /nfs/dbraw/zinc/26/51/23/182265123.db2.gz QNQZGHYCSSBYTO-SFHVURJKSA-N 0 0 301.349 3.853 50 0 DHAARN Cc1ccc(C)c(C(=O)[C@@H](C)n2nnc(-c3ccccc3C)n2)c1 ZINC000021128316 182265836 /nfs/dbraw/zinc/26/58/36/182265836.db2.gz KSSVFJAFICEKPK-OAHLLOKOSA-N 0 0 320.396 3.709 50 0 DHAARN CCC[C@H](C(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000021137877 182266499 /nfs/dbraw/zinc/26/64/99/182266499.db2.gz OKLPWEGBWQRHDZ-SFHVURJKSA-N 0 0 324.424 3.911 50 0 DHAARN COc1ccccc1-c1cc2nc(C)cc(N3CCCCC3)n2n1 ZINC000021150492 182267469 /nfs/dbraw/zinc/26/74/69/182267469.db2.gz UDQRZMMCEYJVFZ-UHFFFAOYSA-N 0 0 322.412 3.704 50 0 DHAARN COc1ccccc1CNC(=O)c1ccc2c(c1)c(C)c(C)n2C ZINC000021163979 182267540 /nfs/dbraw/zinc/26/75/40/182267540.db2.gz KPTAUNCOMOEMRU-UHFFFAOYSA-N 0 0 322.408 3.734 50 0 DHAARN Cc1nc(SC[C@H]2CCCCO2)[nH]c1Cc1ccccc1 ZINC000021329496 182271879 /nfs/dbraw/zinc/27/18/79/182271879.db2.gz NKEGVWIMJPEXSJ-OAHLLOKOSA-N 0 0 302.443 3.970 50 0 DHAARN Cc1cc(C)n(-c2cc(NCc3cccc(Cl)c3)ncn2)n1 ZINC000021713358 182284968 /nfs/dbraw/zinc/28/49/68/182284968.db2.gz DAFLWGJGXFWWPH-UHFFFAOYSA-N 0 0 313.792 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/nfs/dbraw/zinc/30/85/98/182308598.db2.gz ZOJUAERGIBNWBW-UHFFFAOYSA-N 0 0 321.355 3.752 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2F)cc1 ZINC000022285374 182316666 /nfs/dbraw/zinc/31/66/66/182316666.db2.gz CXLXHSGJLXGOST-KRWDZBQOSA-N 0 0 317.335 3.951 50 0 DHAARN C[C@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N1CCCC1 ZINC000022301653 182316974 /nfs/dbraw/zinc/31/69/74/182316974.db2.gz NSAWIXRLIFHAFJ-VIFPVBQESA-N 0 0 310.806 3.584 50 0 DHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)CC)CCCC2 ZINC000022319507 182317604 /nfs/dbraw/zinc/31/76/04/182317604.db2.gz YOTFNEOABNWIQO-SNVBAGLBSA-N 0 0 309.431 3.788 50 0 DHAARN C/C=C(\C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000022319910 182317806 /nfs/dbraw/zinc/31/78/06/182317806.db2.gz CSMONSBKNOKSLU-ONNFQVAWSA-N 0 0 307.415 3.708 50 0 DHAARN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)C[C@H]1C=CCC1)CC3 ZINC000022326707 182318373 /nfs/dbraw/zinc/31/83/73/182318373.db2.gz OGGXBZJBHZVPKE-GJZGRUSLSA-N 0 0 308.425 3.806 50 0 DHAARN CCCOCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000022327903 182318385 /nfs/dbraw/zinc/31/83/85/182318385.db2.gz IYROPKITCVUWTH-UHFFFAOYSA-N 0 0 322.792 3.542 50 0 DHAARN O=C(OCc1ccc(Cl)nc1)c1ccc2ccccc2c1O ZINC000022408686 182320905 /nfs/dbraw/zinc/32/09/05/182320905.db2.gz ZYEVDUSLDLSDNV-UHFFFAOYSA-N 0 0 313.740 3.951 50 0 DHAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1F ZINC000022226606 182313725 /nfs/dbraw/zinc/31/37/25/182313725.db2.gz BUKWQIKJHWRBKG-BZNIZROVSA-N 0 0 301.386 3.720 50 0 DHAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000022609000 182327989 /nfs/dbraw/zinc/32/79/89/182327989.db2.gz CBQNKADAVZBHII-CYBMUJFWSA-N 0 0 321.829 3.977 50 0 DHAARN CC[C@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000022618807 182328832 /nfs/dbraw/zinc/32/88/32/182328832.db2.gz XDIYQSQQZSDWJB-NSHDSACASA-N 0 0 306.793 3.842 50 0 DHAARN O=C(NC[C@H]1Cc2cc(F)ccc2O1)c1ccc2ccccc2c1 ZINC000022633366 182329201 /nfs/dbraw/zinc/32/92/01/182329201.db2.gz ICVIBZWRYHQQGM-GOSISDBHSA-N 0 0 321.351 3.712 50 0 DHAARN CC[C@H](COC)NC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022638507 182329559 /nfs/dbraw/zinc/32/95/59/182329559.db2.gz KZNZWEIABWJTIS-MRXNPFEDSA-N 0 0 324.380 3.650 50 0 DHAARN CCCc1nnc(NC(=O)c2cc3ccccc3cc2O)s1 ZINC000022746480 182332470 /nfs/dbraw/zinc/33/24/70/182332470.db2.gz FILPAGSPYHUSNW-UHFFFAOYSA-N 0 0 313.382 3.602 50 0 DHAARN O=C(NCCc1ccc(Br)s1)c1cccs1 ZINC000022521610 182325262 /nfs/dbraw/zinc/32/52/62/182325262.db2.gz JCEASUZFGNSGJB-UHFFFAOYSA-N 0 0 316.245 3.545 50 0 DHAARN CSc1nnc(C(C)C)c2cnn(-c3ccc(F)cc3)c21 ZINC000023137689 182350746 /nfs/dbraw/zinc/35/07/46/182350746.db2.gz YBWKFBKJRADMKR-UHFFFAOYSA-N 0 0 302.378 3.800 50 0 DHAARN COc1ccc(NC(=O)NCCCOC2CCCCC2)cc1 ZINC000023234263 182353795 /nfs/dbraw/zinc/35/37/95/182353795.db2.gz FIBOZEGEEWPIDK-UHFFFAOYSA-N 0 0 306.406 3.556 50 0 DHAARN C[C@@H]1CCCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000023244285 182353812 /nfs/dbraw/zinc/35/38/12/182353812.db2.gz PPYZLVSWUNDAGA-BTDICHCPSA-N 0 0 321.804 3.525 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1 ZINC000023268980 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Cc1ccc(Cc2cnc(NC(=O)c3ccc(C)nc3)s2)cc1 ZINC000023761742 182368294 /nfs/dbraw/zinc/36/82/94/182368294.db2.gz KESOSRQGDUUPDQ-UHFFFAOYSA-N 0 0 323.421 3.998 50 0 DHAARN O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc2ncccc21 ZINC000023890467 182369682 /nfs/dbraw/zinc/36/96/82/182369682.db2.gz MANOTXAMMBUYSC-UHFFFAOYSA-N 0 0 314.348 3.673 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1nnc(C(CC)CC)s1 ZINC000024715749 182389024 /nfs/dbraw/zinc/38/90/24/182389024.db2.gz PLPSCVRSPCUUNN-UHFFFAOYSA-N 0 0 308.407 3.553 50 0 DHAARN CN(C)c1cccc(C(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000024762602 182389930 /nfs/dbraw/zinc/38/99/30/182389930.db2.gz FAVIVTUJPYFDBL-UHFFFAOYSA-N 0 0 322.452 3.994 50 0 DHAARN C[C@@H](NC(=O)c1ccccc1F)c1ccc(OC(F)F)cc1 ZINC000024831235 182392515 /nfs/dbraw/zinc/39/25/15/182392515.db2.gz MOVZECFBAGTQAR-SNVBAGLBSA-N 0 0 309.287 3.918 50 0 DHAARN Cc1[nH]c2c(cccc2C(=O)N(C)CCOc2ccccc2)c1C ZINC000024560544 182383216 /nfs/dbraw/zinc/38/32/16/182383216.db2.gz FWSZPNVWUNFYHO-UHFFFAOYSA-N 0 0 322.408 3.936 50 0 DHAARN O=C(NCCc1c[nH]c2ccccc12)C1(c2ccccc2)CCC1 ZINC000024603628 182385304 /nfs/dbraw/zinc/38/53/04/182385304.db2.gz JOWLELLHNKSGPW-UHFFFAOYSA-N 0 0 318.420 3.949 50 0 DHAARN Cc1cccc(NC(=O)c2cccnc2Oc2ccccc2)n1 ZINC000024924839 182395083 /nfs/dbraw/zinc/39/50/83/182395083.db2.gz QKNJEKQVTWWNQU-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccc(C)cc2)C2CC2)c1C ZINC000025292952 182407485 /nfs/dbraw/zinc/40/74/85/182407485.db2.gz OOIJBJYUMRCPMM-UHFFFAOYSA-N 0 0 324.424 3.947 50 0 DHAARN Cc1ccc(NCc2cc(=O)n3cc(Cl)ccc3n2)c(C)c1 ZINC000025629327 182418596 /nfs/dbraw/zinc/41/85/96/182418596.db2.gz YPLKWALAUVUILI-UHFFFAOYSA-N 0 0 313.788 3.577 50 0 DHAARN O=C(CSc1nccn1-c1ccccc1)c1ccc(F)cc1 ZINC000026127762 182430746 /nfs/dbraw/zinc/43/07/46/182430746.db2.gz TURFQNXQGXSGKO-UHFFFAOYSA-N 0 0 312.369 3.986 50 0 DHAARN COc1ccccc1-c1cc(COC(=O)c2occc2C)on1 ZINC000026280207 182435760 /nfs/dbraw/zinc/43/57/60/182435760.db2.gz GSKDYLVMAAKXGW-UHFFFAOYSA-N 0 0 313.309 3.609 50 0 DHAARN 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Cc1cccnc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000027651851 182485930 /nfs/dbraw/zinc/48/59/30/182485930.db2.gz AMNOOMGGVGVUQE-UHFFFAOYSA-N 0 0 315.423 3.756 50 0 DHAARN Cc1c(C(=O)N[C@H](C)[C@@H]2CCCO2)sc2nc(C)cc(C)c12 ZINC000027885540 182495668 /nfs/dbraw/zinc/49/56/68/182495668.db2.gz VJHJZKQMFWMFIT-OLZOCXBDSA-N 0 0 318.442 3.519 50 0 DHAARN CC(C)(C)c1nc(CSc2ncnc3ccccc32)no1 ZINC000028009247 182504379 /nfs/dbraw/zinc/50/43/79/182504379.db2.gz LNXMWVVPINOCAK-UHFFFAOYSA-N 0 0 300.387 3.603 50 0 DHAARN CC(C)(C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000029169781 182555164 /nfs/dbraw/zinc/55/51/64/182555164.db2.gz ZFPQBDWPUGRYEZ-UHFFFAOYSA-N 0 0 322.408 3.951 50 0 DHAARN COc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000030858419 182600285 /nfs/dbraw/zinc/60/02/85/182600285.db2.gz DBUJYKQXJOFJPN-LBPRGKRZSA-N 0 0 303.789 3.769 50 0 DHAARN CC1=CC[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 ZINC000100394893 193799090 /nfs/dbraw/zinc/79/90/90/193799090.db2.gz XVMHMVDTROABSK-CHWSQXEVSA-N 0 0 310.180 3.839 50 0 DHAARN CCN(C(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1C ZINC000032753821 182659485 /nfs/dbraw/zinc/65/94/85/182659485.db2.gz SWAGNZJPHMLVGP-UHFFFAOYSA-N 0 0 319.408 3.907 50 0 DHAARN CCCc1nc(CSc2nc3sccc3c(N)n2)cs1 ZINC000032777245 182662453 /nfs/dbraw/zinc/66/24/53/182662453.db2.gz HJBXORRDZVXRSS-UHFFFAOYSA-N 0 0 322.484 3.975 50 0 DHAARN Cc1cccc(NC(=O)CSc2nnc(C(C)C)o2)c1C ZINC000032863499 182672457 /nfs/dbraw/zinc/67/24/57/182672457.db2.gz PWXZAPFBWVWIAJ-UHFFFAOYSA-N 0 0 305.403 3.541 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)NCc1coc(-c2cccs2)n1 ZINC000032870413 182673436 /nfs/dbraw/zinc/67/34/36/182673436.db2.gz FWIGTUPUUPFEEX-WCQYABFASA-N 0 0 319.430 3.781 50 0 DHAARN O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccccc1 ZINC000032797238 182664714 /nfs/dbraw/zinc/66/47/14/182664714.db2.gz XFTOSWCBTJIEPM-UHFFFAOYSA-N 0 0 322.330 3.747 50 0 DHAARN Cc1ccc2n[nH]c(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 ZINC000032814765 182667141 /nfs/dbraw/zinc/66/71/41/182667141.db2.gz SDIUZRULUIWLIP-UHFFFAOYSA-N 0 0 309.413 3.570 50 0 DHAARN CCc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3nnnn32)cc1 ZINC000101024751 193806611 /nfs/dbraw/zinc/80/66/11/193806611.db2.gz CJYUEDSGXPBCIC-SFHVURJKSA-N 0 0 317.396 3.600 50 0 DHAARN CCCC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 ZINC000034840279 182740262 /nfs/dbraw/zinc/74/02/62/182740262.db2.gz VILABJBLLFHBIY-UHFFFAOYSA-N 0 0 300.358 3.930 50 0 DHAARN COc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000034906889 182742522 /nfs/dbraw/zinc/74/25/22/182742522.db2.gz YRMGVFYUOQTVAU-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN Cc1cc(NC(=O)COc2ccccc2)nn1-c1cccc(C)c1 ZINC000034907582 182743062 /nfs/dbraw/zinc/74/30/62/182743062.db2.gz BYNAYYQVZZDEBI-UHFFFAOYSA-N 0 0 321.380 3.507 50 0 DHAARN CCCN(Cc1cc(-c2ccccc2)on1)C(=O)c1ccco1 ZINC000036005981 182792586 /nfs/dbraw/zinc/79/25/86/182792586.db2.gz DWNMMSPTBPHTCV-UHFFFAOYSA-N 0 0 310.353 3.987 50 0 DHAARN CCCCOc1ccc(C(=O)N2CCOC23CCCCC3)cc1 ZINC000035671122 182784500 /nfs/dbraw/zinc/78/45/00/182784500.db2.gz NVYUMZLTGCBPKD-UHFFFAOYSA-N 0 0 317.429 3.998 50 0 DHAARN COC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000035767028 182788498 /nfs/dbraw/zinc/78/84/98/182788498.db2.gz HCJFTXQJWPROKF-UHFFFAOYSA-N 0 0 320.801 3.895 50 0 DHAARN Cc1nn(C)cc1-c1cc(C(F)F)nc(NCCC(C)C)n1 ZINC000036618616 182829188 /nfs/dbraw/zinc/82/91/88/182829188.db2.gz ZVCNVGWHKGZUII-UHFFFAOYSA-N 0 0 309.364 3.581 50 0 DHAARN Cn1c(=O)c2ccsc2nc1SCc1cccc(Cl)c1 ZINC000036662034 182833954 /nfs/dbraw/zinc/83/39/54/182833954.db2.gz YFIRXRPVAUDREN-UHFFFAOYSA-N 0 0 322.842 3.941 50 0 DHAARN Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c(C)o1 ZINC000036674295 182834980 /nfs/dbraw/zinc/83/49/80/182834980.db2.gz LCTJNPKCLPCASD-MRXNPFEDSA-N 0 0 320.820 3.583 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CCN(c3cccc(C)c3C)C2=O)cc1 ZINC000037570808 182909303 /nfs/dbraw/zinc/90/93/03/182909303.db2.gz QZDUNLYFFMMXCR-QGZVFWFLSA-N 0 0 322.408 3.603 50 0 DHAARN COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000037868658 182933568 /nfs/dbraw/zinc/93/35/68/182933568.db2.gz ZWZZAIYNBYNOON-UHFFFAOYSA-N 0 0 311.263 3.753 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000038695926 183006509 /nfs/dbraw/zinc/00/65/09/183006509.db2.gz YEPVJFKNBXNDDI-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN O=C1NC(=O)/C(=C/c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000040009548 183027136 /nfs/dbraw/zinc/02/71/36/183027136.db2.gz KAKZTHBUYPEQSE-NTEUORMPSA-N 0 0 317.266 3.516 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)NCCCn1ccc2ccccc21 ZINC000040024100 183028110 /nfs/dbraw/zinc/02/81/10/183028110.db2.gz GBGIXIBFRDMTOM-NVXWUHKLSA-N 0 0 313.445 3.909 50 0 DHAARN COc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000040034751 183029378 /nfs/dbraw/zinc/02/93/78/183029378.db2.gz CAZQJUVJXKDTBJ-UHFFFAOYSA-N 0 0 317.698 3.770 50 0 DHAARN Cc1nn(C)c(Cl)c1C(=O)c1ccc(Cl)cc1Cl ZINC000039373677 183017067 /nfs/dbraw/zinc/01/70/67/183017067.db2.gz JXKPGKSFHPGZEQ-UHFFFAOYSA-N 0 0 303.576 3.920 50 0 DHAARN CCC(C)(C)C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000039404077 183018038 /nfs/dbraw/zinc/01/80/38/183018038.db2.gz JAZOWWFLUNQEQE-UHFFFAOYSA-N 0 0 322.493 3.500 50 0 DHAARN Cc1c(C(=O)N[C@H](C)c2ccco2)sc2nc(C)nc(C)c12 ZINC000039549316 183020129 /nfs/dbraw/zinc/02/01/29/183020129.db2.gz IYYJQTFSKADHKU-SECBINFHSA-N 0 0 315.398 3.701 50 0 DHAARN CC(=O)c1cc(C(C)(C)c2ccc(O)c(C(C)=O)c2)ccc1O ZINC000039932564 183022791 /nfs/dbraw/zinc/02/27/91/183022791.db2.gz CGLRYOLHVXQPGX-UHFFFAOYSA-N 0 0 312.365 3.829 50 0 DHAARN Fc1ccc(Nc2nc(Cl)ncc2Br)cc1 ZINC000039957248 183025172 /nfs/dbraw/zinc/02/51/72/183025172.db2.gz BFQATPFALFENCF-UHFFFAOYSA-N 0 0 302.534 3.775 50 0 DHAARN O=S(=O)(c1cccs1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000040155809 183040651 /nfs/dbraw/zinc/04/06/51/183040651.db2.gz RPYOLXVOHZNCMQ-OAHLLOKOSA-N 0 0 319.451 3.589 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Nc1ccc(F)cc1 ZINC000040161222 183041174 /nfs/dbraw/zinc/04/11/74/183041174.db2.gz FLXSKXIESSGQLQ-HUUCEWRRSA-N 0 0 314.404 3.764 50 0 DHAARN Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2N(C)C ZINC000040216707 183046581 /nfs/dbraw/zinc/04/65/81/183046581.db2.gz KUXVHJPBJYCGQA-UHFFFAOYSA-N 0 0 300.793 3.733 50 0 DHAARN CCCCCN(C(=O)c1cc(C)nc2c1c(C)nn2C)C(C)C ZINC000040074128 183031395 /nfs/dbraw/zinc/03/13/95/183031395.db2.gz HCWZLQNZYQAFHU-UHFFFAOYSA-N 0 0 316.449 3.626 50 0 DHAARN O=C(NCCSC1CCCC1)c1ccc(Cl)cc1F ZINC000040082603 183031952 /nfs/dbraw/zinc/03/19/52/183031952.db2.gz QHBCDMKHPANXDI-UHFFFAOYSA-N 0 0 301.814 3.885 50 0 DHAARN CN(Cc1ccc(F)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000040079522 183032206 /nfs/dbraw/zinc/03/22/06/183032206.db2.gz IIHKYTAODDNWNL-UHFFFAOYSA-N 0 0 322.383 3.818 50 0 DHAARN CCOc1ccc(NC(=O)NCc2ccccc2COC)cc1 ZINC000040095521 183034257 /nfs/dbraw/zinc/03/42/57/183034257.db2.gz FVFMHEUXYDXWOY-UHFFFAOYSA-N 0 0 314.385 3.553 50 0 DHAARN COc1cccc(CNC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000040097505 183034291 /nfs/dbraw/zinc/03/42/91/183034291.db2.gz SHIQERZUDFKTPX-UHFFFAOYSA-N 0 0 308.740 3.809 50 0 DHAARN COc1ccccc1CNC(=O)Nc1cccc2ncccc21 ZINC000040103575 183035705 /nfs/dbraw/zinc/03/57/05/183035705.db2.gz ILODLQACBJWGBS-UHFFFAOYSA-N 0 0 307.353 3.565 50 0 DHAARN CC(=O)Nc1ccc(CC(=O)N2CCCCc3ccccc32)cc1 ZINC000040133926 183038583 /nfs/dbraw/zinc/03/85/83/183038583.db2.gz NYKUBCKWFPHCRD-UHFFFAOYSA-N 0 0 322.408 3.557 50 0 DHAARN Cc1c(C(=O)N[C@H](C)c2cccc(F)c2)oc2c1C(=O)CCC2 ZINC000040130085 183038831 /nfs/dbraw/zinc/03/88/31/183038831.db2.gz UVRPOILXXJTJPI-LLVKDONJSA-N 0 0 315.344 3.737 50 0 DHAARN O=C1C[C@@H](c2ccccc2F)c2ncn(-c3cccnc3)c2N1 ZINC000040284623 183050833 /nfs/dbraw/zinc/05/08/33/183050833.db2.gz PTBAGXUVEOTUDV-ZDUSSCGKSA-N 0 0 308.316 3.530 50 0 DHAARN O=C1C[C@@H](c2cccs2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040284744 183051179 /nfs/dbraw/zinc/05/11/79/183051179.db2.gz RFSUHIGSBZDILX-LBPRGKRZSA-N 0 0 313.357 3.547 50 0 DHAARN CCOC(CSc1cccc(Br)c1)OCC ZINC000040448646 183068447 /nfs/dbraw/zinc/06/84/47/183068447.db2.gz MOPQTTCHAQKKMZ-UHFFFAOYSA-N 0 0 305.237 3.940 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc2[nH]cnc2c1 ZINC000040284407 183050340 /nfs/dbraw/zinc/05/03/40/183050340.db2.gz WRVGNWYUVUSQHR-UHFFFAOYSA-N 0 0 304.353 3.616 50 0 DHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c1 ZINC000040473019 183073961 /nfs/dbraw/zinc/07/39/61/183073961.db2.gz FMVPBPFTUROYQW-PBHICJAKSA-N 0 0 315.413 3.724 50 0 DHAARN CC[C@H](C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000040525122 183091905 /nfs/dbraw/zinc/09/19/05/183091905.db2.gz LOEKEJXTRXVMBM-GJZGRUSLSA-N 0 0 312.413 3.884 50 0 DHAARN Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000040526076 183091971 /nfs/dbraw/zinc/09/19/71/183091971.db2.gz XWSPOJIDYJJOCK-JTQLQIEISA-N 0 0 304.287 3.940 50 0 DHAARN CCc1ccc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 ZINC000040549064 183099851 /nfs/dbraw/zinc/09/98/51/183099851.db2.gz HTUHAQMLPABGKN-UHFFFAOYSA-N 0 0 307.353 3.597 50 0 DHAARN Cc1cc(Cl)ccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000040554126 183101213 /nfs/dbraw/zinc/10/12/13/183101213.db2.gz ZMFOUBLRAKXFDA-UHFFFAOYSA-N 0 0 317.698 3.653 50 0 DHAARN O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccoc1 ZINC000040555994 183102169 /nfs/dbraw/zinc/10/21/69/183102169.db2.gz CPDSLGZQHJPARN-UHFFFAOYSA-N 0 0 307.353 3.732 50 0 DHAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000041096821 183165088 /nfs/dbraw/zinc/16/50/88/183165088.db2.gz CGWBIVLOKHHBAZ-UHFFFAOYSA-N 0 0 322.257 3.722 50 0 DHAARN CCc1cc2c(nc(CC)nc2NCCCn2ccnc2)s1 ZINC000041090092 183164181 /nfs/dbraw/zinc/16/41/81/183164181.db2.gz HVLWGCLVIYGLTO-UHFFFAOYSA-N 0 0 315.446 3.515 50 0 DHAARN Cc1ccc(C2=NC(=C3Nc4ccccc4S3)C(=O)O2)cc1 ZINC000041154883 183178487 /nfs/dbraw/zinc/17/84/87/183178487.db2.gz YBXIGTWXCFKPJH-PEZBUJJGSA-N 0 0 308.362 3.685 50 0 DHAARN COc1ccc(C(=O)c2ccccc2)cc1NC(=O)C(C)(C)C ZINC000041365884 183186283 /nfs/dbraw/zinc/18/62/83/183186283.db2.gz WYKUFJGYLRKSDR-UHFFFAOYSA-N 0 0 311.381 3.911 50 0 DHAARN CN(CCc1ccncc1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000041500272 183194360 /nfs/dbraw/zinc/19/43/60/183194360.db2.gz IVVPOIGNFMUMEP-UHFFFAOYSA-N 0 0 316.832 3.714 50 0 DHAARN Cc1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cn1 ZINC000041896420 183224531 /nfs/dbraw/zinc/22/45/31/183224531.db2.gz DGRHFXGOAAUQCN-YVEFUNNKSA-N 0 0 310.397 3.911 50 0 DHAARN Cc1ccc(C)c([C@H]2CC(c3ccccc3)=Nc3ncnn32)c1 ZINC000102157073 193863687 /nfs/dbraw/zinc/86/36/87/193863687.db2.gz IMTDRMUSHSUGJF-GOSISDBHSA-N 0 0 302.381 3.951 50 0 DHAARN CC(=O)c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000042754638 183305325 /nfs/dbraw/zinc/30/53/25/183305325.db2.gz FVYOSRVIFOYFTP-MRXNPFEDSA-N 0 0 310.353 3.535 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc3cnccc32)no1 ZINC000043161212 183342059 /nfs/dbraw/zinc/34/20/59/183342059.db2.gz UYAMNEDZZDVYJR-KRWDZBQOSA-N 0 0 322.368 3.900 50 0 DHAARN O=C(Nc1cccc2ccccc21)N(C[C@@H]1CCOC1)C1CC1 ZINC000043157523 183342182 /nfs/dbraw/zinc/34/21/82/183342182.db2.gz AZLYOIVJSRZWEU-AWEZNQCLSA-N 0 0 310.397 3.873 50 0 DHAARN C[C@@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccncc1 ZINC000043185830 183343730 /nfs/dbraw/zinc/34/37/30/183343730.db2.gz DBWBNDZYVLWOFM-OCCSQVGLSA-N 0 0 301.415 3.751 50 0 DHAARN Cc1cccc(C(=O)c2ccccc2I)c1 ZINC000043210205 183344136 /nfs/dbraw/zinc/34/41/36/183344136.db2.gz JPNZHFPSYPVQIF-UHFFFAOYSA-N 0 0 322.145 3.831 50 0 DHAARN CC(=O)Nc1ccc(Sc2nccc(C(F)(F)F)n2)cc1 ZINC000043532478 183370486 /nfs/dbraw/zinc/37/04/86/183370486.db2.gz ZPQGILFIHWSBTK-UHFFFAOYSA-N 0 0 313.304 3.605 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000043574190 183372538 /nfs/dbraw/zinc/37/25/38/183372538.db2.gz GCYUXAAJMVQGKN-CZUORRHYSA-N 0 0 315.417 3.514 50 0 DHAARN CC(C)c1noc([C@@H](C)Nc2ccc3c(c2)OCCCO3)n1 ZINC000043801020 183386292 /nfs/dbraw/zinc/38/62/92/183386292.db2.gz RVDXTSHWOAUYAH-LLVKDONJSA-N 0 0 303.362 3.527 50 0 DHAARN CCCCn1nc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1Cl ZINC000044913594 183455998 /nfs/dbraw/zinc/45/59/98/183455998.db2.gz LUDYSCIMXLWMMU-LLVKDONJSA-N 0 0 323.824 3.599 50 0 DHAARN Fc1ccc(-c2nn3c(nnc3-c3ccco3)s2)c(F)c1F ZINC000044892361 183449356 /nfs/dbraw/zinc/44/93/56/183449356.db2.gz QMRRTGBHCIPTND-UHFFFAOYSA-N 0 0 322.271 3.530 50 0 DHAARN Cc1ccccc1CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000044893194 183449806 /nfs/dbraw/zinc/44/98/06/183449806.db2.gz 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Clc1cccc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)c1 ZINC000030824028 563438647 /nfs/dbraw/zinc/43/86/47/563438647.db2.gz WLXCIAUBBAPUAS-UHFFFAOYSA-N 0 0 314.728 3.828 50 0 DHAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(O)c1 ZINC000071185351 563442787 /nfs/dbraw/zinc/44/27/87/563442787.db2.gz HDDVKNDAEZKVIJ-ZDUSSCGKSA-N 0 0 309.365 3.901 50 0 DHAARN CCCCc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000068732632 563443035 /nfs/dbraw/zinc/44/30/35/563443035.db2.gz BETKBXCQMKFHSI-UHFFFAOYSA-N 0 0 307.390 3.969 50 0 DHAARN Cc1cc(Br)ccc1NC(=O)OCC(F)(F)F ZINC000032628879 563443549 /nfs/dbraw/zinc/44/35/49/563443549.db2.gz SEQJAMWBBYRUQA-UHFFFAOYSA-N 0 0 312.085 3.868 50 0 DHAARN COC(=O)c1ccc([C@@H]2SCC(=O)Nc3ccsc32)cc1 ZINC000071283160 563445284 /nfs/dbraw/zinc/44/52/84/563445284.db2.gz IGEYARBXXOARIC-ZDUSSCGKSA-N 0 0 319.407 3.959 50 0 DHAARN O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCCCC1 ZINC000000064662 563446698 /nfs/dbraw/zinc/44/66/98/563446698.db2.gz OVQBTCFUGSFJEN-UHFFFAOYSA-N 0 0 305.381 3.856 50 0 DHAARN O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccccc1 ZINC000002044545 563447948 /nfs/dbraw/zinc/44/79/48/563447948.db2.gz WKWXXBAPHABXEQ-HXUWFJFHSA-N 0 0 301.345 3.540 50 0 DHAARN CC(=O)Oc1ccc(Oc2ccc(-c3noc(C)n3)cc2)cc1 ZINC000000464287 563447990 /nfs/dbraw/zinc/44/79/90/563447990.db2.gz XXPNHKCKRZHLRE-UHFFFAOYSA-N 0 0 310.309 3.763 50 0 DHAARN CC(=O)OC[C@@]12CO[C@H](c3cccnc3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C ZINC000001189413 563448169 /nfs/dbraw/zinc/44/81/69/563448169.db2.gz LANFJOBBEPUSIU-CJBAZIHXSA-N 0 0 315.413 3.551 50 0 DHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1 ZINC000034781704 563451338 /nfs/dbraw/zinc/45/13/38/563451338.db2.gz GKTWGGQPFAXNFI-HNNXBMFYSA-N 0 0 321.829 3.674 50 0 aggregator,fda DHAARN CSc1ccc(CN(C)C(=O)c2ccc3nccnc3c2)cc1 ZINC000032966518 563451969 /nfs/dbraw/zinc/45/19/69/563451969.db2.gz ZEDNCLCFYZOEAC-UHFFFAOYSA-N 0 0 323.421 3.624 50 0 DHAARN CCCc1cc([C@@H]2CCCN2C(=O)NC2CCCCC2)no1 ZINC000035511321 563453238 /nfs/dbraw/zinc/45/32/38/563453238.db2.gz MUZHTUJTNVEWDI-INIZCTEOSA-N 0 0 305.422 3.806 50 0 DHAARN Cc1nc(-c2ccccn2)nc(NCc2ccco2)c1Cl ZINC000035606143 563453400 /nfs/dbraw/zinc/45/34/00/563453400.db2.gz AEKGNMVOTPOSID-UHFFFAOYSA-N 0 0 300.749 3.706 50 0 DHAARN O=C(c1cccs1)n1ccc(-c2nc3ccccc3s2)n1 ZINC000036047232 563454787 /nfs/dbraw/zinc/45/47/87/563454787.db2.gz WYRLAFDRMMIFBN-UHFFFAOYSA-N 0 0 311.391 3.910 50 0 DHAARN CCC(=O)Nc1cc(NC(=O)Cc2ccccc2C)ccc1C ZINC000036567469 563455420 /nfs/dbraw/zinc/45/54/20/563455420.db2.gz DDWMBYGZPYAQCY-UHFFFAOYSA-N 0 0 310.397 3.833 50 0 DHAARN Cc1cc(Br)c(I)cc1C ZINC000067796560 563457295 /nfs/dbraw/zinc/45/72/95/563457295.db2.gz CDCZOMODVGXNRV-UHFFFAOYSA-N 0 0 310.960 3.671 50 0 DHAARN O=C1CC(c2ccccc2)CC(=O)N1c1ccc(F)c(Cl)c1 ZINC000032985298 563458975 /nfs/dbraw/zinc/45/89/75/563458975.db2.gz BPLZITVBRZWDLF-UHFFFAOYSA-N 0 0 317.747 3.916 50 0 DHAARN CC(=O)Nc1cccc(OC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000032996075 563459500 /nfs/dbraw/zinc/45/95/00/563459500.db2.gz REEQEPQVFFIQPZ-UHFFFAOYSA-N 0 0 322.364 3.962 50 0 DHAARN CCOC(=O)c1ccc(Oc2ncnc3oc(C)c(C)c32)cc1 ZINC000032996735 563460355 /nfs/dbraw/zinc/46/03/55/563460355.db2.gz XVCJXVWVLPFDCG-UHFFFAOYSA-N 0 0 312.325 3.809 50 0 DHAARN COc1cc2nc(COc3ccc(C)c(C)c3)[nH]c2cc1OC ZINC000033004132 563461520 /nfs/dbraw/zinc/46/15/20/563461520.db2.gz RKBHOKAMHUGPLC-UHFFFAOYSA-N 0 0 312.369 3.776 50 0 biogenic DHAARN Cc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1 ZINC000045221572 563464800 /nfs/dbraw/zinc/46/48/00/563464800.db2.gz KNCPOFKVPWWDPL-UHFFFAOYSA-N 0 0 320.421 3.946 50 0 DHAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)C3CC3)ccc21 ZINC000033020504 563464960 /nfs/dbraw/zinc/46/49/60/563464960.db2.gz QXLDNECHWMREGE-UHFFFAOYSA-N 0 0 319.408 3.707 50 0 DHAARN CC(C)C(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000046220230 563465135 /nfs/dbraw/zinc/46/51/35/563465135.db2.gz RNTIXHBMCRRMKZ-UHFFFAOYSA-N 0 0 314.360 3.601 50 0 DHAARN O=C(CCCn1cncn1)Oc1ccc2oc3ccccc3c2c1 ZINC000071903727 563468179 /nfs/dbraw/zinc/46/81/79/563468179.db2.gz FOZOSZUUNZMTCM-UHFFFAOYSA-N 0 0 321.336 3.563 50 0 DHAARN Nc1n[nH]c(-c2ccc(Cl)s2)c1-c1ccc2c(c1)OCO2 ZINC000051172216 563468687 /nfs/dbraw/zinc/46/86/87/563468687.db2.gz AAXRTQLVSHNSMY-UHFFFAOYSA-N 0 0 319.773 3.770 50 0 DHAARN CCOCc1cccc(NC(=O)c2cccc(-n3ccnc3)c2)c1 ZINC000071910390 563468986 /nfs/dbraw/zinc/46/89/86/563468986.db2.gz FPMZGWVNSIEWHL-UHFFFAOYSA-N 0 0 321.380 3.661 50 0 DHAARN COCCN(Cc1cccs1)C(=O)c1cc(C)c(C)s1 ZINC000052843469 563469745 /nfs/dbraw/zinc/46/97/45/563469745.db2.gz RQAWCVYAJWHVSE-UHFFFAOYSA-N 0 0 309.456 3.715 50 0 DHAARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1F ZINC000053943995 563469754 /nfs/dbraw/zinc/46/97/54/563469754.db2.gz UZDCQLKJHRHIQN-UHFFFAOYSA-N 0 0 310.328 3.890 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)o1 ZINC000071916147 563469812 /nfs/dbraw/zinc/46/98/12/563469812.db2.gz IBYYDXCBTMSXRX-CYBMUJFWSA-N 0 0 318.348 3.570 50 0 DHAARN CCOc1cccc(CN(C(=O)c2ccccc2O)C2CC2)c1 ZINC000055053055 563471175 /nfs/dbraw/zinc/47/11/75/563471175.db2.gz ISDDWQDETNUSNK-UHFFFAOYSA-N 0 0 311.381 3.596 50 0 DHAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)NC[C@H]1CCCO1 ZINC000055154780 563471824 /nfs/dbraw/zinc/47/18/24/563471824.db2.gz MMIVFHQVNBNFBW-GFCCVEGCSA-N 0 0 319.788 3.817 50 0 DHAARN CC[C@H](C)N(Cc1ccncc1)C(=O)COc1ccccc1C ZINC000055167299 563472037 /nfs/dbraw/zinc/47/20/37/563472037.db2.gz AKPONSGXCARPCF-INIZCTEOSA-N 0 0 312.413 3.596 50 0 DHAARN CCC[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1cccs1 ZINC000055183374 563472639 /nfs/dbraw/zinc/47/26/39/563472639.db2.gz XPTRSQONVMALBC-CQSZACIVSA-N 0 0 322.474 3.545 50 0 DHAARN CCCC(=O)Nc1cccc(C(=O)N(CCC)CC2CC2)c1 ZINC000055413414 563475100 /nfs/dbraw/zinc/47/51/00/563475100.db2.gz ZUCNDMCIBDWVAQ-UHFFFAOYSA-N 0 0 302.418 3.687 50 0 DHAARN C[C@H](Cc1ccncc1)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055385777 563475261 /nfs/dbraw/zinc/47/52/61/563475261.db2.gz SCTJPMYIXIUAJV-RRCMXIFQSA-N 0 0 312.457 3.735 50 0 DHAARN Cc1cnccc1CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055392863 563475581 /nfs/dbraw/zinc/47/55/81/563475581.db2.gz WUAAJCVJNUQVIO-UHFFFAOYSA-N 0 0 312.457 3.955 50 0 DHAARN Cc1cccc(OCCSCC(=O)NC2CCCCC2)c1 ZINC000033047537 563476237 /nfs/dbraw/zinc/47/62/37/563476237.db2.gz JNBKKPJVXOXIIQ-UHFFFAOYSA-N 0 0 307.459 3.556 50 0 DHAARN Fc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000055542915 563476554 /nfs/dbraw/zinc/47/65/54/563476554.db2.gz YOZLJRNFLZGCSE-UHFFFAOYSA-N 0 0 322.786 3.940 50 0 DHAARN Cc1cccn2cc(COCc3nc4ccccc4s3)nc12 ZINC000004625908 563478027 /nfs/dbraw/zinc/47/80/27/563478027.db2.gz HOKOGZSNPHXPJX-UHFFFAOYSA-N 0 0 309.394 3.969 50 0 DHAARN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)n2ccnc2)o1 ZINC000096417136 563480801 /nfs/dbraw/zinc/48/08/01/563480801.db2.gz TXVMRJFHZNSKOD-HOCLYGCPSA-N 0 0 315.417 3.743 50 0 DHAARN Cc1ccc(C[C@@H](C)NC(=O)N(C)[C@H](C)c2ccccn2)s1 ZINC000096415584 563480962 /nfs/dbraw/zinc/48/09/62/563480962.db2.gz XONAYBRHUURQFK-TZMCWYRMSA-N 0 0 317.458 3.785 50 0 DHAARN Cc1cnn(Cc2nnc(-c3c(Cl)cccc3Cl)o2)c1 ZINC000096428974 563481345 /nfs/dbraw/zinc/48/13/45/563481345.db2.gz UIFCMHIMCWEJQT-UHFFFAOYSA-N 0 0 309.156 3.597 50 0 DHAARN Cc1cc(C)cc(OCC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000011207234 563481555 /nfs/dbraw/zinc/48/15/55/563481555.db2.gz UCCWNZXKRFBFFW-HXUWFJFHSA-N 0 0 309.409 3.950 50 0 DHAARN Cc1cnn(Cc2ncc(-c3ccccc3Br)o2)c1 ZINC000096428968 563481609 /nfs/dbraw/zinc/48/16/09/563481609.db2.gz NUOLFPPNYDGCKA-UHFFFAOYSA-N 0 0 318.174 3.657 50 0 DHAARN C[C@H](C(=O)Nc1ccc(OC2CCCC2)c(F)c1)n1ccnc1 ZINC000096426873 563481649 /nfs/dbraw/zinc/48/16/49/563481649.db2.gz BIHVUDANBHBMCF-GFCCVEGCSA-N 0 0 317.364 3.543 50 0 DHAARN CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000096433211 563482316 /nfs/dbraw/zinc/48/23/16/563482316.db2.gz MSPMRWJZKDXZPG-UHFFFAOYSA-N 0 0 322.368 3.651 50 0 DHAARN Cc1csc(C2(NC(=O)CC[C@H]3CC[C@H](C)O3)CCCC2)n1 ZINC000096441085 563482443 /nfs/dbraw/zinc/48/24/43/563482443.db2.gz MDFNKEQASVEHRL-UONOGXRCSA-N 0 0 322.474 3.685 50 0 DHAARN Cc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)on1 ZINC000096448317 563482819 /nfs/dbraw/zinc/48/28/19/563482819.db2.gz FNDBVRFGYZKXPO-UHFFFAOYSA-N 0 0 304.349 3.825 50 0 DHAARN Cc1ncsc1COC(=O)c1ncoc1-c1ccc(C)cc1 ZINC000096441906 563483009 /nfs/dbraw/zinc/48/30/09/563483009.db2.gz OQLHGJBQWPZQGG-UHFFFAOYSA-N 0 0 314.366 3.772 50 0 DHAARN Fc1ccc2oc(COc3nnc(-c4ccccc4)o3)nc2c1 ZINC000096465938 563483474 /nfs/dbraw/zinc/48/34/74/563483474.db2.gz MHIWCCPIAMWWRF-UHFFFAOYSA-N 0 0 311.272 3.596 50 0 DHAARN CC1(C)C[C@H](NC(=O)CCCc2ccccn2)c2ccccc2O1 ZINC000096473537 563483626 /nfs/dbraw/zinc/48/36/26/563483626.db2.gz PVGADNCWDOEIBN-KRWDZBQOSA-N 0 0 324.424 3.823 50 0 DHAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NC1CC1 ZINC000033059926 563483704 /nfs/dbraw/zinc/48/37/04/563483704.db2.gz NAYIYPQPETZOGB-UHFFFAOYSA-N 0 0 311.410 3.596 50 0 DHAARN OCCc1ccc(NCc2csc(-c3ccco3)n2)cc1 ZINC000096461402 563483870 /nfs/dbraw/zinc/48/38/70/563483870.db2.gz RKZPFZSFKPLPIA-UHFFFAOYSA-N 0 0 300.383 3.550 50 0 DHAARN Cc1oc(C2CCC2)nc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000097945197 563486013 /nfs/dbraw/zinc/48/60/13/563486013.db2.gz JDQLZWDGUXPVLH-UHFFFAOYSA-N 0 0 323.396 3.704 50 0 DHAARN CC(C)n1c2cnccc2nc(Nc2cccc(Cl)c2)c1=O ZINC000097945125 563486709 /nfs/dbraw/zinc/48/67/09/563486709.db2.gz VVJOCEFVLDTTGO-UHFFFAOYSA-N 0 0 314.776 3.769 50 0 DHAARN CCS(=O)(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000064983960 563486888 /nfs/dbraw/zinc/48/68/88/563486888.db2.gz JZOCBTVOLGJROM-AWEZNQCLSA-N 0 0 301.839 3.607 50 0 DHAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2OC)on1 ZINC000064985089 563486938 /nfs/dbraw/zinc/48/69/38/563486938.db2.gz KOSMVTKSEFKMCJ-CQSZACIVSA-N 0 0 315.373 3.615 50 0 DHAARN CCc1nccn1Cc1nc(-c2ccc(OC)cc2F)oc1C ZINC000067740292 563489844 /nfs/dbraw/zinc/48/98/44/563489844.db2.gz QDAKCVKTUMAJJI-UHFFFAOYSA-N 0 0 315.348 3.605 50 0 DHAARN Cc1ccc(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)nn1 ZINC000067741527 563489890 /nfs/dbraw/zinc/48/98/90/563489890.db2.gz DREBXKMPTPEHKO-UHFFFAOYSA-N 0 0 319.412 3.559 50 0 DHAARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(c3cnccn3)C2)cc1 ZINC000067856526 563492044 /nfs/dbraw/zinc/49/20/44/563492044.db2.gz DVNORQAFAOFLDP-MRXNPFEDSA-N 0 0 319.412 3.559 50 0 DHAARN CC(C)c1noc([C@@H]2CCCN2Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000067846903 563492394 /nfs/dbraw/zinc/49/23/94/563492394.db2.gz KJXYLYKLBMTVJK-ZDUSSCGKSA-N 0 0 317.437 3.551 50 0 DHAARN Oc1cccc(-c2cn(CCCn3ccc4ccccc43)nn2)c1 ZINC000067854898 563492555 /nfs/dbraw/zinc/49/25/55/563492555.db2.gz QMAQORRXOKHCEA-UHFFFAOYSA-N 0 0 318.380 3.696 50 0 DHAARN CN(Cc1ccccc1)c1ncccc1CNc1ncccc1F ZINC000067880500 563493085 /nfs/dbraw/zinc/49/30/85/563493085.db2.gz QFNLLHSVYWFZLU-UHFFFAOYSA-N 0 0 322.387 3.864 50 0 DHAARN CN(CCn1ccc2ccccc21)C(=O)c1onc2ccccc21 ZINC000067885957 563493569 /nfs/dbraw/zinc/49/35/69/563493569.db2.gz XOWBZUINEJABHV-UHFFFAOYSA-N 0 0 319.364 3.555 50 0 DHAARN CCOc1ncccc1-c1ccc(NC(C)=O)c2ncccc12 ZINC000067946998 563494253 /nfs/dbraw/zinc/49/42/53/563494253.db2.gz XUSDOEROIKDQLO-UHFFFAOYSA-N 0 0 307.353 3.654 50 0 DHAARN C[C@@H](c1nccs1)n1ccnc1-c1ccc(-n2cccn2)cc1 ZINC000067982796 563494931 /nfs/dbraw/zinc/49/49/31/563494931.db2.gz SLFJEVODOQXEDE-ZDUSSCGKSA-N 0 0 321.409 3.802 50 0 DHAARN Cc1nc([C@@H](C)N(C)Cc2ccnc(C(C)C)n2)c(C)s1 ZINC000071762218 563500294 /nfs/dbraw/zinc/50/02/94/563500294.db2.gz QILLMBHCNLFYCM-LLVKDONJSA-N 0 0 304.463 3.866 50 0 DHAARN COc1cccc(Nc2nc(N)c(C(=O)CC(C)C)s2)c1 ZINC000033251608 563502146 /nfs/dbraw/zinc/50/21/46/563502146.db2.gz ZFVRRYQLLATSLY-UHFFFAOYSA-N 0 0 305.403 3.706 50 0 DHAARN CCc1nc(-c2ccc(C(=O)Nc3ccccc3C)cc2)no1 ZINC000033254221 563502200 /nfs/dbraw/zinc/50/22/00/563502200.db2.gz AJBSLQOGFSOYGS-UHFFFAOYSA-N 0 0 307.353 3.860 50 0 DHAARN C[C@@H](Cc1cccnc1)OC(=O)Cc1cccc2ccccc21 ZINC000097034380 563504579 /nfs/dbraw/zinc/50/45/79/563504579.db2.gz FORDOPBOGMAKQZ-HNNXBMFYSA-N 0 0 305.377 3.952 50 0 DHAARN COc1cc(F)cc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1 ZINC000097113392 563506135 /nfs/dbraw/zinc/50/61/35/563506135.db2.gz OIJVFABYAVLGNU-SECBINFHSA-N 0 0 323.393 3.524 50 0 DHAARN C[C@H]1CCCN(C(=O)CSc2nncs2)c2ccccc21 ZINC000097112051 563506345 /nfs/dbraw/zinc/50/63/45/563506345.db2.gz AXMBAQVLEFNNJT-NSHDSACASA-N 0 0 319.455 3.561 50 0 DHAARN Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(C)n1)CCC2 ZINC000097142685 563506586 /nfs/dbraw/zinc/50/65/86/563506586.db2.gz NULPKPGORSLMBM-CYBMUJFWSA-N 0 0 316.430 3.696 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccsc1 ZINC000097147341 563506681 /nfs/dbraw/zinc/50/66/81/563506681.db2.gz YMDHKGVRQXSIFZ-NSHDSACASA-N 0 0 320.462 3.568 50 0 DHAARN O=C(Nc1cccc(-c2cn[nH]c2)c1)N1Cc2ccccc2C1 ZINC000097161813 563507785 /nfs/dbraw/zinc/50/77/85/563507785.db2.gz FILWNXCCLRDURZ-UHFFFAOYSA-N 0 0 304.353 3.624 50 0 DHAARN O=C(COc1ccc(Br)cc1)Nc1cccc(F)c1 ZINC000000037568 563507860 /nfs/dbraw/zinc/50/78/60/563507860.db2.gz JMARIICPXRKFBI-UHFFFAOYSA-N 0 0 324.149 3.606 50 0 DHAARN COc1cccc([C@H]2CCCN2C(=O)CSCC2CC2)c1 ZINC000077355392 563508910 /nfs/dbraw/zinc/50/89/10/563508910.db2.gz GYOAYOWTDLPZLY-MRXNPFEDSA-N 0 0 305.443 3.502 50 0 DHAARN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1C ZINC000077408456 563510070 /nfs/dbraw/zinc/51/00/70/563510070.db2.gz UMAPVVFDNMWHKW-INIZCTEOSA-N 0 0 315.392 3.787 50 0 DHAARN Clc1ccc(-c2nccn2CC2(Cn3cccn3)CC2)s1 ZINC000077408313 563510122 /nfs/dbraw/zinc/51/01/22/563510122.db2.gz QFDYHXAOAKAVMI-UHFFFAOYSA-N 0 0 318.833 3.942 50 0 DHAARN CCc1ccc2nc(C)cc(C(=O)NCCCSC)c2c1 ZINC000077436401 563510172 /nfs/dbraw/zinc/51/01/72/563510172.db2.gz STJZGJRYHFTSPH-UHFFFAOYSA-N 0 0 302.443 3.589 50 0 DHAARN O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1c1cccnc1 ZINC000078568121 563513854 /nfs/dbraw/zinc/51/38/54/563513854.db2.gz PIZRKPGZJUPXBK-HNNXBMFYSA-N 0 0 312.438 3.999 50 0 DHAARN O=C(OCc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000052889 563513904 /nfs/dbraw/zinc/51/39/04/563513904.db2.gz WPRCHQQUYWUWBB-UHFFFAOYSA-N 0 0 306.365 3.863 50 0 DHAARN NC(=O)c1cccc(Oc2ccc(NCc3cccnc3)cc2)c1 ZINC000097235396 563514409 /nfs/dbraw/zinc/51/44/09/563514409.db2.gz VAKMITZHZUGTJL-UHFFFAOYSA-N 0 0 319.364 3.585 50 0 DHAARN C[C@@H](CCc1ccco1)Nc1cccc(N2CCCNC2=O)c1 ZINC000097232162 563514635 /nfs/dbraw/zinc/51/46/35/563514635.db2.gz HWXKEGKBQHZMIV-AWEZNQCLSA-N 0 0 313.401 3.633 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(C(C)C)on2)on1 ZINC000033269983 563517716 /nfs/dbraw/zinc/51/77/16/563517716.db2.gz NRBRYTNJRXPCGJ-AWEZNQCLSA-N 0 0 317.389 3.887 50 0 DHAARN Cc1csc(CN(C)C(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000097232814 563519125 /nfs/dbraw/zinc/51/91/25/563519125.db2.gz CJQLQPPIDXHYHS-UHFFFAOYSA-N 0 0 316.760 3.655 50 0 DHAARN CCCCCN(Cc1ccc(F)cc1)C(=O)C1CCOCC1 ZINC000060683522 563519177 /nfs/dbraw/zinc/51/91/77/563519177.db2.gz QPZPREYSCKGCOZ-UHFFFAOYSA-N 0 0 307.409 3.771 50 0 DHAARN CC(=O)N[C@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000085477129 563521304 /nfs/dbraw/zinc/52/13/04/563521304.db2.gz LJEBZIVNLTYBSP-OAHLLOKOSA-N 0 0 322.177 3.814 50 0 DHAARN COc1ccccc1CNC(=O)C1=Cc2cc(C)ccc2OC=C1 ZINC000033321280 563521487 /nfs/dbraw/zinc/52/14/87/563521487.db2.gz MTJDFADXQODINU-UHFFFAOYSA-N 0 0 321.376 3.610 50 0 DHAARN COc1ccc(C(C)=O)cc1CC(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000098071021 563523449 /nfs/dbraw/zinc/52/34/49/563523449.db2.gz BDTVYZAXILILRO-MLGOLLRUSA-N 0 0 304.386 3.562 50 0 DHAARN Cc1cccc(Nc2ccccc2C(=O)N2CCO[C@H](C)C2)c1C ZINC000011495550 563527714 /nfs/dbraw/zinc/52/77/14/563527714.db2.gz BZOYFZNFDGYGBX-OAHLLOKOSA-N 0 0 324.424 3.908 50 0 DHAARN CCCc1nnc(NCc2ccc(C(F)(F)F)cc2F)o1 ZINC000095382826 563529529 /nfs/dbraw/zinc/52/95/29/563529529.db2.gz PDXJFQAICFHEPE-UHFFFAOYSA-N 0 0 303.259 3.792 50 0 DHAARN CCSc1ccccc1NC(=O)N(CC)CCn1cccn1 ZINC000096142216 563533996 /nfs/dbraw/zinc/53/39/96/563533996.db2.gz KHYRAROJBPDILV-UHFFFAOYSA-N 0 0 318.446 3.549 50 0 DHAARN Cc1cc(C)c(NC(=O)NCCC[C@@H]2CCOC2)c(Cl)c1 ZINC000096139580 563534002 /nfs/dbraw/zinc/53/40/02/563534002.db2.gz JHMNIEGISFMMGX-CYBMUJFWSA-N 0 0 310.825 3.895 50 0 DHAARN CCCOc1ccccc1[C@@H](C)NC(=O)c1csc(C)n1 ZINC000096141798 563534120 /nfs/dbraw/zinc/53/41/20/563534120.db2.gz QKZFQUYWUUPFQZ-LLVKDONJSA-N 0 0 304.415 3.731 50 0 DHAARN COc1cc(-c2ccccc2-c2nnc(C)o2)c(Cl)cn1 ZINC000096163716 563534697 /nfs/dbraw/zinc/53/46/97/563534697.db2.gz MDFUTJKFCDFRTO-UHFFFAOYSA-N 0 0 301.733 3.769 50 0 DHAARN Fc1ccc(-c2cccc(CN3CCOCC3)c2)c(Cl)c1 ZINC000096164097 563534772 /nfs/dbraw/zinc/53/47/72/563534772.db2.gz LZGBXXUYCURORX-UHFFFAOYSA-N 0 0 305.780 3.978 50 0 DHAARN CCN(CC1CCOCC1)C(=O)Nc1cc(C)ccc1Cl ZINC000096160602 563534881 /nfs/dbraw/zinc/53/48/81/563534881.db2.gz RCLZOGGLRBOQNM-UHFFFAOYSA-N 0 0 310.825 3.929 50 0 DHAARN c1c2ccccc2oc1-c1nnc2sc(-c3cccnc3)nn21 ZINC000096194001 563535632 /nfs/dbraw/zinc/53/56/32/563535632.db2.gz XKODNVVJBJZCEB-UHFFFAOYSA-N 0 0 319.349 3.661 50 0 DHAARN CC(C)n1cc(C(=O)N(Cc2ccccc2)CC2CCC2)cn1 ZINC000097088065 563537568 /nfs/dbraw/zinc/53/75/68/563537568.db2.gz JRIBPORNZYTJGZ-UHFFFAOYSA-N 0 0 311.429 3.907 50 0 DHAARN Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c(C)o1 ZINC000176225054 563537688 /nfs/dbraw/zinc/53/76/88/563537688.db2.gz IETXXHXVQSCFAN-DZGCQCFKSA-N 0 0 319.426 3.686 50 0 DHAARN O=C(CCc1ccncc1)N(Cc1cccnc1)C1CCCCC1 ZINC000097288889 563538595 /nfs/dbraw/zinc/53/85/95/563538595.db2.gz LIMJBWVNQXRCLT-UHFFFAOYSA-N 0 0 323.440 3.771 50 0 DHAARN COP(=O)(OC)[C@H](/C=C(\Cl)c1ccccc1)N(C)C ZINC000033376626 563538628 /nfs/dbraw/zinc/53/86/28/563538628.db2.gz BYTZWWDLTWSOGT-KXXVWKPMSA-N 0 0 303.726 3.640 50 0 DHAARN CCN(C(=O)Nc1ccc(F)cc1C)[C@@H]1CCOC(C)(C)C1 ZINC000097413235 563539507 /nfs/dbraw/zinc/53/95/07/563539507.db2.gz XBLPCERPSHVVHW-CQSZACIVSA-N 0 0 308.397 3.946 50 0 DHAARN CCc1ccc(-c2ncccc2C(=O)N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000097514317 563539659 /nfs/dbraw/zinc/53/96/59/563539659.db2.gz DWFLEZOJRKSDQO-DOTOQJQBSA-N 0 0 306.409 3.936 50 0 DHAARN CCCOc1ccccc1CNc1nccc(-c2ccccn2)n1 ZINC000097819604 563542481 /nfs/dbraw/zinc/54/24/81/563542481.db2.gz UIUCQDKIHZNAJS-UHFFFAOYSA-N 0 0 320.396 3.940 50 0 DHAARN Clc1nss/c1=N\c1ccc(Br)cc1 ZINC000100149415 563546947 /nfs/dbraw/zinc/54/69/47/563546947.db2.gz LJAVWPXZZIDCAS-FLIBITNWSA-N 0 0 307.625 3.853 50 0 DHAARN Fc1ccc(NC=Cc2nnnn2-c2ccccc2)cc1Cl ZINC000100209693 563547909 /nfs/dbraw/zinc/54/79/09/563547909.db2.gz YXJUFWJUXDZLIK-CMDGGOBGSA-N 0 0 315.739 3.538 50 0 DHAARN C[S@](=N)(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000100216511 563547971 /nfs/dbraw/zinc/54/79/71/563547971.db2.gz QKEDFTVVJORXSK-FQEVSTJZSA-N 0 0 309.774 3.595 50 0 DHAARN Cc1cc(Cl)ccc1N1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000101724791 563558128 /nfs/dbraw/zinc/55/81/28/563558128.db2.gz DCDKOXKFGLOBNY-OKILXGFUSA-N 0 0 303.789 3.884 50 0 DHAARN COc1cc(N[C@@H]2OC(=O)c3ccccc32)c(OC)cc1Cl ZINC000000100217 563558628 /nfs/dbraw/zinc/55/86/28/563558628.db2.gz JMJLOFCOIZQUDO-OAHLLOKOSA-N 0 0 319.744 3.638 50 0 DHAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CCCC1=C1CCC[C@H]12 ZINC000103992318 563561719 /nfs/dbraw/zinc/56/17/19/563561719.db2.gz IXKILPKLNITMJR-BRSBDYLESA-N 0 0 307.393 3.703 50 0 DHAARN O=C(CSCc1ccccc1Cl)NCc1cccs1 ZINC000000262814 563583093 /nfs/dbraw/zinc/58/30/93/563583093.db2.gz VLDVHRODFYVCAZ-UHFFFAOYSA-N 0 0 311.859 3.951 50 0 DHAARN COC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000000132297 563572036 /nfs/dbraw/zinc/57/20/36/563572036.db2.gz INSPSYOIWBCDKX-UHFFFAOYSA-N 0 0 316.407 3.623 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000000131848 563572143 /nfs/dbraw/zinc/57/21/43/563572143.db2.gz WGBOLVMAKGNDBT-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN CCc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 ZINC000000133336 563572270 /nfs/dbraw/zinc/57/22/70/563572270.db2.gz FRPZANYOFAJXJE-UHFFFAOYSA-N 0 0 323.421 3.871 50 0 DHAARN COc1ccc2c(C)c(-c3ccc4c(c3)OCCO4)c(=O)oc2c1 ZINC000000138789 563572638 /nfs/dbraw/zinc/57/26/38/563572638.db2.gz NINIQAZQMCSTAI-UHFFFAOYSA-N 0 0 324.332 3.548 50 0 biogenic DHAARN Cc1ccc(CON=c2c(C)nc3ccccc3nc2C)cc1 ZINC000000141533 563572774 /nfs/dbraw/zinc/57/27/74/563572774.db2.gz KXONTEZRDWBFPA-UHFFFAOYSA-N 0 0 305.381 3.588 50 0 DHAARN O=C(Nc1nccs1)c1cc(Br)ccc1Cl ZINC000000177914 563575267 /nfs/dbraw/zinc/57/52/67/563575267.db2.gz HQMWNLQPNICEDN-UHFFFAOYSA-N 0 0 317.595 3.811 50 0 DHAARN O=C(NCc1ccncc1)C1c2ccccc2Oc2ccccc21 ZINC000000183854 563576017 /nfs/dbraw/zinc/57/60/17/563576017.db2.gz ZWSKECCMDHHLAV-UHFFFAOYSA-N 0 0 316.360 3.636 50 0 DHAARN Cc1nnc(SCC(=O)Nc2ccccc2)c2ccccc12 ZINC000000188627 563576057 /nfs/dbraw/zinc/57/60/57/563576057.db2.gz YQWVBSSKUDHRAD-UHFFFAOYSA-N 0 0 309.394 3.669 50 0 DHAARN C[C@H]1CCc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2C1 ZINC000000189363 563576105 /nfs/dbraw/zinc/57/61/05/563576105.db2.gz APFDZGGENIGECX-NSHDSACASA-N 0 0 315.442 3.586 50 0 DHAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1c1cccc(O)c1 ZINC000000187537 563576123 /nfs/dbraw/zinc/57/61/23/563576123.db2.gz RKACAJLMSVZBNK-UHFFFAOYSA-N 0 0 323.735 3.999 50 0 DHAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(N)=O)cc1 ZINC000000197553 563577376 /nfs/dbraw/zinc/57/73/76/563577376.db2.gz LKTZTXZTVJBEMU-JZJYNLBNSA-N 0 0 312.756 3.726 50 0 DHAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C ZINC000000200830 563578075 /nfs/dbraw/zinc/57/80/75/563578075.db2.gz NMNOHVGBGDTDSK-OAHLLOKOSA-N 0 0 321.424 3.980 50 0 DHAARN CC(=O)c1sc(NC(=O)Nc2ccccc2Cl)nc1C ZINC000028226061 563578439 /nfs/dbraw/zinc/57/84/39/563578439.db2.gz LQBUKQDLEJCROU-UHFFFAOYSA-N 0 0 309.778 3.952 50 0 DHAARN Cc1nc2ccc(C(=O)NCCC3=CCCCC3)cc2nc1C ZINC000000216141 563578666 /nfs/dbraw/zinc/57/86/66/563578666.db2.gz RKKFYYQYCIFCDH-UHFFFAOYSA-N 0 0 309.413 3.867 50 0 DHAARN Cc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1 ZINC000000216252 563578676 /nfs/dbraw/zinc/57/86/76/563578676.db2.gz YQNOQZALLOQMPY-UHFFFAOYSA-N 0 0 319.408 3.960 50 0 in-vitro DHAARN CCc1ccc(C(=O)Cc2cc3cccc(OC)c3oc2=O)cc1 ZINC000000216815 563578812 /nfs/dbraw/zinc/57/88/12/563578812.db2.gz PCCYDLNWGBBDNM-UHFFFAOYSA-N 0 0 322.360 3.789 50 0 DHAARN Fc1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 ZINC000000221835 563579107 /nfs/dbraw/zinc/57/91/07/563579107.db2.gz JCBBNHRCHPMKOX-CHWSQXEVSA-N 0 0 300.362 3.625 50 0 DHAARN Clc1ccccc1[C@@H]1C[C@H](c2cccs2)Nc2nnnn21 ZINC000000222722 563579126 /nfs/dbraw/zinc/57/91/26/563579126.db2.gz QRBVEGDPUGNFJT-NEPJUHHUSA-N 0 0 317.805 3.534 50 0 DHAARN Fc1ccccc1[C@H]1C[C@H](c2cccs2)Nc2ncnn21 ZINC000000221829 563579425 /nfs/dbraw/zinc/57/94/25/563579425.db2.gz IBZIVOPVAKSJKU-CHWSQXEVSA-N 0 0 300.362 3.625 50 0 DHAARN CCc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(O)c2c1 ZINC000000248771 563581817 /nfs/dbraw/zinc/58/18/17/563581817.db2.gz LABSXPQPPGNCNE-UHFFFAOYSA-N 0 0 305.377 3.938 50 0 DHAARN O=C(Nc1ccc2snnc2c1)N1CC[C@H](c2ccccc2)C1 ZINC000000254526 563582321 /nfs/dbraw/zinc/58/23/21/563582321.db2.gz KQVUDAXPLHBDKQ-ZDUSSCGKSA-N 0 0 324.409 3.713 50 0 DHAARN CCCN1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C ZINC000000262606 563583205 /nfs/dbraw/zinc/58/32/05/563583205.db2.gz LWVFZEKTMULTGS-INIZCTEOSA-N 0 0 310.825 3.869 50 0 DHAARN O=C(/C=C/c1cscn1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000050343312 563584584 /nfs/dbraw/zinc/58/45/84/563584584.db2.gz URVHSZKSJPLPEL-ZRFDWSJLSA-N 0 0 304.802 3.613 50 0 DHAARN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccccc1 ZINC000000323163 563587947 /nfs/dbraw/zinc/58/79/47/563587947.db2.gz QMVOVIVYPUFDEL-IEBWSBKVSA-N 0 0 321.424 3.835 50 0 biogenic DHAARN C[C@H](NC(=O)CCCOc1ccccc1Cl)c1ccncc1 ZINC000050551678 563589107 /nfs/dbraw/zinc/58/91/07/563589107.db2.gz ACLTXAJAJJMHCX-ZDUSSCGKSA-N 0 0 318.804 3.771 50 0 DHAARN CN(C(=O)Cc1[nH]nc2ccccc21)c1ccc2ccccc2c1 ZINC000050557993 563589328 /nfs/dbraw/zinc/58/93/28/563589328.db2.gz KQARLJDRJXKVSL-UHFFFAOYSA-N 0 0 315.376 3.922 50 0 DHAARN Brc1ccc(-c2nnc(-c3cccnc3)o2)cc1 ZINC000000341521 563589657 /nfs/dbraw/zinc/58/96/57/563589657.db2.gz JXPUAIXZGXPOTO-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN Cc1ccc(O)c(C(=O)c2cnc3c(c2)COc2ccccc2-3)c1 ZINC000000366902 563590808 /nfs/dbraw/zinc/59/08/08/563590808.db2.gz FZJFVIYSBBBFGW-UHFFFAOYSA-N 0 0 317.344 3.886 50 0 DHAARN COc1cc(Cl)c(NC(=O)CCc2ccccc2)cc1OC ZINC000000387909 563595232 /nfs/dbraw/zinc/59/52/32/563595232.db2.gz FLAWBAMEPNTUTG-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)NCCCc1ccccc1 ZINC000004997045 563595768 /nfs/dbraw/zinc/59/57/68/563595768.db2.gz REEJQVHCFLDPAS-UHFFFAOYSA-N 0 0 317.816 3.776 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000247910260 563596366 /nfs/dbraw/zinc/59/63/66/563596366.db2.gz DFPCUBSLWAHWGF-HZSPNIEDSA-N 0 0 320.458 3.795 50 0 DHAARN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccccc3)cnc21 ZINC000011763286 563598822 /nfs/dbraw/zinc/59/88/22/563598822.db2.gz LGGORRZBHZIEBZ-ZDUSSCGKSA-N 0 0 308.385 3.503 50 0 DHAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(N(C)C)c1 ZINC000011770797 563599012 /nfs/dbraw/zinc/59/90/12/563599012.db2.gz XRGGHOXWXLLUCW-UHFFFAOYSA-N 0 0 323.440 3.914 50 0 DHAARN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C)sc2C)C1 ZINC000069920434 563600487 /nfs/dbraw/zinc/60/04/87/563600487.db2.gz OBBZCPWXRVDTFL-CQSZACIVSA-N 0 0 317.458 3.601 50 0 DHAARN O=C(Oc1ccc(/C=C/c2ccccn2)cc1)c1ccncc1 ZINC000011858947 563600701 /nfs/dbraw/zinc/60/07/01/563600701.db2.gz CCHCMTFQYCXECV-QPJJXVBHSA-N 0 0 302.333 3.866 50 0 DHAARN Cc1nc(-c2cccs2)c(CC(=O)NCc2ccco2)s1 ZINC000011905897 563601258 /nfs/dbraw/zinc/60/12/58/563601258.db2.gz CSHMEKSQNWMPLP-UHFFFAOYSA-N 0 0 318.423 3.632 50 0 DHAARN CCOc1ccc(Nc2nc(SC)nc3c2CCC3)cc1 ZINC000011907796 563601475 /nfs/dbraw/zinc/60/14/75/563601475.db2.gz ZMQCVHMKEMVBPD-UHFFFAOYSA-N 0 0 301.415 3.830 50 0 DHAARN COc1ccc(NC(=O)N[C@H]2CCCc3sccc32)c(C)n1 ZINC000126471712 563602361 /nfs/dbraw/zinc/60/23/61/563602361.db2.gz GTRLOYTXTGUMAL-ZDUSSCGKSA-N 0 0 317.414 3.659 50 0 DHAARN Cc1cc(S[C@H](C)C(=O)Nc2ccccc2Cl)nc(C)n1 ZINC000012017007 563603358 /nfs/dbraw/zinc/60/33/58/563603358.db2.gz SKPQJMUCRZBYCW-SNVBAGLBSA-N 0 0 321.833 3.866 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2cc(C)ncn2)c(C)c1 ZINC000012016724 563603740 /nfs/dbraw/zinc/60/37/40/563603740.db2.gz TYUPBSZVEWFMHQ-CQSZACIVSA-N 0 0 315.442 3.830 50 0 DHAARN Cc1cc(F)ccc1-c1ccc(CNc2cnccc2CO)o1 ZINC000127673786 563604293 /nfs/dbraw/zinc/60/42/93/563604293.db2.gz SAYRRMMBENJYPI-UHFFFAOYSA-N 0 0 312.344 3.894 50 0 DHAARN Cc1cnc(CN(C)[C@@H](c2cccc(F)c2)c2ccccn2)o1 ZINC000072606849 563604450 /nfs/dbraw/zinc/60/44/50/563604450.db2.gz DRXHULBRZKRBGN-SFHVURJKSA-N 0 0 311.360 3.739 50 0 DHAARN CCOC(=O)C(CC)(C[C@@H](C)c1ccccc1)C(=O)OCC ZINC000002035523 563606172 /nfs/dbraw/zinc/60/61/72/563606172.db2.gz SDJQKYKCBPBNGB-CQSZACIVSA-N 0 0 306.402 3.703 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc2[nH]cnc2c1 ZINC000075478854 563606183 /nfs/dbraw/zinc/60/61/83/563606183.db2.gz ZOVUKYSMGJITFQ-HNNXBMFYSA-N 0 0 321.424 3.633 50 0 DHAARN O=C(c1noc2c1CCCC2)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000252550614 563610794 /nfs/dbraw/zinc/61/07/94/563610794.db2.gz SVJJAVSJOMGZCU-HIFRSBDPSA-N 0 0 302.418 3.738 50 0 DHAARN COc1ccc2nc3oc(C(=O)NCc4ccco4)cc3cc2c1 ZINC000000429098 563612782 /nfs/dbraw/zinc/61/27/82/563612782.db2.gz HWZFJDGPFRCAEG-UHFFFAOYSA-N 0 0 322.320 3.513 50 0 DHAARN CCOc1ccccc1/C=C1/N=C(c2ccc(F)cc2)OC1=O ZINC000000430183 563613702 /nfs/dbraw/zinc/61/37/02/563613702.db2.gz KEPVTCUHXJVXCQ-RVDMUPIBSA-N 0 0 311.312 3.569 50 0 DHAARN Cn1cc([C@H](N[C@H]2CCC[C@H](C3CC3)C2)C(F)(F)F)cn1 ZINC000253427750 563613727 /nfs/dbraw/zinc/61/37/27/563613727.db2.gz AMTVNFSSTNULLH-UBHSHLNASA-N 0 0 301.356 3.582 50 0 DHAARN CC[C@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1cccs1 ZINC000253433203 563613958 /nfs/dbraw/zinc/61/39/58/563613958.db2.gz TYPRSTIDCMZKLM-ZDUSSCGKSA-N 0 0 318.446 3.512 50 0 DHAARN CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000046597816 563614434 /nfs/dbraw/zinc/61/44/34/563614434.db2.gz PRSDEMAYEGURMX-QWRGUYRKSA-N 0 0 316.854 3.531 50 0 DHAARN c1cc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)ccn1 ZINC000000256984 563616050 /nfs/dbraw/zinc/61/60/50/563616050.db2.gz QXZHPKHSQLCBHR-UHFFFAOYSA-N 0 0 321.409 3.670 50 0 DHAARN CC1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000000439313 563616648 /nfs/dbraw/zinc/61/66/48/563616648.db2.gz XWTKOBFFAKWPID-UHFFFAOYSA-N 0 0 304.397 3.928 50 0 DHAARN CC(C)c1nc([C@H]2CCCN2c2ncnc3ccsc32)no1 ZINC000075573017 563616957 /nfs/dbraw/zinc/61/69/57/563616957.db2.gz UMJIPUIORFGLLB-LLVKDONJSA-N 0 0 315.402 3.539 50 0 DHAARN Cc1cnc(C(C)(C)NC(=O)CSc2ccccc2)s1 ZINC000079750089 563617836 /nfs/dbraw/zinc/61/78/36/563617836.db2.gz XWPCSTVVPMCSED-UHFFFAOYSA-N 0 0 306.456 3.595 50 0 DHAARN COc1ccccc1Cc1noc(COc2cccc(C)c2C)n1 ZINC000000462144 563617894 /nfs/dbraw/zinc/61/78/94/563617894.db2.gz QYRKBKSKHGBLSD-UHFFFAOYSA-N 0 0 324.380 3.865 50 0 DHAARN Fc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1 ZINC000005242502 563618732 /nfs/dbraw/zinc/61/87/32/563618732.db2.gz YICHPYFZVNBNJO-UHFFFAOYSA-N 0 0 316.386 3.504 50 0 DHAARN CSc1nsc(SC)c1NC(=O)OCC(F)(F)F ZINC000001031628 563619692 /nfs/dbraw/zinc/61/96/92/563619692.db2.gz XYKILVSKCBPZKG-UHFFFAOYSA-N 0 0 318.367 3.698 50 0 DHAARN CCOC(=O)N1CCC(COc2nc3ccccc3s2)CC1 ZINC000206600115 563620142 /nfs/dbraw/zinc/62/01/42/563620142.db2.gz HSLNHVBHWQNGJM-UHFFFAOYSA-N 0 0 320.414 3.544 50 0 DHAARN CC(C)(C)C(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000002626159 563621547 /nfs/dbraw/zinc/62/15/47/563621547.db2.gz QJWWPCFCKOFCMP-UHFFFAOYSA-N 0 0 307.444 3.989 50 0 DHAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccs1 ZINC000005441645 563622016 /nfs/dbraw/zinc/62/20/16/563622016.db2.gz WMAHDYXXIVRNTR-UHFFFAOYSA-N 0 0 300.383 3.517 50 0 DHAARN COc1ccc(NC(=O)COc2ccc(F)cc2)cc1Cl ZINC000005463567 563622223 /nfs/dbraw/zinc/62/22/23/563622223.db2.gz ZQLYEIWWZARAGB-UHFFFAOYSA-N 0 0 309.724 3.505 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccn1 ZINC000007980290 563622953 /nfs/dbraw/zinc/62/29/53/563622953.db2.gz IFROPFSXUPGFSY-GFCCVEGCSA-N 0 0 300.427 3.903 50 0 DHAARN Cc1ccc2c(c1)c1ncnc(N3C[C@@H](C)C[C@H](C)C3)c1n2C ZINC000005516082 563623035 /nfs/dbraw/zinc/62/30/35/563623035.db2.gz KDEYWEUFWXMZLK-KBPBESRZSA-N 0 0 308.429 3.912 50 0 DHAARN COc1ccccc1Nc1nnc(SC[C@H]2CCCO2)s1 ZINC000006975477 563624782 /nfs/dbraw/zinc/62/47/82/563624782.db2.gz ARQUIENJXYBHHP-SNVBAGLBSA-N 0 0 323.443 3.561 50 0 DHAARN CCOc1ccccc1-c1noc(Cc2nc(C)sc2C)n1 ZINC000273703959 563626215 /nfs/dbraw/zinc/62/62/15/563626215.db2.gz LHERFGSEOPBLDK-UHFFFAOYSA-N 0 0 315.398 3.799 50 0 DHAARN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000000272498 563629126 /nfs/dbraw/zinc/62/91/26/563629126.db2.gz JKZBCJRUOWFLEI-UHFFFAOYSA-N 0 0 319.279 3.645 50 0 DHAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000000312836 563629187 /nfs/dbraw/zinc/62/91/87/563629187.db2.gz CPGSETYKJWWOLV-UHFFFAOYSA-N 0 0 302.399 3.529 50 0 DHAARN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccco1 ZINC000000345418 563629717 /nfs/dbraw/zinc/62/97/17/563629717.db2.gz RTXREVNFKIEUGS-UHFFFAOYSA-N 0 0 306.321 3.784 50 0 DHAARN COc1ccc([C@H]2NN=C(Cc3ccccc3)S2)cc1OC ZINC000000366920 563629790 /nfs/dbraw/zinc/62/97/90/563629790.db2.gz YIOBIPLEMUXSME-KRWDZBQOSA-N 0 0 314.410 3.595 50 0 DHAARN Cc1cccnc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000000453856 563630221 /nfs/dbraw/zinc/63/02/21/563630221.db2.gz MZLHGHWXHNPFEN-UHFFFAOYSA-N 0 0 313.426 3.640 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000000610178 563631846 /nfs/dbraw/zinc/63/18/46/563631846.db2.gz RVFYOPFNPLSGDD-GFCCVEGCSA-N 0 0 312.369 3.781 50 0 DHAARN CO[C@H](CNC(=O)/C=C/c1ccccc1)c1ccccc1Cl ZINC000206849193 563639735 /nfs/dbraw/zinc/63/97/35/563639735.db2.gz UFPJCFBQYQTCMA-FMQWLBJXSA-N 0 0 315.800 3.857 50 0 DHAARN C[C@@H](O)c1ccc(CNc2ccc(Br)cn2)cc1 ZINC000180427215 563645722 /nfs/dbraw/zinc/64/57/22/563645722.db2.gz ZRFHTBHBCXNMJN-SNVBAGLBSA-N 0 0 307.191 3.510 50 0 DHAARN Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000486926 563647255 /nfs/dbraw/zinc/64/72/55/563647255.db2.gz WCRSDFKKXAVCQJ-IUODEOHRSA-N 0 0 300.789 3.829 50 0 biogenic DHAARN COC(=O)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000169620338 563647321 /nfs/dbraw/zinc/64/73/21/563647321.db2.gz UNSHPYYIAQJNFO-OAHLLOKOSA-N 0 0 302.757 3.870 50 0 DHAARN CC[C@H](C)[C@@H]1C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000169619011 563647397 /nfs/dbraw/zinc/64/73/97/563647397.db2.gz ZVFWBZMTIDWKNV-YJLNNSPDSA-N 0 0 323.392 3.799 50 0 DHAARN FC(F)(F)C(Oc1ncccc1Br)C(F)(F)F ZINC000169725468 563647700 /nfs/dbraw/zinc/64/77/00/563647700.db2.gz FDZLXYSJYHAODP-UHFFFAOYSA-N 0 0 324.018 3.716 50 0 DHAARN FC(F)(F)c1ccc(N2CCSC2)c(Br)c1 ZINC000169725676 563647710 /nfs/dbraw/zinc/64/77/10/563647710.db2.gz LIODHFGDUXLICP-UHFFFAOYSA-N 0 0 312.154 3.979 50 0 DHAARN Cc1cc(C)c2sc(NC(=O)Cc3ccc(F)cc3)nc2n1 ZINC000011666333 563649862 /nfs/dbraw/zinc/64/98/62/563649862.db2.gz ZVGOYPMLOOWORF-UHFFFAOYSA-N 0 0 315.373 3.628 50 0 DHAARN COc1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1OC ZINC000000496636 563650744 /nfs/dbraw/zinc/65/07/44/563650744.db2.gz YFCAHPWDDDXIGP-ACCUITESSA-N 0 0 317.429 3.946 50 0 DHAARN O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)cc1F ZINC000005688500 563653059 /nfs/dbraw/zinc/65/30/59/563653059.db2.gz VNYSTRJIFWEOOZ-UHFFFAOYSA-N 0 0 318.779 3.870 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)CCO2 ZINC000012972644 563654476 /nfs/dbraw/zinc/65/44/76/563654476.db2.gz YSNDMHGWOCTRSE-UHFFFAOYSA-N 0 0 306.365 3.674 50 0 DHAARN CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000101492237 563656350 /nfs/dbraw/zinc/65/63/50/563656350.db2.gz CKCAAVSMPGZWFA-WDEREUQCSA-N 0 0 310.180 3.839 50 0 DHAARN CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)CCCC1=N2 ZINC000101589145 563656357 /nfs/dbraw/zinc/65/63/57/563656357.db2.gz WAHMAFPGCLVVII-LBPRGKRZSA-N 0 0 318.427 3.733 50 0 DHAARN COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 ZINC000102719408 563661900 /nfs/dbraw/zinc/66/19/00/563661900.db2.gz RBRNFDINORQSNW-UHFFFAOYSA-N 0 0 315.398 3.535 50 0 DHAARN O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2ccc(Cl)cc21 ZINC000000518000 563662060 /nfs/dbraw/zinc/66/20/60/563662060.db2.gz MCLVSBUCBYULQY-MRXNPFEDSA-N 0 0 316.740 3.818 50 0 biogenic DHAARN O=C(C[C@@H](c1ccco1)c1ccc(F)cc1)NCc1ccco1 ZINC000000521539 563664023 /nfs/dbraw/zinc/66/40/23/563664023.db2.gz OYQOUUVTJXGNHA-MRXNPFEDSA-N 0 0 313.328 3.850 50 0 DHAARN Fc1ccc(CN2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000014195030 563665845 /nfs/dbraw/zinc/66/58/45/563665845.db2.gz QINQHNJOZRWVHB-UHFFFAOYSA-N 0 0 304.796 3.801 50 0 DHAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000000530511 563665894 /nfs/dbraw/zinc/66/58/94/563665894.db2.gz FOPSPFYYHOSVTB-OAHLLOKOSA-N 0 0 319.408 3.885 50 0 DHAARN CC(=O)Nc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2 ZINC000000537361 563666883 /nfs/dbraw/zinc/66/68/83/563666883.db2.gz YAOCABNJBYKYBG-UHFFFAOYSA-N 0 0 302.761 3.655 50 0 DHAARN O=C(Cc1coc2ccc3ccccc3c12)OC[C@@H]1CCCO1 ZINC000024502817 563668110 /nfs/dbraw/zinc/66/81/10/563668110.db2.gz SWTOXHKBOPMKGB-HNNXBMFYSA-N 0 0 310.349 3.851 50 0 DHAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)Oc1ccccc1 ZINC000000547137 563669432 /nfs/dbraw/zinc/66/94/32/563669432.db2.gz AMXLXACLVOQJIS-UHFFFAOYSA-N 0 0 310.309 3.565 50 0 DHAARN O=C(/C=C/c1nc2ccccc2o1)OC[C@@H]1CC1(Cl)Cl ZINC000014897526 563673256 /nfs/dbraw/zinc/67/32/56/563673256.db2.gz QNOLCEOURWTICQ-CYNONHLPSA-N 0 0 312.152 3.578 50 0 DHAARN COc1cccc(OC)c1/C=C/C(=O)Nc1cc(C)ccc1C ZINC000000574312 563674034 /nfs/dbraw/zinc/67/40/34/563674034.db2.gz GCDWONUIZOIWMD-ZHACJKMWSA-N 0 0 311.381 3.973 50 0 DHAARN C[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(F)cc1 ZINC000051315982 563675185 /nfs/dbraw/zinc/67/51/85/563675185.db2.gz ILUPEGVEGNJUON-SNVBAGLBSA-N 0 0 315.373 3.768 50 0 DHAARN Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccn2)c(C)s1 ZINC000046893698 563678275 /nfs/dbraw/zinc/67/82/75/563678275.db2.gz WNKICOWGEYUNEZ-RYUDHWBXSA-N 0 0 303.431 3.881 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000036759506 563679110 /nfs/dbraw/zinc/67/91/10/563679110.db2.gz XXNHQTQXJHYGFZ-UHFFFAOYSA-N 0 0 323.318 3.727 50 0 DHAARN O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)C1CCC1 ZINC000047371804 563680500 /nfs/dbraw/zinc/68/05/00/563680500.db2.gz JNJOREFFBUQKOS-UHFFFAOYSA-N 0 0 318.380 3.877 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)[nH]n2)cc1 ZINC000044839104 563684893 /nfs/dbraw/zinc/68/48/93/563684893.db2.gz HVPDPAOLJYZZMV-AWEZNQCLSA-N 0 0 305.381 3.876 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)[nH]n2)cc1 ZINC000044838543 563685015 /nfs/dbraw/zinc/68/50/15/563685015.db2.gz HVVVQWAPRFYMJX-UHFFFAOYSA-N 0 0 305.381 3.657 50 0 DHAARN COc1ccc(CNC(=O)Nc2cccc(Cl)c2)c(OC)c1 ZINC000044845709 563685618 /nfs/dbraw/zinc/68/56/18/563685618.db2.gz SGFGTMLBBLIFBF-UHFFFAOYSA-N 0 0 320.776 3.679 50 0 DHAARN O=C(Nc1nccs1)c1cccnc1Nc1cccc(F)c1 ZINC000044850176 563686145 /nfs/dbraw/zinc/68/61/45/563686145.db2.gz KTBZCCTXDLDXFP-UHFFFAOYSA-N 0 0 314.345 3.673 50 0 DHAARN CC(C)CNC(=O)c1ccc(SCc2cscn2)cc1 ZINC000044906673 563686788 /nfs/dbraw/zinc/68/67/88/563686788.db2.gz FNTKUFYFJUHDSN-UHFFFAOYSA-N 0 0 306.456 3.821 50 0 DHAARN O=C(CCCSc1ccccc1)N(C[C@@H]1CCOC1)C1CC1 ZINC000044941073 563686950 /nfs/dbraw/zinc/68/69/50/563686950.db2.gz KUOLAHZETKSSJU-HNNXBMFYSA-N 0 0 319.470 3.586 50 0 DHAARN Cc1noc(C)c1CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000044947316 563686982 /nfs/dbraw/zinc/68/69/82/563686982.db2.gz WODSPVOUMZRCFT-UHFFFAOYSA-N 0 0 320.197 3.572 50 0 DHAARN Cc1noc([C@@H](C)S(=O)(=O)c2cc(C(C)(C)C)ccc2C)n1 ZINC000044946960 563687007 /nfs/dbraw/zinc/68/70/07/563687007.db2.gz OVKUQUHAFJHXNB-LLVKDONJSA-N 0 0 322.430 3.519 50 0 DHAARN CC1=NN(c2ccc(C(=O)N(Cc3ccco3)C3CC3)cc2)CC1 ZINC000044966129 563687563 /nfs/dbraw/zinc/68/75/63/563687563.db2.gz DBLDEHWDTVKNBS-UHFFFAOYSA-N 0 0 323.396 3.670 50 0 DHAARN CC(C)c1cc(C(=O)Nc2ccccc2O)nn1C(C)(C)C ZINC000045012429 563687781 /nfs/dbraw/zinc/68/77/81/563687781.db2.gz NPVMACANODFHCZ-UHFFFAOYSA-N 0 0 301.390 3.719 50 0 DHAARN Cc1cc(N2Cc3ccccc3N(C)C[C@H]2C)nc(C2CC2)n1 ZINC000108354837 563688292 /nfs/dbraw/zinc/68/82/92/563688292.db2.gz YEDNZNSYYSPPGF-CQSZACIVSA-N 0 0 308.429 3.507 50 0 DHAARN C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)c1ccccn1 ZINC000045560718 563689152 /nfs/dbraw/zinc/68/91/52/563689152.db2.gz QTNUVJXDQKVHEB-SNVBAGLBSA-N 0 0 309.822 3.699 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(O)cc1 ZINC000045529282 563689483 /nfs/dbraw/zinc/68/94/83/563689483.db2.gz QWPMBZUDAKJRQX-OAHLLOKOSA-N 0 0 316.426 3.673 50 0 DHAARN Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n(C(C)(C)C)n1 ZINC000045783727 563690185 /nfs/dbraw/zinc/69/01/85/563690185.db2.gz NRAZGGRPGCIGEN-CABCVRRESA-N 0 0 315.392 3.828 50 0 DHAARN CC(C)n1c(=O)oc2cc(NC(=O)c3ccccc3F)ccc21 ZINC000046010494 563691088 /nfs/dbraw/zinc/69/10/88/563691088.db2.gz DSEGELMAQVKKFZ-UHFFFAOYSA-N 0 0 314.316 3.567 50 0 DHAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 ZINC000046018212 563691597 /nfs/dbraw/zinc/69/15/97/563691597.db2.gz WSSABKOZCISCTR-SFHVURJKSA-N 0 0 315.438 3.662 50 0 DHAARN Cc1cc(NC(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)no1 ZINC000047968821 563692829 /nfs/dbraw/zinc/69/28/29/563692829.db2.gz SEPQVSYJBZLOAB-HZMBPMFUSA-N 0 0 315.373 3.896 50 0 DHAARN Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccncc2)c1C ZINC000048196360 563693231 /nfs/dbraw/zinc/69/32/31/563693231.db2.gz WWFUIMKWSUASKO-WMZOPIPTSA-N 0 0 324.424 3.829 50 0 DHAARN CC(C)Oc1ccccc1NC(=O)NCc1ccccc1F ZINC000048193745 563693247 /nfs/dbraw/zinc/69/32/47/563693247.db2.gz DBCCNGNVDLVGQL-UHFFFAOYSA-N 0 0 302.349 3.935 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1ccccn1 ZINC000048234312 563693358 /nfs/dbraw/zinc/69/33/58/563693358.db2.gz GOEVNQXKUAOBJH-IUODEOHRSA-N 0 0 315.442 3.923 50 0 DHAARN O=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1 ZINC000048202711 563693409 /nfs/dbraw/zinc/69/34/09/563693409.db2.gz PZMKRCZVQBLNIT-UHFFFAOYSA-N 0 0 323.327 3.589 50 0 DHAARN O=C(CCC1CCCCC1)NCc1ccc(C2OCCO2)cc1 ZINC000048260344 563693982 /nfs/dbraw/zinc/69/39/82/563693982.db2.gz UTSJHDMCDCSVLH-UHFFFAOYSA-N 0 0 317.429 3.709 50 0 DHAARN Cc1nc(CCNC(=O)N2CC[C@@H](C)c3ccccc32)cs1 ZINC000048273661 563695047 /nfs/dbraw/zinc/69/50/47/563695047.db2.gz KLAXLXHQIZIZIH-GFCCVEGCSA-N 0 0 315.442 3.717 50 0 DHAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2noc(C(C)(C)C)n2)o1 ZINC000048302898 563695758 /nfs/dbraw/zinc/69/57/58/563695758.db2.gz FVOMCYOBYSTLAV-YPMHNXCESA-N 0 0 303.406 3.716 50 0 DHAARN Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccccc2-c2ccccc2)cn1 ZINC000048311978 563695820 /nfs/dbraw/zinc/69/58/20/563695820.db2.gz UWKGJKCSVBCUAZ-MSOLQXFVSA-N 0 0 317.392 3.829 50 0 DHAARN Cc1nc(C)c(C(=O)N(C)Cc2c(F)cccc2Cl)s1 ZINC000048325791 563696402 /nfs/dbraw/zinc/69/64/02/563696402.db2.gz HKMDUFCRFSRAJK-UHFFFAOYSA-N 0 0 312.797 3.825 50 0 DHAARN CN(Cc1ccsc1)C(=O)COc1ccc(F)c(Cl)c1 ZINC000048331617 563696484 /nfs/dbraw/zinc/69/64/84/563696484.db2.gz LTRWQWMJSJIDDS-UHFFFAOYSA-N 0 0 313.781 3.578 50 0 DHAARN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 ZINC000048346820 563697043 /nfs/dbraw/zinc/69/70/43/563697043.db2.gz BTYKPCQVESKOKG-IUODEOHRSA-N 0 0 311.385 3.995 50 0 DHAARN Cc1cc(CSc2nnc(COc3cccc(C)c3)o2)no1 ZINC000048353890 563697152 /nfs/dbraw/zinc/69/71/52/563697152.db2.gz ALIXYAAGFAEAAA-UHFFFAOYSA-N 0 0 317.370 3.546 50 0 DHAARN Cc1ccc(CN(C)C(=O)[C@@H](C)N2CCc3ccccc32)c(C)c1 ZINC000048339771 563697172 /nfs/dbraw/zinc/69/71/72/563697172.db2.gz JBZRHGAGICQNQZ-QGZVFWFLSA-N 0 0 322.452 3.713 50 0 DHAARN CCc1nc(CN(C)C(=O)Cc2ccccc2Cl)cs1 ZINC000048355463 563697562 /nfs/dbraw/zinc/69/75/62/563697562.db2.gz CAFBPYKKPPSRSU-UHFFFAOYSA-N 0 0 308.834 3.560 50 0 DHAARN Cc1ccc(-c2nnc(CN3CCC[C@@H]3c3ccc[nH]3)o2)cc1 ZINC000048355846 563697581 /nfs/dbraw/zinc/69/75/81/563697581.db2.gz RADAGCLNQCVRFV-MRXNPFEDSA-N 0 0 308.385 3.710 50 0 DHAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)N(Cc1ccsc1)C1CC1 ZINC000065461109 563699120 /nfs/dbraw/zinc/69/91/20/563699120.db2.gz DWNJXOLXWBZZOG-DLBZAZTESA-N 0 0 312.438 3.978 50 0 DHAARN Fc1cc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2cc1F ZINC000048878236 563699735 /nfs/dbraw/zinc/69/97/35/563699735.db2.gz YLPBZBPSXDOHGH-UHFFFAOYSA-N 0 0 308.291 3.965 50 0 DHAARN CC(C)OCc1cccc(CNC(=O)CCc2ccccc2)c1 ZINC000049150951 563700949 /nfs/dbraw/zinc/70/09/49/563700949.db2.gz IHRNYPRELPKOSH-UHFFFAOYSA-N 0 0 311.425 3.861 50 0 DHAARN O=C(/C=C/c1cccs1)NCC1(c2ccc(F)cc2)CC1 ZINC000049512602 563701674 /nfs/dbraw/zinc/70/16/74/563701674.db2.gz REBCYTNVCCQNMN-BQYQJAHWSA-N 0 0 301.386 3.748 50 0 DHAARN C[C@H](c1ccccc1)[NH+]1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484665 563701734 /nfs/dbraw/zinc/70/17/34/563701734.db2.gz XWOMNKOTZUTOSR-GFCCVEGCSA-N 0 0 311.410 3.959 50 0 DHAARN COc1ccc(Cl)c(NCC(=O)NC2CCCCCC2)c1 ZINC000049832771 563702279 /nfs/dbraw/zinc/70/22/79/563702279.db2.gz FFXWRGGSULBTBQ-UHFFFAOYSA-N 0 0 310.825 3.600 50 0 DHAARN COc1ccc(CC(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000049764303 563702393 /nfs/dbraw/zinc/70/23/93/563702393.db2.gz PLGDNSFLNFZUGD-IBGZPJMESA-N 0 0 324.424 3.777 50 0 DHAARN Fc1ccccc1Cn1cc(-c2cnn(-c3ccccc3)c2)cn1 ZINC000049581363 563702549 /nfs/dbraw/zinc/70/25/49/563702549.db2.gz AMFHXEHYNXBMGD-UHFFFAOYSA-N 0 0 318.355 3.923 50 0 DHAARN CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000081507999 563702914 /nfs/dbraw/zinc/70/29/14/563702914.db2.gz GUAAPNJKEBWIDP-WCQYABFASA-N 0 0 322.836 3.523 50 0 DHAARN CCCC[C@H]1C=CCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000215182591 563704562 /nfs/dbraw/zinc/70/45/62/563704562.db2.gz PQCNOOYEETWKTI-SFHVURJKSA-N 0 0 309.413 3.502 50 0 DHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[C@H]1c1ccccc1 ZINC000216322442 563709284 /nfs/dbraw/zinc/70/92/84/563709284.db2.gz WKMUSWVKJISMHE-SFHVURJKSA-N 0 0 318.376 3.505 50 0 DHAARN c1ccc2oc(NCCCNc3nc4ccccc4o3)nc2c1 ZINC000051649940 563710796 /nfs/dbraw/zinc/71/07/96/563710796.db2.gz JNKLFZWKCSGYDL-UHFFFAOYSA-N 0 0 308.341 3.883 50 0 DHAARN CCc1cccc(CC)c1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000000798672 563717070 /nfs/dbraw/zinc/71/70/70/563717070.db2.gz HLFPHAWVGRGJMA-KRWDZBQOSA-N 0 0 311.381 3.590 50 0 DHAARN Cc1c(Cl)cccc1C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000219294981 563718185 /nfs/dbraw/zinc/71/81/85/563718185.db2.gz AJHUXCFKFXIGNN-UHFFFAOYSA-N 0 0 319.836 3.941 50 0 DHAARN CC[C@H](NC(=O)c1cccc(-c2ccc(C)o2)c1)[C@H]1C[C@@H](O)C1 ZINC000219212766 563718476 /nfs/dbraw/zinc/71/84/76/563718476.db2.gz KITGHKHEPYGNMW-ULQDDVLXSA-N 0 0 313.397 3.534 50 0 DHAARN O=c1oc2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000000810181 563718904 /nfs/dbraw/zinc/71/89/04/563718904.db2.gz CWRQERHXLJDHMB-UHFFFAOYSA-N 0 0 305.333 3.827 50 0 DHAARN CSCc1ccc(C(=O)NCCCc2nc(C)c(C)s2)o1 ZINC000219561354 563720078 /nfs/dbraw/zinc/72/00/78/563720078.db2.gz HRMDJRUPISHZNA-UHFFFAOYSA-N 0 0 324.471 3.579 50 0 DHAARN O=C(Nc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008280126 563720787 /nfs/dbraw/zinc/72/07/87/563720787.db2.gz QLHYMRYEFHQPOB-MRXNPFEDSA-N 0 0 324.380 3.827 50 0 DHAARN CN(Cc1ncc[nH]1)C(=O)CCc1ccc(-c2ccccc2)cc1 ZINC000221211831 563723509 /nfs/dbraw/zinc/72/35/09/563723509.db2.gz GKFKOIPGDWVQKC-UHFFFAOYSA-N 0 0 319.408 3.668 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000033313878 563723895 /nfs/dbraw/zinc/72/38/95/563723895.db2.gz IQMJAMDNQUEOBY-CQSZACIVSA-N 0 0 301.365 3.621 50 0 DHAARN O=C(NCc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000025055941 563725251 /nfs/dbraw/zinc/72/52/51/563725251.db2.gz DSWMJPOXONWQLC-UHFFFAOYSA-N 0 0 308.303 3.705 50 0 DHAARN Cc1cc(CC(=O)N2CCCCC[C@H]2c2cccc(F)c2)on1 ZINC000222508527 563726004 /nfs/dbraw/zinc/72/60/04/563726004.db2.gz ZJBUIDVHNLVMQD-KRWDZBQOSA-N 0 0 316.376 3.809 50 0 DHAARN CC[C@H](NC(=O)C1(c2ccc(OC)cc2)CC1)c1cc(C)ccn1 ZINC000223861986 563737346 /nfs/dbraw/zinc/73/73/46/563737346.db2.gz QQOLNYHFVQSFHQ-KRWDZBQOSA-N 0 0 324.424 3.698 50 0 DHAARN CCc1cc(OC)ccc1CNc1ccc(C(F)(F)F)nn1 ZINC000225429858 563754585 /nfs/dbraw/zinc/75/45/85/563754585.db2.gz UKCIGAFQAMUBKS-UHFFFAOYSA-N 0 0 311.307 3.679 50 0 DHAARN C[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1cccc(O)c1 ZINC000225445487 563755196 /nfs/dbraw/zinc/75/51/96/563755196.db2.gz ZNVLUXRMYVIEJJ-OLZOCXBDSA-N 0 0 301.411 3.750 50 0 DHAARN O=C(Cc1ccccc1Cl)Nc1cccc(-c2cc[nH]n2)c1 ZINC000029799269 563759484 /nfs/dbraw/zinc/75/94/84/563759484.db2.gz WDNCOQFGSWAGRO-UHFFFAOYSA-N 0 0 311.772 3.911 50 0 DHAARN O=C(CCn1cnc2ccccc21)N1CCC[C@H]1c1ccccc1 ZINC000029981046 563763146 /nfs/dbraw/zinc/76/31/46/563763146.db2.gz UCAFJPULLXJFPT-SFHVURJKSA-N 0 0 319.408 3.790 50 0 DHAARN CCCn1c(C)nnc1SCc1c(Cl)cccc1OC ZINC000225795116 563763384 /nfs/dbraw/zinc/76/33/84/563763384.db2.gz ZBKXJHADKMCMGG-UHFFFAOYSA-N 0 0 311.838 3.951 50 0 DHAARN Cc1[nH]ccc1C(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000291856405 563772516 /nfs/dbraw/zinc/77/25/16/563772516.db2.gz IJKMYLLVKWBLNH-UHFFFAOYSA-N 0 0 319.355 3.844 50 0 DHAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)Cc1ccsc1 ZINC000229409257 563772952 /nfs/dbraw/zinc/77/29/52/563772952.db2.gz YTSWKUHWFOKNPF-RCBQFDQVSA-N 0 0 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ZINC000085591316 563839293 /nfs/dbraw/zinc/83/92/93/563839293.db2.gz OTFZZCFRMHWXSN-UHFFFAOYSA-N 0 0 322.459 3.619 50 0 DHAARN C[C@@H]1CN(CCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 ZINC000014083971 563839762 /nfs/dbraw/zinc/83/97/62/563839762.db2.gz XHZVFPHGPKCULO-OKILXGFUSA-N 0 0 319.832 3.981 50 0 DHAARN C[C@@H]1CN(CCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 ZINC000020167436 563843170 /nfs/dbraw/zinc/84/31/70/563843170.db2.gz XHZVFPHGPKCULO-ZIAGYGMSSA-N 0 0 319.832 3.981 50 0 DHAARN O=C(NCc1ccccc1OC(F)F)c1ccccc1Cl ZINC000012825587 563843714 /nfs/dbraw/zinc/84/37/14/563843714.db2.gz GEQSDBLJNKMDFX-UHFFFAOYSA-N 0 0 311.715 3.871 50 0 DHAARN COc1cc(C(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000000042704 563843878 /nfs/dbraw/zinc/84/38/78/563843878.db2.gz XXKFIILUUJFHPS-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 biogenic,in-vitro DHAARN CC(C)n1ccc2c1cccc2C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000085879845 563844165 /nfs/dbraw/zinc/84/41/65/563844165.db2.gz MSASIJCEHNYKBF-CQSZACIVSA-N 0 0 314.429 3.910 50 0 biogenic DHAARN Cc1ccc(CN(C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000012853377 563844760 /nfs/dbraw/zinc/84/47/60/563844760.db2.gz SCDZEEALMKXOFQ-UHFFFAOYSA-N 0 0 316.788 3.646 50 0 DHAARN Cc1cc(C)cc(OC(=O)c2cnc3c(cnn3C(C)C)c2)c1 ZINC000012852380 563844922 /nfs/dbraw/zinc/84/49/22/563844922.db2.gz QBZLGQBNEDGODQ-UHFFFAOYSA-N 0 0 309.369 3.848 50 0 DHAARN C[C@@H](c1ccco1)N(C(=O)NCC1CCSCC1)C1CC1 ZINC000086398105 563845454 /nfs/dbraw/zinc/84/54/54/563845454.db2.gz XVGQIRMLLBHILK-LBPRGKRZSA-N 0 0 308.447 3.658 50 0 DHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1 ZINC000012857779 563845586 /nfs/dbraw/zinc/84/55/86/563845586.db2.gz QUHFQHGGGGWXBQ-UHFFFAOYSA-N 0 0 306.369 3.536 50 0 DHAARN CC(C)c1cc(CNC(=O)N([C@H](C)c2ccco2)C2CC2)on1 ZINC000086398887 563845606 /nfs/dbraw/zinc/84/56/06/563845606.db2.gz LPYHWDOGJVBUKD-GFCCVEGCSA-N 0 0 317.389 3.826 50 0 DHAARN COc1c(C)c(C)c(OC)c(Br)c1Br ZINC000000400273 563846807 /nfs/dbraw/zinc/84/68/07/563846807.db2.gz OWYDPUOOCVUCTD-UHFFFAOYSA-N 0 0 324.012 3.846 50 0 DHAARN COc1cc(C=O)ccc1OC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002173747 563847365 /nfs/dbraw/zinc/84/73/65/563847365.db2.gz DUOYQZOJRAQHCX-UHFFFAOYSA-N 0 0 323.707 3.911 50 0 DHAARN COc1ccc(OCCOC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000002173819 563847424 /nfs/dbraw/zinc/84/74/24/563847424.db2.gz LDJPNBYKJRNRKT-UHFFFAOYSA-N 0 0 315.369 3.940 50 0 DHAARN COC(=O)[C@@]1(C)CC[C@@H](C(=O)c2ccc(N(C)C)cc2)C1(C)C ZINC000086069542 563848625 /nfs/dbraw/zinc/84/86/25/563848625.db2.gz BMEQVLFAKXSKBJ-HNAYVOBHSA-N 0 0 317.429 3.551 50 0 DHAARN Cc1c(C(=O)NCc2ccc(C)cc2)cnn1-c1ccc(C)cc1 ZINC000012873430 563850532 /nfs/dbraw/zinc/85/05/32/563850532.db2.gz PHCSZWRJXASEMJ-UHFFFAOYSA-N 0 0 319.408 3.728 50 0 DHAARN CCc1noc(CC)c1CC(=O)Nc1ccc2ncccc2c1 ZINC000087126054 563851173 /nfs/dbraw/zinc/85/11/73/563851173.db2.gz PMYSQHRYVOCZED-UHFFFAOYSA-N 0 0 309.369 3.529 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000012898245 563852594 /nfs/dbraw/zinc/85/25/94/563852594.db2.gz DFPCUBSLWAHWGF-MGPQQGTHSA-N 0 0 320.458 3.795 50 0 DHAARN O=C(COc1cccc(Cl)c1)N[C@H]1CCc2ccccc21 ZINC000012886994 563852794 /nfs/dbraw/zinc/85/27/94/563852794.db2.gz BOKPZRAKLGTYIY-INIZCTEOSA-N 0 0 301.773 3.523 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000012898231 563852813 /nfs/dbraw/zinc/85/28/13/563852813.db2.gz DFPCUBSLWAHWGF-BFHYXJOUSA-N 0 0 320.458 3.795 50 0 DHAARN COc1ccc2nc(C(=O)NCCC3=CCCCC3)ccc2c1 ZINC000012905509 563853073 /nfs/dbraw/zinc/85/30/73/563853073.db2.gz BXMUONIYZFUBAQ-UHFFFAOYSA-N 0 0 310.397 3.864 50 0 DHAARN CONC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012901442 563853320 /nfs/dbraw/zinc/85/33/20/563853320.db2.gz MYADYJISDKRMRA-UHFFFAOYSA-N 0 0 307.434 3.597 50 0 DHAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccncc2)cc1 ZINC000012916579 563853625 /nfs/dbraw/zinc/85/36/25/563853625.db2.gz WNGKFCRPFQBBJQ-GOSISDBHSA-N 0 0 310.397 3.848 50 0 DHAARN C[C@H]1CCC[C@H](C)N1NC(=O)Cc1c(Cl)cccc1Cl ZINC000012913702 563853782 /nfs/dbraw/zinc/85/37/82/563853782.db2.gz MYPAZEIBOAACEA-QWRGUYRKSA-N 0 0 315.244 3.830 50 0 DHAARN COc1ccccc1CNC(=O)N(C)Cc1cccc(Cl)c1 ZINC000012917745 563853898 /nfs/dbraw/zinc/85/38/98/563853898.db2.gz WNZYDEXGLKBSNK-UHFFFAOYSA-N 0 0 318.804 3.690 50 0 DHAARN CCOCCCNC(=O)c1cccc2c3c([nH]c21)CCCCC3 ZINC000012933775 563856426 /nfs/dbraw/zinc/85/64/26/563856426.db2.gz KLETUHPWHJNYCS-UHFFFAOYSA-N 0 0 314.429 3.593 50 0 DHAARN CCCN(C(=O)c1cccc[n+]1[O-])[C@H](C)c1cc2ccccc2o1 ZINC000053371949 563857938 /nfs/dbraw/zinc/85/79/38/563857938.db2.gz JDKHWLUPXDBFNS-CQSZACIVSA-N 0 0 324.380 3.680 50 0 DHAARN C[C@H](Nc1cncc(Cl)n1)c1ccc(-c2cncnc2)cc1 ZINC000075064379 563858728 /nfs/dbraw/zinc/85/87/28/563858728.db2.gz LRGJPNHSBGGPAQ-NSHDSACASA-N 0 0 311.776 3.760 50 0 DHAARN O[C@H]1Cc2cccc(NCc3cc4ccccc4nc3Cl)c2C1 ZINC000075094713 563858974 /nfs/dbraw/zinc/85/89/74/563858974.db2.gz NMSDOOPASTYZIQ-HNNXBMFYSA-N 0 0 324.811 3.960 50 0 DHAARN CC(C)c1cccc(NC(=O)N[C@H]2CCC[C@H]2n2ccnc2)c1 ZINC000075092585 563859227 /nfs/dbraw/zinc/85/92/27/563859227.db2.gz ISZWEHJFPYQBLI-DLBZAZTESA-N 0 0 312.417 3.922 50 0 DHAARN CC(C)[C@@H]1CN(C(=O)c2ccnc(Cl)c2)c2ccccc2N1 ZINC000075092690 563859305 /nfs/dbraw/zinc/85/93/05/563859305.db2.gz RTZKBNYALOLTIJ-AWEZNQCLSA-N 0 0 315.804 3.832 50 0 DHAARN Cc1ccc(-c2ccsc2C(=O)Nc2c[nH]c(=O)cc2C)cc1 ZINC000075092870 563859401 /nfs/dbraw/zinc/85/94/01/563859401.db2.gz ZQIKXIDKSXTZHM-UHFFFAOYSA-N 0 0 324.405 3.973 50 0 DHAARN CC(C)Cn1nccc1NC(=O)COc1ccc2ccccc2c1 ZINC000012951200 563859620 /nfs/dbraw/zinc/85/96/20/563859620.db2.gz VGHMRWBRIBOAEJ-UHFFFAOYSA-N 0 0 323.396 3.710 50 0 DHAARN CC[C@@H](NC(=O)[C@H]1CC12CCOCC2)c1ccc(Cl)cc1 ZINC000075093395 563859804 /nfs/dbraw/zinc/85/98/04/563859804.db2.gz UYPXODCAMSFJIG-HUUCEWRRSA-N 0 0 307.821 3.724 50 0 DHAARN CC(C)C1(CNC(=O)c2ccc(Br)s2)CC1 ZINC000075108584 563859876 /nfs/dbraw/zinc/85/98/76/563859876.db2.gz JZIDFJUKOSLQHL-UHFFFAOYSA-N 0 0 302.237 3.677 50 0 DHAARN Fc1cccc(Cl)c1CN1CCC(Cn2cccn2)CC1 ZINC000075154703 563860830 /nfs/dbraw/zinc/86/08/30/563860830.db2.gz JSSUSWDUQSFGIU-UHFFFAOYSA-N 0 0 307.800 3.588 50 0 DHAARN C[C@H](C(=O)Nc1cccc(Nc2ccccc2)c1)n1ccnc1 ZINC000075138616 563861020 /nfs/dbraw/zinc/86/10/20/563861020.db2.gz VQHVKLUWDGEVFF-CQSZACIVSA-N 0 0 306.369 3.826 50 0 DHAARN CCSCCCN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000075148482 563861047 /nfs/dbraw/zinc/86/10/47/563861047.db2.gz PLXWYOAGHYWTQP-PKNBQFBNSA-N 0 0 313.469 3.928 50 0 DHAARN Cc1ccc(N2Cc3ccccc3O[C@@H](C)C2=O)cc1Cl ZINC000075165477 563861414 /nfs/dbraw/zinc/86/14/14/563861414.db2.gz YGUHVRBVYXRRPC-LBPRGKRZSA-N 0 0 301.773 3.963 50 0 DHAARN C[C@@H](NC(=O)N(C)Cc1cc2ccccc2o1)c1nccs1 ZINC000078973570 563861624 /nfs/dbraw/zinc/86/16/24/563861624.db2.gz IARABCGAMJUHLU-LLVKDONJSA-N 0 0 315.398 3.792 50 0 DHAARN COC(=O)N(C)[C@H](c1ccccc1)[C@H](C)C(=O)c1ccccc1 ZINC000075271861 563862299 /nfs/dbraw/zinc/86/22/99/563862299.db2.gz XKLFJBKCYFFERM-YOEHRIQHSA-N 0 0 311.381 3.945 50 0 DHAARN COc1ccccc1Sc1ccccc1C[C@@H](C)NC=O ZINC000075280223 563862825 /nfs/dbraw/zinc/86/28/25/563862825.db2.gz XNPYRVRVMWKRGC-CYBMUJFWSA-N 0 0 301.411 3.523 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000063838404 563863167 /nfs/dbraw/zinc/86/31/67/563863167.db2.gz OCCJWPXQRZAEBU-NEPJUHHUSA-N 0 0 323.318 3.788 50 0 DHAARN CCCCCn1c(CCNC(=O)CCC)nc2ccccc21 ZINC000002601767 563863645 /nfs/dbraw/zinc/86/36/45/563863645.db2.gz MYAUCOPAGYSTDP-UHFFFAOYSA-N 0 0 301.434 3.685 50 0 DHAARN CCOc1cc(/C=C/C(=O)Nc2ccccc2F)ccc1OC ZINC000008289084 563864725 /nfs/dbraw/zinc/86/47/25/563864725.db2.gz XQIOVIUMMGLHAC-PKNBQFBNSA-N 0 0 315.344 3.885 50 0 DHAARN O=C(CCc1cccc(Cl)c1)NCc1cncc(C2CC2)c1 ZINC000575607126 563865328 /nfs/dbraw/zinc/86/53/28/563865328.db2.gz YNIXJOSZWHMHOW-UHFFFAOYSA-N 0 0 314.816 3.861 50 0 DHAARN O=C(Nc1ccc(CCO)cc1)Nc1ccc(F)c(Cl)c1 ZINC000000400344 563865634 /nfs/dbraw/zinc/86/56/34/563865634.db2.gz JVNHMBDROQHBNL-UHFFFAOYSA-N 0 0 308.740 3.658 50 0 DHAARN Cc1noc(C)c1C(=O)NCc1ccc(-c2cccs2)o1 ZINC000575609615 563865808 /nfs/dbraw/zinc/86/58/08/563865808.db2.gz YZJVBVACOQNPCR-UHFFFAOYSA-N 0 0 302.355 3.543 50 0 DHAARN CCNC(=O)c1nc2ccccc2c(Nc2ccc(CC)cc2)n1 ZINC000035430069 563867079 /nfs/dbraw/zinc/86/70/79/563867079.db2.gz AVUJIQXSNXLYBG-UHFFFAOYSA-N 0 0 320.396 3.686 50 0 DHAARN Cc1ccc(Nc2nc(C(=O)NC(C)C)nc3ccccc32)cc1 ZINC000035429720 563867218 /nfs/dbraw/zinc/86/72/18/563867218.db2.gz ZRVXYLWQIITNAT-UHFFFAOYSA-N 0 0 320.396 3.820 50 0 DHAARN O=C(Cc1cccc2ccccc21)NCc1cncc(C2CC2)c1 ZINC000575619167 563867654 /nfs/dbraw/zinc/86/76/54/563867654.db2.gz IGMYCESMZFPPEW-UHFFFAOYSA-N 0 0 316.404 3.971 50 0 DHAARN O=C(Cc1c(F)cccc1Cl)NCc1cncc(C2CC2)c1 ZINC000575619765 563867736 /nfs/dbraw/zinc/86/77/36/563867736.db2.gz NBDBEAWQYMLOQJ-UHFFFAOYSA-N 0 0 318.779 3.610 50 0 DHAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccco1 ZINC000575619132 563867832 /nfs/dbraw/zinc/86/78/32/563867832.db2.gz HLGHHZRFJGACDQ-UHFFFAOYSA-N 0 0 307.353 3.732 50 0 DHAARN C[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000222250443 563869559 /nfs/dbraw/zinc/86/95/59/563869559.db2.gz PNVNXGUXURAUPR-HLLBOEOZSA-N 0 0 311.429 3.636 50 0 DHAARN O=C(c1ccc(Cl)cc1)N1CC(OCc2ccc(F)cc2)C1 ZINC000035508959 563870764 /nfs/dbraw/zinc/87/07/64/563870764.db2.gz QSYHBORSLGQBQD-UHFFFAOYSA-N 0 0 319.763 3.520 50 0 DHAARN Cc1nc2nc3c(c(Nc4ccccc4Cl)n2n1)CCCC3 ZINC000035508776 563870878 /nfs/dbraw/zinc/87/08/78/563870878.db2.gz QZTZQHAQEHPARH-UHFFFAOYSA-N 0 0 313.792 3.709 50 0 DHAARN Cc1cn(CC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc12 ZINC000050610288 563871374 /nfs/dbraw/zinc/87/13/74/563871374.db2.gz HHCBELIOMPGSKE-LJQANCHMSA-N 0 0 319.408 3.708 50 0 DHAARN CSc1ccc(CNC(=O)c2cnc(C(C)C)nc2C)cc1 ZINC000075437056 563871490 /nfs/dbraw/zinc/87/14/90/563871490.db2.gz FOSPACKYQTZYPH-UHFFFAOYSA-N 0 0 315.442 3.560 50 0 DHAARN COc1cc(NC(=O)c2ccc(C)cc2C)cc(OC)c1OC ZINC000012976351 563871988 /nfs/dbraw/zinc/87/19/88/563871988.db2.gz ZUMOUMUVNBVWOB-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN CCOc1ccc(C(=O)Nc2cccc(-c3noc(C)n3)c2)cc1 ZINC000035539535 563872303 /nfs/dbraw/zinc/87/23/03/563872303.db2.gz VZMVHNJMZXPTJJ-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN Cc1ccc(Nc2ccc(NC(=O)c3cccs3)cc2)nn1 ZINC000035597945 563872385 /nfs/dbraw/zinc/87/23/85/563872385.db2.gz DLOZGLMJYFSABP-UHFFFAOYSA-N 0 0 310.382 3.842 50 0 DHAARN C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000035655100 563872778 /nfs/dbraw/zinc/87/27/78/563872778.db2.gz UOUSFOZEGXXNBT-DVOMOZLQSA-N 0 0 321.392 3.912 50 0 DHAARN COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1F ZINC000036385441 563873545 /nfs/dbraw/zinc/87/35/45/563873545.db2.gz FMYYHOIKDMDTLV-VAMANMQVSA-N 0 0 305.393 3.788 50 0 DHAARN CCCOc1ccccc1C(=O)Nc1cccc2nsnc21 ZINC000035672826 563874098 /nfs/dbraw/zinc/87/40/98/563874098.db2.gz MDRIWFBSVHVQFS-UHFFFAOYSA-N 0 0 313.382 3.732 50 0 DHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(F)c1 ZINC000000375784 563874102 /nfs/dbraw/zinc/87/41/02/563874102.db2.gz MDBAMJWKWNQQHX-UHFFFAOYSA-N 0 0 321.373 3.933 50 0 DHAARN O=C(c1cscn1)N(CC(F)F)c1cccc(Cl)c1 ZINC000084803614 563874531 /nfs/dbraw/zinc/87/45/31/563874531.db2.gz YSCKNCFZGJXQMO-UHFFFAOYSA-N 0 0 302.733 3.708 50 0 DHAARN Cc1nc2cc(NC(=O)CCC(=O)c3ccccc3)ccc2o1 ZINC000013005666 563874971 /nfs/dbraw/zinc/87/49/71/563874971.db2.gz UVLJTTBCVDATPJ-UHFFFAOYSA-N 0 0 308.337 3.738 50 0 DHAARN CCOc1cc2c(cc1NC(=O)c1ccoc1C)O[C@@H](C)C2 ZINC000013006489 563875609 /nfs/dbraw/zinc/87/56/09/563875609.db2.gz CLOFQTBHPSWWEI-JTQLQIEISA-N 0 0 301.342 3.562 50 0 DHAARN CCOc1cc2c(cc1NC(=O)[C@@H]1CC=CCC1)O[C@H](C)C2 ZINC000013012272 563876172 /nfs/dbraw/zinc/87/61/72/563876172.db2.gz MTGUZEXKZWUBGX-CHWSQXEVSA-N 0 0 301.386 3.704 50 0 DHAARN O=C(CSc1ccc(F)cc1F)NCc1ccc(F)cc1 ZINC000013023371 563876760 /nfs/dbraw/zinc/87/67/60/563876760.db2.gz HOEGESWENNCJTJ-UHFFFAOYSA-N 0 0 311.328 3.512 50 0 DHAARN Cc1nc(N2CCCC2)ccc1NC(=O)Nc1ccsc1 ZINC000191555405 563877050 /nfs/dbraw/zinc/87/70/50/563877050.db2.gz SFDUPMSJLIHXJN-UHFFFAOYSA-N 0 0 302.403 3.696 50 0 DHAARN Cc1nnc(CS[C@H](C)c2ccc(OC(F)F)cc2)n1C ZINC000091029760 563877651 /nfs/dbraw/zinc/87/76/51/563877651.db2.gz FDCSSKQWEKAVDS-SECBINFHSA-N 0 0 313.373 3.719 50 0 DHAARN Cc1occc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000091059288 563877684 /nfs/dbraw/zinc/87/76/84/563877684.db2.gz WNMUIRJJZDXGGB-GJZGRUSLSA-N 0 0 323.751 3.641 50 0 DHAARN Cc1sc(-c2cc[nH]n2)cc1NC(=O)Cc1ccsc1 ZINC000075519215 563878767 /nfs/dbraw/zinc/87/87/67/563878767.db2.gz KZKMUIZJIAZCRK-UHFFFAOYSA-N 0 0 303.412 3.689 50 0 DHAARN O=C(Nc1cc(F)ccc1F)N[C@@H]1CCOc2ccccc21 ZINC000053961605 563879105 /nfs/dbraw/zinc/87/91/05/563879105.db2.gz IGIMEEKKWDMBDZ-CYBMUJFWSA-N 0 0 304.296 3.610 50 0 DHAARN CC(C)CN(CC(C)C)C(=O)NC(=O)c1ccc(Cl)cc1 ZINC000001805323 563879137 /nfs/dbraw/zinc/87/91/37/563879137.db2.gz PVEFNOZJUYQVGL-UHFFFAOYSA-N 0 0 310.825 3.804 50 0 DHAARN Cn1c(C(=O)O[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc2ccccc21 ZINC000242302303 563880967 /nfs/dbraw/zinc/88/09/67/563880967.db2.gz YRFVRSDQNMWAOS-KBRIMQKVSA-N 0 0 313.397 3.539 50 0 DHAARN Cc1[nH]nc(NC(=O)Cc2cccc(C)c2)c1-c1ccccc1 ZINC000075544584 563881408 /nfs/dbraw/zinc/88/14/08/563881408.db2.gz QTUZAAOGHBUTMS-UHFFFAOYSA-N 0 0 305.381 3.875 50 0 DHAARN C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)[C@H]1CCO[C@H]1C ZINC000245566203 563882018 /nfs/dbraw/zinc/88/20/18/563882018.db2.gz WXNXNMUEGAZUCA-ZGSQPGIDSA-N 0 0 322.348 3.572 50 0 DHAARN CCc1ccc(-c2nc(CN(CCO)C(C)C)cs2)cc1 ZINC000075572121 563884824 /nfs/dbraw/zinc/88/48/24/563884824.db2.gz GSKYLRJOMMONLB-UHFFFAOYSA-N 0 0 304.459 3.575 50 0 DHAARN Cc1ccc(Cc2cnc(NC(=O)N[C@H](C)C3CC3)s2)cc1 ZINC000075572442 563884951 /nfs/dbraw/zinc/88/49/51/563884951.db2.gz DPTFWIGTXUVTOP-GFCCVEGCSA-N 0 0 315.442 3.962 50 0 DHAARN O=C(Nc1ncc(-c2ccccc2)s1)[C@@H]1CSCCS1 ZINC000075572387 563885020 /nfs/dbraw/zinc/88/50/20/563885020.db2.gz JYAQQVVVPRQCFX-LBPRGKRZSA-N 0 0 322.480 3.597 50 0 DHAARN O=C(c1cc2ccccc2[nH]1)N1CCc2c([nH]c3ccccc32)C1 ZINC000089362694 563885111 /nfs/dbraw/zinc/88/51/11/563885111.db2.gz BMAGKVSVVMMVPI-UHFFFAOYSA-N 0 0 315.376 3.848 50 0 biogenic DHAARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NC1CCn2cccc21 ZINC000252475245 563885459 /nfs/dbraw/zinc/88/54/59/563885459.db2.gz WTOBLVNOYYKCKH-UHFFFAOYSA-N 0 0 324.262 3.635 50 0 DHAARN Fc1cnccc1NCc1csc(COc2ccccc2)n1 ZINC000192150955 563885680 /nfs/dbraw/zinc/88/56/80/563885680.db2.gz JDCDXVFDAASOFB-UHFFFAOYSA-N 0 0 315.373 3.868 50 0 DHAARN COc1ccccc1NC(=O)COc1ccc(Cl)cc1C ZINC000000061431 563886933 /nfs/dbraw/zinc/88/69/33/563886933.db2.gz FUUMMWOHHXQXAY-UHFFFAOYSA-N 0 0 305.761 3.675 50 0 DHAARN COc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(F)c1 ZINC000089432752 563887134 /nfs/dbraw/zinc/88/71/34/563887134.db2.gz CTURZVWCVXATQU-UHFFFAOYSA-N 0 0 318.323 3.800 50 0 DHAARN CCn1nc(C)c(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1C ZINC000089480841 563887809 /nfs/dbraw/zinc/88/78/09/563887809.db2.gz VWXDUEQIMARMDV-GJZGRUSLSA-N 0 0 304.438 3.610 50 0 DHAARN COc1ccccc1-c1nnc([C@H](C)N(C)Cc2ccccc2)o1 ZINC000521393852 563887953 /nfs/dbraw/zinc/88/79/53/563887953.db2.gz YRZCHKDPMAJJJR-AWEZNQCLSA-N 0 0 323.396 3.938 50 0 DHAARN Cc1nn(C)cc1CCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000089544326 563890837 /nfs/dbraw/zinc/89/08/37/563890837.db2.gz FYVSQAAENHYQRK-UHFFFAOYSA-N 0 0 323.440 3.520 50 0 DHAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NC(=S)N2)cc1 ZINC000002491384 563890874 /nfs/dbraw/zinc/89/08/74/563890874.db2.gz LYWHJBJIWRDEGC-KRWDZBQOSA-N 0 0 310.422 3.975 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)CNc1ccc(C)c(F)c1 ZINC000007973075 563892268 /nfs/dbraw/zinc/89/22/68/563892268.db2.gz XKZTTYBKYXBYGU-UHFFFAOYSA-N 0 0 322.767 3.847 50 0 DHAARN CC[C@@H](C)NC(=O)c1csc(COc2ccc(C)cc2C)n1 ZINC000036084294 563892735 /nfs/dbraw/zinc/89/27/35/563892735.db2.gz QIFGOZJSPKGMNB-CYBMUJFWSA-N 0 0 318.442 3.867 50 0 DHAARN COc1cccc(C(=O)NCc2ccc3c(c2)ncn3C(C)C)c1 ZINC000064754906 563892880 /nfs/dbraw/zinc/89/28/80/563892880.db2.gz MFKKLZRQQZCQME-UHFFFAOYSA-N 0 0 323.396 3.556 50 0 biogenic DHAARN CC[C@@H](C(=O)NCc1ccc2c(c1)ncn2CC)c1ccccc1 ZINC000064754831 563892964 /nfs/dbraw/zinc/89/29/64/563892964.db2.gz ANLHHTBYEOGQBE-QGZVFWFLSA-N 0 0 321.424 3.866 50 0 DHAARN CC(C)c1ccccc1OCc1nc(C(=O)NC2CC2)cs1 ZINC000036083966 563893046 /nfs/dbraw/zinc/89/30/46/563893046.db2.gz BTLJUSQEXCWAAL-UHFFFAOYSA-N 0 0 316.426 3.738 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3ccc(C)c(C)c3)ccc21 ZINC000064818597 563894482 /nfs/dbraw/zinc/89/44/82/563894482.db2.gz KODJRVSKBATZGO-UHFFFAOYSA-N 0 0 308.385 3.710 50 0 DHAARN O[C@H](CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1 ZINC000066347446 563895375 /nfs/dbraw/zinc/89/53/75/563895375.db2.gz TXPGHNBEYSULQU-LLVKDONJSA-N 0 0 322.386 3.763 50 0 DHAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC(C)C)c12 ZINC000036357693 563896241 /nfs/dbraw/zinc/89/62/41/563896241.db2.gz NGWXIZVWPGDSGB-UHFFFAOYSA-N 0 0 309.369 3.584 50 0 DHAARN COCCNC(=O)c1ccc(-c2ccc3ccccc3c2)s1 ZINC000036357810 563896323 /nfs/dbraw/zinc/89/63/23/563896323.db2.gz MCBPRZPZXOWOEZ-UHFFFAOYSA-N 0 0 311.406 3.945 50 0 DHAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(C)c(F)c1)CCO2 ZINC000006842617 563896737 /nfs/dbraw/zinc/89/67/37/563896737.db2.gz RNVBJWAIVXSGBU-UHFFFAOYSA-N 0 0 300.333 3.873 50 0 DHAARN Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000006845203 563896944 /nfs/dbraw/zinc/89/69/44/563896944.db2.gz CPRPMZJQRGUVOV-CYBMUJFWSA-N 0 0 303.789 3.732 50 0 DHAARN O=C(Nc1nncs1)c1sc2cccc(F)c2c1Cl ZINC000006861925 563896975 /nfs/dbraw/zinc/89/69/75/563896975.db2.gz PIFYEIQWZRETBA-UHFFFAOYSA-N 0 0 313.766 3.798 50 0 DHAARN Cc1ccccc1NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC000006872446 563897544 /nfs/dbraw/zinc/89/75/44/563897544.db2.gz UBFXMKCUYBVWLO-SFHVURJKSA-N 0 0 322.408 3.614 50 0 DHAARN CCc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1 ZINC000036391794 563898035 /nfs/dbraw/zinc/89/80/35/563898035.db2.gz MBBFQOZDLBMCTK-UHFFFAOYSA-N 0 0 301.390 3.717 50 0 DHAARN O=C([C@@H]1CC=CCC1)N(Cc1cccs1)C1CCOCC1 ZINC000207962038 563899029 /nfs/dbraw/zinc/89/90/29/563899029.db2.gz YDTYCEBLJHNFPX-CQSZACIVSA-N 0 0 305.443 3.612 50 0 DHAARN COc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137124 563899828 /nfs/dbraw/zinc/89/98/28/563899828.db2.gz UTSVHTIEZAJYJA-UHFFFAOYSA-N 0 0 318.336 3.802 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc(F)cc1F ZINC000006938490 563899940 /nfs/dbraw/zinc/89/99/40/563899940.db2.gz JYYBWZALOFOSGE-UHFFFAOYSA-N 0 0 320.295 3.786 50 0 DHAARN Cc1ccccc1C(=O)N1CCC(CCOc2ccncc2)CC1 ZINC000065181095 563900690 /nfs/dbraw/zinc/90/06/90/563900690.db2.gz RLGDBSYQIHNFGJ-UHFFFAOYSA-N 0 0 324.424 3.711 50 0 DHAARN CC(C)C(=O)Nc1c2ccccc2oc1C(=O)NC(C)(C)C ZINC000007001826 563901148 /nfs/dbraw/zinc/90/11/48/563901148.db2.gz ZYQVSEYMFAGXKZ-UHFFFAOYSA-N 0 0 302.374 3.556 50 0 DHAARN CCc1cc(C(=O)N(CC)c2ccccc2)c2c(C)noc2n1 ZINC000036621638 563901950 /nfs/dbraw/zinc/90/19/50/563901950.db2.gz WXAXYBVOAHYQQF-UHFFFAOYSA-N 0 0 309.369 3.760 50 0 DHAARN Cc1nc(C(=O)OCc2cc(-c3cccs3)on2)cs1 ZINC000036662607 563902648 /nfs/dbraw/zinc/90/26/48/563902648.db2.gz YYEKTRUPNHUDIA-UHFFFAOYSA-N 0 0 306.368 3.525 50 0 DHAARN Cc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1Cl ZINC000007132383 563903603 /nfs/dbraw/zinc/90/36/03/563903603.db2.gz HAQGWZZALHFBOZ-UHFFFAOYSA-N 0 0 312.756 3.742 50 0 DHAARN COc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1C ZINC000007166477 563904034 /nfs/dbraw/zinc/90/40/34/563904034.db2.gz IMLGYWDTHPWUSW-UHFFFAOYSA-N 0 0 313.309 3.609 50 0 DHAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2cnc(C)cn2)cc1 ZINC000036779311 563904241 /nfs/dbraw/zinc/90/42/41/563904241.db2.gz WFXKEYOSJLHXTN-UHFFFAOYSA-N 0 0 317.392 3.940 50 0 DHAARN O=C(NC1CC1)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000007191792 563904269 /nfs/dbraw/zinc/90/42/69/563904269.db2.gz DADWCLDVOGQKCU-INIZCTEOSA-N 0 0 319.763 3.878 50 0 DHAARN CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(C)cs1 ZINC000007195418 563904288 /nfs/dbraw/zinc/90/42/88/563904288.db2.gz VCRBWCVVVPQLST-MNOVXSKESA-N 0 0 324.475 3.738 50 0 DHAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2F)c1C ZINC000007214111 563904521 /nfs/dbraw/zinc/90/45/21/563904521.db2.gz GLUCZLHLXHRBCD-UHFFFAOYSA-N 0 0 321.417 3.538 50 0 DHAARN O=C(CSCc1ccc(Cl)s1)Nc1nccs1 ZINC000007401103 563906099 /nfs/dbraw/zinc/90/60/99/563906099.db2.gz XZRBOKVLZFEVKY-UHFFFAOYSA-N 0 0 304.849 3.730 50 0 DHAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000007402724 563906128 /nfs/dbraw/zinc/90/61/28/563906128.db2.gz ZXQZYPZYXZSXEG-UHFFFAOYSA-N 0 0 323.801 3.652 50 0 DHAARN O=C1NCc2ccc(N[C@@H](c3ccccc3)c3ccncc3)cc21 ZINC000170593077 563906655 /nfs/dbraw/zinc/90/66/55/563906655.db2.gz DSWXAVRVHZZMBY-IBGZPJMESA-N 0 0 315.376 3.527 50 0 DHAARN C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccncc1 ZINC000170592753 563906759 /nfs/dbraw/zinc/90/67/59/563906759.db2.gz LXVYWXSVJJTCIT-CJNGLKHVSA-N 0 0 316.376 3.952 50 0 DHAARN CSc1nc(C(=O)OC2CCCCCC2)c2ccccn21 ZINC000170595279 563907123 /nfs/dbraw/zinc/90/71/23/563907123.db2.gz ZPZLWDSREITDOI-UHFFFAOYSA-N 0 0 304.415 3.936 50 0 DHAARN Fc1cccc2ncnc(NCCc3cc(F)c(F)c(F)c3)c12 ZINC000170593381 563907159 /nfs/dbraw/zinc/90/71/59/563907159.db2.gz NCDRMOYQPLVWAW-UHFFFAOYSA-N 0 0 321.277 3.841 50 0 DHAARN CCOc1ccc(Nc2nc3ccccc3c3nnc(C)n32)cc1 ZINC000007500061 563907288 /nfs/dbraw/zinc/90/72/88/563907288.db2.gz PAUAXOZEISOCKT-UHFFFAOYSA-N 0 0 319.368 3.728 50 0 DHAARN CCSc1ccc(C(=O)Nc2sc(CC)nc2C)cn1 ZINC000170601203 563907503 /nfs/dbraw/zinc/90/75/03/563907503.db2.gz CHHJDEJJMPELAT-UHFFFAOYSA-N 0 0 307.444 3.773 50 0 DHAARN CCN(Cc1nnc(-c2cccs2)o1)c1cccc(O)c1 ZINC000170608655 563907603 /nfs/dbraw/zinc/90/76/03/563907603.db2.gz MJKPHXGGUBUNGF-UHFFFAOYSA-N 0 0 301.371 3.530 50 0 DHAARN COc1ccc(OC)c(NC(=S)N[C@@H]2CCCC[C@H]2C)c1 ZINC000007529408 563908081 /nfs/dbraw/zinc/90/80/81/563908081.db2.gz DKVLDCUPBQERSW-DGCLKSJQSA-N 0 0 308.447 3.569 50 0 DHAARN CCc1ccccc1N1CCN(Cc2cccc(C)c2)[C@H](C)C1=O ZINC000037275588 563908158 /nfs/dbraw/zinc/90/81/58/563908158.db2.gz VYSBJOSYFZSZQF-QGZVFWFLSA-N 0 0 322.452 3.795 50 0 DHAARN O=C(NCCc1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000007538929 563908380 /nfs/dbraw/zinc/90/83/80/563908380.db2.gz BAXFZUFYUDUNPO-UHFFFAOYSA-N 0 0 311.278 3.817 50 0 DHAARN Cc1ccc(NC(=O)c2ncsc2C(F)(F)F)c(F)c1 ZINC000170614546 563908447 /nfs/dbraw/zinc/90/84/47/563908447.db2.gz BUDFCJSRNPYTNT-UHFFFAOYSA-N 0 0 304.268 3.862 50 0 DHAARN C[C@@H](O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000170617564 563908476 /nfs/dbraw/zinc/90/84/76/563908476.db2.gz ALRYXIRXPPCFTO-SSDOTTSWSA-N 0 0 318.876 3.790 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)c(C)c1 ZINC000007547872 563908580 /nfs/dbraw/zinc/90/85/80/563908580.db2.gz UEMFWMQDPHVOIF-UHFFFAOYSA-N 0 0 315.344 3.546 50 0 DHAARN C[C@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000170621653 563908602 /nfs/dbraw/zinc/90/86/02/563908602.db2.gz LFHLAOFUSPUSMD-CMPLNLGQSA-N 0 0 302.403 3.515 50 0 DHAARN CC(C)[C@H](C(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCC1=O ZINC000170626562 563908801 /nfs/dbraw/zinc/90/88/01/563908801.db2.gz FYKFVGGDZWEHCQ-BVIKNXMNSA-N 0 0 321.461 3.536 50 0 DHAARN C[C@@H]1CCC[C@H](CCNC(=O)Nn2cnc3ccccc32)C1 ZINC000170627492 563908803 /nfs/dbraw/zinc/90/88/03/563908803.db2.gz RSDHKCILDIFVBU-ZIAGYGMSSA-N 0 0 300.406 3.506 50 0 DHAARN C[C@@H](CCC1CCCCC1)OC(=O)c1ccc2nncn2c1 ZINC000170626571 563908863 /nfs/dbraw/zinc/90/88/63/563908863.db2.gz KUWSKMOBNYPXQA-ZDUSSCGKSA-N 0 0 301.390 3.635 50 0 DHAARN Cc1csc(NC(=O)c2sc(-c3ccncc3)nc2C)n1 ZINC000071283542 563909104 /nfs/dbraw/zinc/90/91/04/563909104.db2.gz AJEQTBYAPOFJTA-UHFFFAOYSA-N 0 0 316.411 3.531 50 0 DHAARN COc1ccc(SCCCC(=O)Nc2cc(C)on2)cc1 ZINC000010218045 563909210 /nfs/dbraw/zinc/90/92/10/563909210.db2.gz KXBSBESLNQPUJF-UHFFFAOYSA-N 0 0 306.387 3.503 50 0 DHAARN O=C(Nc1ccc(Cl)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000010026630 563909263 /nfs/dbraw/zinc/90/92/63/563909263.db2.gz QISNWJYHZMIJRY-UHFFFAOYSA-N 0 0 318.735 3.616 50 0 DHAARN Cc1scc(C(=O)NC[C@H]2CCCO2)c1-c1ccccc1 ZINC000013331205 563909687 /nfs/dbraw/zinc/90/96/87/563909687.db2.gz GVRLGFWGSPFGAA-CQSZACIVSA-N 0 0 301.411 3.632 50 0 DHAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(Br)cs2)C1 ZINC000013746792 563910073 /nfs/dbraw/zinc/91/00/73/563910073.db2.gz ZYEBNDNOIQJAKR-IUCAKERBSA-N 0 0 302.237 3.629 50 0 DHAARN Cc1c(NC(=S)Nc2cc(Cl)cc(Cl)c2)cnn1C ZINC000013771614 563910108 /nfs/dbraw/zinc/91/01/08/563910108.db2.gz LZRZQIICLBHBMU-UHFFFAOYSA-N 0 0 315.229 3.844 50 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CCCOc1cccc(NC(=O)c2cn(-c3ccccc3)cn2)c1 ZINC000226754125 563941308 /nfs/dbraw/zinc/94/13/08/563941308.db2.gz NTFSQQKDPWHJAL-UHFFFAOYSA-N 0 0 321.380 3.913 50 0 DHAARN CC(C)NC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 ZINC000227154381 563941316 /nfs/dbraw/zinc/94/13/16/563941316.db2.gz HOLQCPPKQGAZLA-UHFFFAOYSA-N 0 0 305.809 3.508 50 0 DHAARN CCc1onc(C)c1NC(=O)Nc1cccc(Cl)c1COC ZINC000162814578 563941826 /nfs/dbraw/zinc/94/18/26/563941826.db2.gz WJUFLHLETXGVHB-UHFFFAOYSA-N 0 0 323.780 3.989 50 0 DHAARN COc1ccc(NC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cn1 ZINC000230192177 563941974 /nfs/dbraw/zinc/94/19/74/563941974.db2.gz WIKZKQGCGLMZFV-AEGPPILISA-N 0 0 303.406 3.523 50 0 DHAARN Cc1cccc(C)c1NC(=O)CSCCc1ccccn1 ZINC000003065781 563941982 /nfs/dbraw/zinc/94/19/82/563941982.db2.gz MGRLDQNPEHIJQE-UHFFFAOYSA-N 0 0 300.427 3.613 50 0 DHAARN COc1ccc(C=O)c(Br)c1OCc1ccccc1 ZINC000003124372 563942307 /nfs/dbraw/zinc/94/23/07/563942307.db2.gz WYPLBZRAXZYRIN-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN CCc1cc(C(=O)NCCOc2ccc(F)cc2)sc1C ZINC000030132523 563942533 /nfs/dbraw/zinc/94/25/33/563942533.db2.gz OWCFLHIDYQCFNO-UHFFFAOYSA-N 0 0 307.390 3.567 50 0 DHAARN Cc1ccc(NC(=O)CSc2ncnc3ccccc32)cc1C ZINC000003244284 563943101 /nfs/dbraw/zinc/94/31/01/563943101.db2.gz LAOOLYZOVFQCNB-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN CC(C)Cn1nnnc1SCc1cccc(C(F)(F)F)c1 ZINC000057887770 563943153 /nfs/dbraw/zinc/94/31/53/563943153.db2.gz DGYIZQNVBOBVOA-UHFFFAOYSA-N 0 0 316.352 3.640 50 0 DHAARN CSc1ccc(Cl)c(C(=O)OCC(=O)C(C)(C)C)c1 ZINC000003263261 563943280 /nfs/dbraw/zinc/94/32/80/563943280.db2.gz PCSKKAFFQDEEKL-UHFFFAOYSA-N 0 0 300.807 3.834 50 0 DHAARN C[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000003354573 563943711 /nfs/dbraw/zinc/94/37/11/563943711.db2.gz RHBSBJVODWGSLF-SNVBAGLBSA-N 0 0 309.287 3.918 50 0 DHAARN COc1ccc(C)cc1N[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000003342545 563943714 /nfs/dbraw/zinc/94/37/14/563943714.db2.gz OOWPNHNGVOBDCJ-RBSFLKMASA-N 0 0 304.434 3.594 50 0 DHAARN Cc1csc(S[C@H](C)C(=O)N2CCCc3ccccc32)n1 ZINC000003391674 563943853 /nfs/dbraw/zinc/94/38/53/563943853.db2.gz WCOKCUJIRUFWAG-GFCCVEGCSA-N 0 0 318.467 3.912 50 0 DHAARN Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@H](C(C)C)C1=O ZINC000031080750 563944097 /nfs/dbraw/zinc/94/40/97/563944097.db2.gz NFJAPKMFBRONFZ-MRXNPFEDSA-N 0 0 316.445 3.677 50 0 DHAARN Cc1ccc(-c2nc(C(=O)Nc3cccc4c[nH]nc43)cs2)o1 ZINC000031277076 563944483 /nfs/dbraw/zinc/94/44/83/563944483.db2.gz BQZNWRMACPPKPA-UHFFFAOYSA-N 0 0 324.365 3.840 50 0 DHAARN CN(Cc1ccco1)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000031459223 563944551 /nfs/dbraw/zinc/94/45/51/563944551.db2.gz PVRPPVIPOWJOES-UHFFFAOYSA-N 0 0 322.364 3.526 50 0 DHAARN CCN(CC)c1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1 ZINC000031906836 563945038 /nfs/dbraw/zinc/94/50/38/563945038.db2.gz CXIJJQKIGDHKNN-UHFFFAOYSA-N 0 0 324.384 3.768 50 0 DHAARN O=C(Cc1cccs1)Nc1cccc(Oc2ncccn2)c1 ZINC000032027852 563945089 /nfs/dbraw/zinc/94/50/89/563945089.db2.gz CFWPCPINXUMKQQ-UHFFFAOYSA-N 0 0 311.366 3.512 50 0 DHAARN Cc1cc(=O)oc2c3c(ccc12)OC(=O)/C3=C/c1ccccc1 ZINC000032274602 563945482 /nfs/dbraw/zinc/94/54/82/563945482.db2.gz JQYQJGSOIGYJAS-GXDHUFHOSA-N 0 0 304.301 3.561 50 0 DHAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000263375557 563945795 /nfs/dbraw/zinc/94/57/95/563945795.db2.gz AJIXXQNRPZWELF-GFCCVEGCSA-N 0 0 321.726 3.798 50 0 DHAARN COCCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000008036794 563946280 /nfs/dbraw/zinc/94/62/80/563946280.db2.gz NZFWSWXXWCXYKX-UHFFFAOYSA-N 0 0 303.402 3.560 50 0 DHAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)ccn1 ZINC000008025771 563946304 /nfs/dbraw/zinc/94/63/04/563946304.db2.gz ZTVAIHWTAMZWRG-UHFFFAOYSA-N 0 0 316.773 3.506 50 0 DHAARN CCc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000008076064 563946551 /nfs/dbraw/zinc/94/65/51/563946551.db2.gz XZGVGCHJUUQHJX-UHFFFAOYSA-N 0 0 322.408 3.557 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1COc2ccccc2C1 ZINC000008113088 563946568 /nfs/dbraw/zinc/94/65/68/563946568.db2.gz OBRKRLHOJVCJMK-GFCCVEGCSA-N 0 0 321.298 3.895 50 0 DHAARN Cc1nc(COc2ccc(C(=O)NC3CCCC3)cc2)cs1 ZINC000008076319 563946636 /nfs/dbraw/zinc/94/66/36/563946636.db2.gz SSJPBQDKDTZMPH-UHFFFAOYSA-N 0 0 316.426 3.703 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccccn1 ZINC000008129407 563946804 /nfs/dbraw/zinc/94/68/04/563946804.db2.gz NIAPVDWNTBGFTM-GFCCVEGCSA-N 0 0 307.353 3.536 50 0 DHAARN Cc1nnc(N2CCC(Sc3cccc(C)c3)CC2)s1 ZINC000670468765 563946926 /nfs/dbraw/zinc/94/69/26/563946926.db2.gz NWMRSTXLXCSDKV-UHFFFAOYSA-N 0 0 305.472 3.916 50 0 DHAARN Cc1ccsc1-c1cccc(NC(=O)c2ccc(=O)n(C)c2)c1 ZINC000066553205 563947052 /nfs/dbraw/zinc/94/70/52/563947052.db2.gz AJGCWXILUNKRMN-UHFFFAOYSA-N 0 0 324.405 3.675 50 0 DHAARN CCc1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 ZINC000008202928 563947117 /nfs/dbraw/zinc/94/71/17/563947117.db2.gz VDJHBUUUKISBOF-UHFFFAOYSA-N 0 0 313.213 3.505 50 0 DHAARN Cc1ccccc1-c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 ZINC000008225695 563947144 /nfs/dbraw/zinc/94/71/44/563947144.db2.gz YBVQBAJGJZRJEX-UHFFFAOYSA-N 0 0 310.378 3.590 50 0 DHAARN O=C(CSCc1coc(-c2cccs2)n1)NCC1CCC1 ZINC000066586061 563947209 /nfs/dbraw/zinc/94/72/09/563947209.db2.gz AABGWYKPATWBSJ-UHFFFAOYSA-N 0 0 322.455 3.553 50 0 DHAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 ZINC000008244263 563947290 /nfs/dbraw/zinc/94/72/90/563947290.db2.gz GEJBCHDTOPZWRU-UHFFFAOYSA-N 0 0 318.348 3.847 50 0 DHAARN CN1C(=O)Cc2cc(-c3csc(-c4ccccc4)n3)ccc21 ZINC000008270353 563947470 /nfs/dbraw/zinc/94/74/70/563947470.db2.gz LRULXRSWTYFHFD-UHFFFAOYSA-N 0 0 306.390 3.996 50 0 DHAARN O=C(NC1CC1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 ZINC000008290227 563947581 /nfs/dbraw/zinc/94/75/81/563947581.db2.gz OHGCAEDTKFRENU-INIZCTEOSA-N 0 0 324.405 3.940 50 0 DHAARN O=C1COc2ccc(-c3csc(-c4ccc(O)cc4)n3)cc2N1 ZINC000008297561 563947691 /nfs/dbraw/zinc/94/76/91/563947691.db2.gz HWOBQEQXDCBPGV-UHFFFAOYSA-N 0 0 324.361 3.514 50 0 DHAARN Cc1ccc(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)s1 ZINC000008314588 563947926 /nfs/dbraw/zinc/94/79/26/563947926.db2.gz VPBWPVLMQRLBQV-UHFFFAOYSA-N 0 0 317.410 3.849 50 0 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318.376 3.936 50 0 DHAARN CCc1ccc(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 ZINC000008710181 563949909 /nfs/dbraw/zinc/94/99/09/563949909.db2.gz JQHZIRIYFQUWCK-GOSISDBHSA-N 0 0 319.408 3.686 50 0 DHAARN COc1cccc(CSc2nncn2-c2ccccc2C)c1 ZINC000008711017 563949971 /nfs/dbraw/zinc/94/99/71/563949971.db2.gz GIIULVBGKKWPRP-UHFFFAOYSA-N 0 0 311.410 3.877 50 0 DHAARN Cc1occc1-c1nnc(SCc2cccc(F)c2)n1C ZINC000008709021 563950069 /nfs/dbraw/zinc/95/00/69/563950069.db2.gz GAIHNAFGNORIPO-UHFFFAOYSA-N 0 0 303.362 3.815 50 0 DHAARN COc1ccc(Nc2cc(Nc3ccc(OC)cc3)[nH]n2)cc1 ZINC000008753700 563950658 /nfs/dbraw/zinc/95/06/58/563950658.db2.gz NEAHQRZNOCDLKO-UHFFFAOYSA-N 0 0 310.357 3.914 50 0 DHAARN c1ccc(COc2cccc3ccc(N4CCOCC4)nc32)cc1 ZINC000008769638 563950718 /nfs/dbraw/zinc/95/07/18/563950718.db2.gz NCEVQJPQWIHHFJ-UHFFFAOYSA-N 0 0 320.392 3.650 50 0 DHAARN CCCOc1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 ZINC000008868598 563950935 /nfs/dbraw/zinc/95/09/35/563950935.db2.gz WQNWUPHIFUUQOZ-UHFFFAOYSA-N 0 0 323.352 3.778 50 0 DHAARN CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000068425784 563951133 /nfs/dbraw/zinc/95/11/33/563951133.db2.gz LZWWYQRGRBBGBX-KRWDZBQOSA-N 0 0 324.424 3.859 50 0 DHAARN Cc1ccc(OCCCC(=O)OCCCc2cccnc2)cc1 ZINC000068375377 563951183 /nfs/dbraw/zinc/95/11/83/563951183.db2.gz OCIYZCKPODAKDY-UHFFFAOYSA-N 0 0 313.397 3.725 50 0 DHAARN O=C(Cc1ccccc1)Nc1nonc1-c1ccc(Cl)cc1 ZINC000008915666 563951276 /nfs/dbraw/zinc/95/12/76/563951276.db2.gz KQOAJBBXEIHHLA-UHFFFAOYSA-N 0 0 313.744 3.571 50 0 DHAARN O[C@@H](CNc1nc2ccccc2o1)c1ccccc1C(F)(F)F ZINC000068998395 563951502 /nfs/dbraw/zinc/95/15/02/563951502.db2.gz OSBFSJQBGKZLIJ-ZDUSSCGKSA-N 0 0 322.286 3.992 50 0 DHAARN O=C(Nc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000008941130 563951519 /nfs/dbraw/zinc/95/15/19/563951519.db2.gz BPPRZYJRJOTQHL-UHFFFAOYSA-N 0 0 321.380 3.683 50 0 DHAARN CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCCCCC1 ZINC000040158874 563951732 /nfs/dbraw/zinc/95/17/32/563951732.db2.gz ALWRLGHWMUDTMO-HNNXBMFYSA-N 0 0 324.465 3.567 50 0 DHAARN Cn1cc([C@@H]2C[C@H]2C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 ZINC000069148371 563951978 /nfs/dbraw/zinc/95/19/78/563951978.db2.gz MEUKTRUBRBVPNB-RBUKOAKNSA-N 0 0 318.376 3.796 50 0 DHAARN Cc1ccc(C)c(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 ZINC000009056651 563952040 /nfs/dbraw/zinc/95/20/40/563952040.db2.gz SIJYKOZHCPRDFL-UHFFFAOYSA-N 0 0 324.405 3.515 50 0 DHAARN Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(F)cc2)n1 ZINC000069218428 563952104 /nfs/dbraw/zinc/95/21/04/563952104.db2.gz VPCVJVXHBAWZSO-WDEREUQCSA-N 0 0 307.394 3.712 50 0 DHAARN CC(C)CCNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000009049932 563952140 /nfs/dbraw/zinc/95/21/40/563952140.db2.gz OQVRXDVEOQDWGK-UHFFFAOYSA-N 0 0 316.426 3.776 50 0 DHAARN CCCOc1nn(CCC)cc1C(=O)Nc1cc(F)ccc1F ZINC000009071023 563952202 /nfs/dbraw/zinc/95/22/02/563952202.db2.gz VFMIBGJCVBVFLV-UHFFFAOYSA-N 0 0 323.343 3.612 50 0 DHAARN CC[C@H]1CCCCN1S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000009061986 563952247 /nfs/dbraw/zinc/95/22/47/563952247.db2.gz 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CC[C@H](NC(=O)c1ccc2ncccc2c1)c1ccc(C)cn1 ZINC000220184681 1024572373 /nfs/dbraw/zinc/57/23/73/1024572373.db2.gz UMYBXXGLUWXIFZ-INIZCTEOSA-N 0 0 305.381 3.819 50 0 DHAARN CCOc1ccc(Br)cc1CNCc1ccco1 ZINC000007523722 1024655855 /nfs/dbraw/zinc/65/58/55/1024655855.db2.gz GJCOIRQMCDBVQR-UHFFFAOYSA-N 0 0 310.191 3.731 50 0 DHAARN CCCc1nc(C)c(CNc2ccc(C(=O)NC)c(Cl)c2)o1 ZINC000888093180 1024674906 /nfs/dbraw/zinc/67/49/06/1024674906.db2.gz NVITXRSTACLTKD-UHFFFAOYSA-N 0 0 321.808 3.561 50 0 DHAARN CC[C@H](NC(=O)N1CC[C@@]2(C1)CCCOC2)c1csc(C)c1 ZINC000888094417 1024680983 /nfs/dbraw/zinc/68/09/83/1024680983.db2.gz ZDCLQURXUFNZEC-DOTOQJQBSA-N 0 0 322.474 3.720 50 0 DHAARN O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1ccon1 ZINC000122024532 1024749761 /nfs/dbraw/zinc/74/97/61/1024749761.db2.gz AYFOXQKOCCZOFH-UHFFFAOYSA-N 0 0 306.312 3.542 50 0 DHAARN Cc1ccc(C)c(OCCOC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000025048490 1025217276 /nfs/dbraw/zinc/21/72/76/1025217276.db2.gz VUSXYXIYMYOMFC-UHFFFAOYSA-N 0 0 323.392 3.949 50 0 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SZXZBJMGRWOAIZ-UHFFFAOYSA-N 0 0 308.447 3.817 50 0 DHAARN CCOc1ccc(-c2n[nH]cc2-c2ccccc2OC)c(O)c1 ZINC000005817635 1026416327 /nfs/dbraw/zinc/41/63/27/1026416327.db2.gz UFMJMIJPZNNKMI-UHFFFAOYSA-N 0 0 310.353 3.857 50 0 DHAARN O=c1nc([C@H]2CSCCS2)[nH]c2sc3ccccc3c21 ZINC000079927922 1027011020 /nfs/dbraw/zinc/01/10/20/1027011020.db2.gz ASINOZDPADENDB-SNVBAGLBSA-N 0 0 320.464 3.659 50 0 DHAARN FC(F)(F)Oc1ccc2c(c1)[C@@H](NCc1nccs1)CC2 ZINC000128236205 1027802732 /nfs/dbraw/zinc/80/27/32/1027802732.db2.gz YHCFVPYVIHMHOY-LBPRGKRZSA-N 0 0 314.332 3.819 50 0 DHAARN Cc1cccc(NC(=O)/C=C/c2cc(F)cc3c2OCOC3)c1 ZINC000008936321 1028292262 /nfs/dbraw/zinc/29/22/62/1028292262.db2.gz JGCQPVYSUKQDAD-AATRIKPKSA-N 0 0 313.328 3.653 50 0 DHAARN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CCc2ccc(Cl)cc21 ZINC000844845326 1028443363 /nfs/dbraw/zinc/44/33/63/1028443363.db2.gz QVUBXKKMJITDNF-JTQLQIEISA-N 0 0 313.775 3.874 50 0 DHAARN CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ncncc1Cl)CC2 ZINC000189214918 1028561528 /nfs/dbraw/zinc/56/15/28/1028561528.db2.gz ZWEJOUCGBODWMV-HNNXBMFYSA-N 0 0 315.804 3.671 50 0 DHAARN O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2c(=O)s1 ZINC000012030456 1028967783 /nfs/dbraw/zinc/96/77/83/1028967783.db2.gz HFWUVEIDSPJJBN-UHFFFAOYSA-N 0 0 316.769 3.562 50 0 DHAARN CN(Cc1nccn1C(F)F)Cc1ccc(OCC2CC2)cc1 ZINC000191235407 1029328654 /nfs/dbraw/zinc/32/86/54/1029328654.db2.gz FFEJOFQUSAWNFF-UHFFFAOYSA-N 0 0 321.371 3.699 50 0 DHAARN COCCC1(C(=O)N[C@H]2CCCc3ccccc32)CCCC1 ZINC000156019488 1029361103 /nfs/dbraw/zinc/36/11/03/1029361103.db2.gz VSIFXQHYRNNPTP-KRWDZBQOSA-N 0 0 301.430 3.777 50 0 DHAARN CC(C)c1cc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)n(C(C)C)n1 ZINC000585083689 1029634119 /nfs/dbraw/zinc/63/41/19/1029634119.db2.gz LZWAZOJEDFSCSM-CZUORRHYSA-N 0 0 307.438 3.587 50 0 DHAARN Cn1ncc2c1CCC[C@@H]2NCc1oc2ccccc2c1Cl ZINC000585118555 1029782551 /nfs/dbraw/zinc/78/25/51/1029782551.db2.gz TZAXBFOMPVBCBU-ZDUSSCGKSA-N 0 0 315.804 3.987 50 0 DHAARN Cn1ncc2c1CCC[C@H]2NCc1oc2ccccc2c1Cl ZINC000585118554 1029782979 /nfs/dbraw/zinc/78/29/79/1029782979.db2.gz TZAXBFOMPVBCBU-CYBMUJFWSA-N 0 0 315.804 3.987 50 0 DHAARN CO[C@H]1CCC[C@H](Sc2nnc(-c3cccs3)n2C)C1 ZINC000585118911 1029783831 /nfs/dbraw/zinc/78/38/31/1029783831.db2.gz HRRBEFLXJPALDW-QWRGUYRKSA-N 0 0 309.460 3.593 50 0 DHAARN CSC[C@@H](C)c1nc(Cc2nsc3ccccc23)no1 ZINC000585120266 1029793852 /nfs/dbraw/zinc/79/38/52/1029793852.db2.gz CQOJPGAYIRKYDO-SECBINFHSA-N 0 0 305.428 3.737 50 0 DHAARN O=c1nc(Cl)cc(N2CCCC[C@H]2Cc2ccccc2F)[nH]1 ZINC000585123312 1029795460 /nfs/dbraw/zinc/79/54/60/1029795460.db2.gz KUTHJTDJALDTQA-LBPRGKRZSA-N 0 0 321.783 3.576 50 0 DHAARN Cc1noc(C)c1NC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000264037530 1031191596 /nfs/dbraw/zinc/19/15/96/1031191596.db2.gz JBNWOBWVENDFOP-ZDUSSCGKSA-N 0 0 305.765 3.754 50 0 DHAARN CC1(C)CCC[C@H](C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000179323475 1031210300 /nfs/dbraw/zinc/21/03/00/1031210300.db2.gz RXPXDMTVRBEGTJ-LBPRGKRZSA-N 0 0 316.380 3.561 50 0 DHAARN O=C(/C=C\c1cccs1)Nc1nc(-c2cccnc2)cs1 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CCOC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000002485466 1036090745 /nfs/dbraw/zinc/09/07/45/1036090745.db2.gz XBPJSTMTQLFAII-UHFFFAOYSA-N 0 0 316.228 3.769 50 0 DHAARN C[C@@H](CC(=O)NCCc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000071185245 1036666077 /nfs/dbraw/zinc/66/60/77/1036666077.db2.gz OSMLLESXBYTKOO-LBPRGKRZSA-N 0 0 316.376 3.576 50 0 DHAARN O=C(Nc1ccc(Br)cn1)c1cccc(Cl)c1 ZINC000001228821 1036962745 /nfs/dbraw/zinc/96/27/45/1036962745.db2.gz AMDLCYLFALUCBJ-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN O=C(Nc1nnc(/C=C/c2ccco2)s1)C1[C@@H]2CCCC[C@H]12 ZINC000152576970 1037421466 /nfs/dbraw/zinc/42/14/66/1037421466.db2.gz VCSUILHFFPRRIT-KWVYFZFUSA-N 0 0 315.398 3.676 50 0 DHAARN CC[C@H](NC(=O)C(=O)N[C@@H](CC)c1ccccc1)c1ccccc1 ZINC000252571712 1037837806 /nfs/dbraw/zinc/83/78/06/1037837806.db2.gz YLCGNMOITJLZJM-ROUUACIJSA-N 0 0 324.424 3.521 50 0 DHAARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cn2)c1 ZINC000134536268 1037853860 /nfs/dbraw/zinc/85/38/60/1037853860.db2.gz XGAGCUWLIPBWKL-INIZCTEOSA-N 0 0 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CC(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169817791 197759342 /nfs/dbraw/zinc/75/93/42/197759342.db2.gz RSMNOOYPERURGE-UHFFFAOYSA-N 0 0 302.493 3.567 50 0 DHAARN COc1ccccc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000044845655 190673934 /nfs/dbraw/zinc/67/39/34/190673934.db2.gz RGPFXRWUWAKMMZ-UHFFFAOYSA-N 0 0 308.740 3.809 50 0 DHAARN C=Cc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000170595741 197783273 /nfs/dbraw/zinc/78/32/73/197783273.db2.gz NJKDNHLVHYITPQ-CYBMUJFWSA-N 0 0 311.381 3.838 50 0 DHAARN Cc1cc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)on1 ZINC000170600735 197785283 /nfs/dbraw/zinc/78/52/83/197785283.db2.gz XJMKBAWCGWKCDG-UHFFFAOYSA-N 0 0 313.382 3.596 50 0 DHAARN CCn1cnc2ccc(-c3noc(-c4cccc(F)c4)n3)cc21 ZINC000064759498 190704762 /nfs/dbraw/zinc/70/47/62/190704762.db2.gz SHUZBNVQBORMMV-UHFFFAOYSA-N 0 0 308.316 3.912 50 0 DHAARN Cc1nc(Nc2cc(C)ccn2)sc1C(=O)N1CCCCC1 ZINC000065306251 190707021 /nfs/dbraw/zinc/70/70/21/190707021.db2.gz ZHJNHXULVYOXCQ-UHFFFAOYSA-N 0 0 316.430 3.525 50 0 DHAARN CSc1cccc(CN(C(=O)Cc2ccncc2)C(C)C)c1 ZINC000067514869 190710491 /nfs/dbraw/zinc/71/04/91/190710491.db2.gz XRYKSOLXHCPRQC-UHFFFAOYSA-N 0 0 314.454 3.783 50 0 DHAARN COc1ccccc1[C@@H](C)N(C)C(=O)Cc1ccc(F)cc1C ZINC000067771856 190720642 /nfs/dbraw/zinc/72/06/42/190720642.db2.gz HISSEKHENQBDKL-CQSZACIVSA-N 0 0 315.388 3.905 50 0 DHAARN CCn1c(C)cc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)c1C ZINC000068480694 190770454 /nfs/dbraw/zinc/77/04/54/190770454.db2.gz SMXUBDBGWCHVPC-MRXNPFEDSA-N 0 0 316.376 3.518 50 0 DHAARN Cc1noc(C)c1CNC(=O)CS[C@H](C)c1ccc(F)cc1 ZINC000069771773 190814926 /nfs/dbraw/zinc/81/49/26/190814926.db2.gz OELFVBKCAQJSRP-GFCCVEGCSA-N 0 0 322.405 3.541 50 0 DHAARN Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)no1 ZINC000070013128 190849636 /nfs/dbraw/zinc/84/96/36/190849636.db2.gz XRCCOXBJHULHND-LLVKDONJSA-N 0 0 317.242 3.547 50 0 DHAARN O=C(OC1CCCCCC1)c1ccc(OCC(F)(F)F)nc1 ZINC000070036440 190851626 /nfs/dbraw/zinc/85/16/26/190851626.db2.gz XASQEOHEKSGEKE-UHFFFAOYSA-N 0 0 317.307 3.902 50 0 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317.458 3.921 50 0 DHAARN CNc1nc(CN2CCCC[C@H]2c2cccc(OC)c2)cs1 ZINC000072134648 191046482 /nfs/dbraw/zinc/04/64/82/191046482.db2.gz FCNHUHCIDYCIHR-INIZCTEOSA-N 0 0 317.458 3.921 50 0 DHAARN Cc1nc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)cs1 ZINC000072145433 191051027 /nfs/dbraw/zinc/05/10/27/191051027.db2.gz NKWJESYXMDREGO-OAHLLOKOSA-N 0 0 316.405 3.804 50 0 DHAARN CSCc1noc(CN2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000072146536 191053396 /nfs/dbraw/zinc/05/33/96/191053396.db2.gz YBCJPFZUAPZEFP-AWEZNQCLSA-N 0 0 321.421 3.799 50 0 DHAARN c1csc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)n1 ZINC000072153282 191058070 /nfs/dbraw/zinc/05/80/70/191058070.db2.gz NOMHKCNDDGHBDL-UHFFFAOYSA-N 0 0 307.382 3.694 50 0 DHAARN CCc1nnc(CN2CCC[C@H]2c2nc3ccccc3s2)o1 ZINC000072155020 191059811 /nfs/dbraw/zinc/05/98/11/191059811.db2.gz QXVUAWRAXIAASC-LBPRGKRZSA-N 0 0 314.414 3.579 50 0 DHAARN O=C([O-])c1ccccc1[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000072159101 191061831 /nfs/dbraw/zinc/06/18/31/191061831.db2.gz VFNULNZFKBVEAC-NADMHLTPSA-N 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DHAARN CC[C@@H](C)C(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 ZINC000072264890 191089527 /nfs/dbraw/zinc/08/95/27/191089527.db2.gz ZHBFMBGLPGAXAC-GFCCVEGCSA-N 0 0 318.442 3.524 50 0 DHAARN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CCC1 ZINC000072271623 191094606 /nfs/dbraw/zinc/09/46/06/191094606.db2.gz ZIQJUEWTUSOGIN-CYBMUJFWSA-N 0 0 315.442 3.903 50 0 DHAARN Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2csc(C)n2)c(C)o1 ZINC000072271577 191093717 /nfs/dbraw/zinc/09/37/17/191093717.db2.gz JDQCAWCPQCQIQO-ZJUUUORDSA-N 0 0 307.419 3.783 50 0 DHAARN CCN(CC)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000072271368 191093871 /nfs/dbraw/zinc/09/38/71/191093871.db2.gz YLCBLQPPGCRYSO-GFCCVEGCSA-N 0 0 303.431 3.923 50 0 DHAARN CCn1nc(C)cc1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000072280608 191102164 /nfs/dbraw/zinc/10/21/64/191102164.db2.gz NLGIWEOKQDZAJX-CYBMUJFWSA-N 0 0 315.442 3.743 50 0 DHAARN Cc1csc([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 ZINC000072298899 191113721 /nfs/dbraw/zinc/11/37/21/191113721.db2.gz HBDADKCEAFUDAW-CQSZACIVSA-N 0 0 318.417 3.539 50 0 DHAARN O=C(Nc1ccn2nccc2c1)Nc1ccccc1C(F)(F)F ZINC000225596071 186281726 /nfs/dbraw/zinc/28/17/26/186281726.db2.gz PLRAQIDRDKTFGS-UHFFFAOYSA-N 0 0 320.274 3.997 50 0 DHAARN C[C@H](NC(=O)[C@H](C)C(F)(F)F)c1ccccc1Br ZINC000072302700 191116168 /nfs/dbraw/zinc/11/61/68/191116168.db2.gz RMKPPONDOGSKDM-YUMQZZPRSA-N 0 0 324.140 3.825 50 0 DHAARN CCO[C@@H]1C[C@@H](NC(=O)c2sc(C)cc2OC)C12CCCC2 ZINC000072303473 191116171 /nfs/dbraw/zinc/11/61/71/191116171.db2.gz LCJQZXDRXVBNQO-ZIAGYGMSSA-N 0 0 323.458 3.533 50 0 DHAARN CCC1=C(C(=O)N[C@@H](CC)c2nc3ccccc3[nH]2)CCCO1 ZINC000225629717 186284940 /nfs/dbraw/zinc/28/49/40/186284940.db2.gz KJNARWFVHDDDKK-ZDUSSCGKSA-N 0 0 313.401 3.605 50 0 DHAARN Cc1cc2c(ncnc2SCCO[C@H]2CCCCO2)s1 ZINC000225640127 186286451 /nfs/dbraw/zinc/28/64/51/186286451.db2.gz IHYLDMAXIYYWSC-LBPRGKRZSA-N 0 0 310.444 3.635 50 0 DHAARN Cc1nc2cc(NC(=O)[C@@H](CC(C)C)n3cccc3)ccc2[nH]1 ZINC000253413644 186310541 /nfs/dbraw/zinc/31/05/41/186310541.db2.gz VHUABQCFRADEPA-QGZVFWFLSA-N 0 0 310.401 3.899 50 0 DHAARN CCCc1occc1C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000253394742 186304362 /nfs/dbraw/zinc/30/43/62/186304362.db2.gz ANAJWVMIBUMKQT-AWEZNQCLSA-N 0 0 304.415 3.974 50 0 DHAARN O=C(N[C@H]1CCCc2ccccc21)c1ccnc(OCC2CC2)c1 ZINC000253400902 186307094 /nfs/dbraw/zinc/30/70/94/186307094.db2.gz MDSRYSUGVSSTMK-SFHVURJKSA-N 0 0 322.408 3.678 50 0 DHAARN CC(C)Nc1ccc(C(=O)Nc2ccc3ncccc3c2)cn1 ZINC000072311883 191119852 /nfs/dbraw/zinc/11/98/52/191119852.db2.gz GUHYMQBEPQYEMH-UHFFFAOYSA-N 0 0 306.369 3.702 50 0 DHAARN C[C@@H](Oc1ccccc1C(N)=O)c1ncc(-c2ccccc2)o1 ZINC000072311180 191119753 /nfs/dbraw/zinc/11/97/53/191119753.db2.gz KFXWGTYQCWWACO-GFCCVEGCSA-N 0 0 308.337 3.581 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000072328223 191122712 /nfs/dbraw/zinc/12/27/12/191122712.db2.gz UQQYOXULQYCWAZ-LBPRGKRZSA-N 0 0 309.344 3.707 50 0 DHAARN COc1cc(C(=O)N[C@@H]2CCc3ccccc32)nc2ccccc21 ZINC000072329597 191124355 /nfs/dbraw/zinc/12/43/55/191124355.db2.gz DBJIFTLNCCYRMY-QGZVFWFLSA-N 0 0 318.376 3.661 50 0 DHAARN CCOc1ccccc1CNC(=O)c1cc(F)ccc1Cl ZINC000072331777 191124950 /nfs/dbraw/zinc/12/49/50/191124950.db2.gz ANTXZWIGKPMUNR-UHFFFAOYSA-N 0 0 307.752 3.808 50 0 DHAARN COc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000000035616 180673546 /nfs/dbraw/zinc/67/35/46/180673546.db2.gz MBPTYMXDDQFXDI-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN Cc1ncsc1CCN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC000072406865 191152736 /nfs/dbraw/zinc/15/27/36/191152736.db2.gz XSJJCVXVRRHCIE-OAHLLOKOSA-N 0 0 314.454 3.573 50 0 DHAARN COc1cccc(NC2=NC(=O)SC2=Cc2cccnc2)c1 ZINC000072400419 191150767 /nfs/dbraw/zinc/15/07/67/191150767.db2.gz BMMOALONCLQHKS-ZSOIEALJSA-N 0 0 311.366 3.809 50 0 DHAARN O=C(NCCc1nccs1)c1cc2c(cccc2Cl)s1 ZINC000072404418 191151828 /nfs/dbraw/zinc/15/18/28/191151828.db2.gz NWGALCLZJAPZST-UHFFFAOYSA-N 0 0 322.842 3.984 50 0 DHAARN Fc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000000078850 180685890 /nfs/dbraw/zinc/68/58/90/180685890.db2.gz MEATVWYCPZCJEU-UHFFFAOYSA-N 0 0 306.300 3.723 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000000097598 180691041 /nfs/dbraw/zinc/69/10/41/180691041.db2.gz AOCBOUMUKOXENN-UHFFFAOYSA-N 0 0 303.745 3.672 50 0 DHAARN Cc1cc2nc(C)cc(N(C)Cc3cnc4ccccc4c3)n2n1 ZINC000072424655 191160608 /nfs/dbraw/zinc/16/06/08/191160608.db2.gz LHIIIBRKMZNNAT-UHFFFAOYSA-N 0 0 317.396 3.531 50 0 DHAARN Cc1cc(C)c2c(N)c(C(=O)N(C)c3ccccc3)sc2n1 ZINC000000109792 180696343 /nfs/dbraw/zinc/69/63/43/180696343.db2.gz RDTCPQBBPPLXDH-UHFFFAOYSA-N 0 0 311.410 3.772 50 0 DHAARN C[C@H]1CCC(=O)N1c1ccc(-n2ccnc2-c2ccoc2)cc1 ZINC000072430110 191162635 /nfs/dbraw/zinc/16/26/35/191162635.db2.gz OYSQORZEQVRHIJ-ZDUSSCGKSA-N 0 0 307.353 3.648 50 0 DHAARN CN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@H]1CCCC[C@H]1O ZINC000072437673 191165890 /nfs/dbraw/zinc/16/58/90/191165890.db2.gz KFBUKNQVZPRJGU-DLBZAZTESA-N 0 0 323.392 3.962 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCCC1 ZINC000072437481 191165916 /nfs/dbraw/zinc/16/59/16/191165916.db2.gz YSEXXBVLUVXLKN-UHFFFAOYSA-N 0 0 314.429 3.832 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1Cl ZINC000000143739 180707081 /nfs/dbraw/zinc/70/70/81/180707081.db2.gz UFIZKIFNRSHCOH-UHFFFAOYSA-N 0 0 307.708 3.503 50 0 DHAARN Cc1ccc(Oc2cccc(C(=O)Nc3ccccc3F)c2)nn1 ZINC000072446672 191169045 /nfs/dbraw/zinc/16/90/45/191169045.db2.gz AZEOXGKWJAQCAF-UHFFFAOYSA-N 0 0 323.327 3.969 50 0 DHAARN O=C(Nc1sccc1-n1cccc1)NC1Cc2ccccc2C1 ZINC000000148030 180708119 /nfs/dbraw/zinc/70/81/19/180708119.db2.gz MXOMGKVFUZLYCB-UHFFFAOYSA-N 0 0 323.421 3.828 50 0 DHAARN COc1ccc(NC(=O)CSCc2ccccc2F)cc1 ZINC000000148701 180708824 /nfs/dbraw/zinc/70/88/24/180708824.db2.gz RNZDYTJXAKLSTE-UHFFFAOYSA-N 0 0 305.374 3.706 50 0 DHAARN CCOC(=O)c1cc(C(C)(C)C)nn1Cc1cccc(C)c1 ZINC000000166897 180712738 /nfs/dbraw/zinc/71/27/38/180712738.db2.gz NAILUNOYAKADCU-UHFFFAOYSA-N 0 0 300.402 3.714 50 0 DHAARN Cc1nccn1-c1ccc(CNc2ccc3cc[nH]c3n2)cc1 ZINC000072479390 191178875 /nfs/dbraw/zinc/17/88/75/191178875.db2.gz RWHDPGGLOAHAKY-UHFFFAOYSA-N 0 0 303.369 3.669 50 0 DHAARN COC(=O)[C@H](C(C)=O)C1c2ccccc2Sc2ccccc21 ZINC000000209177 180726146 /nfs/dbraw/zinc/72/61/46/180726146.db2.gz CFYIGZAFWPXVOV-MRXNPFEDSA-N 0 0 312.390 3.661 50 0 DHAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(C)C)CSC2 ZINC000000190324 180720499 /nfs/dbraw/zinc/72/04/99/180720499.db2.gz YTAFXYMNRKJJAE-UHFFFAOYSA-N 0 0 301.415 3.522 50 0 DHAARN CN(Cc1nnc(C2CC2)o1)c1ccc(Oc2ccccn2)cc1 ZINC000072636964 191205773 /nfs/dbraw/zinc/20/57/73/191205773.db2.gz IANUAOIOIACWDO-UHFFFAOYSA-N 0 0 322.368 3.771 50 0 DHAARN COC(=O)c1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1 ZINC000000269585 180743637 /nfs/dbraw/zinc/74/36/37/180743637.db2.gz FYYOWOUOOSHKSB-UHFFFAOYSA-N 0 0 310.378 3.988 50 0 DHAARN CCc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1 ZINC000000292922 180749478 /nfs/dbraw/zinc/74/94/78/180749478.db2.gz MUDMBOWFTJQCPL-UHFFFAOYSA-N 0 0 305.381 3.511 50 0 biogenic DHAARN c1cn(-c2cccc(OCc3nnc(-c4ccccc4)o3)c2)cn1 ZINC000072674285 191210890 /nfs/dbraw/zinc/21/08/90/191210890.db2.gz VOIVYBSQTXFZIG-UHFFFAOYSA-N 0 0 318.336 3.501 50 0 DHAARN CCCc1cc(=O)oc2cc(O[C@H](C)C(C)=O)c(Cl)cc12 ZINC000000315380 180757435 /nfs/dbraw/zinc/75/74/35/180757435.db2.gz JGQUCUXRVIQYLC-SNVBAGLBSA-N 0 0 308.761 3.755 50 0 DHAARN Cc1ccnc(NC(=O)COc2c(C)cc(C)cc2Cl)c1 ZINC000000373674 180770058 /nfs/dbraw/zinc/77/00/58/180770058.db2.gz XLIZITWMTSKRKY-UHFFFAOYSA-N 0 0 304.777 3.678 50 0 DHAARN Cc1cc(C)n(C(=O)c2c(C)onc2-c2ccccc2Cl)n1 ZINC000000375880 180770557 /nfs/dbraw/zinc/77/05/57/180770557.db2.gz HKDYPTVUNBWZJS-UHFFFAOYSA-N 0 0 315.760 3.805 50 0 DHAARN Cc1nnc2n1-c1cc(F)ccc1[C@@H](c1ccc(F)cc1)CC2 ZINC000000347712 180763256 /nfs/dbraw/zinc/76/32/56/180763256.db2.gz RPSFTORJNMCMSR-OAHLLOKOSA-N 0 0 311.335 3.932 50 0 DHAARN COc1cc(OC)c(NC(=O)c2ccc(C)cc2)cc1Cl ZINC000000363213 180766954 /nfs/dbraw/zinc/76/69/54/180766954.db2.gz PXDJEMPQKZTIPC-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN Cc1c(C)c(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 ZINC000000407870 180778810 /nfs/dbraw/zinc/77/88/10/180778810.db2.gz PNPQCIMJHQSKSZ-UHFFFAOYSA-N 0 0 308.333 3.672 50 0 DHAARN O=C(Nc1ccc(F)cc1)N[C@H]1NC(c2ccccc2)=CS1 ZINC000000399259 180777463 /nfs/dbraw/zinc/77/74/63/180777463.db2.gz ZRDGMUUXDKGALQ-MRXNPFEDSA-N 0 0 315.373 3.566 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000000429511 180788062 /nfs/dbraw/zinc/78/80/62/180788062.db2.gz XNXUMWKCXGLMBD-UHFFFAOYSA-N 0 0 320.776 3.748 50 0 DHAARN COc1cc(SC)ccc1C(=O)Nc1ccc(F)c(F)c1 ZINC000000442350 180791880 /nfs/dbraw/zinc/79/18/80/180791880.db2.gz MDTVVMZMESTHAP-UHFFFAOYSA-N 0 0 309.337 3.948 50 0 DHAARN O=C1CS[C@@H](c2ccccc2F)N1c1ccc(F)cc1F ZINC000000423920 180785234 /nfs/dbraw/zinc/78/52/34/180785234.db2.gz IJCCHECBSCBOBK-HNNXBMFYSA-N 0 0 309.312 3.883 50 0 DHAARN Cc1cc(C)cc(NC(=S)NC(=O)C=Cc2ccccc2)c1 ZINC000000457046 180796988 /nfs/dbraw/zinc/79/69/88/180796988.db2.gz POKHMTWODKHQFQ-CMDGGOBGSA-N 0 0 310.422 3.830 50 0 DHAARN Cc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)s1 ZINC000000468201 180800225 /nfs/dbraw/zinc/80/02/25/180800225.db2.gz ZOQOZKYBIZFJGD-UHFFFAOYSA-N 0 0 313.835 3.539 50 0 DHAARN Cc1cc(C)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 ZINC000000455795 180796399 /nfs/dbraw/zinc/79/63/99/180796399.db2.gz WUTZSEOOFRMNAU-FNORWQNLSA-N 0 0 309.365 3.992 50 0 DHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1C ZINC000000473359 180802003 /nfs/dbraw/zinc/80/20/03/180802003.db2.gz QAYIDJSHBSDJRM-VXGBXAGGSA-N 0 0 309.475 3.587 50 0 DHAARN Cc1occc1C(=O)Nc1ccc(NC(=O)c2ccoc2C)cc1 ZINC000000475979 180803067 /nfs/dbraw/zinc/80/30/67/180803067.db2.gz LECKPVLXMBZNHK-UHFFFAOYSA-N 0 0 324.336 3.994 50 0 DHAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1nnc2ccccc21 ZINC000000484272 180805362 /nfs/dbraw/zinc/80/53/62/180805362.db2.gz WNXVKDAPKVUFEL-LLVKDONJSA-N 0 0 315.760 3.501 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)CC1=O ZINC000000501604 180808991 /nfs/dbraw/zinc/80/89/91/180808991.db2.gz DZGGDIZVBUXUFO-RKDXNWHRSA-N 0 0 315.200 3.825 50 0 DHAARN CSc1nc2sc3c(c2c(Cl)n1)CC(C)(C)OC3 ZINC000000495469 180807579 /nfs/dbraw/zinc/80/75/79/180807579.db2.gz WPZPUSKFFOLASN-UHFFFAOYSA-N 0 0 300.836 3.918 50 0 DHAARN CN(C)c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000000520765 180811896 /nfs/dbraw/zinc/81/18/96/180811896.db2.gz HMEDISWIHLXMAB-UHFFFAOYSA-N 0 0 321.409 3.586 50 0 DHAARN CCn1c(SCc2cccc(F)c2)nnc1-c1ccncc1 ZINC000000523796 180812315 /nfs/dbraw/zinc/81/23/15/180812315.db2.gz JFJRAEDSEOVVGQ-UHFFFAOYSA-N 0 0 314.389 3.791 50 0 DHAARN C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 ZINC000000573737 180825158 /nfs/dbraw/zinc/82/51/58/180825158.db2.gz HPAMUBGENFZWTL-AWEZNQCLSA-N 0 0 324.424 3.635 50 0 DHAARN COc1ccc(NC(=O)NCCC2=CCCCC2)cc1OC ZINC000000610022 180827975 /nfs/dbraw/zinc/82/79/75/180827975.db2.gz HNQIVSCELIFGOJ-UHFFFAOYSA-N 0 0 304.390 3.716 50 0 DHAARN Cc1c(C(=O)Nc2cccc(C)n2)oc2c1C(=O)CC(C)(C)C2 ZINC000000612416 180828564 /nfs/dbraw/zinc/82/85/64/180828564.db2.gz VDQCVKOUDOCQIB-UHFFFAOYSA-N 0 0 312.369 3.699 50 0 DHAARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1 ZINC000000612686 180828893 /nfs/dbraw/zinc/82/88/93/180828893.db2.gz RVFBQYBISBVBCS-HNNXBMFYSA-N 0 0 314.410 3.844 50 0 DHAARN CCN(C(=S)NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000559092 180821318 /nfs/dbraw/zinc/82/13/18/180821318.db2.gz OBUXEUKTUPXFHK-UHFFFAOYSA-N 0 0 318.829 3.881 50 0 DHAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 ZINC000000560649 180822005 /nfs/dbraw/zinc/82/20/05/180822005.db2.gz OSQWYHHAALWYLV-UHFFFAOYSA-N 0 0 303.362 3.989 50 0 DHAARN C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccccc1 ZINC000000807593 180833954 /nfs/dbraw/zinc/83/39/54/180833954.db2.gz ZPUKJYHVXHPTQB-AWEZNQCLSA-N 0 0 321.376 3.915 50 0 DHAARN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCCC1 ZINC000000815131 180834682 /nfs/dbraw/zinc/83/46/82/180834682.db2.gz QEAPFMFBESGNOY-UHFFFAOYSA-N 0 0 311.168 3.884 50 0 DHAARN O=C(Nc1cccnc1)c1cccc2c1C(=O)c1ccccc1-2 ZINC000000826956 180835477 /nfs/dbraw/zinc/83/54/77/180835477.db2.gz MNGPTZVSFXZRFN-UHFFFAOYSA-N 0 0 300.317 3.545 50 0 DHAARN COc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3)c2c1 ZINC000001061248 180844484 /nfs/dbraw/zinc/84/44/84/180844484.db2.gz FWSHPXOIDGABMX-UHFFFAOYSA-N 0 0 309.369 3.541 50 0 biogenic DHAARN COc1ccccc1C(=O)Oc1ccc(Br)cc1 ZINC000001016977 180840997 /nfs/dbraw/zinc/84/09/97/180840997.db2.gz IATAUOUCFRRKTB-UHFFFAOYSA-N 0 0 307.143 3.677 50 0 DHAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc2ccccc2oc1=O ZINC000001053520 180843474 /nfs/dbraw/zinc/84/34/74/180843474.db2.gz WQCVVKOVKPMWGL-QGZVFWFLSA-N 0 0 319.360 3.600 50 0 DHAARN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1OC ZINC000001077518 180846041 /nfs/dbraw/zinc/84/60/41/180846041.db2.gz XRRHYKHLLUGNCV-UHFFFAOYSA-N 0 0 319.788 3.677 50 0 DHAARN Cn1c(=O)c2sccc2nc1SCc1ccc(Cl)cc1 ZINC000001402059 180862000 /nfs/dbraw/zinc/86/20/00/180862000.db2.gz JRGDZRQQJZKLQK-UHFFFAOYSA-N 0 0 322.842 3.941 50 0 DHAARN O=S1(=O)C=C(SCc2ccc(F)cc2)Nc2ccccc21 ZINC000001406167 180863290 /nfs/dbraw/zinc/86/32/90/180863290.db2.gz QATYVOAGCPUUJV-UHFFFAOYSA-N 0 0 321.398 3.757 50 0 DHAARN COc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC000001387474 180858469 /nfs/dbraw/zinc/85/84/69/180858469.db2.gz ZPDCJGHYKWGVHZ-JXMROGBWSA-N 0 0 320.392 3.887 50 0 DHAARN Cc1cccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)c1 ZINC000001386019 180858491 /nfs/dbraw/zinc/85/84/91/180858491.db2.gz UFHUANHJYWXTFY-UHFFFAOYSA-N 0 0 305.168 3.945 50 0 DHAARN FC(F)(F)Oc1ccc(-n2cc(Br)cn2)cc1 ZINC000001430689 180865909 /nfs/dbraw/zinc/86/59/09/180865909.db2.gz APKJRGMRUBXUAS-UHFFFAOYSA-N 0 0 307.069 3.533 50 0 DHAARN COc1ccc(OCCCC(=O)Nc2ccccc2F)cc1 ZINC000001778226 180895999 /nfs/dbraw/zinc/89/59/99/180895999.db2.gz SDMNAUMRGPQBHE-UHFFFAOYSA-N 0 0 303.333 3.632 50 0 DHAARN Cc1ccccc1Cc1nnc2sc(Cc3ccccc3)nn12 ZINC000002183305 180914601 /nfs/dbraw/zinc/91/46/01/180914601.db2.gz NVVLVVHXNDDPOV-UHFFFAOYSA-N 0 0 320.421 3.676 50 0 DHAARN O=C(Nc1cccnc1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000002186974 180914622 /nfs/dbraw/zinc/91/46/22/180914622.db2.gz PTIZETSPHFSZGB-CHWSQXEVSA-N 0 0 307.180 3.608 50 0 DHAARN CCCCC(=O)NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000002296337 180918698 /nfs/dbraw/zinc/91/86/98/180918698.db2.gz XCACERSYQJIZPA-UHFFFAOYSA-N 0 0 310.397 3.792 50 0 DHAARN CC(C)[C@H]1NC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000002336457 180919693 /nfs/dbraw/zinc/91/96/93/180919693.db2.gz ZAZCZCVYJDJRER-MRXNPFEDSA-N 0 0 310.353 3.764 50 0 DHAARN C[C@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@H]1c1ccccc1 ZINC000174228653 198308328 /nfs/dbraw/zinc/30/83/28/198308328.db2.gz SWDYLLPMKBKWQF-XJKSGUPXSA-N 0 0 310.397 3.818 50 0 DHAARN Cc1cccc(N2C(=O)S[C@@H](Nc3cccc(F)c3)C2=O)c1 ZINC000002412501 180923347 /nfs/dbraw/zinc/92/33/47/180923347.db2.gz MRAZXIIOWAYHNV-CQSZACIVSA-N 0 0 316.357 3.772 50 0 DHAARN CCOC(=O)c1cccc(C(=O)CCc2ccc(OC)cc2)c1 ZINC000002516551 180930521 /nfs/dbraw/zinc/93/05/21/180930521.db2.gz PWLCWLCFPAFYDD-UHFFFAOYSA-N 0 0 312.365 3.687 50 0 DHAARN COc1ccc(NC(=O)c2cc(C)nc3ccccc32)c(OC)c1 ZINC000002647203 180943525 /nfs/dbraw/zinc/94/35/25/180943525.db2.gz OSNBTDHDJXBTEB-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN COc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000002644752 180943630 /nfs/dbraw/zinc/94/36/30/180943630.db2.gz QVJNNYNIDSVNCA-NSHDSACASA-N 0 0 305.761 3.755 50 0 DHAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000002632271 180941617 /nfs/dbraw/zinc/94/16/17/180941617.db2.gz DEQSLPVLUAONHE-OLZOCXBDSA-N 0 0 303.789 3.985 50 0 DHAARN Cc1[nH]c2ccccc2c1SCC(=O)N1CCCCCC1 ZINC000002718315 180948976 /nfs/dbraw/zinc/94/89/76/180948976.db2.gz CAZQVDMSEGKJPK-UHFFFAOYSA-N 0 0 302.443 3.971 50 0 DHAARN Cc1cccc(Nc2nnc(-c3nn(C)cc3Cl)s2)c1 ZINC000002755225 180952590 /nfs/dbraw/zinc/95/25/90/180952590.db2.gz IPLUCADJZQKDPO-UHFFFAOYSA-N 0 0 305.794 3.644 50 0 DHAARN CC[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000002761448 180952838 /nfs/dbraw/zinc/95/28/38/180952838.db2.gz HLFMMEPBDIVEFO-INIZCTEOSA-N 0 0 313.397 3.514 50 0 DHAARN CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000002767765 180954454 /nfs/dbraw/zinc/95/44/54/180954454.db2.gz DWRBUYVGGYCCRH-MRXNPFEDSA-N 0 0 307.390 3.564 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000002794453 180958812 /nfs/dbraw/zinc/95/88/12/180958812.db2.gz JNRKOWOIKFAGBL-CYBMUJFWSA-N 0 0 322.364 3.841 50 0 DHAARN O=C1c2ccccc2C(=O)N1c1nc(-c2cccs2)cs1 ZINC000002867427 180965233 /nfs/dbraw/zinc/96/52/33/180965233.db2.gz BXUWNKLFWGQUJH-UHFFFAOYSA-N 0 0 312.375 3.672 50 0 DHAARN O=C(Nc1ccccn1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000003058359 180979359 /nfs/dbraw/zinc/97/93/59/180979359.db2.gz OTHLFWDRXAXAGB-OLZOCXBDSA-N 0 0 307.180 3.608 50 0 DHAARN CC(C)CO[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl ZINC000003012373 180976457 /nfs/dbraw/zinc/97/64/57/180976457.db2.gz XMWUWTGDBJXTPY-JTQLQIEISA-N 0 0 304.645 3.518 50 0 DHAARN CCn1cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cn1 ZINC000073144747 191283484 /nfs/dbraw/zinc/28/34/84/191283484.db2.gz PQOVAPQZIOXUIS-UHFFFAOYSA-N 0 0 323.400 3.610 50 0 DHAARN C[C@@H](Cc1cccs1)NC(=O)COc1ccc(Cl)cc1 ZINC000003211556 180992242 /nfs/dbraw/zinc/99/22/42/180992242.db2.gz SDEDOVOABWMCIK-NSHDSACASA-N 0 0 309.818 3.528 50 0 DHAARN Nc1nnc(SCc2cc(Cl)ccc2OC(F)F)s1 ZINC000003233824 180993847 /nfs/dbraw/zinc/99/38/47/180993847.db2.gz WBOITOPYRYDKCS-UHFFFAOYSA-N 0 0 323.777 3.667 50 0 DHAARN O=C(CCc1nc2ccccc2s1)N1CCc2ccccc21 ZINC000003270257 180999064 /nfs/dbraw/zinc/99/90/64/180999064.db2.gz KRQARAKUFAZTFY-UHFFFAOYSA-N 0 0 308.406 3.818 50 0 DHAARN CC(C)(C)C(=O)COC(=O)COc1ccc(Cl)cc1Cl ZINC000003245483 180995613 /nfs/dbraw/zinc/99/56/13/180995613.db2.gz ACCXAMDPMSKASQ-UHFFFAOYSA-N 0 0 319.184 3.531 50 0 DHAARN O=C(COc1cccc2cccnc21)Nc1cccc(Cl)c1 ZINC000003257277 180997526 /nfs/dbraw/zinc/99/75/26/180997526.db2.gz HJRUESVNRSJAQZ-UHFFFAOYSA-N 0 0 312.756 3.906 50 0 DHAARN Oc1cccc(NC(=S)Nc2ccc(OC(F)F)cc2)c1 ZINC000003324426 181005548 /nfs/dbraw/zinc/00/55/48/181005548.db2.gz METFLWUJCUUKCN-UHFFFAOYSA-N 0 0 310.325 3.803 50 0 DHAARN O=C(COc1ccccc1F)OCc1c(F)cccc1Cl ZINC000003285987 181000359 /nfs/dbraw/zinc/00/03/59/181000359.db2.gz AWSPRMDEHYSSMZ-UHFFFAOYSA-N 0 0 312.699 3.740 50 0 DHAARN COC(=O)c1cccc(Nc2ncnc3c4ccccc4oc32)c1 ZINC000003284438 181000389 /nfs/dbraw/zinc/00/03/89/181000389.db2.gz VRNHNPPLOPARKE-UHFFFAOYSA-N 0 0 319.320 3.906 50 0 DHAARN CC[C@H]1CCCCN1C(=O)CSc1ncnc2ccccc21 ZINC000003288396 181000900 /nfs/dbraw/zinc/00/09/00/181000900.db2.gz DUIFENAIIDYVTL-ZDUSSCGKSA-N 0 0 315.442 3.513 50 0 DHAARN Nc1nn2cc(-c3ccc(Cl)s3)nc2c2ccccc12 ZINC000003299694 181002197 /nfs/dbraw/zinc/00/21/97/181002197.db2.gz ZJKMPHYUVJSMLJ-UHFFFAOYSA-N 0 0 300.774 3.847 50 0 DHAARN COc1cccc(NC(=S)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000003388566 181014581 /nfs/dbraw/zinc/01/45/81/181014581.db2.gz MVXXXWSECZUNBK-JTQLQIEISA-N 0 0 318.364 3.666 50 0 DHAARN COc1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000003383412 181013505 /nfs/dbraw/zinc/01/35/05/181013505.db2.gz CQRQALWLLHRYNT-UHFFFAOYSA-N 0 0 309.724 3.505 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000003384844 181014016 /nfs/dbraw/zinc/01/40/16/181014016.db2.gz LLUXCGVBIYKECY-UHFFFAOYSA-N 0 0 309.774 3.505 50 0 DHAARN COc1cc(NC(=O)c2ccc3ncsc3c2)cc(OC)c1 ZINC000003333174 181006703 /nfs/dbraw/zinc/00/67/03/181006703.db2.gz BPGKYIIFBPDXDN-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN COc1ccc2c(COc3cccc(F)c3)cc(=O)oc2c1 ZINC000003353417 181010547 /nfs/dbraw/zinc/01/05/47/181010547.db2.gz UMQNAGLAWRNYGE-UHFFFAOYSA-N 0 0 300.285 3.520 50 0 DHAARN COc1ccc(C(C)=O)cc1COc1c(C)cc(C=O)cc1C ZINC000003352491 181010589 /nfs/dbraw/zinc/01/05/89/181010589.db2.gz FNZYSCGGGKVCEE-UHFFFAOYSA-N 0 0 312.365 3.906 50 0 DHAARN CCc1ccc(NC(=O)COC(=O)c2cc(C)ccc2C)cc1 ZINC000003401397 181015153 /nfs/dbraw/zinc/01/51/53/181015153.db2.gz YVIWSIFUQJGWGA-UHFFFAOYSA-N 0 0 311.381 3.661 50 0 DHAARN C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccccc1Cl ZINC000003406358 181015768 /nfs/dbraw/zinc/01/57/68/181015768.db2.gz WIJATPUDWQGCMX-SNVBAGLBSA-N 0 0 313.781 3.519 50 0 DHAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nncs2)cc1 ZINC000003413423 181016608 /nfs/dbraw/zinc/01/66/08/181016608.db2.gz XUXUYKPIKQZXKD-SNVBAGLBSA-N 0 0 307.444 3.782 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)cs2)cc1 ZINC000003413568 181017001 /nfs/dbraw/zinc/01/70/01/181017001.db2.gz ZCDXXCUXKIXPJS-NSHDSACASA-N 0 0 320.439 3.773 50 0 DHAARN Clc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000003418537 181017406 /nfs/dbraw/zinc/01/74/06/181017406.db2.gz SGEHVLXNVNBLRX-UHFFFAOYSA-N 0 0 320.183 3.581 50 0 DHAARN O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1cccs1 ZINC000003419288 181017423 /nfs/dbraw/zinc/01/74/23/181017423.db2.gz DFLQOQBVKHBNJD-VMPITWQZSA-N 0 0 309.337 3.679 50 0 DHAARN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)s1 ZINC000003429240 181018382 /nfs/dbraw/zinc/01/83/82/181018382.db2.gz QNRAWOVEMWYOOP-SNVBAGLBSA-N 0 0 323.801 3.894 50 0 DHAARN C[C@@H]1CCc2sc(C(=O)NCc3ccc(F)cc3)cc2C1 ZINC000003429714 181018434 /nfs/dbraw/zinc/01/84/34/181018434.db2.gz ICAJRBVZZPDEHB-LLVKDONJSA-N 0 0 303.402 3.942 50 0 DHAARN CCCCOC(=O)c1ccc(NC(=O)c2c(C)noc2C)cc1 ZINC000003427369 181018471 /nfs/dbraw/zinc/01/84/71/181018471.db2.gz NHYWOISAFHXCJU-UHFFFAOYSA-N 0 0 316.357 3.501 50 0 DHAARN O=C(COc1ccc(Br)cc1Cl)c1ccc[nH]1 ZINC000003430871 181018828 /nfs/dbraw/zinc/01/88/28/181018828.db2.gz YMICSLQPLLIGPD-UHFFFAOYSA-N 0 0 314.566 3.692 50 0 DHAARN CC(=O)c1ccc(OCCCC(=O)NC2CCC(C)CC2)cc1 ZINC000003431576 181018878 /nfs/dbraw/zinc/01/88/78/181018878.db2.gz HCGQYYCGCZEMFF-UHFFFAOYSA-N 0 0 317.429 3.743 50 0 DHAARN CC1CCC(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000003438833 181019592 /nfs/dbraw/zinc/01/95/92/181019592.db2.gz YZOJSJPBMAAXIP-PVARCSIZSA-N 0 0 317.429 3.553 50 0 DHAARN CCOC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 ZINC000003440899 181020271 /nfs/dbraw/zinc/02/02/71/181020271.db2.gz UCEVNSFOQCGUMN-UHFFFAOYSA-N 0 0 323.443 3.554 50 0 DHAARN CSc1ncccc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000003448421 181021402 /nfs/dbraw/zinc/02/14/02/181021402.db2.gz KIPHVPZAMSRTGZ-CYBMUJFWSA-N 0 0 300.427 3.555 50 0 DHAARN C[C@H](NC(=O)c1ccccc1NC(=O)C1CCC1)c1ccccc1 ZINC000003533414 181030250 /nfs/dbraw/zinc/03/02/50/181030250.db2.gz LMEONVPYROQNEV-AWEZNQCLSA-N 0 0 322.408 3.916 50 0 DHAARN C[C@H](Sc1ccccc1F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003473456 181024712 /nfs/dbraw/zinc/02/47/12/181024712.db2.gz JBBJEDMSEJANOY-JTQLQIEISA-N 0 0 319.357 3.674 50 0 DHAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2C)C(C)C)cc1 ZINC000003481444 181025042 /nfs/dbraw/zinc/02/50/42/181025042.db2.gz KDDGDRHSUWMZET-SFHVURJKSA-N 0 0 324.424 3.697 50 0 DHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc2ccccc2o1 ZINC000003486532 181025977 /nfs/dbraw/zinc/02/59/77/181025977.db2.gz KXVSXXFZDMBQAO-UHFFFAOYSA-N 0 0 324.336 3.652 50 0 DHAARN CCOCc1ccccc1NC(=O)N1CCC[C@@H](COCC)C1 ZINC000073185161 191288785 /nfs/dbraw/zinc/28/87/85/191288785.db2.gz HIISDKWCBQEGSB-OAHLLOKOSA-N 0 0 320.433 3.504 50 0 DHAARN Cc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000003515423 181029430 /nfs/dbraw/zinc/02/94/30/181029430.db2.gz YUXONKPZDNIHGU-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN COc1cccc(CC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000003549950 181033629 /nfs/dbraw/zinc/03/36/29/181033629.db2.gz QWKGPBDASHIVGB-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN O=C(O[C@H]1CCCC1=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003559621 181034685 /nfs/dbraw/zinc/03/46/85/181034685.db2.gz QTISBPWOVWJJHX-SFHVURJKSA-N 0 0 321.332 3.773 50 0 DHAARN Cc1ccc([C@@H]2CCN(C(=S)NCc3ccccc3)C2)cc1 ZINC000003588575 181037740 /nfs/dbraw/zinc/03/77/40/181037740.db2.gz ZYCHDIQDEACNRE-GOSISDBHSA-N 0 0 310.466 3.859 50 0 DHAARN O=C(COc1cccc(Cl)c1)N[C@H]1CCCc2ccccc21 ZINC000003603935 181038775 /nfs/dbraw/zinc/03/87/75/181038775.db2.gz LQFGYIWPBLVKNN-KRWDZBQOSA-N 0 0 315.800 3.913 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc21 ZINC000003538049 181031375 /nfs/dbraw/zinc/03/13/75/181031375.db2.gz NGCCBJBKSXMUDQ-UHFFFAOYSA-N 0 0 300.789 3.650 50 0 DHAARN COc1cc(SC)ccc1C(=O)NCCc1ccc(F)cc1 ZINC000003613485 181040933 /nfs/dbraw/zinc/04/09/33/181040933.db2.gz HXVZHEOUFRZICB-UHFFFAOYSA-N 0 0 319.401 3.529 50 0 biogenic DHAARN C[C@H](CCc1cn(C)c2ccccc12)NC(=O)c1cccs1 ZINC000003765554 181045141 /nfs/dbraw/zinc/04/51/41/181045141.db2.gz YEJPEPLNRSQTNI-CYBMUJFWSA-N 0 0 312.438 3.991 50 0 DHAARN C[C@@H](CCc1cn(C)c2ccccc12)NC(=O)c1cccs1 ZINC000003765553 181045301 /nfs/dbraw/zinc/04/53/01/181045301.db2.gz YEJPEPLNRSQTNI-ZDUSSCGKSA-N 0 0 312.438 3.991 50 0 DHAARN CN1c2ccccc2[C@](O)(C(F)(F)F)[C@@H]1CCc1ccccc1 ZINC000003884030 181052516 /nfs/dbraw/zinc/05/25/16/181052516.db2.gz ISPQSQMCJJXWFH-DLBZAZTESA-N 0 0 321.342 3.888 50 0 DHAARN O=C(N1C[C@H](c2ccccc2)CC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000003905402 181054892 /nfs/dbraw/zinc/05/48/92/181054892.db2.gz SXFKKRXUZHLCHI-DIKOGFFKSA-N 0 0 323.436 3.746 50 0 DHAARN O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1 ZINC000003903031 181054908 /nfs/dbraw/zinc/05/49/08/181054908.db2.gz VRYOATOHSLRGGQ-UHFFFAOYSA-N 0 0 300.697 3.666 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)on1 ZINC000003907611 181055721 /nfs/dbraw/zinc/05/57/21/181055721.db2.gz NSWIBNCIXIXABM-UHFFFAOYSA-N 0 0 314.291 3.550 50 0 DHAARN COc1ccc(-c2nc3ccccn3c2NC(=O)CC(C)C)cc1 ZINC000003906452 181055815 /nfs/dbraw/zinc/05/58/15/181055815.db2.gz HGYAYRNPVAJOLD-UHFFFAOYSA-N 0 0 323.396 3.995 50 0 DHAARN O=C(Nc1cccc(O)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000003907696 181056692 /nfs/dbraw/zinc/05/66/92/181056692.db2.gz GFTQVQURKVIQCS-UHFFFAOYSA-N 0 0 314.728 3.953 50 0 DHAARN Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)no1 ZINC000003908277 181056745 /nfs/dbraw/zinc/05/67/45/181056745.db2.gz VRCVXGFLMTWPJV-UHFFFAOYSA-N 0 0 303.705 3.544 50 0 DHAARN C[C@H](NC(=O)/C=C/c1ccccc1)[C@H]1OCCc2ccccc21 ZINC000004026324 181063845 /nfs/dbraw/zinc/06/38/45/181063845.db2.gz KBEHEPIHIKNOCU-CNWUCQQOSA-N 0 0 307.393 3.519 50 0 biogenic DHAARN CCC(CC)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004032996 181065358 /nfs/dbraw/zinc/06/53/58/181065358.db2.gz UGZHDARTMMHWFY-UHFFFAOYSA-N 0 0 308.385 3.771 50 0 DHAARN S=C(NCc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000004038156 181066045 /nfs/dbraw/zinc/06/60/45/181066045.db2.gz ZUMZUPIPEDPCJM-UHFFFAOYSA-N 0 0 321.449 3.601 50 0 biogenic DHAARN COc1cc(C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000004010885 181061862 /nfs/dbraw/zinc/06/18/62/181061862.db2.gz VODMLTLHJYJIBF-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN CCCCN(CCCC)C(=O)[C@@H]1CC(=O)OC12CCCCC2 ZINC000004110885 181074722 /nfs/dbraw/zinc/07/47/22/181074722.db2.gz HCUJGJDBBBLUPM-HNNXBMFYSA-N 0 0 309.450 3.681 50 0 DHAARN CC(C)(C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000004086570 181071361 /nfs/dbraw/zinc/07/13/61/181071361.db2.gz GLZGNPWFSOBPBS-UHFFFAOYSA-N 0 0 307.444 3.815 50 0 DHAARN CN1CCc2c3ccccc3[nH]c2[C@H]1C1c2ccccc2NC1=O ZINC000004090551 181072155 /nfs/dbraw/zinc/07/21/55/181072155.db2.gz KUMFBRNUUDDMCI-LJQANCHMSA-N 0 0 317.392 3.932 50 0 biogenic DHAARN O=C(Nc1nnc(-c2ccco2)o1)c1cccc(C(F)(F)F)c1 ZINC000004107273 181074099 /nfs/dbraw/zinc/07/40/99/181074099.db2.gz RCJPKPINFAMDMP-UHFFFAOYSA-N 0 0 323.230 3.601 50 0 DHAARN CCc1nc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)n2n1 ZINC000004057102 181067359 /nfs/dbraw/zinc/06/73/59/181067359.db2.gz ZJMLNGPBBWICAD-UHFFFAOYSA-N 0 0 321.306 3.758 50 0 DHAARN Cc1ccc(Cn2cc(SCC(N)=O)c3ccccc32)cc1 ZINC000004060991 181067991 /nfs/dbraw/zinc/06/79/91/181067991.db2.gz DFCMYVGSLLRZRV-UHFFFAOYSA-N 0 0 310.422 3.575 50 0 DHAARN O=c1oc2ccccc2cc1-c1nnc(-c2cccc(F)c2)o1 ZINC000004070108 181068656 /nfs/dbraw/zinc/06/86/56/181068656.db2.gz XXHGFMGNDOUMEU-UHFFFAOYSA-N 0 0 308.268 3.649 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(Br)cc1F ZINC000004070172 181068797 /nfs/dbraw/zinc/06/87/97/181068797.db2.gz AJIRODPLGDYPTG-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN CC(C)[C@@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 ZINC000004063238 181068907 /nfs/dbraw/zinc/06/89/07/181068907.db2.gz QDRDTGUYNYCXRZ-GDBMZVCRSA-N 0 0 307.434 3.763 50 0 biogenic DHAARN CC(C)C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004072068 181069948 /nfs/dbraw/zinc/06/99/48/181069948.db2.gz STYUWKDCQHOCTF-UHFFFAOYSA-N 0 0 305.447 3.600 50 0 DHAARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccco2)c1 ZINC000004120339 181076133 /nfs/dbraw/zinc/07/61/33/181076133.db2.gz FERATUCFRPFSLQ-UHFFFAOYSA-N 0 0 314.410 3.642 50 0 DHAARN O=C(c1ccco1)N1CCN=C1SCc1ccccc1Cl ZINC000004120287 181076144 /nfs/dbraw/zinc/07/61/44/181076144.db2.gz VKADVNQPILSEDF-UHFFFAOYSA-N 0 0 320.801 3.678 50 0 DHAARN CCc1c(C(=O)Nc2cc(C)ccc2OC)[nH]c(C)c1C(C)=O ZINC000004118729 181076155 /nfs/dbraw/zinc/07/61/55/181076155.db2.gz UJTMENQUUKHGGD-UHFFFAOYSA-N 0 0 314.385 3.657 50 0 DHAARN CCCCCC(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000004178875 181082532 /nfs/dbraw/zinc/08/25/32/181082532.db2.gz MXFJKHULLJMLTE-UHFFFAOYSA-N 0 0 307.394 3.787 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)c1ccccc1 ZINC000004163563 181080042 /nfs/dbraw/zinc/08/00/42/181080042.db2.gz WKCIPQCJDFHBLP-LBPRGKRZSA-N 0 0 306.365 3.536 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000004163690 181080087 /nfs/dbraw/zinc/08/00/87/181080087.db2.gz VJFQGCJSLXLKEA-UHFFFAOYSA-N 0 0 306.365 3.915 50 0 DHAARN C[C@@H]1C[C@H](NC(=O)C(=O)c2c[nH]c3ccccc23)CC(C)(C)C1 ZINC000004163119 181080371 /nfs/dbraw/zinc/08/03/71/181080371.db2.gz WZWPIRFFPJNBMH-OLZOCXBDSA-N 0 0 312.413 3.682 50 0 DHAARN Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1Cl ZINC000004163255 181080412 /nfs/dbraw/zinc/08/04/12/181080412.db2.gz RNGJEDQVISMZCX-UHFFFAOYSA-N 0 0 312.756 3.951 50 0 DHAARN O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000004166962 181081029 /nfs/dbraw/zinc/08/10/29/181081029.db2.gz ZCTSQCRTBXPIIU-UHFFFAOYSA-N 0 0 308.406 3.783 50 0 DHAARN O=C(NCCc1csc(-c2ccccc2)n1)C1CCCC1 ZINC000004166958 181081310 /nfs/dbraw/zinc/08/13/10/181081310.db2.gz UBGGAYPDIOUPGK-UHFFFAOYSA-N 0 0 300.427 3.659 50 0 DHAARN COc1ccc(OC)c(Nc2nc(-c3ccncc3)cs2)c1 ZINC000004178459 181082733 /nfs/dbraw/zinc/08/27/33/181082733.db2.gz CKONHYFJXJSSGP-UHFFFAOYSA-N 0 0 313.382 3.966 50 0 DHAARN CC(C)(C)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000004221011 181085431 /nfs/dbraw/zinc/08/54/31/181085431.db2.gz IDDATISHXDSIBW-UHFFFAOYSA-N 0 0 312.365 3.831 50 0 DHAARN Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1 ZINC000004225238 181086426 /nfs/dbraw/zinc/08/64/26/181086426.db2.gz RGLYMPLFGXBJTC-CQSZACIVSA-N 0 0 305.381 3.700 50 0 DHAARN COc1ccc(CN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000004275502 181090808 /nfs/dbraw/zinc/09/08/08/181090808.db2.gz IQOALYXGGXPZQO-UHFFFAOYSA-N 0 0 317.344 3.645 50 0 DHAARN CC(=O)N(Cc1cccnc1)c1nc2c(cc(C)cc2C)s1 ZINC000004273288 181090991 /nfs/dbraw/zinc/09/09/91/181090991.db2.gz GWRAMOMBTLWFJW-UHFFFAOYSA-N 0 0 311.410 3.861 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)Oc2cccc3cccnc32)c1 ZINC000004278956 181091226 /nfs/dbraw/zinc/09/12/26/181091226.db2.gz HWMCCYBPSZGYRL-UHFFFAOYSA-N 0 0 313.378 3.619 50 0 DHAARN CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000004283605 181092864 /nfs/dbraw/zinc/09/28/64/181092864.db2.gz HBAONALTHRGNPK-XHDPSFHLSA-N 0 0 323.820 3.616 50 0 DHAARN O=C(c1cccc(F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004314928 181096682 /nfs/dbraw/zinc/09/66/82/181096682.db2.gz DFRMSLYJSQWZTI-UHFFFAOYSA-N 0 0 323.371 3.722 50 0 DHAARN O=c1nc2c(c(SCc3cccc(Cl)c3)[nH]1)CCCC2 ZINC000004317113 181097013 /nfs/dbraw/zinc/09/70/13/181097013.db2.gz QFUCTLOXOIVHLL-UHFFFAOYSA-N 0 0 306.818 3.594 50 0 DHAARN COc1ccccc1C(=O)Nc1nc2c(cccc2F)s1 ZINC000004331591 181099071 /nfs/dbraw/zinc/09/90/71/181099071.db2.gz MZJQDZAALKXDGC-UHFFFAOYSA-N 0 0 302.330 3.696 50 0 DHAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccccc1F ZINC000004331588 181099586 /nfs/dbraw/zinc/09/95/86/181099586.db2.gz BSTMSISRQUKEPI-UHFFFAOYSA-N 0 0 308.284 3.966 50 0 DHAARN CC(C)(C)c1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000004342338 181100238 /nfs/dbraw/zinc/10/02/38/181100238.db2.gz IJLPBGMOAHRDBU-UHFFFAOYSA-N 0 0 314.454 3.848 50 0 DHAARN CC[C@]1(C)OC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@]21C ZINC000004343227 181100526 /nfs/dbraw/zinc/10/05/26/181100526.db2.gz BVFFIQUSWRYADH-ROUUACIJSA-N 0 0 314.385 3.569 50 0 DHAARN O=C(C1=NNC[C@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC000004343152 181100605 /nfs/dbraw/zinc/10/06/05/181100605.db2.gz LVHWHBDDDFILQZ-SFHVURJKSA-N 0 0 300.361 3.766 50 0 DHAARN CCOc1ccc(-c2cc(OCC)ncc2Br)cn1 ZINC000004352785 181101392 /nfs/dbraw/zinc/10/13/92/181101392.db2.gz BVBDAPBJYPUDBA-UHFFFAOYSA-N 0 0 323.190 3.704 50 0 DHAARN O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1c1ccc(Cl)cc1 ZINC000004385003 181104788 /nfs/dbraw/zinc/10/47/88/181104788.db2.gz ANDKTGRIQSHNPP-LLVKDONJSA-N 0 0 311.772 3.737 50 0 DHAARN COc1ccc(OC)c2c1nc1n2[C@H](O)C=C(C(C)(C)C)S1 ZINC000004386326 181105658 /nfs/dbraw/zinc/10/56/58/181105658.db2.gz RJEVIKSPPFJBOB-GFCCVEGCSA-N 0 0 320.414 3.580 50 0 DHAARN COc1cc2nc3n(c2cc1OC)[C@H](O)C=C(C(C)(C)C)S3 ZINC000004386797 181106202 /nfs/dbraw/zinc/10/62/02/181106202.db2.gz CMSHQJOEGLLOQA-CQSZACIVSA-N 0 0 320.414 3.580 50 0 DHAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 ZINC000004543283 181122479 /nfs/dbraw/zinc/12/24/79/181122479.db2.gz LKIYLPRCLFRHAG-ISVAXAHUSA-N 0 0 304.440 3.789 50 0 DHAARN O=c1cc(NCCc2c[nH]c3ccccc23)c2ccccc2o1 ZINC000004487873 181113695 /nfs/dbraw/zinc/11/36/95/181113695.db2.gz BADRBTSBHPOXOG-UHFFFAOYSA-N 0 0 304.349 3.929 50 0 DHAARN Cc1cc(OC(=O)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000004503113 181116671 /nfs/dbraw/zinc/11/66/71/181116671.db2.gz CTYASEHEVQUVGZ-UHFFFAOYSA-N 0 0 304.729 3.639 50 0 DHAARN COc1cccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)c1 ZINC000004508124 181117741 /nfs/dbraw/zinc/11/77/41/181117741.db2.gz VXKUUGUOZNYUNQ-HGQQOXHYSA-N 0 0 305.333 3.596 50 0 DHAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCO4)cc3)oc2c1 ZINC000004512078 181118352 /nfs/dbraw/zinc/11/83/52/181118352.db2.gz JJEZQEYRIFPYCG-INIZCTEOSA-N 0 0 322.364 3.921 50 0 DHAARN CC[C@H](C)C(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1 ZINC000004520036 181118688 /nfs/dbraw/zinc/11/86/88/181118688.db2.gz QPNUJGOVCIFGAM-NSHDSACASA-N 0 0 316.357 3.525 50 0 DHAARN Cc1cccc(-c2nc(CCNC(=O)c3ccco3)cs2)c1 ZINC000004570790 181125992 /nfs/dbraw/zinc/12/59/92/181125992.db2.gz ROGJTPYAIZYTMI-UHFFFAOYSA-N 0 0 312.394 3.684 50 0 DHAARN CSc1ccccc1-c1nnc(NC(=O)C2CCCCC2)o1 ZINC000004585561 181127469 /nfs/dbraw/zinc/12/74/69/181127469.db2.gz YQJFRZLSSOILFI-UHFFFAOYSA-N 0 0 317.414 3.977 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000004610445 181129331 /nfs/dbraw/zinc/12/93/31/181129331.db2.gz AUWMBBIBQMDFAH-INIZCTEOSA-N 0 0 322.408 3.603 50 0 DHAARN O=C(Cc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000004671540 181134741 /nfs/dbraw/zinc/13/47/41/181134741.db2.gz AVXQKYDCZXORCA-UHFFFAOYSA-N 0 0 317.772 3.683 50 0 DHAARN Cc1cc2ncn(C(=O)/C=C/c3ccc4c(c3)OCO4)c2cc1C ZINC000004670443 181134750 /nfs/dbraw/zinc/13/47/50/181134750.db2.gz JHOPVIFFKJDXCJ-GQCTYLIASA-N 0 0 320.348 3.735 50 0 DHAARN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2)[C@@H]1C ZINC000004614793 181129939 /nfs/dbraw/zinc/12/99/39/181129939.db2.gz LPMPPYTYFNJDFX-JMSVASOKSA-N 0 0 324.262 3.933 50 0 aggregator DHAARN Cc1ccccc1NC(C)(C)c1nnnn1-c1c(C)cccc1C ZINC000004645884 181131230 /nfs/dbraw/zinc/13/12/30/181131230.db2.gz LZDFCOYWUNAHNH-UHFFFAOYSA-N 0 0 321.428 3.935 50 0 DHAARN O=C1OC(c2ccccc2)=N/C1=C\c1c(F)cccc1Cl ZINC000004644710 181131542 /nfs/dbraw/zinc/13/15/42/181131542.db2.gz DJXHAHGWEYUHIN-ZROIWOOFSA-N 0 0 301.704 3.824 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 ZINC000004699025 181138612 /nfs/dbraw/zinc/13/86/12/181138612.db2.gz HRSJGOUDVGJKEQ-UHFFFAOYSA-N 0 0 313.397 3.613 50 0 DHAARN CCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1 ZINC000004699577 181139150 /nfs/dbraw/zinc/13/91/50/181139150.db2.gz RPPUMKCUPRHAMR-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN Cc1ccc(N(C)[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000004688421 181136929 /nfs/dbraw/zinc/13/69/29/181136929.db2.gz RDOFVUZJSMGNOA-INIZCTEOSA-N 0 0 312.394 3.657 50 0 DHAARN CCCCCC[C@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000004690653 181136987 /nfs/dbraw/zinc/13/69/87/181136987.db2.gz AMIUZDPAMTUBNW-MARXPDLDSA-N 0 0 303.402 3.904 50 0 DHAARN OCc1cnc(SCc2ccccc2)n1CCc1ccccc1 ZINC000004720118 181141704 /nfs/dbraw/zinc/14/17/04/181141704.db2.gz XCDOLUJVZFIREZ-UHFFFAOYSA-N 0 0 324.449 3.910 50 0 DHAARN C[C@]12c3ccccc3CCN1C(=O)O[C@@]2(C)Cc1ccccc1 ZINC000004745447 181146948 /nfs/dbraw/zinc/14/69/48/181146948.db2.gz QKFVPBUPWYXICK-VQTJNVASSA-N 0 0 307.393 3.912 50 0 DHAARN CC[C@H](C)n1cc(/C=C2\NC(=O)N(CC)C2=O)c2ccccc21 ZINC000004749748 181147514 /nfs/dbraw/zinc/14/75/14/181147514.db2.gz CTDQRVCFKGOLRR-GQVHDAKQSA-N 0 0 311.385 3.525 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)c2cc3ccccc3oc2=O)cc1C ZINC000004750264 181147738 /nfs/dbraw/zinc/14/77/38/181147738.db2.gz QDZVIOTYZOQNFK-CQSZACIVSA-N 0 0 321.376 3.901 50 0 DHAARN Nc1nc(NCc2ccccc2)sc1C(=O)c1ccccc1 ZINC000004742827 181146120 /nfs/dbraw/zinc/14/61/20/181146120.db2.gz ZXSFDMCCPHLEHU-UHFFFAOYSA-N 0 0 309.394 3.568 50 0 DHAARN COc1ccccc1-c1nn2c(nnc2-c2ccc(C)cc2)s1 ZINC000004807677 181153903 /nfs/dbraw/zinc/15/39/03/181153903.db2.gz LPFAFJAVXCFQET-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN Cc1cc(OC(=O)c2cccs2)c2c(C)cc(=O)oc2c1 ZINC000004807674 181154018 /nfs/dbraw/zinc/15/40/18/181154018.db2.gz SUPWLHDZICWMNR-UHFFFAOYSA-N 0 0 300.335 3.691 50 0 DHAARN O=Cc1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000004841321 181161413 /nfs/dbraw/zinc/16/14/13/181161413.db2.gz XYQKVTQIGJKGRH-UHFFFAOYSA-N 0 0 324.163 3.823 50 0 DHAARN COc1c(C)cccc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000004841138 181161428 /nfs/dbraw/zinc/16/14/28/181161428.db2.gz IUTFUDHYRHKSRF-UHFFFAOYSA-N 0 0 310.397 3.856 50 0 DHAARN O=C(Nc1ncccc1O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000073407351 191314273 /nfs/dbraw/zinc/31/42/73/191314273.db2.gz XINAGVMBRPGMPT-MNOVXSKESA-N 0 0 322.286 3.548 50 0 DHAARN CCCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000004842430 181161941 /nfs/dbraw/zinc/16/19/41/181161941.db2.gz UHXPAHDPJVAWGB-UHFFFAOYSA-N 0 0 310.397 3.997 50 0 DHAARN O=C(Nc1ccc2c[nH]nc2c1)c1ccc(C(F)(F)F)cc1 ZINC000004864744 181165363 /nfs/dbraw/zinc/16/53/63/181165363.db2.gz QKVFDWJBZZKCGH-UHFFFAOYSA-N 0 0 305.259 3.834 50 0 DHAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000004867153 181165741 /nfs/dbraw/zinc/16/57/41/181165741.db2.gz CAFMYWXDWDWWSH-ZUZCIYMTSA-N 0 0 303.745 3.507 50 0 DHAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000004867152 181165920 /nfs/dbraw/zinc/16/59/20/181165920.db2.gz CAFMYWXDWDWWSH-MEBBXXQBSA-N 0 0 303.745 3.507 50 0 DHAARN CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000004901915 181169929 /nfs/dbraw/zinc/16/99/29/181169929.db2.gz YPMIKOAZOLBDTB-UHFFFAOYSA-N 0 0 311.403 3.762 50 0 DHAARN CCSc1nsc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000004898341 181170051 /nfs/dbraw/zinc/17/00/51/181170051.db2.gz VUYNHVJFZQHPQV-UHFFFAOYSA-N 0 0 314.823 3.948 50 0 DHAARN CCCOc1ccc2ccccc2c1/C=C1\SC(=N)NC1=O ZINC000004907181 181171139 /nfs/dbraw/zinc/17/11/39/181171139.db2.gz JQNJWCCOPGIBEW-GDNBJRDFSA-N 0 0 312.394 3.767 50 0 DHAARN O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CCCC[C@H]12 ZINC000004915120 181172384 /nfs/dbraw/zinc/17/23/84/181172384.db2.gz URQRJBGVAYQYGC-HNNXBMFYSA-N 0 0 317.816 3.564 50 0 DHAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2cccnc2)nc1 ZINC000004916979 181172714 /nfs/dbraw/zinc/17/27/14/181172714.db2.gz BBSFOWKVJDCUAI-SFHVURJKSA-N 0 0 316.364 3.556 50 0 aggregator DHAARN Cc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3)n2)cc1 ZINC000004921136 181173319 /nfs/dbraw/zinc/17/33/19/181173319.db2.gz IQOGSSBOLJVUKM-UHFFFAOYSA-N 0 0 321.380 3.641 50 0 DHAARN O=C(NC1CC1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938388 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181187384 /nfs/dbraw/zinc/18/73/84/181187384.db2.gz GWSXJJPHQISQMH-GFCCVEGCSA-N 0 0 315.417 3.867 50 0 DHAARN CCOc1ccccc1CNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000075550730 191490313 /nfs/dbraw/zinc/49/03/13/191490313.db2.gz DXYHIJYCNWGGKQ-UHFFFAOYSA-N 0 0 322.408 3.816 50 0 DHAARN Clc1ccccc1CSc1n[nH]c(-c2ccccn2)n1 ZINC000005016667 181191154 /nfs/dbraw/zinc/19/11/54/181191154.db2.gz GJISZRRKNNYNAY-UHFFFAOYSA-N 0 0 302.790 3.812 50 0 DHAARN CC(C)[C@H](N)c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000005025296 181192791 /nfs/dbraw/zinc/19/27/91/181192791.db2.gz SCOZYLDDGDZDCU-NSHDSACASA-N 0 0 315.801 3.810 50 0 DHAARN Cc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cn1 ZINC000076067164 191568519 /nfs/dbraw/zinc/56/85/19/191568519.db2.gz QVEIGTBWGITOGH-OAHLLOKOSA-N 0 0 312.438 3.644 50 0 DHAARN O=C(Nc1nccs1)c1ccoc1COc1ccccc1 ZINC000005033000 181193719 /nfs/dbraw/zinc/19/37/19/181193719.db2.gz VJCVHFZBWQCTKC-UHFFFAOYSA-N 0 0 300.339 3.567 50 0 DHAARN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1cccnc1 ZINC000076467523 191649075 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181208293 /nfs/dbraw/zinc/20/82/93/181208293.db2.gz GDTNDAKTCGFDAF-UHFFFAOYSA-N 0 0 322.339 3.994 50 0 DHAARN CCOC(=O)c1c(C)n(Cc2cccc(Cl)c2)c(C)c1C=O ZINC000005138301 181208568 /nfs/dbraw/zinc/20/85/68/181208568.db2.gz UCUMILOJFIXJIJ-UHFFFAOYSA-N 0 0 319.788 3.796 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3snnc3c2)cc1Cl ZINC000005152143 181210067 /nfs/dbraw/zinc/21/00/67/181210067.db2.gz RVRBLFPRUWYXGX-UHFFFAOYSA-N 0 0 303.774 3.905 50 0 DHAARN CCc1cc(=O)[nH]c(SCc2ccc(C(F)(F)F)cc2)n1 ZINC000005155033 181210890 /nfs/dbraw/zinc/21/08/90/181210890.db2.gz CKDAXGQHNYIEMU-UHFFFAOYSA-N 0 0 314.332 3.643 50 0 DHAARN O=C1COc2ccc(-c3csc(-c4cccs4)n3)cc2N1 ZINC000005156844 181211666 /nfs/dbraw/zinc/21/16/66/181211666.db2.gz NHBNNOYCAZHUEG-UHFFFAOYSA-N 0 0 314.391 3.870 50 0 DHAARN C[C@H](NC=O)c1nc2ccccc2n1C/C=C\c1ccccc1 ZINC000005235858 181219797 /nfs/dbraw/zinc/21/97/97/181219797.db2.gz DWHGURBJURRFMY-XMELGKRDSA-N 0 0 305.381 3.557 50 0 DHAARN COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000005243399 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181258856 /nfs/dbraw/zinc/25/88/56/181258856.db2.gz JVDMDABPGCJUEU-UHFFFAOYSA-N 0 0 312.655 3.566 50 0 DHAARN O=C(COc1ccccc1-c1ccccc1)Nc1nccs1 ZINC000005575494 181258869 /nfs/dbraw/zinc/25/88/69/181258869.db2.gz GLHMWBLHJRICHV-UHFFFAOYSA-N 0 0 310.378 3.828 50 0 DHAARN C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccncc1 ZINC000005636231 181266786 /nfs/dbraw/zinc/26/67/86/181266786.db2.gz BBWYRQRAVGZNLB-LBPRGKRZSA-N 0 0 300.427 3.903 50 0 DHAARN CCc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000005658348 181268643 /nfs/dbraw/zinc/26/86/43/181268643.db2.gz XXVKTBROOSSZNB-HNNXBMFYSA-N 0 0 317.454 3.549 50 0 DHAARN COc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000005681007 181271271 /nfs/dbraw/zinc/27/12/71/181271271.db2.gz SFPBDLWCKYEGNR-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN COc1cc(NC(=O)CCCc2cccs2)cc(OC)c1 ZINC000005681773 181271710 /nfs/dbraw/zinc/27/17/10/181271710.db2.gz MWPPZEKRMHKXAS-UHFFFAOYSA-N 0 0 305.399 3.727 50 0 DHAARN CCCCCC[C@@H](O)CCC1N=NC(=S)N1c1ccccc1 ZINC000005694827 181273228 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Cc1ccnc(NC(=O)c2noc3c2CSc2ccccc2-3)c1 ZINC000015673984 182011647 /nfs/dbraw/zinc/01/16/47/182011647.db2.gz ZWGBKFPQFQQHAR-UHFFFAOYSA-N 0 0 323.377 3.903 50 0 DHAARN CCCc1nc(SC)ncc1C(=O)N[C@H](C)c1ccccc1 ZINC000015681172 182012414 /nfs/dbraw/zinc/01/24/14/182012414.db2.gz NLICNOXRJFTEER-GFCCVEGCSA-N 0 0 315.442 3.642 50 0 DHAARN CCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)cc1 ZINC000015721823 182013087 /nfs/dbraw/zinc/01/30/87/182013087.db2.gz WATZCDLYNHAZFS-UHFFFAOYSA-N 0 0 321.380 3.900 50 0 DHAARN CCc1cccc(NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c1 ZINC000015772790 182015416 /nfs/dbraw/zinc/01/54/16/182015416.db2.gz VCOQAVDKRGYECQ-UHFFFAOYSA-N 0 0 317.392 3.990 50 0 DHAARN CC(=O)[C@H](C)Sc1nnc2cc(C)c3cc(C)cc(C)c3n21 ZINC000015831953 182019607 /nfs/dbraw/zinc/01/96/07/182019607.db2.gz JPSYKTRAVVPQAP-ZDUSSCGKSA-N 0 0 313.426 3.877 50 0 DHAARN CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccco1 ZINC000015831419 182019773 /nfs/dbraw/zinc/01/97/73/182019773.db2.gz SUHSXEWFJBGEPW-MRXNPFEDSA-N 0 0 314.429 3.610 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DHAARN CN1CCc2nc(NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000015880119 182023992 /nfs/dbraw/zinc/02/39/92/182023992.db2.gz WNVHRYSVVQWEGL-UHFFFAOYSA-N 0 0 323.421 3.537 50 0 DHAARN COc1cccc(-c2ocnc2C(=O)Nc2ccccc2OC)c1 ZINC000015782227 182016478 /nfs/dbraw/zinc/01/64/78/182016478.db2.gz RHVBJYLCJNZEAE-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN CCn1nc(C)c(CNC(=O)Nc2cccc(Cl)c2C)c1C ZINC000015782433 182016812 /nfs/dbraw/zinc/01/68/12/182016812.db2.gz CDHBFAMCAWSOJL-UHFFFAOYSA-N 0 0 320.824 3.803 50 0 DHAARN Cc1cccc(-c2ocnc2C(=O)NCc2cccc(F)c2)c1 ZINC000015782284 182016854 /nfs/dbraw/zinc/01/68/54/182016854.db2.gz PKYQGYXLSBLJEV-UHFFFAOYSA-N 0 0 310.328 3.719 50 0 DHAARN Cn1c(-c2ccccc2)cnc1NC(=O)NCc1ccc(F)cc1 ZINC000015786043 182017218 /nfs/dbraw/zinc/01/72/18/182017218.db2.gz NPCWJKTTWXXVDI-UHFFFAOYSA-N 0 0 324.359 3.548 50 0 DHAARN CCc1cccc(C)c1NC(=O)C1=Cc2cc(OC)ccc2OC1 ZINC000015786310 182017371 /nfs/dbraw/zinc/01/73/71/182017371.db2.gz CFAXFXLHZDUGDN-UHFFFAOYSA-N 0 0 323.392 3.981 50 0 DHAARN CC(C)Sc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000015973601 182027040 /nfs/dbraw/zinc/02/70/40/182027040.db2.gz WYSRKRWADUMSTB-SNVBAGLBSA-N 0 0 315.439 3.792 50 0 DHAARN O=C1c2ccccc2C(=O)N1CSc1ccc(F)c(Cl)c1 ZINC000016120311 182034856 /nfs/dbraw/zinc/03/48/56/182034856.db2.gz WCPACHZVRMBOOQ-UHFFFAOYSA-N 0 0 321.760 3.825 50 0 DHAARN Cc1ccc2c(-c3nnnn3-c3ccc(F)cc3)c[nH]c2c1C ZINC000016348817 182042338 /nfs/dbraw/zinc/04/23/38/182042338.db2.gz ZUYBCSCTFXLJBC-UHFFFAOYSA-N 0 0 307.332 3.567 50 0 DHAARN Cc1cccc(NC(=O)[C@H](C)N(C)Cc2cccc(F)c2)c1 ZINC000016374185 182042968 /nfs/dbraw/zinc/04/29/68/182042968.db2.gz ADUJDDZPGKBGMQ-AWEZNQCLSA-N 0 0 300.377 3.593 50 0 DHAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCCC1 ZINC000016445418 182045109 /nfs/dbraw/zinc/04/51/09/182045109.db2.gz PQTGFOHPDIJJPE-IBGZPJMESA-N 0 0 324.424 3.779 50 0 DHAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000016605114 182052654 /nfs/dbraw/zinc/05/26/54/182052654.db2.gz UGOCEOXZFHNEFQ-CQSZACIVSA-N 0 0 311.381 3.566 50 0 DHAARN Cc1n[nH]c(C)c1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000016841727 182061863 /nfs/dbraw/zinc/06/18/63/182061863.db2.gz GBAXJQQPSXRUDI-UHFFFAOYSA-N 0 0 302.765 3.515 50 0 DHAARN Brc1ccc(CNc2ccc3c(c2)OCO3)s1 ZINC000016663152 182056630 /nfs/dbraw/zinc/05/66/30/182056630.db2.gz ITAIINJUXMOBTF-UHFFFAOYSA-N 0 0 312.188 3.851 50 0 DHAARN COc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1O ZINC000016698666 182058251 /nfs/dbraw/zinc/05/82/51/182058251.db2.gz YCSZRYCZCWVAQF-SDQBBNPISA-N 0 0 301.729 3.547 50 0 DHAARN COc1cc(C=O)ccc1OC(=O)c1oc2ccccc2c1C ZINC000016753321 182060162 /nfs/dbraw/zinc/06/01/62/182060162.db2.gz YSMRPBFYHCREQF-UHFFFAOYSA-N 0 0 310.305 3.782 50 0 DHAARN CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000016903682 182063590 /nfs/dbraw/zinc/06/35/90/182063590.db2.gz WEUAACGHUVSDCD-MRXNPFEDSA-N 0 0 324.424 3.655 50 0 DHAARN COc1cc2nc(NC(=O)c3ccccc3)sc2cc1OC ZINC000016944216 182065130 /nfs/dbraw/zinc/06/51/30/182065130.db2.gz CWDHMNONQBHXGV-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN Nc1nc(Nc2ccccc2)nc(-c2cc3ccccc3o2)n1 ZINC000017027208 182068090 /nfs/dbraw/zinc/06/80/90/182068090.db2.gz VOYMCSOVJRFOEA-UHFFFAOYSA-N 0 0 303.325 3.611 50 0 DHAARN N=c1oc2ccc(Cl)cc2cc1C(=O)NC1CCCCC1 ZINC000017031152 182069007 /nfs/dbraw/zinc/06/90/07/182069007.db2.gz AYFRHFDLBLWNLH-UHFFFAOYSA-N 0 0 304.777 3.628 50 0 DHAARN Cn1c2c(cccc2F)s/c1=N\C(=O)/C=C/c1ccccc1 ZINC000017149375 182076902 /nfs/dbraw/zinc/07/69/02/182076902.db2.gz AIGDRYZFBWOQFY-FVZMSGPBSA-N 0 0 312.369 3.520 50 0 DHAARN O=c1c2ccccc2nc2sc(-c3cccc(Cl)c3)nn21 ZINC000017052600 182071439 /nfs/dbraw/zinc/07/14/39/182071439.db2.gz DAIQIUVRPKCIKA-UHFFFAOYSA-N 0 0 313.769 3.625 50 0 DHAARN CC[C@H](Sc1ccc(N)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000017053959 182072260 /nfs/dbraw/zinc/07/22/60/182072260.db2.gz BXOINFDCEKBSEQ-INIZCTEOSA-N 0 0 316.426 3.787 50 0 DHAARN Cc1csc(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000017120925 182076385 /nfs/dbraw/zinc/07/63/85/182076385.db2.gz PXWQZQKXWBYUIN-UHFFFAOYSA-N 0 0 304.440 3.636 50 0 DHAARN CC[C@H](C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 ZINC000017207772 182080005 /nfs/dbraw/zinc/08/00/05/182080005.db2.gz VQJDIRREVPLGPB-LBPRGKRZSA-N 0 0 313.382 3.930 50 0 aggregator DHAARN CCCNc1nc2c(cnn2C)c(Nc2ccc(C)cc2C)n1 ZINC000017286247 182080779 /nfs/dbraw/zinc/08/07/79/182080779.db2.gz AKEBMKFSNTZSCS-UHFFFAOYSA-N 0 0 310.405 3.546 50 0 DHAARN Cc1[nH]c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2c1C ZINC000017303620 182082391 /nfs/dbraw/zinc/08/23/91/182082391.db2.gz CGBHSIYIRIVKOD-UHFFFAOYSA-N 0 0 304.353 3.913 50 0 DHAARN CCC1CCC2(CC1)NC(=S)N(c1ccc(Cl)cc1)N2 ZINC000018106157 182093317 /nfs/dbraw/zinc/09/33/17/182093317.db2.gz VDMQEYPKTMKDTH-UHFFFAOYSA-N 0 0 309.866 3.836 50 0 DHAARN COc1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1 ZINC000018167494 182095652 /nfs/dbraw/zinc/09/56/52/182095652.db2.gz AVYZODVETQNZRF-UHFFFAOYSA-N 0 0 312.325 3.592 50 0 DHAARN Cc1ccc(-c2cc3[nH]c(Cc4ccccc4)cc(=O)n3n2)cc1 ZINC000018179262 182097211 /nfs/dbraw/zinc/09/72/11/182097211.db2.gz IQDCQVYGRQJJJN-UHFFFAOYSA-N 0 0 315.376 3.589 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)C1CC1 ZINC000018208060 182098563 /nfs/dbraw/zinc/09/85/63/182098563.db2.gz BGMPDRMGGLVIGR-VIFPVBQESA-N 0 0 304.390 3.786 50 0 DHAARN Cc1[nH]n(Cc2ccccc2)c2nc(-c3ccc(C)cc3O)nc1-2 ZINC000019111560 182104500 /nfs/dbraw/zinc/10/45/00/182104500.db2.gz DBIMKLROQITLRS-UHFFFAOYSA-N 0 0 318.380 3.797 50 0 DHAARN CC(=O)c1cc(CC(=O)NCc2ccc(Cl)s2)cs1 ZINC000019113406 182105451 /nfs/dbraw/zinc/10/54/51/182105451.db2.gz HLCXOCDNZIEMDD-UHFFFAOYSA-N 0 0 313.831 3.525 50 0 DHAARN Cc1nc(COc2ccccc2C(=O)NCCC(C)C)cs1 ZINC000019309768 182114320 /nfs/dbraw/zinc/11/43/20/182114320.db2.gz ZEZHFDXUJJUMMR-UHFFFAOYSA-N 0 0 318.442 3.806 50 0 DHAARN CCOC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000019472068 182124373 /nfs/dbraw/zinc/12/43/73/182124373.db2.gz TUWHVGLVCKAJJO-UHFFFAOYSA-N 0 0 322.158 3.813 50 0 DHAARN COc1ccc2[nH+]c(C)cc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000019702916 182137755 /nfs/dbraw/zinc/13/77/55/182137755.db2.gz HIIKTNLDOPHXLM-UHFFFAOYSA-N 0 0 308.337 3.994 50 0 biogenic DHAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000019721066 182138251 /nfs/dbraw/zinc/13/82/51/182138251.db2.gz HALDWHRYVQODIK-TXEJJXNPSA-N 0 0 320.820 3.913 50 0 DHAARN Cc1cc(OCC(=O)Nc2cccc(N)c2C)ccc1Cl ZINC000019736244 182139986 /nfs/dbraw/zinc/13/99/86/182139986.db2.gz VUNYYLODJVJDOK-UHFFFAOYSA-N 0 0 304.777 3.557 50 0 DHAARN COc1ccc(N)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000019736213 182140096 /nfs/dbraw/zinc/14/00/96/182140096.db2.gz UWQZWQZPYNHANF-UHFFFAOYSA-N 0 0 314.385 3.565 50 0 DHAARN Cc1ccc(N)cc1NC(=O)COc1ccccc1C(C)(C)C ZINC000019736139 182140321 /nfs/dbraw/zinc/14/03/21/182140321.db2.gz XCTCVIJQHTXOCL-UHFFFAOYSA-N 0 0 312.413 3.892 50 0 DHAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000019736477 182140843 /nfs/dbraw/zinc/14/08/43/182140843.db2.gz MRJYSYSOPKAATK-NSHDSACASA-N 0 0 304.777 3.637 50 0 DHAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(N)ccc1F ZINC000019736546 182140848 /nfs/dbraw/zinc/14/08/48/182140848.db2.gz HIJWBFLPRKPCFZ-LBPRGKRZSA-N 0 0 316.376 3.939 50 0 DHAARN CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 ZINC000019736793 182140862 /nfs/dbraw/zinc/14/08/62/182140862.db2.gz ZBMYAOGAIAEXJQ-LLVKDONJSA-N 0 0 302.349 3.838 50 0 DHAARN Cc1oc(-c2ccoc2)nc1CN1CCOc2ccccc2C1 ZINC000019740201 182141372 /nfs/dbraw/zinc/14/13/72/182141372.db2.gz YYFHXNKUMOFLNN-UHFFFAOYSA-N 0 0 310.353 3.638 50 0 DHAARN COc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1 ZINC000019926881 182165168 /nfs/dbraw/zinc/16/51/68/182165168.db2.gz NIZBKIAHTHMFFG-MRXNPFEDSA-N 0 0 303.358 3.613 50 0 DHAARN COc1ccc(O)c(C(=O)CSc2nc3ccccc3o2)c1 ZINC000019851093 182157495 /nfs/dbraw/zinc/15/74/95/182157495.db2.gz VJCZBCYZYGJHQM-UHFFFAOYSA-N 0 0 315.350 3.517 50 0 DHAARN Cc1cc(C)cc(OS(=O)(=O)c2ccc(C)c(C)c2C)c1 ZINC000019943381 182168920 /nfs/dbraw/zinc/16/89/20/182168920.db2.gz MNFSQCNHCPKMLG-UHFFFAOYSA-N 0 0 304.411 3.996 50 0 DHAARN Fc1ccc(CNc2ccc3c(c2)OCO3)cc1Br ZINC000019966349 182170712 /nfs/dbraw/zinc/17/07/12/182170712.db2.gz KCZXSTHSJSSYNB-UHFFFAOYSA-N 0 0 324.149 3.929 50 0 DHAARN C[C@@H](NC(=O)/C=C/c1ccco1)c1cccc(Br)c1 ZINC000020030326 182181334 /nfs/dbraw/zinc/18/13/34/182181334.db2.gz SMTYYYXMDMYMMQ-WSKFYRRCSA-N 0 0 320.186 3.933 50 0 DHAARN O=C(NCc1noc2ccccc12)Nc1cccc(Cl)c1 ZINC000020105354 182187233 /nfs/dbraw/zinc/18/72/33/182187233.db2.gz SZRJDSGKUNQRMZ-UHFFFAOYSA-N 0 0 301.733 3.803 50 0 DHAARN Cc1ccc(F)c(N2C(=O)c3c(c4ccccc4nc3C)C2=O)c1 ZINC000020116316 182188561 /nfs/dbraw/zinc/18/85/61/182188561.db2.gz UTXCSMXWLSSCOE-UHFFFAOYSA-N 0 0 320.323 3.791 50 0 DHAARN CCc1nnc2c3ccccc3nc(NCc3ccc(F)cc3)n12 ZINC000020178074 182194687 /nfs/dbraw/zinc/19/46/87/182194687.db2.gz VWQXHZMUJZUVGZ-UHFFFAOYSA-N 0 0 321.359 3.591 50 0 DHAARN CCc1noc(C)c1C(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000097635030 193741431 /nfs/dbraw/zinc/74/14/31/193741431.db2.gz XAILVVKFNAEGLY-UHFFFAOYSA-N 0 0 322.408 3.746 50 0 DHAARN Cc1ccccc1-c1c[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC000020205728 182197438 /nfs/dbraw/zinc/19/74/38/182197438.db2.gz PHEKUGNFHQVXJG-AWEZNQCLSA-N 0 0 309.413 3.644 50 0 DHAARN CCSc1nc(SC)nc2sc3c(c21)CCN(C)C3 ZINC000020394051 182214302 /nfs/dbraw/zinc/21/43/02/182214302.db2.gz MNNOFWLPMVDLBZ-UHFFFAOYSA-N 0 0 311.501 3.513 50 0 DHAARN Cc1nc(NC(=O)[C@@H](C)Nc2cccc(C)c2C)sc1C ZINC000020402724 182214850 /nfs/dbraw/zinc/21/48/50/182214850.db2.gz UFGHBEBZFFVQJF-GFCCVEGCSA-N 0 0 303.431 3.816 50 0 DHAARN O=c1nc(-c2ccccn2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000020369436 182212501 /nfs/dbraw/zinc/21/25/01/182212501.db2.gz CBDRMTDQFNGIRZ-UHFFFAOYSA-N 0 0 323.352 3.853 50 0 DHAARN C[C@H](NC(=O)c1noc2c1COc1ccccc1-2)c1ccccc1 ZINC000020484841 182223298 /nfs/dbraw/zinc/22/32/98/182223298.db2.gz RJFRKNDSIZHFNO-LBPRGKRZSA-N 0 0 320.348 3.725 50 0 DHAARN Cc1cccc(-c2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1 ZINC000020417579 182215685 /nfs/dbraw/zinc/21/56/85/182215685.db2.gz QXFXTTXEZXRDNW-KBPBESRZSA-N 0 0 302.443 3.728 50 0 DHAARN OCCSCc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000020568955 182234225 /nfs/dbraw/zinc/23/42/25/182234225.db2.gz JFIBFITVFVKWRI-UHFFFAOYSA-N 0 0 310.422 3.969 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1N ZINC000020550509 182230280 /nfs/dbraw/zinc/23/02/80/182230280.db2.gz ZKXFJDCWWSKUHN-UHFFFAOYSA-N 0 0 311.168 3.837 50 0 DHAARN Cc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)nc1 ZINC000020575468 182234682 /nfs/dbraw/zinc/23/46/82/182234682.db2.gz CLTXTOYECIHCII-UHFFFAOYSA-N 0 0 302.337 3.672 50 0 DHAARN CCC1(CC)C[C@@H]1C(=O)N1CCCC[C@@H]1CCn1ccnc1C ZINC000020586663 182235931 /nfs/dbraw/zinc/23/59/31/182235931.db2.gz ALKYUQOTAKVKIY-IAGOWNOFSA-N 0 0 317.477 3.789 50 0 DHAARN CCn1ncc(-c2cc(C(F)F)c3cnn(CC)c3n2)c1C ZINC000020603657 182237200 /nfs/dbraw/zinc/23/72/00/182237200.db2.gz AOBKQMKECJVOPN-UHFFFAOYSA-N 0 0 305.332 3.581 50 0 DHAARN O=C1CS[C@H](c2ccc(Br)cc2)c2c[nH]nc2N1 ZINC000020732063 182244988 /nfs/dbraw/zinc/24/49/88/182244988.db2.gz HUIOHVMHWALDNK-LLVKDONJSA-N 0 0 324.203 3.596 50 0 DHAARN CCc1ccccc1NC(=O)c1cnc(SC)nc1CC ZINC000020931692 182254941 /nfs/dbraw/zinc/25/49/41/182254941.db2.gz ZQFRRDMOENBKOV-UHFFFAOYSA-N 0 0 301.415 3.576 50 0 DHAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000020851138 182249491 /nfs/dbraw/zinc/24/94/91/182249491.db2.gz GESNGQUFYSTKNS-AWEZNQCLSA-N 0 0 314.385 3.755 50 0 DHAARN CCSc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)s1 ZINC000020866039 182250883 /nfs/dbraw/zinc/25/08/83/182250883.db2.gz OFJJNTCCNXCXKW-UHFFFAOYSA-N 0 0 318.423 3.607 50 0 DHAARN O=C(CCCc1nc(-c2cccs2)no1)NC1CCCCC1 ZINC000020894281 182252416 /nfs/dbraw/zinc/25/24/16/182252416.db2.gz QMVRUENBSWBUDY-UHFFFAOYSA-N 0 0 319.430 3.570 50 0 DHAARN Cc1ccc(-c2ocnc2C(=O)NCCc2cccc(C)c2)cc1 ZINC000021044528 182263031 /nfs/dbraw/zinc/26/30/31/182263031.db2.gz CNCUDUMHUOQTMF-UHFFFAOYSA-N 0 0 320.392 3.931 50 0 DHAARN COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(C)cc(C)c1)CO2 ZINC000021094990 182264727 /nfs/dbraw/zinc/26/47/27/182264727.db2.gz CTVNFSVFXHNMCZ-HNNXBMFYSA-N 0 0 311.381 3.502 50 0 DHAARN COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C)c(C)c1)CO2 ZINC000021094975 182264850 /nfs/dbraw/zinc/26/48/50/182264850.db2.gz FQLBOHMTWQIFFO-OAHLLOKOSA-N 0 0 311.381 3.502 50 0 DHAARN CCCc1nc(SC)ncc1C(=O)Nc1ccc(C)cc1 ZINC000020931886 182255191 /nfs/dbraw/zinc/25/51/91/182255191.db2.gz BSAGDYODRSPJDG-UHFFFAOYSA-N 0 0 301.415 3.712 50 0 DHAARN Cc1cc(C)c(-c2c(=O)c(=O)c2N[C@@H]2CCCC[C@@H]2C)cc1C ZINC000020939818 182256031 /nfs/dbraw/zinc/25/60/31/182256031.db2.gz GQKZQZRADNKHET-MEDUHNTESA-N 0 0 311.425 3.865 50 0 DHAARN O=C(C[C@H](c1cccc(F)c1)n1cccc1)Nc1nccs1 ZINC000020997993 182258021 /nfs/dbraw/zinc/25/80/21/182258021.db2.gz USWYDZVPGJZPPW-CQSZACIVSA-N 0 0 315.373 3.702 50 0 DHAARN Cc1ccc(CNC(=O)C[C@@H](c2ccco2)n2cccc2)cc1 ZINC000020997328 182258273 /nfs/dbraw/zinc/25/82/73/182258273.db2.gz ZVANXCYBBNQBIH-KRWDZBQOSA-N 0 0 308.381 3.685 50 0 DHAARN O=C(C[C@@H](c1ccc(F)cc1)n1cccc1)Nc1ccccn1 ZINC000020997784 182258279 /nfs/dbraw/zinc/25/82/79/182258279.db2.gz ANVGOXKPKRHGDT-INIZCTEOSA-N 0 0 309.344 3.640 50 0 DHAARN Cc1ccsc1C(=O)OCc1nc(-c2ccc(C)cc2)no1 ZINC000021468524 182274078 /nfs/dbraw/zinc/27/40/78/182274078.db2.gz YELAXHQKXUTTHN-UHFFFAOYSA-N 0 0 314.366 3.772 50 0 DHAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1ncccn1 ZINC000021210245 182269225 /nfs/dbraw/zinc/26/92/25/182269225.db2.gz MAGQIZCQRMXLIZ-UHFFFAOYSA-N 0 0 303.321 3.557 50 0 DHAARN Cc1cc(C)c(-c2c(=O)c(=O)c2NCc2ccc(F)cc2)cc1C ZINC000021217032 182269480 /nfs/dbraw/zinc/26/94/80/182269480.db2.gz RBZNCMJKKIUPHF-UHFFFAOYSA-N 0 0 323.367 3.626 50 0 DHAARN Cc1nc(-c2c[nH]c(C(=O)N3CCc4ccccc43)c2)cs1 ZINC000021278586 182270730 /nfs/dbraw/zinc/27/07/30/182270730.db2.gz WKQSNLAHXGHDJZ-UHFFFAOYSA-N 0 0 309.394 3.650 50 0 DHAARN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000021325710 182271868 /nfs/dbraw/zinc/27/18/68/182271868.db2.gz BUOZDPZARVPESJ-LBPRGKRZSA-N 0 0 309.818 3.688 50 0 DHAARN CCCc1cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)no1 ZINC000021719335 182285439 /nfs/dbraw/zinc/28/54/39/182285439.db2.gz NDGXOOVNVRFONH-KRWDZBQOSA-N 0 0 316.376 3.672 50 0 DHAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cccc(F)c2)no1 ZINC000021719008 182285472 /nfs/dbraw/zinc/28/54/72/182285472.db2.gz 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/nfs/dbraw/zinc/29/04/30/182290430.db2.gz XGFGOTZRJBNWHR-UHFFFAOYSA-N 0 0 323.352 3.778 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)on1 ZINC000022077699 182308175 /nfs/dbraw/zinc/30/81/75/182308175.db2.gz AZLAKVJNPBXEEJ-CQSZACIVSA-N 0 0 323.396 3.595 50 0 DHAARN Cc1ccccc1C(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl ZINC000022135295 182310368 /nfs/dbraw/zinc/31/03/68/182310368.db2.gz NZFYTPZHELJBPO-UHFFFAOYSA-N 0 0 323.179 3.653 50 0 DHAARN CCCn1c2ccccc2n(Cc2ccc(SC)cc2)c1=O ZINC000022144817 182310498 /nfs/dbraw/zinc/31/04/98/182310498.db2.gz DIKQITUPWCKUJO-UHFFFAOYSA-N 0 0 312.438 3.983 50 0 DHAARN CC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)s1 ZINC000022282680 182316267 /nfs/dbraw/zinc/31/62/67/182316267.db2.gz RIMCPHYQHJZMRN-UHFFFAOYSA-N 0 0 313.422 3.802 50 0 DHAARN Cc1csc(CNC(=O)c2cc(Cl)ccc2Cl)n1 ZINC000022282265 182316300 /nfs/dbraw/zinc/31/63/00/182316300.db2.gz JHNKESVUDMSEFE-UHFFFAOYSA-N 0 0 301.198 3.688 50 0 DHAARN CCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000022319089 182317899 /nfs/dbraw/zinc/31/78/99/182317899.db2.gz YIRCBXKHEFBDAY-SNVBAGLBSA-N 0 0 309.431 3.788 50 0 DHAARN CC(C)(C)c1ccc2c(c1)C[C@H](CNC(=O)c1ccccc1)O2 ZINC000022328506 182318447 /nfs/dbraw/zinc/31/84/47/182318447.db2.gz ULFQGRMOVWEAGZ-QGZVFWFLSA-N 0 0 309.409 3.718 50 0 DHAARN O=C(CCc1ccccc1O)Nc1nc2c(s1)CCCCC2 ZINC000022375470 182320080 /nfs/dbraw/zinc/32/00/80/182320080.db2.gz MNIPPDAZJQWDIP-UHFFFAOYSA-N 0 0 316.426 3.689 50 0 DHAARN CCCCc1noc(CSc2nc3cc(OC)ccc3[nH]2)n1 ZINC000022611047 182328064 /nfs/dbraw/zinc/32/80/64/182328064.db2.gz AURJNKOOVQDPAR-UHFFFAOYSA-N 0 0 318.402 3.589 50 0 DHAARN CC(=O)Nc1c(O)cc2c3c(cccc13)C(=O)c1ccccc1-2 ZINC000022636371 182329097 /nfs/dbraw/zinc/32/90/97/182329097.db2.gz IQCJKAFVYZAUNK-UHFFFAOYSA-N 0 0 303.317 3.715 50 0 DHAARN COc1ccccc1-c1onc(C)c1C(=O)NCc1ccccc1 ZINC000022649094 182329800 /nfs/dbraw/zinc/32/98/00/182329800.db2.gz KUEUIXNMOCHFNB-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN CCC[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000022461827 182322412 /nfs/dbraw/zinc/32/24/12/182322412.db2.gz RRGCHPIPEDIMGO-AWEZNQCLSA-N 0 0 307.397 3.944 50 0 DHAARN Cc1ccccc1-c1nn2c(nnc2-c2cc(C(C)C)n[nH]2)s1 ZINC000022502104 182323802 /nfs/dbraw/zinc/32/38/02/182323802.db2.gz VGSYGNLQGBYLMY-UHFFFAOYSA-N 0 0 324.413 3.675 50 0 DHAARN O=C(NCCc1c[nH]c2ccccc12)c1nc2ccccc2s1 ZINC000022500822 182323894 /nfs/dbraw/zinc/32/38/94/182323894.db2.gz BJYAJJLWTJKRFT-UHFFFAOYSA-N 0 0 321.405 3.750 50 0 DHAARN O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccco1 ZINC000022768792 182333894 /nfs/dbraw/zinc/33/38/94/182333894.db2.gz GNLUMLLNYAEZCL-UHFFFAOYSA-N 0 0 308.293 3.611 50 0 DHAARN COc1cccc(CC(=O)N(C)[C@H]2CCCc3ccccc32)c1 ZINC000023152202 182352191 /nfs/dbraw/zinc/35/21/91/182352191.db2.gz IRUCQTRMFLGUFX-IBGZPJMESA-N 0 0 309.409 3.774 50 0 DHAARN Cc1cccc(N[C@@H](C)C(=O)Nc2ccnn2C(C)C)c1C ZINC000023416035 182360124 /nfs/dbraw/zinc/36/01/24/182360124.db2.gz OUUNVOIDXJQECP-AWEZNQCLSA-N 0 0 300.406 3.520 50 0 DHAARN S=c1[nH]c(-c2ccccc2)cn1Cc1ccc2c(c1)OCO2 ZINC000023550046 182363044 /nfs/dbraw/zinc/36/30/44/182363044.db2.gz VVZWBEFKYCALQX-UHFFFAOYSA-N 0 0 310.378 3.990 50 0 DHAARN COc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c(O)c1 ZINC000023644035 182365298 /nfs/dbraw/zinc/36/52/98/182365298.db2.gz LYCDIRYMFOTKGQ-UHFFFAOYSA-N 0 0 321.376 3.826 50 0 DHAARN CS(=O)(=O)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000023634518 182365463 /nfs/dbraw/zinc/36/54/63/182365463.db2.gz YKDHVERNBOXPID-SFHVURJKSA-N 0 0 324.405 3.503 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CNc2cccc(F)c2)cc1C ZINC000024214207 182376416 /nfs/dbraw/zinc/37/64/16/182376416.db2.gz OLEDLRGDQSHBDT-CQSZACIVSA-N 0 0 300.377 3.732 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000024231684 182377336 /nfs/dbraw/zinc/37/73/36/182377336.db2.gz UIAVODIDGSEKLU-QGPMSJSTSA-N 0 0 314.429 3.734 50 0 DHAARN CC(C)c1cc(NC(=O)CN2CCC[C@@H]2c2cccs2)on1 ZINC000024232397 182377550 /nfs/dbraw/zinc/37/75/50/182377550.db2.gz BILIQGANQGMWFA-CYBMUJFWSA-N 0 0 319.430 3.635 50 0 DHAARN C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 ZINC000023805922 182369201 /nfs/dbraw/zinc/36/92/01/182369201.db2.gz FWOGMAKTQSNNFX-ZDUSSCGKSA-N 0 0 323.371 3.995 50 0 DHAARN CC[C@H](C)Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C ZINC000024013005 182372357 /nfs/dbraw/zinc/37/23/57/182372357.db2.gz CJUSROLDXWEYGV-NSHDSACASA-N 0 0 315.808 3.988 50 0 DHAARN O=C(NCc1ccc(Br)s1)Nc1ccccc1 ZINC000024744691 182389492 /nfs/dbraw/zinc/38/94/92/182389492.db2.gz NBCNLZOQXNEPQY-UHFFFAOYSA-N 0 0 311.204 3.832 50 0 DHAARN CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000024751451 182390189 /nfs/dbraw/zinc/39/01/89/182390189.db2.gz VEXFCMPKPXUBCG-SECBINFHSA-N 0 0 310.369 3.997 50 0 DHAARN Cc1c(C(=O)NC2CCCCCC2)cnn1-c1cccc(C)c1 ZINC000024833148 182392548 /nfs/dbraw/zinc/39/25/48/182392548.db2.gz FIFPIEUITIZWSJ-UHFFFAOYSA-N 0 0 311.429 3.942 50 0 DHAARN O=C(Nc1cccnc1)N(Cc1ccco1)Cc1cccs1 ZINC000024535756 182382725 /nfs/dbraw/zinc/38/27/25/182382725.db2.gz WOPXCNVETMAQRZ-UHFFFAOYSA-N 0 0 313.382 3.970 50 0 DHAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)N[C@H](C)c1ccncc1 ZINC000024541975 182383452 /nfs/dbraw/zinc/38/34/52/182383452.db2.gz MZUKBBMHMOPDNT-CYBMUJFWSA-N 0 0 307.397 3.600 50 0 DHAARN CSc1ncccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000024833583 182392333 /nfs/dbraw/zinc/39/23/33/182392333.db2.gz MQARUBSEKCRRSB-NXEZZACHSA-N 0 0 318.364 3.654 50 0 DHAARN CC(=O)Nc1nc(COc2cccc(Cl)c2Cl)cs1 ZINC000024696841 182388501 /nfs/dbraw/zinc/38/85/01/182388501.db2.gz NIXDGQZRYSQGMA-UHFFFAOYSA-N 0 0 317.197 3.987 50 0 DHAARN Cc1nn2c([nH]c(=NN3CCCCC3)c3ccccc32)c1Cl ZINC000025046647 182399514 /nfs/dbraw/zinc/39/95/14/182399514.db2.gz WTFAPAZTIYFZKS-UHFFFAOYSA-N 0 0 315.808 3.657 50 0 DHAARN O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)C1CCC1 ZINC000024840114 182393069 /nfs/dbraw/zinc/39/30/69/182393069.db2.gz USJSRMZXHIHIQU-UHFFFAOYSA-N 0 0 308.353 3.751 50 0 DHAARN Cc1ccc(Oc2ccccc2NC(=O)Cn2cccn2)cc1 ZINC000024941959 182395106 /nfs/dbraw/zinc/39/51/06/182395106.db2.gz HFIMHLKDGFLCLR-UHFFFAOYSA-N 0 0 307.353 3.623 50 0 DHAARN Cc1c(C(=O)N2CCC(C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000024926606 182395171 /nfs/dbraw/zinc/39/51/71/182395171.db2.gz IOPOYGINYYKEDF-UHFFFAOYSA-N 0 0 317.820 3.706 50 0 DHAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NC1CCCC1 ZINC000024980158 182396823 /nfs/dbraw/zinc/39/68/23/182396823.db2.gz WIMIVQMAZCLVBC-UHFFFAOYSA-N 0 0 317.458 3.596 50 0 DHAARN C[C@@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccncc1 ZINC000025380238 182411759 /nfs/dbraw/zinc/41/17/59/182411759.db2.gz LRSVZCSCFISLDF-CQSZACIVSA-N 0 0 319.364 3.760 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1F ZINC000026564638 182446180 /nfs/dbraw/zinc/44/61/80/182446180.db2.gz KKJZJZOPYWWVHU-UHFFFAOYSA-N 0 0 301.317 3.548 50 0 DHAARN COCCn1c(=S)[nH]cc1-c1ccc(Br)cc1 ZINC000026423102 182440986 /nfs/dbraw/zinc/44/09/86/182440986.db2.gz WULOCSKZKNCADA-UHFFFAOYSA-N 0 0 313.220 3.622 50 0 DHAARN Cc1ccc(SCCNC(=O)c2ccnc(Cl)c2)cc1C ZINC000027576207 182479516 /nfs/dbraw/zinc/47/95/16/182479516.db2.gz PMNOYQCMWBXAEY-UHFFFAOYSA-N 0 0 320.845 3.874 50 0 DHAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(C(C)C)s1 ZINC000027663492 182486411 /nfs/dbraw/zinc/48/64/11/182486411.db2.gz HCFUOLZVBPVUBP-LBPRGKRZSA-N 0 0 323.393 3.597 50 0 DHAARN Cc1nc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)cs1 ZINC000027865418 182494333 /nfs/dbraw/zinc/49/43/33/182494333.db2.gz ZKCSKMWPWCDLMD-HNNXBMFYSA-N 0 0 301.415 3.674 50 0 DHAARN C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1ccc(Cl)cc1Cl ZINC000028411555 182523374 /nfs/dbraw/zinc/52/33/74/182523374.db2.gz PNPFXGSDPLTGRD-NXEZZACHSA-N 0 0 312.200 3.628 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2cc3cc(C)ccc3[nH]2)c1 ZINC000029108399 182552309 /nfs/dbraw/zinc/55/23/09/182552309.db2.gz CIOJMVPZSCKNHS-UHFFFAOYSA-N 0 0 310.353 3.746 50 0 DHAARN O=C(OCc1cc2ccccc2nc1Cl)C1(O)CCCCC1 ZINC000029620236 182572410 /nfs/dbraw/zinc/57/24/10/182572410.db2.gz CTSOLVGBIDVEBQ-UHFFFAOYSA-N 0 0 319.788 3.627 50 0 DHAARN CC[C@@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)CCO1 ZINC000030856895 182600480 /nfs/dbraw/zinc/60/04/80/182600480.db2.gz RSLYAGOYJCZNSP-CQSZACIVSA-N 0 0 323.392 3.562 50 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DHAARN Cc1ccc(C(N)=O)c(-c2ccccc2OCc2ccccc2)n1 ZINC000032520288 182646290 /nfs/dbraw/zinc/64/62/90/182646290.db2.gz ZNSANDQBYWCHAL-UHFFFAOYSA-N 0 0 318.376 3.735 50 0 DHAARN Cc1nc(NC(=O)[C@@H](C)Nc2ccc(C)cc2F)sc1C ZINC000032579467 182648577 /nfs/dbraw/zinc/64/85/77/182648577.db2.gz LYCHMOCJOMBSMN-SNVBAGLBSA-N 0 0 307.394 3.647 50 0 DHAARN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1c1cccs1 ZINC000032204511 182637703 /nfs/dbraw/zinc/63/77/03/182637703.db2.gz MTHCJTTUNNPQQJ-OAHLLOKOSA-N 0 0 324.405 3.567 50 0 DHAARN O=C(NCc1cccs1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000032628427 182651697 /nfs/dbraw/zinc/65/16/97/182651697.db2.gz AMCPIESVHBXWKY-UHFFFAOYSA-N 0 0 315.423 3.526 50 0 DHAARN O=C(OC[C@H]1CCCO1)c1cc(-c2ccco2)nc2ccccc21 ZINC000032666409 182653921 /nfs/dbraw/zinc/65/39/21/182653921.db2.gz WZDHJNUZGVOXMU-CYBMUJFWSA-N 0 0 323.348 3.831 50 0 DHAARN CC(C)CNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000032794806 182664166 /nfs/dbraw/zinc/66/41/66/182664166.db2.gz KNAKEHHULLVPCL-OAHLLOKOSA-N 0 0 306.406 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DHAARN CC(C)c1cc([C@H]2CCCN2C(=O)NC2CCCCC2)no1 ZINC000035511320 182778846 /nfs/dbraw/zinc/77/88/46/182778846.db2.gz RUUDZFLLJOGBMQ-OAHLLOKOSA-N 0 0 305.422 3.977 50 0 DHAARN O=C(Nc1cccnc1)c1cc2occc2n1Cc1ccccc1 ZINC000036358479 182818339 /nfs/dbraw/zinc/81/83/39/182818339.db2.gz WQIFKTSSPOYUBX-UHFFFAOYSA-N 0 0 317.348 3.930 50 0 DHAARN O=C(c1cccc2cn[nH]c21)N(Cc1ccccc1F)C1CC1 ZINC000037164094 182870476 /nfs/dbraw/zinc/87/04/76/182870476.db2.gz MROXMPPTBVJNJC-UHFFFAOYSA-N 0 0 309.344 3.507 50 0 DHAARN CC(=O)c1ccc(-c2ncnc(Oc3cccc(F)c3)c2N)cc1 ZINC000101619657 193828884 /nfs/dbraw/zinc/82/88/84/193828884.db2.gz BSLOOUUTKYKMFH-UHFFFAOYSA-N 0 0 323.327 3.860 50 0 DHAARN CN(Cc1cccs1)C(=O)CSc1ccc(F)c(F)c1 ZINC000039979561 183026846 /nfs/dbraw/zinc/02/68/46/183026846.db2.gz GPVHORGUSMJWQD-UHFFFAOYSA-N 0 0 313.394 3.777 50 0 DHAARN CC(C)COCCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000039984344 183026865 /nfs/dbraw/zinc/02/68/65/183026865.db2.gz IFSCDCMHCRJMCK-UHFFFAOYSA-N 0 0 322.207 3.925 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)c1ccc2c(c1)CCC(=O)N2 ZINC000040012167 183027256 /nfs/dbraw/zinc/02/72/56/183027256.db2.gz WYZRWCWUYHDNHF-UHFFFAOYSA-N 0 0 320.392 3.702 50 0 DHAARN O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000040034748 183029324 /nfs/dbraw/zinc/02/93/24/183029324.db2.gz NYBZHMDIXBMSDM-PKOBYXMFSA-N 0 0 323.440 3.726 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000040049528 183029855 /nfs/dbraw/zinc/02/98/55/183029855.db2.gz NVXJNSIJVMBRGZ-SWLSCSKDSA-N 0 0 304.390 3.564 50 0 DHAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCCC1 ZINC000040051018 183029857 /nfs/dbraw/zinc/02/98/57/183029857.db2.gz BIQHLNOBSZWCCF-UHFFFAOYSA-N 0 0 301.308 3.734 50 0 DHAARN Cc1cc(Nc2nc(-c3cc(F)ccc3F)cs2)n(C)n1 ZINC000040051927 183030060 /nfs/dbraw/zinc/03/00/60/183030060.db2.gz KECGJCMXZDLJPN-UHFFFAOYSA-N 0 0 306.341 3.874 50 0 DHAARN CC(=O)N1N=C(c2cccc(Cl)c2)O[C@H]1c1ccc(F)cc1 ZINC000039930795 183023177 /nfs/dbraw/zinc/02/31/77/183023177.db2.gz MMTAUYJHFKIYNH-INIZCTEOSA-N 0 0 318.735 3.718 50 0 DHAARN CCOc1ccc(CN(CC)C(=O)[C@H]2CC=CCC2)cc1OC ZINC000039976001 183026140 /nfs/dbraw/zinc/02/61/40/183026140.db2.gz DHSHIJJBFPCBID-INIZCTEOSA-N 0 0 317.429 3.799 50 0 DHAARN CCN(CC)c1ccc(NC(=O)c2cn(C)c3ccccc23)cn1 ZINC000040146767 183040141 /nfs/dbraw/zinc/04/01/41/183040141.db2.gz XELLAAXHZHFVAR-UHFFFAOYSA-N 0 0 322.412 3.672 50 0 DHAARN Cc1sc2ncnc(SCCC(=O)NCC(C)C)c2c1C ZINC000040266681 183049370 /nfs/dbraw/zinc/04/93/70/183049370.db2.gz ITWVAGLTQDALRC-UHFFFAOYSA-N 0 0 323.487 3.563 50 0 DHAARN CC[C@H](C)Cn1c(CNC(=O)c2ccco2)nc2ccccc21 ZINC000040197118 183044645 /nfs/dbraw/zinc/04/46/45/183044645.db2.gz HWUAHGBTEDNETL-ZDUSSCGKSA-N 0 0 311.385 3.605 50 0 DHAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NC[C@H]1CCCO1 ZINC000040216658 183046542 /nfs/dbraw/zinc/04/65/42/183046542.db2.gz LEWMNLISQSDLGH-MRXNPFEDSA-N 0 0 322.412 3.604 50 0 DHAARN CN(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000040073354 183031530 /nfs/dbraw/zinc/03/15/30/183031530.db2.gz VFYVNAMFQBLSBJ-UHFFFAOYSA-N 0 0 310.184 3.707 50 0 DHAARN CC(C)NC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1 ZINC000040081750 183031869 /nfs/dbraw/zinc/03/18/69/183031869.db2.gz URCPPPWXCITBCW-UHFFFAOYSA-N 0 0 315.348 3.608 50 0 DHAARN Cc1ccc(CN(C)C(=O)c2cc(-c3ccccc3F)on2)o1 ZINC000040087365 183032557 /nfs/dbraw/zinc/03/25/57/183032557.db2.gz VVYMGFFMZPZEDP-UHFFFAOYSA-N 0 0 314.316 3.654 50 0 DHAARN COc1ccccc1C(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000040090322 183033480 /nfs/dbraw/zinc/03/34/80/183033480.db2.gz XAMZLKOYANDGRR-UHFFFAOYSA-N 0 0 321.380 3.750 50 0 DHAARN CCCCCN(Cc1ccc(F)cc1)C(=O)Nc1nncs1 ZINC000040095163 183033774 /nfs/dbraw/zinc/03/37/74/183033774.db2.gz UTVMIACWYKHHLK-UHFFFAOYSA-N 0 0 322.409 3.902 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCCSC2CCCC2)c1 ZINC000040097416 183034022 /nfs/dbraw/zinc/03/40/22/183034022.db2.gz BXIDCAUZHAMHEQ-UHFFFAOYSA-N 0 0 306.431 3.687 50 0 DHAARN CCc1nc(NC(=O)[C@H](C)Oc2ccc(C)cc2)sc1C ZINC000040118947 183037928 /nfs/dbraw/zinc/03/79/28/183037928.db2.gz LEJZXNZZVKQCRL-NSHDSACASA-N 0 0 304.415 3.728 50 0 DHAARN O=C(NCCc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000040122241 183038317 /nfs/dbraw/zinc/03/83/17/183038317.db2.gz RIYVIMSTGOWINQ-UHFFFAOYSA-N 0 0 315.335 3.824 50 0 DHAARN CC[C@@H](C)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000040122128 183038319 /nfs/dbraw/zinc/03/83/19/183038319.db2.gz YGBFOWIIFCRTKU-MRXNPFEDSA-N 0 0 311.425 3.970 50 0 DHAARN Cc1ccc(CNC(=O)CCOc2cccc(C)c2C)s1 ZINC000040122228 183038450 /nfs/dbraw/zinc/03/84/50/183038450.db2.gz BWBUZIQBJMMXTD-UHFFFAOYSA-N 0 0 303.427 3.759 50 0 DHAARN CC(C)c1nnc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000040144040 183039073 /nfs/dbraw/zinc/03/90/73/183039073.db2.gz JWSPTPFXSNVAEM-DTWKUNHWSA-N 0 0 321.368 3.969 50 0 DHAARN COc1ccccc1C(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 ZINC000040284415 183050680 /nfs/dbraw/zinc/05/06/80/183050680.db2.gz FPMMTOCSYSZXFI-UHFFFAOYSA-N 0 0 309.369 3.947 50 0 DHAARN Cn1ccc2c1cccc2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000040286864 183051008 /nfs/dbraw/zinc/05/10/08/183051008.db2.gz SAXPTGIENFEJLI-UHFFFAOYSA-N 0 0 304.271 3.848 50 0 DHAARN O=C1C[C@H](c2cccnc2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040287806 183052240 /nfs/dbraw/zinc/05/22/40/183052240.db2.gz QUFUEXHPMMBYQU-CQSZACIVSA-N 0 0 308.316 3.530 50 0 DHAARN Cc1[nH]nc(-c2ccsc2)c1NC(=O)c1c(F)cccc1F ZINC000040426692 183065432 /nfs/dbraw/zinc/06/54/32/183065432.db2.gz VLDWZYLWWRXHKD-UHFFFAOYSA-N 0 0 319.336 3.977 50 0 DHAARN O=C(NCc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)s1 ZINC000040437000 183067084 /nfs/dbraw/zinc/06/70/84/183067084.db2.gz CBYUESIJHXRYGR-UHFFFAOYSA-N 0 0 317.801 3.722 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478321 183076158 /nfs/dbraw/zinc/07/61/58/183076158.db2.gz JFJLFYJISHQAJL-UHFFFAOYSA-N 0 0 321.355 3.957 50 0 DHAARN Cc1ccc(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 ZINC000040478817 183076237 /nfs/dbraw/zinc/07/62/37/183076237.db2.gz GBGODMKSZPLGKK-UHFFFAOYSA-N 0 0 323.421 3.773 50 0 DHAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCc2sccc2C1 ZINC000040485199 183077600 /nfs/dbraw/zinc/07/76/00/183077600.db2.gz NBKULRTYCALXHN-JTQLQIEISA-N 0 0 317.439 3.979 50 0 DHAARN Cc1cc(=O)n2c3ccccc3n(Cc3ccccc3Cl)c2n1 ZINC000040484918 183078039 /nfs/dbraw/zinc/07/80/39/183078039.db2.gz NZNBOJNZNQLBEN-UHFFFAOYSA-N 0 0 323.783 3.659 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)cc1OC ZINC000040487956 183078248 /nfs/dbraw/zinc/07/82/48/183078248.db2.gz NERYXMVZVCBGIF-GDBMZVCRSA-N 0 0 315.413 3.724 50 0 DHAARN CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000040514048 183089007 /nfs/dbraw/zinc/08/90/07/183089007.db2.gz CGJCDKARJMSLNK-GFCCVEGCSA-N 0 0 319.430 3.551 50 0 DHAARN CN(Cc1ccncc1)C(=O)Nc1cccc(Br)c1 ZINC000040525298 183091892 /nfs/dbraw/zinc/09/18/92/183091892.db2.gz XMFKMCSFJAKPAR-UHFFFAOYSA-N 0 0 320.190 3.508 50 0 DHAARN CCCC(=O)N1CCC(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000040456034 183069131 /nfs/dbraw/zinc/06/91/31/183069131.db2.gz QYHRVJPSOVPVRC-UHFFFAOYSA-N 0 0 316.445 3.787 50 0 DHAARN CCc1ccc(C2=Nc3nnnn3[C@@H](c3ccccc3C)C2)cc1 ZINC000102047574 193856938 /nfs/dbraw/zinc/85/69/38/193856938.db2.gz OPTPBQOSTDXTFN-GOSISDBHSA-N 0 0 317.396 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/nfs/dbraw/zinc/17/03/02/184170302.db2.gz OVYCNDQWCINQOO-RTBURBONSA-N 0 0 311.425 3.930 50 0 DHAARN Cc1cc(N[C@H](C)c2cccc3ccccc32)n2ncnc2n1 ZINC000060551517 184151765 /nfs/dbraw/zinc/15/17/65/184151765.db2.gz YBCDZTQANKKANH-CYBMUJFWSA-N 0 0 303.369 3.759 50 0 DHAARN O=C(c1csnn1)N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000061530301 184172681 /nfs/dbraw/zinc/17/26/81/184172681.db2.gz GHIGAUZAKYDDOL-HNNXBMFYSA-N 0 0 323.421 3.539 50 0 DHAARN Cc1nn(C)c2c1[C@@H](c1cccc3cccnc31)SCC(=O)N2 ZINC000061720318 184185428 /nfs/dbraw/zinc/18/54/28/184185428.db2.gz XTPUMUCKGSHYNR-MRXNPFEDSA-N 0 0 324.409 3.701 50 0 DHAARN Cc1cccnc1NC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000061720426 184185519 /nfs/dbraw/zinc/18/55/19/184185519.db2.gz AOVUOFHXSYQKQX-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN O[C@H](Cc1ccccc1Cl)c1ccc(Br)o1 ZINC000062137306 184208392 /nfs/dbraw/zinc/20/83/92/184208392.db2.gz MQKOKWKYMCCCLW-SNVBAGLBSA-N 0 0 301.567 3.972 50 0 DHAARN Fc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1Br ZINC000064370247 184295125 /nfs/dbraw/zinc/29/51/25/184295125.db2.gz XVVQJQHYXUOBDH-UHFFFAOYSA-N 0 0 309.060 3.997 50 0 DHAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccccc1Cl ZINC000064472015 184297999 /nfs/dbraw/zinc/29/79/99/184297999.db2.gz SHUONDXXQNNYHE-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN Cc1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2)no1 ZINC000063470029 184282507 /nfs/dbraw/zinc/28/25/07/184282507.db2.gz YVIQMBGSJOZZRG-UHFFFAOYSA-N 0 0 313.401 3.658 50 0 DHAARN Cc1nc(C2(NCCOc3ccccc3)CCCCCC2)no1 ZINC000063512207 184284200 /nfs/dbraw/zinc/28/42/00/184284200.db2.gz SLEFHWTYPCEIDU-UHFFFAOYSA-N 0 0 315.417 3.596 50 0 DHAARN COc1cccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000064579987 184300683 /nfs/dbraw/zinc/30/06/83/184300683.db2.gz LSDSQOVMNAFBDG-SFHVURJKSA-N 0 0 313.372 3.741 50 0 DHAARN CCCCNc1cc(C(C)C)nc2nc(-c3cccnc3)nn21 ZINC000064790965 184303503 /nfs/dbraw/zinc/30/35/03/184303503.db2.gz JUMDJSIBYXFUMC-UHFFFAOYSA-N 0 0 310.405 3.522 50 0 DHAARN CCc1nc(-c2cccc(NC(=O)c3ccc(C)s3)c2)no1 ZINC000064844776 184304755 /nfs/dbraw/zinc/30/47/55/184304755.db2.gz TVSMANSRJZQSCB-UHFFFAOYSA-N 0 0 313.382 3.921 50 0 DHAARN CCCn1nnc2cc(-c3noc(-c4cccc(C)c4)n3)ccc21 ZINC000064979985 184307353 /nfs/dbraw/zinc/30/73/53/184307353.db2.gz YRAQQBYZOQBNPR-UHFFFAOYSA-N 0 0 319.368 3.867 50 0 DHAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1 ZINC000065114118 184310633 /nfs/dbraw/zinc/31/06/33/184310633.db2.gz YHWHYBFYMBLKSF-UHFFFAOYSA-N 0 0 307.353 3.777 50 0 DHAARN COc1ccc(-c2nc(-c3ccc4oc(C)nc4c3)no2)cc1 ZINC000065149606 184311747 /nfs/dbraw/zinc/31/17/47/184311747.db2.gz GMTMWBPDVFWKIV-UHFFFAOYSA-N 0 0 307.309 3.862 50 0 DHAARN Cn1nccc1-c1cccc(-c2noc(-c3ccsc3)n2)c1 ZINC000065137198 184311786 /nfs/dbraw/zinc/31/17/86/184311786.db2.gz DOQYLMABKMWSNI-UHFFFAOYSA-N 0 0 308.366 3.866 50 0 DHAARN O=C(Cc1ccc(F)cc1)NCc1cccnc1-c1ccccc1 ZINC000065171425 184313558 /nfs/dbraw/zinc/31/35/58/184313558.db2.gz PZWBCUSVNCYEQL-UHFFFAOYSA-N 0 0 320.367 3.747 50 0 DHAARN C[C@H](NC(=O)c1nc(-c2cccs2)cs1)c1ccncc1 ZINC000065199409 184314279 /nfs/dbraw/zinc/31/42/79/184314279.db2.gz DROBRSLBJVVFEX-JTQLQIEISA-N 0 0 315.423 3.758 50 0 DHAARN CCn1nc(CNC(=O)c2ccc(C)cc2C)c2ccccc21 ZINC000065219629 184314891 /nfs/dbraw/zinc/31/48/91/184314891.db2.gz ZMPFAMDNDKRGOO-UHFFFAOYSA-N 0 0 307.397 3.603 50 0 DHAARN Cc1ccc(C(=O)NCc2nn(C(C)C)c3ccccc23)cc1 ZINC000065219846 184314943 /nfs/dbraw/zinc/31/49/43/184314943.db2.gz OVQVLOZRIYJEPL-UHFFFAOYSA-N 0 0 307.397 3.856 50 0 DHAARN C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000064580930 184300965 /nfs/dbraw/zinc/30/09/65/184300965.db2.gz WEXVKYIIXSKIDQ-CYBMUJFWSA-N 0 0 309.344 3.502 50 0 DHAARN CC(C)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000064667702 184302172 /nfs/dbraw/zinc/30/21/72/184302172.db2.gz VPSIQWHZGUMNFH-UHFFFAOYSA-N 0 0 302.374 3.920 50 0 DHAARN COc1ccc(CNC(=O)c2ccnc(-c3ccsc3)c2)cc1 ZINC000064676057 184302261 /nfs/dbraw/zinc/30/22/61/184302261.db2.gz QIFUKMWQEHITKN-UHFFFAOYSA-N 0 0 324.405 3.749 50 0 DHAARN Cc1ccsc1C(=O)N1CCCn2cc(-c3ccccc3)nc21 ZINC000065259480 184319012 /nfs/dbraw/zinc/31/90/12/184319012.db2.gz ITADEDLAMHSZRL-UHFFFAOYSA-N 0 0 323.421 3.971 50 0 DHAARN c1cc(-c2nc(-c3ccncc3)no2)n(Cc2ccccc2)c1 ZINC000065288387 184323187 /nfs/dbraw/zinc/32/31/87/184323187.db2.gz MLMLJVMJEVXVLM-UHFFFAOYSA-N 0 0 302.337 3.648 50 0 DHAARN CCCOc1ccc(CNC(=O)c2nc(C(C)C)oc2C)cc1 ZINC000065293521 184323831 /nfs/dbraw/zinc/32/38/31/184323831.db2.gz NBQKFTURWIMOIF-UHFFFAOYSA-N 0 0 316.401 3.825 50 0 DHAARN COc1cc2nc(-c3ccccc3)c(NC3CCCC3)n2cn1 ZINC000065321075 184324847 /nfs/dbraw/zinc/32/48/47/184324847.db2.gz IGNMHLTZWPSFSY-UHFFFAOYSA-N 0 0 308.385 3.759 50 0 DHAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1C)CC(=O)N2 ZINC000065365560 184329335 /nfs/dbraw/zinc/32/93/35/184329335.db2.gz SXRYNZVVGXLTPI-QGZVFWFLSA-N 0 0 317.392 3.963 50 0 DHAARN Cc1cc(N[C@@H](C)c2ncccc2C)nc(-c2cccnc2)n1 ZINC000065410562 184339752 /nfs/dbraw/zinc/33/97/52/184339752.db2.gz GXKIFDCZRRBRCP-AWEZNQCLSA-N 0 0 305.385 3.724 50 0 DHAARN Cc1ncsc1CCC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000065420316 184341057 /nfs/dbraw/zinc/34/10/57/184341057.db2.gz AOZYRHVHOJFHQF-UHFFFAOYSA-N 0 0 323.487 3.623 50 0 DHAARN C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1cccs1 ZINC000065434087 184344339 /nfs/dbraw/zinc/34/43/39/184344339.db2.gz YLSKVBYGJXJZIR-OCCSQVGLSA-N 0 0 304.415 3.819 50 0 DHAARN CC(C)Oc1cccc(CC(=O)N2CCC[C@H]2c2ccc[nH]2)c1 ZINC000065459317 184348134 /nfs/dbraw/zinc/34/81/34/184348134.db2.gz NTJWDQAWEOTZKD-SFHVURJKSA-N 0 0 312.413 3.708 50 0 DHAARN COc1ccc([C@@H]2CC(=O)Nc3onc(C)c32)c2ccccc12 ZINC000065464697 184349401 /nfs/dbraw/zinc/34/94/01/184349401.db2.gz FCPKUSREEZUJFT-AWEZNQCLSA-N 0 0 308.337 3.619 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)N(CC(F)(F)F)C1CC1 ZINC000065476513 184352141 /nfs/dbraw/zinc/35/21/41/184352141.db2.gz QXHCVQVQBTZWSZ-UHFFFAOYSA-N 0 0 310.319 3.654 50 0 DHAARN CC(C)c1nc(C(=O)N(C)c2ccccc2)n(-c2ccccc2)n1 ZINC000065395191 184335335 /nfs/dbraw/zinc/33/53/35/184335335.db2.gz PVRQGLCNTGTGEE-UHFFFAOYSA-N 0 0 320.396 3.667 50 0 DHAARN Oc1ccc2ccccc2c1-c1nnc(Cc2ccccc2)[nH]1 ZINC000065397607 184336042 /nfs/dbraw/zinc/33/60/42/184336042.db2.gz AOIOFEDPRUDXAB-UHFFFAOYSA-N 0 0 301.349 3.921 50 0 DHAARN CN(Cc1cccn1-c1nccs1)Cc1cccnc1Cl ZINC000065398838 184336697 /nfs/dbraw/zinc/33/66/97/184336697.db2.gz PUTMVEILHKRTAV-UHFFFAOYSA-N 0 0 318.833 3.614 50 0 DHAARN O=C1C[C@@H](c2cccc3c4ccccc4oc32)c2c[nH]nc2N1 ZINC000065404410 184337771 /nfs/dbraw/zinc/33/77/71/184337771.db2.gz SINMBXKBGGHUPR-ZDUSSCGKSA-N 0 0 303.321 3.783 50 0 DHAARN CN(Cc1ccc2ccccc2n1)Cc1cccc2c1OCO2 ZINC000065405165 184338117 /nfs/dbraw/zinc/33/81/17/184338117.db2.gz BPPCFGKKXQFCFB-UHFFFAOYSA-N 0 0 306.365 3.596 50 0 DHAARN COc1ccc(CNC(=O)c2sccc2C2CC2)c(OC)c1 ZINC000065552416 184365082 /nfs/dbraw/zinc/36/50/82/184365082.db2.gz DSPYOXXSGGKOGM-UHFFFAOYSA-N 0 0 317.410 3.573 50 0 DHAARN CC[C@@H](C)[C@H](NC(=O)CC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000065590620 184369906 /nfs/dbraw/zinc/36/99/06/184369906.db2.gz RUOLLNNGVRSGNN-RNCFNFMXSA-N 0 0 313.323 3.719 50 0 DHAARN CSc1ccccc1NC(=O)N[C@H](C)c1c(C)nn(C)c1C ZINC000065607357 184372298 /nfs/dbraw/zinc/37/22/98/184372298.db2.gz MMTQZKUDIBJTBG-SNVBAGLBSA-N 0 0 318.446 3.642 50 0 DHAARN Cc1nc(C2(NC(=O)Nc3ccccc3Cl)CCCC2)no1 ZINC000065515399 184357960 /nfs/dbraw/zinc/35/79/60/184357960.db2.gz VUJXMFNGLPBRHB-UHFFFAOYSA-N 0 0 320.780 3.622 50 0 DHAARN Cc1ncsc1C(=O)Nc1ccccc1NCC(F)(F)F ZINC000066050477 184385059 /nfs/dbraw/zinc/38/50/59/184385059.db2.gz OGKLGXPVNSDTJS-UHFFFAOYSA-N 0 0 315.320 3.678 50 0 DHAARN CCO[C@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000065625881 184375241 /nfs/dbraw/zinc/37/52/41/184375241.db2.gz KBWAQPLYCHINJC-ZDUSSCGKSA-N 0 0 310.825 3.990 50 0 DHAARN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000065720000 184377359 /nfs/dbraw/zinc/37/73/59/184377359.db2.gz ZLTJMCMUYNXFLZ-ZDUSSCGKSA-N 0 0 303.789 3.846 50 0 DHAARN CCCNc1nc2c(-c3ccccc3)nnn2c2ccccc21 ZINC000067262167 184457479 /nfs/dbraw/zinc/45/74/79/184457479.db2.gz YXOIYJUHBCDLBR-UHFFFAOYSA-N 0 0 303.369 3.766 50 0 DHAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(C)c1C ZINC000069385011 184511448 /nfs/dbraw/zinc/51/14/48/184511448.db2.gz DDOMSKWMFNWAQH-SJLPKXTDSA-N 0 0 311.429 3.527 50 0 DHAARN CC(C)CCc1noc(C[S@](=O)c2cccc(Cl)c2)n1 ZINC000069508555 184521079 /nfs/dbraw/zinc/52/10/79/184521079.db2.gz OHWRKDWCBMFUNP-HXUWFJFHSA-N 0 0 312.822 3.619 50 0 DHAARN C[C@@H]1CSC(S[C@@H]2CCCN(c3ccccc3F)C2=O)=N1 ZINC000155563496 197067471 /nfs/dbraw/zinc/06/74/71/197067471.db2.gz ZRQVLLCSFPZSGK-ZWNOBZJWSA-N 0 0 324.446 3.546 50 0 DHAARN COC(=O)[C@@H](NCc1cccnc1C)c1ccc2ccccc2c1 ZINC000154675257 196984382 /nfs/dbraw/zinc/98/43/82/196984382.db2.gz HCKYPRIILHRBSX-IBGZPJMESA-N 0 0 320.392 3.547 50 0 DHAARN Cn1cc(Nc2cccc(C(=O)N(C3CC3)C3CCCC3)c2)cn1 ZINC000151522996 196692597 /nfs/dbraw/zinc/69/25/97/196692597.db2.gz CHXHHJKOVNMDSD-UHFFFAOYSA-N 0 0 324.428 3.711 50 0 DHAARN FC(F)(F)c1ccnc(NCc2cc(-c3ccccc3)no2)n1 ZINC000045802207 256535077 /nfs/dbraw/zinc/53/50/77/256535077.db2.gz TVGNENHLRCPQDJ-UHFFFAOYSA-N 0 0 320.274 3.763 50 0 DHAARN Cn1cc(/C=C/c2nc3ccccc3o2)c(-c2ccncc2)n1 ZINC000063276690 256541235 /nfs/dbraw/zinc/54/12/35/256541235.db2.gz GSDWNAJUPJPJJF-VOTSOKGWSA-N 0 0 302.337 3.794 50 0 DHAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000072436413 256546022 /nfs/dbraw/zinc/54/60/22/256546022.db2.gz MLTQZWDDSLTLRC-PVAVHDDUSA-N 0 0 322.408 3.902 50 0 DHAARN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1-c1ncc[nH]1 ZINC000089526257 256548446 /nfs/dbraw/zinc/54/84/46/256548446.db2.gz WLMIFBOWUNCFPI-NSHDSACASA-N 0 0 324.384 3.814 50 0 DHAARN Cc1cc(C(=O)CC2C(=O)CC(C)(C)CC2=O)ccc1Cl ZINC000100936075 256566869 /nfs/dbraw/zinc/56/68/69/256566869.db2.gz LEJHJEBFKCGCLA-UHFFFAOYSA-N 0 0 306.789 3.796 50 0 DHAARN O=C(c1ccco1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000110970479 256584966 /nfs/dbraw/zinc/58/49/66/256584966.db2.gz BTFCBHVMQHYVSR-UHFFFAOYSA-N 0 0 312.344 3.920 50 0 DHAARN CSc1cccc(N(C)C(=O)c2cnc3ccccc3n2)c1 ZINC000171047803 256590482 /nfs/dbraw/zinc/59/04/82/256590482.db2.gz ZQWVEDPBCGDPMB-UHFFFAOYSA-N 0 0 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534147827 /nfs/dbraw/zinc/14/78/27/534147827.db2.gz HHWBSAZZNWLOCS-CYBMUJFWSA-N 0 0 319.401 3.536 50 0 DHAARN CCOCCN(C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000093369638 517702497 /nfs/dbraw/zinc/70/24/97/517702497.db2.gz UIJRXYQRKMEZRD-AWEZNQCLSA-N 0 0 306.450 3.723 50 0 DHAARN CCCn1c(C)cc(C(=O)COc2ncnc3ccccc32)c1C ZINC000002642955 521621103 /nfs/dbraw/zinc/62/11/03/521621103.db2.gz OPLOBUMQODAYMS-UHFFFAOYSA-N 0 0 323.396 3.720 50 0 DHAARN CCSc1ccc(Cl)cc1NC(=O)N1CCCOCC1 ZINC000365145951 521747883 /nfs/dbraw/zinc/74/78/83/521747883.db2.gz JMPKUPKYHMANKR-UHFFFAOYSA-N 0 0 314.838 3.706 50 0 DHAARN COc1ccc(CCCC(=O)Nc2ncccc2Cl)cc1 ZINC000179877928 523930300 /nfs/dbraw/zinc/93/03/00/523930300.db2.gz GENJPPTUZKIKNN-UHFFFAOYSA-N 0 0 304.777 3.705 50 0 DHAARN COc1ccc(CNc2cnn(C3CCCC3)c2C)cc1O ZINC000195456587 524106076 /nfs/dbraw/zinc/10/60/76/524106076.db2.gz GNQYAVWBLZTKBP-UHFFFAOYSA-N 0 0 301.390 3.633 50 0 DHAARN CC(=O)c1ccc(NC(=O)CN2CCCc3cc(C)ccc32)cc1 ZINC000000119764 534859093 /nfs/dbraw/zinc/85/90/93/534859093.db2.gz YDHZFQFWVXGRDN-UHFFFAOYSA-N 0 0 322.408 3.589 50 0 DHAARN CN(Cc1c(F)cccc1Cl)C[C@@H](O)c1cccc(F)c1 ZINC000051119480 563653621 /nfs/dbraw/zinc/65/36/21/563653621.db2.gz LKFQBRNOWACZHR-MRXNPFEDSA-N 0 0 311.759 3.784 50 0 DHAARN Cc1cc(CSCC(=O)c2c(C)[nH]c3ccccc32)no1 ZINC000046835409 563678334 /nfs/dbraw/zinc/67/83/34/563678334.db2.gz AKHLTKPNNTWHMP-UHFFFAOYSA-N 0 0 300.383 3.889 50 0 DHAARN CCc1ccc(C(=O)Nc2ncc(C)cc2Br)o1 ZINC000095973913 563723450 /nfs/dbraw/zinc/72/34/50/563723450.db2.gz QYZRXBRUEMPDAT-UHFFFAOYSA-N 0 0 309.163 3.560 50 0 DHAARN C[C@H](NC(=O)C1C[C@H]2CC[C@@H](C1)C2=O)[C@@H](C)C1CCCCC1 ZINC000221932520 563724161 /nfs/dbraw/zinc/72/41/61/563724161.db2.gz CSCBDSZYSCKVBD-MVKWESTCSA-N 0 0 305.462 3.713 50 0 DHAARN CCCc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 ZINC000001903411 563796608 /nfs/dbraw/zinc/79/66/08/563796608.db2.gz HWLSJFFQCVCTCA-UHFFFAOYSA-N 0 0 319.430 3.597 50 0 DHAARN O=C(N/C=C/c1ccco1)OCc1ccc(Br)cc1 ZINC000001382465 563814289 /nfs/dbraw/zinc/81/42/89/563814289.db2.gz OPRWUACTFLPSTG-BQYQJAHWSA-N 0 0 322.158 3.939 50 0 DHAARN Cc1ncc(COC(=O)c2ncoc2-c2cccs2)s1 ZINC000078658624 563874390 /nfs/dbraw/zinc/87/43/90/563874390.db2.gz MNKCFWBYQJFNBV-UHFFFAOYSA-N 0 0 306.368 3.525 50 0 DHAARN CC[C@H](C)c1ccccc1NC(=O)CSc1ncccn1 ZINC000006913650 563899289 /nfs/dbraw/zinc/89/92/89/563899289.db2.gz NZYPZAIYTHASHR-LBPRGKRZSA-N 0 0 301.415 3.721 50 0 DHAARN Cc1cccc(NC(=O)Nc2ccccc2Br)n1 ZINC000013745969 563909848 /nfs/dbraw/zinc/90/98/48/563909848.db2.gz INWQUFCFXNKUEK-UHFFFAOYSA-N 0 0 306.163 3.797 50 0 DHAARN O=C(NCc1ccccc1F)Nc1ccccc1Br ZINC000013745382 563909889 /nfs/dbraw/zinc/90/98/89/563909889.db2.gz ARUSYYQOKMFQHJ-UHFFFAOYSA-N 0 0 323.165 3.910 50 0 DHAARN Cc1ccc(C)n1-c1sccc1C(=O)Nc1nccs1 ZINC000007787188 563919223 /nfs/dbraw/zinc/91/92/23/563919223.db2.gz FSCYSKVQJFLURT-UHFFFAOYSA-N 0 0 303.412 3.864 50 0 DHAARN O=C(Nc1ccc(CCO)cc1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000089787514 563911359 /nfs/dbraw/zinc/91/13/59/563911359.db2.gz CGUALFYHKKBPFU-KBPBESRZSA-N 0 0 315.335 3.529 50 0 DHAARN CC(C)[C@@H](O)CCNC(=O)c1ccc(C2CCCCC2)cc1 ZINC000076022762 563911594 /nfs/dbraw/zinc/91/15/94/563911594.db2.gz DMZLEVMQQWDAFD-SFHVURJKSA-N 0 0 303.446 3.871 50 0 DHAARN CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(C)c(C)o1 ZINC000095961161 563932591 /nfs/dbraw/zinc/93/25/91/563932591.db2.gz RAEPBLQCNFYILE-CABZTGNLSA-N 0 0 322.434 3.578 50 0 DHAARN Cc1nnc(CN(C(=O)c2cccc(Cl)c2C)C(C)(C)C)o1 ZINC000225598890 563938144 /nfs/dbraw/zinc/93/81/44/563938144.db2.gz FJDYCJZTAGJTPI-UHFFFAOYSA-N 0 0 321.808 3.781 50 0 DHAARN C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000003247250 563943173 /nfs/dbraw/zinc/94/31/73/563943173.db2.gz USTMUFJIZKQLPD-NSHDSACASA-N 0 0 309.793 3.791 50 0 DHAARN Cc1csc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 ZINC000008706002 563950047 /nfs/dbraw/zinc/95/00/47/563950047.db2.gz JAJIGGBOSLXCIQ-ZDUSSCGKSA-N 0 0 322.430 3.703 50 0 DHAARN Ic1ccc(-c2cn3ccccc3n2)cc1 ZINC000000281357 563235900 /nfs/dbraw/zinc/23/59/00/563235900.db2.gz BVUIIVQPNYNNGD-UHFFFAOYSA-N 0 0 320.133 3.606 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000000299606 563237997 /nfs/dbraw/zinc/23/79/97/563237997.db2.gz GIZCLGGNGCMOMS-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN CC[C@@H](C)c1ccc(OCc2nnc(NC(C)=O)s2)cc1 ZINC000000447932 563255594 /nfs/dbraw/zinc/25/55/94/563255594.db2.gz LIZUTYVIEBEFKY-SNVBAGLBSA-N 0 0 305.403 3.589 50 0 DHAARN O=C(NC(=S)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000000451317 563256178 /nfs/dbraw/zinc/25/61/78/563256178.db2.gz LCEYPGBGZPDJJG-UHFFFAOYSA-N 0 0 308.765 3.606 50 0 DHAARN CC1(C)C[C@H](C(=O)Nc2ccc(Br)cc2)CCO1 ZINC000000468303 563260172 /nfs/dbraw/zinc/26/01/72/563260172.db2.gz ADSZPNMSCCQTBA-SNVBAGLBSA-N 0 0 312.207 3.593 50 0 DHAARN CCOC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000001397394 563282225 /nfs/dbraw/zinc/28/22/25/563282225.db2.gz SOVSOKVXELFLFV-UHFFFAOYSA-N 0 0 318.682 3.721 50 0 DHAARN CCCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C)C2 ZINC000002082346 563299487 /nfs/dbraw/zinc/29/94/87/563299487.db2.gz OANODSZPJZZMAX-SNVBAGLBSA-N 0 0 321.442 3.788 50 0 DHAARN CCCSc1nnc2c(n1)OC(C)(C)Nc1ccccc1-2 ZINC000002472883 563303433 /nfs/dbraw/zinc/30/34/33/563303433.db2.gz AURMSZORSNTLKN-UHFFFAOYSA-N 0 0 302.403 3.581 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)C1CC1 ZINC000071909582 563332885 /nfs/dbraw/zinc/33/28/85/563332885.db2.gz DQJTWPMDLIJDDX-IPQOISQHSA-N 0 0 322.474 3.654 50 0 DHAARN CC(=O)Nc1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000013523273 563382796 /nfs/dbraw/zinc/38/27/96/563382796.db2.gz PIIIYWMTJNBKOB-UHFFFAOYSA-N 0 0 303.362 3.593 50 0 DHAARN CC(C)c1nnc(S[C@@H](C)C(=O)c2cccc(Cl)c2)[nH]1 ZINC000014094209 563395453 /nfs/dbraw/zinc/39/54/53/563395453.db2.gz ZLXMTKAAKYBFOQ-VIFPVBQESA-N 0 0 309.822 3.945 50 0 DHAARN CC(C)(C)c1nc(CSc2ncnc3ccsc32)no1 ZINC000028015556 563430791 /nfs/dbraw/zinc/43/07/91/563430791.db2.gz YUQZWZKBIAAEFD-UHFFFAOYSA-N 0 0 306.416 3.664 50 0 DHAARN Cc1cc(C)cc(N[C@@H](C)C(=O)NCCc2cccs2)c1 ZINC000070817542 563436830 /nfs/dbraw/zinc/43/68/30/563436830.db2.gz KGEBWLXXBCJMIS-AWEZNQCLSA-N 0 0 302.443 3.524 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000055672343 563487240 /nfs/dbraw/zinc/48/72/40/563487240.db2.gz CEJXCMPSQXFUTB-MRVPVSSYSA-N 0 0 312.291 3.801 50 0 DHAARN CSc1cccc(CN(C(=O)c2cccn2C)C(C)C)c1 ZINC000067654958 563488726 /nfs/dbraw/zinc/48/87/26/563488726.db2.gz UPMMOIXNQBZBLG-UHFFFAOYSA-N 0 0 302.443 3.798 50 0 DHAARN O=C(c1cccnc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000029168 563211117 /nfs/dbraw/zinc/21/11/17/563211117.db2.gz LYOLGSZLKNUACY-UHFFFAOYSA-N 0 0 302.377 3.924 50 0 DHAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000029614 563211123 /nfs/dbraw/zinc/21/11/23/563211123.db2.gz WBQSYLFMRKBNCM-NSHDSACASA-N 0 0 322.257 3.947 50 0 DHAARN COc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000000030566 563211209 /nfs/dbraw/zinc/21/12/09/563211209.db2.gz JQNSOCZUGNAXDT-UHFFFAOYSA-N 0 0 320.186 3.639 50 0 biogenic DHAARN CCOC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000000031707 563211262 /nfs/dbraw/zinc/21/12/62/563211262.db2.gz OFLVPRXRNRVCFR-UHFFFAOYSA-N 0 0 317.772 3.698 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)C1C(C)(C)C1(C)C ZINC000000046853 563211841 /nfs/dbraw/zinc/21/18/41/563211841.db2.gz WHJWNSIJOMJGNI-UHFFFAOYSA-N 0 0 309.431 3.772 50 0 DHAARN CCNc1nnc(CSc2nc3ccccc3s2)s1 ZINC000000052107 563211961 /nfs/dbraw/zinc/21/19/61/563211961.db2.gz NEIZIZSQAOYZSR-UHFFFAOYSA-N 0 0 308.457 3.872 50 0 DHAARN CC(C)N1C[C@H](COc2ccc(Cl)cc2Cl)OC1=O ZINC000000074113 563213449 /nfs/dbraw/zinc/21/34/49/563213449.db2.gz HVIUHXWNUMOMNG-SNVBAGLBSA-N 0 0 304.173 3.601 50 0 DHAARN COc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 ZINC000000070639 563213456 /nfs/dbraw/zinc/21/34/56/563213456.db2.gz OHBZXBNHGAAVHG-DHDCSXOGSA-N 0 0 313.740 3.693 50 0 DHAARN Cc1ccc(-c2nn(CN3CCC(C)CC3)c(=S)o2)cc1 ZINC000000078066 563213928 /nfs/dbraw/zinc/21/39/28/563213928.db2.gz AMELLVLSMFTSJA-UHFFFAOYSA-N 0 0 303.431 3.870 50 0 DHAARN O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3 ZINC000000085514 563214590 /nfs/dbraw/zinc/21/45/90/563214590.db2.gz VSSSHNJONFTXHS-UHFFFAOYSA-N 0 0 309.287 3.511 50 0 in-vitro DHAARN CSc1cccc(-n2c(SC)nc3ccccc3c2=O)c1 ZINC000000098224 563216479 /nfs/dbraw/zinc/21/64/79/563216479.db2.gz JLIJMOJJOJJARB-UHFFFAOYSA-N 0 0 314.435 3.830 50 0 DHAARN Cc1ccc(N)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000000100025 563216950 /nfs/dbraw/zinc/21/69/50/563216950.db2.gz IUGHSRUVYPXSLW-UHFFFAOYSA-N 0 0 305.175 3.592 50 0 DHAARN COC(=O)c1c(N)scc1-c1ccc(Br)cc1 ZINC000000105289 563218081 /nfs/dbraw/zinc/21/80/81/563218081.db2.gz FTCYGPXJXBDSIU-UHFFFAOYSA-N 0 0 312.188 3.546 50 0 DHAARN O=S(=O)(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000000110675 563218933 /nfs/dbraw/zinc/21/89/33/563218933.db2.gz YXRXTJPIYSVXOI-UHFFFAOYSA-N 0 0 302.729 3.592 50 0 DHAARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000114584 563219422 /nfs/dbraw/zinc/21/94/22/563219422.db2.gz SHAULVJXJIVKPR-UHFFFAOYSA-N 0 0 301.342 3.867 50 0 DHAARN CCc1ccccc1NC(=O)c1cncc(Br)c1 ZINC000000121099 563219725 /nfs/dbraw/zinc/21/97/25/563219725.db2.gz FEYWWPKIZCCJCO-UHFFFAOYSA-N 0 0 305.175 3.659 50 0 DHAARN CCOC(=O)c1cc(-c2csc(Nc3ccccc3)n2)on1 ZINC000000123691 563220666 /nfs/dbraw/zinc/22/06/66/563220666.db2.gz AIIHNYVDESWDFB-UHFFFAOYSA-N 0 0 315.354 3.718 50 0 DHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000000155296 563225110 /nfs/dbraw/zinc/22/51/10/563225110.db2.gz BFGHGFVWGCHZQR-UHFFFAOYSA-N 0 0 303.427 3.793 50 0 DHAARN O=C(Nc1ccc2nonc2c1)Nc1cccc(C(F)(F)F)c1 ZINC000000171097 563226863 /nfs/dbraw/zinc/22/68/63/563226863.db2.gz CNHQACZJTANFKQ-UHFFFAOYSA-N 0 0 322.246 3.886 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)N1CCO[C@H]1c1cccs1 ZINC000000172288 563227322 /nfs/dbraw/zinc/22/73/22/563227322.db2.gz FYASOHMZOMYOEU-ZDUSSCGKSA-N 0 0 308.790 3.964 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)CSCc1ccco1 ZINC000000172943 563227587 /nfs/dbraw/zinc/22/75/87/563227587.db2.gz SOLNIFZCQVUMBC-UHFFFAOYSA-N 0 0 311.790 3.814 50 0 DHAARN CCc1cc2c(cc1OC)occ(-c1ccc3c(c1)OCO3)c2=O ZINC000000178209 563227840 /nfs/dbraw/zinc/22/78/40/563227840.db2.gz MYSKFIHVBLAXQI-UHFFFAOYSA-N 0 0 324.332 3.760 50 0 biogenic DHAARN Brc1ccccc1-c1nnc(-c2ccncc2)o1 ZINC000000177545 563228001 /nfs/dbraw/zinc/22/80/01/563228001.db2.gz FVJVDTRIKYOZTE-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000000173612 563228036 /nfs/dbraw/zinc/22/80/36/563228036.db2.gz MSPPZBOZZQOKGN-UHFFFAOYSA-N 0 0 302.761 3.941 50 0 DHAARN COc1cccc(C(=O)Nc2ccccc2C(=O)OC(C)C)c1 ZINC000000191433 563229746 /nfs/dbraw/zinc/22/97/46/563229746.db2.gz OMMDITYPJMJTSZ-UHFFFAOYSA-N 0 0 313.353 3.513 50 0 biogenic DHAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000000200751 563230174 /nfs/dbraw/zinc/23/01/74/563230174.db2.gz KAHOSAYSNBETEF-AWEZNQCLSA-N 0 0 307.397 3.856 50 0 DHAARN Fc1ccc([C@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000000222110 563231378 /nfs/dbraw/zinc/23/13/78/563231378.db2.gz YAFAWIGJHODIJD-CVEARBPZSA-N 0 0 312.323 3.703 50 0 DHAARN CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000000243163 563232840 /nfs/dbraw/zinc/23/28/40/563232840.db2.gz VQFZBWDEAGLVRL-UHFFFAOYSA-N 0 0 318.170 3.639 50 0 DHAARN Cc1ccc2c(c1)c1c(n2C[C@@H]2COC(C)(C)O2)C(=O)CCC1 ZINC000000241776 563232889 /nfs/dbraw/zinc/23/28/89/563232889.db2.gz NKNDIVVMNHNKRM-CYBMUJFWSA-N 0 0 313.397 3.620 50 0 DHAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)cc1 ZINC000000242826 563232988 /nfs/dbraw/zinc/23/29/88/563232988.db2.gz QVNBCTFNKHPFHY-MRXNPFEDSA-N 0 0 324.424 3.737 50 0 DHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(C)ccc2C)c1C ZINC000000253730 563234195 /nfs/dbraw/zinc/23/41/95/563234195.db2.gz DFJVWLKZDINZTR-UHFFFAOYSA-N 0 0 314.385 3.677 50 0 DHAARN COc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000000270118 563234737 /nfs/dbraw/zinc/23/47/37/563234737.db2.gz ZLFGJXVUPJHOSQ-UHFFFAOYSA-N 0 0 319.426 3.695 50 0 DHAARN O=S(=O)(c1ccccc1)c1ccccc1[C@H](O)c1ccccc1 ZINC000000293598 563237323 /nfs/dbraw/zinc/23/73/23/563237323.db2.gz VKAZBZPXDKFVLT-LJQANCHMSA-N 0 0 324.401 3.601 50 0 DHAARN CC[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1cc(C)on1 ZINC000000302977 563237846 /nfs/dbraw/zinc/23/78/46/563237846.db2.gz SCLAWRTYVLMELF-GFCCVEGCSA-N 0 0 317.370 3.634 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Cl ZINC000000307143 563238318 /nfs/dbraw/zinc/23/83/18/563238318.db2.gz FZLMLMANFLMMAL-UHFFFAOYSA-N 0 0 303.745 3.804 50 0 DHAARN S=C(NCCc1ccccc1)NCc1ccc(Cl)cc1 ZINC000000306621 563238602 /nfs/dbraw/zinc/23/86/02/563238602.db2.gz LNYSPZUCGRUXEM-UHFFFAOYSA-N 0 0 304.846 3.547 50 0 DHAARN CC[C@@H]1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1 ZINC000000314962 563240386 /nfs/dbraw/zinc/24/03/86/563240386.db2.gz VUWJOKDWHHFRHY-CYBMUJFWSA-N 0 0 310.850 3.619 50 0 DHAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCOCC1 ZINC000000318055 563240719 /nfs/dbraw/zinc/24/07/19/563240719.db2.gz UDFQVEJRCGYIPA-UHFFFAOYSA-N 0 0 316.209 3.681 50 0 DHAARN O=C(NCCc1ccc(F)cc1)c1cccc(Br)c1 ZINC000000318757 563240866 /nfs/dbraw/zinc/24/08/66/563240866.db2.gz SNYPQKOSBYQVRR-UHFFFAOYSA-N 0 0 322.177 3.561 50 0 biogenic DHAARN CCOC(=O)c1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 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Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000007720209 563341247 /nfs/dbraw/zinc/34/12/47/563341247.db2.gz ZFXNTVWQCFBMPD-UHFFFAOYSA-N 0 0 321.380 3.626 50 0 DHAARN COc1ccc(C)nc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000097378654 563341295 /nfs/dbraw/zinc/34/12/95/563341295.db2.gz OYLBZLXHZULRMN-GFCCVEGCSA-N 0 0 317.414 3.829 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(F)c1 ZINC000002754430 563341301 /nfs/dbraw/zinc/34/13/01/563341301.db2.gz QNLOKWVDEGBCNX-UHFFFAOYSA-N 0 0 323.371 3.558 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)o1 ZINC000071916146 563344191 /nfs/dbraw/zinc/34/41/91/563344191.db2.gz IBYYDXCBTMSXRX-ZDUSSCGKSA-N 0 0 318.348 3.570 50 0 DHAARN Cc1ccccc1N1C[C@H](C(=O)Nc2c(C)cccc2C)CC1=O ZINC000008216905 563345101 /nfs/dbraw/zinc/34/51/01/563345101.db2.gz JPXZXJRUYVOLGB-MRXNPFEDSA-N 0 0 322.408 3.603 50 0 DHAARN CCCc1nnc2sc(COc3cccc4ccccc43)nn12 ZINC000008392284 563346705 /nfs/dbraw/zinc/34/67/05/563346705.db2.gz UIGBCRXNJUYVDG-UHFFFAOYSA-N 0 0 324.409 3.871 50 0 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Cc1cccc(N(C)c2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)c1 ZINC000009224767 563353056 /nfs/dbraw/zinc/35/30/56/563353056.db2.gz NQVBPEFEPCBLSG-UHFFFAOYSA-N 0 0 319.404 3.951 50 0 DHAARN COCc1nn2c(nc(C)cc2C)c1-c1ccc(Cl)cc1 ZINC000009261034 563353183 /nfs/dbraw/zinc/35/31/83/563353183.db2.gz XIZIVCXKCCKXEX-UHFFFAOYSA-N 0 0 301.777 3.813 50 0 DHAARN COc1cccc(OC)c1C(=O)Nc1cccc2nc(C)ccc21 ZINC000009667791 563353771 /nfs/dbraw/zinc/35/37/71/563353771.db2.gz XRPLXWYRZAOOEV-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN COc1ccc2[nH]cc(CCNC(=O)Nc3cccc(C)c3)c2c1 ZINC000009875944 563354470 /nfs/dbraw/zinc/35/44/70/563354470.db2.gz ZKUPGOOLYQJILK-UHFFFAOYSA-N 0 0 323.396 3.849 50 0 DHAARN CCOCCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000009818783 563354580 /nfs/dbraw/zinc/35/45/80/563354580.db2.gz HIUOGQPMDRRHAR-OAHLLOKOSA-N 0 0 313.397 3.593 50 0 DHAARN CSc1cccc(NC(=O)c2sc3ncccc3c2N)c1 ZINC000010010497 563355220 /nfs/dbraw/zinc/35/52/20/563355220.db2.gz DYVOWAISIHKDSO-UHFFFAOYSA-N 0 0 315.423 3.853 50 0 DHAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000010296483 563356207 /nfs/dbraw/zinc/35/62/07/563356207.db2.gz GIGWWDIHSRSLBZ-KRWDZBQOSA-N 0 0 315.344 3.636 50 0 DHAARN CCc1cccc(C)c1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000010405042 563356647 /nfs/dbraw/zinc/35/66/47/563356647.db2.gz ULXVROMWVZNCBL-UHFFFAOYSA-N 0 0 311.381 3.857 50 0 DHAARN CCCSc1nc(=O)c2sc3c(c2[nH]1)CO[C@@](C)(CC)C3 ZINC000011328250 563358153 /nfs/dbraw/zinc/35/81/53/563358153.db2.gz OPHLVKGFJCPXCT-HNNXBMFYSA-N 0 0 324.471 3.728 50 0 DHAARN CCCCc1nnc2sc(-c3ccccc3OCC)nn12 ZINC000011278011 563358182 /nfs/dbraw/zinc/35/81/82/563358182.db2.gz KVTSAXAHIGYIIT-UHFFFAOYSA-N 0 0 302.403 3.594 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1ccc(-n2nncc2C)cc1 ZINC000011690385 563358793 /nfs/dbraw/zinc/35/87/93/563358793.db2.gz KSFLNMRKQLCGPT-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN COCCN(C)C(=O)C[C@@H](c1ccccc1)c1ccccc1C ZINC000011816270 563359350 /nfs/dbraw/zinc/35/93/50/563359350.db2.gz QHFGRKFYKWAUQW-IBGZPJMESA-N 0 0 311.425 3.622 50 0 DHAARN CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011819728 563360001 /nfs/dbraw/zinc/36/00/01/563360001.db2.gz VXEFFLBXYJCHLD-UHFFFAOYSA-N 0 0 323.444 3.542 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000011847363 563360040 /nfs/dbraw/zinc/36/00/40/563360040.db2.gz UCCZEJKEPKONPP-CAYVGHNUSA-N 0 0 311.425 3.750 50 0 biogenic DHAARN O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccccc1 ZINC000011848534 563360081 /nfs/dbraw/zinc/36/00/81/563360081.db2.gz ZSSLJXUNDUZGRR-KRWDZBQOSA-N 0 0 302.329 3.800 50 0 DHAARN CC(C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000012138238 563362435 /nfs/dbraw/zinc/36/24/35/563362435.db2.gz DDWAMWKSWFPJEE-UHFFFAOYSA-N 0 0 316.788 3.731 50 0 DHAARN O=C(CCc1cccnc1)N1CCC[C@H](CCc2ccccc2)C1 ZINC000012198695 563363888 /nfs/dbraw/zinc/36/38/88/563363888.db2.gz DYTNYPZJRJDDBL-HXUWFJFHSA-N 0 0 322.452 3.886 50 0 DHAARN CC[C@H](C)C(=O)NC[C@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 ZINC000012247846 563365363 /nfs/dbraw/zinc/36/53/63/563365363.db2.gz ZXZRTIGWPMMUJW-GOEBONIOSA-N 0 0 324.424 3.523 50 0 DHAARN Cn1ccnc1CN1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000012316420 563366306 /nfs/dbraw/zinc/36/63/06/563366306.db2.gz PNCFMTSEOFNUSK-AWEZNQCLSA-N 0 0 319.399 3.543 50 0 DHAARN O=C(Nc1cccc(CCc2ccncc2)c1)c1ccccn1 ZINC000012360595 563366849 /nfs/dbraw/zinc/36/68/49/563366849.db2.gz JRVWGVJDXURITA-UHFFFAOYSA-N 0 0 303.365 3.514 50 0 DHAARN COc1cc(CNC(=O)c2ccccc2F)ccc1OC(C)C ZINC000012382786 563367877 /nfs/dbraw/zinc/36/78/77/563367877.db2.gz XANZKTFYDIJUHY-UHFFFAOYSA-N 0 0 317.360 3.552 50 0 DHAARN Cn1ncc2c1ncnc2Nc1cccc(Nc2ccccc2)c1 ZINC000012636410 563372619 /nfs/dbraw/zinc/37/26/19/563372619.db2.gz ROKMJEJJTKOKBG-UHFFFAOYSA-N 0 0 316.368 3.851 50 0 DHAARN CCC(=O)[C@@H]1CCCN(Cc2nc(-c3cccs3)oc2C)C1 ZINC000012753954 563373506 /nfs/dbraw/zinc/37/35/06/563373506.db2.gz RYCWXSYFEHHOSF-CYBMUJFWSA-N 0 0 318.442 3.903 50 0 DHAARN C[C@@H]1CCCC[C@H]1N=C1NN=C(c2ccc(F)c(F)c2)CS1 ZINC000012797617 563373734 /nfs/dbraw/zinc/37/37/34/563373734.db2.gz 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/nfs/dbraw/zinc/62/55/67/563625567.db2.gz CQJLREVXQVSCCB-UHFFFAOYSA-N 0 0 322.773 3.888 50 0 DHAARN COc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003124572 563625588 /nfs/dbraw/zinc/62/55/88/563625588.db2.gz UCFXOHXMTFXUIM-UHFFFAOYSA-N 0 0 315.213 3.765 50 0 DHAARN Cc1ccc(OCC(=O)Nc2nccs2)c(C(C)(C)C)c1 ZINC000002591256 563626841 /nfs/dbraw/zinc/62/68/41/563626841.db2.gz HVFLJXPHVMJMDY-UHFFFAOYSA-N 0 0 304.415 3.767 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)N1CCc2ccccc2C1 ZINC000000476167 563627326 /nfs/dbraw/zinc/62/73/26/563627326.db2.gz FIIHJBUYOLOEKR-UHFFFAOYSA-N 0 0 315.800 3.612 50 0 DHAARN CCOC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000000237413 563628151 /nfs/dbraw/zinc/62/81/51/563628151.db2.gz XAUOBKKPUIQVDC-GFCCVEGCSA-N 0 0 316.228 3.769 50 0 DHAARN CCOc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000000045501 563628161 /nfs/dbraw/zinc/62/81/61/563628161.db2.gz DNJOVPJGEXWXKB-UHFFFAOYSA-N 0 0 312.394 3.937 50 0 DHAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(F)cc1 ZINC000000227447 563628282 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/nfs/dbraw/zinc/64/77/79/563647779.db2.gz BZQMMPSCSXEMBL-UHFFFAOYSA-N 0 0 316.067 3.923 50 0 DHAARN CN(Cc1c(F)cccc1Cl)C[C@H](O)c1cccc(F)c1 ZINC000051119475 563653634 /nfs/dbraw/zinc/65/36/34/563653634.db2.gz LKFQBRNOWACZHR-INIZCTEOSA-N 0 0 311.759 3.784 50 0 DHAARN CSc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccco1)=N2 ZINC000101416061 563656061 /nfs/dbraw/zinc/65/60/61/563656061.db2.gz BMRJIXBSXCECMN-CYBMUJFWSA-N 0 0 310.382 3.649 50 0 DHAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=Nc3nnnn32)cc1 ZINC000102047931 563658357 /nfs/dbraw/zinc/65/83/57/563658357.db2.gz NJRBXUROYKFGPE-SFHVURJKSA-N 0 0 317.396 3.654 50 0 DHAARN CNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(C)cc1 ZINC000102200656 563658624 /nfs/dbraw/zinc/65/86/24/563658624.db2.gz ZKIWETMOKPRUNY-UHFFFAOYSA-N 0 0 323.352 3.787 50 0 DHAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccccc2)C1 ZINC000102740924 563661890 /nfs/dbraw/zinc/66/18/90/563661890.db2.gz QKRDDCPLNCZFCN-CQSZACIVSA-N 0 0 310.357 3.941 50 0 DHAARN Cc1csc(C2=C(N)N(CCCc3ccccc3)CC2=O)n1 ZINC000102717351 563661946 /nfs/dbraw/zinc/66/19/46/563661946.db2.gz OSONSVNPJQXPHB-UHFFFAOYSA-N 0 0 313.426 3.646 50 0 DHAARN CC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@@H]2[C@@H]1c1ccco1 ZINC000000530176 563665210 /nfs/dbraw/zinc/66/52/10/563665210.db2.gz GUESWBIUECWPCJ-CSMYWGQOSA-N 0 0 301.317 3.604 50 0 DHAARN O=C(Nc1ncnc2sc3c(c21)CCCCC3)c1ccco1 ZINC000000534075 563666753 /nfs/dbraw/zinc/66/67/53/563666753.db2.gz YJPPZSPGXZPSLO-UHFFFAOYSA-N 0 0 313.382 3.806 50 0 aggregator DHAARN COc1ccccc1CNc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000000549519 563669974 /nfs/dbraw/zinc/66/99/74/563669974.db2.gz HDGIAKCMURNKTM-UHFFFAOYSA-N 0 0 322.343 3.871 50 0 DHAARN CC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000000559533 563670566 /nfs/dbraw/zinc/67/05/66/563670566.db2.gz WSPDDGYHFCSCQI-UHFFFAOYSA-N 0 0 311.362 3.709 50 0 DHAARN Cc1nc(-c2ccc(Cl)c(Cl)c2)c(N)c(N2CCCC2)n1 ZINC000096282098 563672395 /nfs/dbraw/zinc/67/23/95/563672395.db2.gz IFOYJIVJMNOGKE-UHFFFAOYSA-N 0 0 323.227 3.941 50 0 DHAARN C[C@@H](NC(=O)CN1c2ccccc2CC[C@H]1C)c1cccs1 ZINC000104275594 563672883 /nfs/dbraw/zinc/67/28/83/563672883.db2.gz FXLOZPSAWBTUOI-ZIAGYGMSSA-N 0 0 314.454 3.767 50 0 DHAARN O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1F ZINC000014789606 563673225 /nfs/dbraw/zinc/67/32/25/563673225.db2.gz QBPIIVVOSRGYSU-UHFFFAOYSA-N 0 0 323.367 3.920 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000046743203 563674137 /nfs/dbraw/zinc/67/41/37/563674137.db2.gz AVVMIMVQHKWBMI-CYBMUJFWSA-N 0 0 316.426 3.829 50 0 DHAARN O=S(=O)(Nc1c(F)cccc1F)c1ccc2ccccc2c1 ZINC000000582021 563676069 /nfs/dbraw/zinc/67/60/69/563676069.db2.gz NAGLAMGBNUGTPO-UHFFFAOYSA-N 0 0 319.332 3.919 50 0 DHAARN Cc1noc(C)c1C(=O)NCc1ccccc1OC1CCCC1 ZINC000046782575 563677476 /nfs/dbraw/zinc/67/74/76/563677476.db2.gz RMLIZOWVCYRAOU-UHFFFAOYSA-N 0 0 314.385 3.543 50 0 DHAARN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@H]1C[C@H]1c1cccnc1 ZINC000110606634 563679122 /nfs/dbraw/zinc/67/91/22/563679122.db2.gz ZJGXJLGGMVELQN-BTHPGYMESA-N 0 0 320.436 3.713 50 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3.786 50 0 DHAARN CCCN(CC1CC1)C(=O)c1ccc(OC)c(OC(F)F)c1 ZINC000047862002 563692410 /nfs/dbraw/zinc/69/24/10/563692410.db2.gz OPRMQRNVSMDHGU-UHFFFAOYSA-N 0 0 313.344 3.559 50 0 DHAARN Cc1ccc(CNC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000048064241 563693239 /nfs/dbraw/zinc/69/32/39/563693239.db2.gz PENJOMHVSLYCFR-UHFFFAOYSA-N 0 0 323.400 3.642 50 0 DHAARN CN(Cc1ccccc1)C(=O)Nc1ccccc1-n1cccn1 ZINC000048152219 563693468 /nfs/dbraw/zinc/69/34/68/563693468.db2.gz VJWYPOHZOGXBST-UHFFFAOYSA-N 0 0 306.369 3.536 50 0 DHAARN CCN(CC)c1ccc(NC(=O)N2CCc3ccccc3C2)cn1 ZINC000048174098 563693614 /nfs/dbraw/zinc/69/36/14/563693614.db2.gz QMYFCTBHGARPKQ-UHFFFAOYSA-N 0 0 324.428 3.518 50 0 DHAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(F)c(F)c1 ZINC000048264381 563693954 /nfs/dbraw/zinc/69/39/54/563693954.db2.gz PXVUXNAPXPDQJA-NHYWBVRUSA-N 0 0 312.360 3.682 50 0 DHAARN Cc1csc(NC(=O)c2cc(Cl)cc3cccnc32)n1 ZINC000048231106 563694371 /nfs/dbraw/zinc/69/43/71/563694371.db2.gz QHBUOXKCRSQMIZ-UHFFFAOYSA-N 0 0 303.774 3.905 50 0 DHAARN O=C(CN1CCc2ccccc21)Nc1cccc2c1CCCC2 ZINC000048290667 563694710 /nfs/dbraw/zinc/69/47/10/563694710.db2.gz BGWPAFMMIHIADQ-UHFFFAOYSA-N 0 0 306.409 3.567 50 0 DHAARN CCOc1ccccc1C(=O)N1CCC(Nc2ccccc2)CC1 ZINC000048292138 563694715 /nfs/dbraw/zinc/69/47/15/563694715.db2.gz GVXONBBBSKUUJL-UHFFFAOYSA-N 0 0 324.424 3.802 50 0 DHAARN O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1nccs1 ZINC000048326490 563696479 /nfs/dbraw/zinc/69/64/79/563696479.db2.gz ULCLQLKQHBQHHA-UHFFFAOYSA-N 0 0 319.283 3.623 50 0 DHAARN C[C@H](OCC1CC1)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000048343208 563697096 /nfs/dbraw/zinc/69/70/96/563697096.db2.gz WURIHNTUZRJTKF-ZDUSSCGKSA-N 0 0 303.402 3.762 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccsc2)cc1OC ZINC000048343235 563697135 /nfs/dbraw/zinc/69/71/35/563697135.db2.gz DVZRPLCQZCSHTO-AWEZNQCLSA-N 0 0 317.410 3.743 50 0 DHAARN C[C@H](Sc1nc[nH]n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000048356162 563697426 /nfs/dbraw/zinc/69/74/26/563697426.db2.gz OJRMUYPHKJXUJL-LBPRGKRZSA-N 0 0 324.409 3.910 50 0 DHAARN Cc1ccc(C(=O)NCc2cccc(COC(C)C)c2)s1 ZINC000048361782 563697448 /nfs/dbraw/zinc/69/74/48/563697448.db2.gz GVQIXLMKZXPLTC-UHFFFAOYSA-N 0 0 303.427 3.912 50 0 DHAARN CCc1sc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1C ZINC000048374587 563698286 /nfs/dbraw/zinc/69/82/86/563698286.db2.gz FWPIWXDVNWEIHY-UHFFFAOYSA-N 0 0 313.378 3.978 50 0 DHAARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000044582916 563698540 /nfs/dbraw/zinc/69/85/40/563698540.db2.gz CHNXZKVNWQUJIB-VXAANUECSA-N 0 0 312.453 3.883 50 0 biogenic DHAARN CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000048784919 563700077 /nfs/dbraw/zinc/70/00/77/563700077.db2.gz HIFFUOBPWZCSSW-UHFFFAOYSA-N 0 0 303.431 3.568 50 0 DHAARN CCC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000048927582 563700346 /nfs/dbraw/zinc/70/03/46/563700346.db2.gz WIFOCECMIXWOBY-UHFFFAOYSA-N 0 0 316.228 3.568 50 0 DHAARN CC(C)OCc1c2ccccc2oc1C(=O)N1CCSCC1 ZINC000049209008 563700764 /nfs/dbraw/zinc/70/07/64/563700764.db2.gz IFXAEBQVMUCYSN-UHFFFAOYSA-N 0 0 319.426 3.547 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O=C(CCCn1cccn1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000051469197 563703676 /nfs/dbraw/zinc/70/36/76/563703676.db2.gz UWXLIOMYOWGXII-INIZCTEOSA-N 0 0 317.820 3.680 50 0 DHAARN Cc1noc(COC(=O)c2ccccc2N(C)c2ccccc2)n1 ZINC000051515936 563704277 /nfs/dbraw/zinc/70/42/77/563704277.db2.gz NGMGYRWNTWMOEL-UHFFFAOYSA-N 0 0 323.352 3.503 50 0 DHAARN COc1cc(OC)c(CN2CCC(F)(F)CC2)cc1Cl ZINC000215291260 563704792 /nfs/dbraw/zinc/70/47/92/563704792.db2.gz UIECIBYJVOQVJW-UHFFFAOYSA-N 0 0 305.752 3.588 50 0 DHAARN O=C(Cc1noc2ccccc21)N1CCCC[C@@H]1c1ccccn1 ZINC000215520311 563706340 /nfs/dbraw/zinc/70/63/40/563706340.db2.gz BARLRGCJKYXLSH-QGZVFWFLSA-N 0 0 321.380 3.519 50 0 DHAARN Cn1cc(Cl)c(C(=O)NC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000215514101 563706570 /nfs/dbraw/zinc/70/65/70/563706570.db2.gz CNVFUCXZEPEJDQ-UHFFFAOYSA-N 0 0 324.211 3.536 50 0 DHAARN Cc1cc(C)n(-c2cccc(CN(C)[C@@H](C)c3ccon3)c2)n1 ZINC000216134927 563707964 /nfs/dbraw/zinc/70/79/64/563707964.db2.gz BRHSOEGOBWXTTB-HNNXBMFYSA-N 0 0 310.401 3.670 50 0 DHAARN CCc1c2ccccc2[nH]c1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000216229837 563708445 /nfs/dbraw/zinc/70/84/45/563708445.db2.gz PIDFLWGZCHBGDT-AZQPONJRSA-N 0 0 308.425 3.848 50 0 DHAARN C[C@H](O)CC(C)(C)CNC(=O)c1cc(Cl)ccc1Cl ZINC000095962439 563708815 /nfs/dbraw/zinc/70/88/15/563708815.db2.gz XCXAIXKIOHZOAT-VIFPVBQESA-N 0 0 304.217 3.520 50 0 DHAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(F)cc(F)c1 ZINC000006978446 563710305 /nfs/dbraw/zinc/71/03/05/563710305.db2.gz MONOEKBZDOJLFR-SFHVURJKSA-N 0 0 324.330 3.879 50 0 DHAARN Cc1cc2c(nc1C)sc1c2ncnc1NCc1cccnc1 ZINC000012322027 563713040 /nfs/dbraw/zinc/71/30/40/563713040.db2.gz YRASPIVMTWQFCI-UHFFFAOYSA-N 0 0 321.409 3.863 50 0 DHAARN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2C(C)C)c1 ZINC000000787268 563716048 /nfs/dbraw/zinc/71/60/48/563716048.db2.gz PLWIRRGNHDOSSH-MRXNPFEDSA-N 0 0 324.424 3.908 50 0 DHAARN Cc1cccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000007889929 563717327 /nfs/dbraw/zinc/71/73/27/563717327.db2.gz KIYDEEMHYDTHTO-AWEZNQCLSA-N 0 0 309.365 3.997 50 0 DHAARN CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1ccsc1 ZINC000007926872 563718222 /nfs/dbraw/zinc/71/82/22/563718222.db2.gz YAEFVPOBJCSXEN-UHFFFAOYSA-N 0 0 312.797 3.611 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccsc1 ZINC000007926856 563718506 /nfs/dbraw/zinc/71/85/06/563718506.db2.gz OVVQERKACCKOIE-UHFFFAOYSA-N 0 0 308.834 3.780 50 0 DHAARN CC(=O)Nc1ccccc1OCc1cc(-c2ccccc2)on1 ZINC000008006603 563718523 /nfs/dbraw/zinc/71/85/23/563718523.db2.gz XVQNIHHKWRJTEA-UHFFFAOYSA-N 0 0 308.337 3.879 50 0 DHAARN CCOC[C@@H]1CCN(C(=O)Nc2nc([C@H](C)CC)cs2)C1 ZINC000081637641 563718602 /nfs/dbraw/zinc/71/86/02/563718602.db2.gz SRIMHSOEBQIWAI-VXGBXAGGSA-N 0 0 311.451 3.547 50 0 DHAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)NCc1cccs1 ZINC000390828885 563718849 /nfs/dbraw/zinc/71/88/49/563718849.db2.gz CBTBIVSHBIQVJG-LBPRGKRZSA-N 0 0 314.410 3.925 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccn1 ZINC000008129403 563719325 /nfs/dbraw/zinc/71/93/25/563719325.db2.gz NIAPVDWNTBGFTM-LBPRGKRZSA-N 0 0 307.353 3.536 50 0 DHAARN CO[C@H](C)c1nc(Cc2nc(-c3cccc(C)c3)no2)cs1 ZINC000390833210 563720349 /nfs/dbraw/zinc/72/03/49/563720349.db2.gz DPOGOYLRLISGCF-LLVKDONJSA-N 0 0 315.398 3.800 50 0 DHAARN CSc1cccc(C(=O)NCc2ccc(-c3ccoc3)nc2)c1 ZINC000390832523 563720773 /nfs/dbraw/zinc/72/07/73/563720773.db2.gz ZXMRHDVOVWLHMR-UHFFFAOYSA-N 0 0 324.405 3.994 50 0 DHAARN O=C(Cc1csc(-c2cccs2)n1)NC1CCCCC1 ZINC000008315936 563720957 /nfs/dbraw/zinc/72/09/57/563720957.db2.gz DHKJGKBRCHXSEC-UHFFFAOYSA-N 0 0 306.456 3.863 50 0 DHAARN CC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ncccc1C ZINC000219649460 563721366 /nfs/dbraw/zinc/72/13/66/563721366.db2.gz NKEORQMJMSQWBB-CQSZACIVSA-N 0 0 318.804 3.559 50 0 DHAARN Cc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)cc1 ZINC000032754834 563723116 /nfs/dbraw/zinc/72/31/16/563723116.db2.gz LUMGYUYHIXCOTB-KRWDZBQOSA-N 0 0 305.381 3.849 50 0 DHAARN O=S(=O)(Nc1ccccc1Cl)c1cccc2cccnc21 ZINC000000423536 563723914 /nfs/dbraw/zinc/72/39/14/563723914.db2.gz HIMFAQJUFCQFKA-UHFFFAOYSA-N 0 0 318.785 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QITIVJMUFOTKGP-QGZVFWFLSA-N 0 0 314.772 3.743 50 0 DHAARN CC(C)c1ccc(NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000242389235 563778382 /nfs/dbraw/zinc/77/83/82/563778382.db2.gz ZVIYJHQOQVXPNK-KGLIPLIRSA-N 0 0 320.408 3.839 50 0 DHAARN CCCn1ncc(CN2CCc3ccc(OC)cc3[C@H]2C)c1C ZINC000244601828 563779210 /nfs/dbraw/zinc/77/92/10/563779210.db2.gz DSHPQFINEIFQKY-OAHLLOKOSA-N 0 0 313.445 3.729 50 0 DHAARN Cc1nc(CC(=O)N(C)[C@H](C)c2nc(C)sc2C)c(C)s1 ZINC000244605551 563779275 /nfs/dbraw/zinc/77/92/75/563779275.db2.gz FASNDSUZHBVIOI-MRVPVSSYSA-N 0 0 323.487 3.595 50 0 DHAARN Cc1nnsc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000244742089 563779352 /nfs/dbraw/zinc/77/93/52/563779352.db2.gz OBTVXIIWQABYNZ-GFCCVEGCSA-N 0 0 316.455 3.793 50 0 DHAARN CSCc1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1 ZINC000244899976 563779919 /nfs/dbraw/zinc/77/99/19/563779919.db2.gz ZTSYHEGFLXLKOM-HNNXBMFYSA-N 0 0 312.438 3.540 50 0 DHAARN O=C(NCCC[C@@H]1CCOC1)c1cc(Cl)cc(Cl)c1 ZINC000244884288 563780045 /nfs/dbraw/zinc/78/00/45/563780045.db2.gz YJBVQSILBLZARD-SNVBAGLBSA-N 0 0 302.201 3.540 50 0 DHAARN O=C(C=Cc1c[nH]c2ccccc12)OCC(=O)c1ccc(F)cc1 ZINC000000986903 563785728 /nfs/dbraw/zinc/78/57/28/563785728.db2.gz CUVZCMSEFFKXJZ-JXMROGBWSA-N 0 0 323.323 3.746 50 0 DHAARN Cc1[nH]c2ccccc2c1[C@@H]1C(c2ccccc2)=NN=CN1O ZINC000000978244 563785976 /nfs/dbraw/zinc/78/59/76/563785976.db2.gz GZYJTHRSQOOFEH-GOSISDBHSA-N 0 0 304.353 3.655 50 0 DHAARN CC(=O)Nc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000000968582 563785999 /nfs/dbraw/zinc/78/59/99/563785999.db2.gz MLXTVQWCKUUIJB-NYYWCZLTSA-N 0 0 315.756 3.917 50 0 DHAARN CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(F)c1 ZINC000052267697 563786406 /nfs/dbraw/zinc/78/64/06/563786406.db2.gz UQOUQMJBHGONDC-GFCCVEGCSA-N 0 0 317.364 3.891 50 0 DHAARN Cc1nn(C)cc1CN(C)C(=O)Nc1cccc2ccccc21 ZINC000001002606 563786675 /nfs/dbraw/zinc/78/66/75/563786675.db2.gz LDZXLWIOIVZRMP-UHFFFAOYSA-N 0 0 308.385 3.546 50 0 DHAARN COc1cc(F)ccc1NC(=O)CCCOc1ccccc1 ZINC000025309612 563787324 /nfs/dbraw/zinc/78/73/24/563787324.db2.gz ULEVPZNGIXNFJV-UHFFFAOYSA-N 0 0 303.333 3.632 50 0 DHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)s1 ZINC000001021601 563787379 /nfs/dbraw/zinc/78/73/79/563787379.db2.gz JGQRWDYDPVJYRF-RKDXNWHRSA-N 0 0 302.237 3.914 50 0 DHAARN COc1ccc2sc(NC(=O)/C=C/c3ccccc3)nc2c1 ZINC000001011288 563787426 /nfs/dbraw/zinc/78/74/26/563787426.db2.gz VMLMYKOPPHWWRO-JXMROGBWSA-N 0 0 310.378 3.957 50 0 DHAARN Cn1cc(Nc2ncnc3sc(-c4ccccc4)cc32)cn1 ZINC000052487399 563788020 /nfs/dbraw/zinc/78/80/20/563788020.db2.gz BUDRTGVNICNWCT-UHFFFAOYSA-N 0 0 307.382 3.835 50 0 DHAARN CCOCc1ccccc1NC(=O)NCCc1ccc(F)cc1 ZINC000052468860 563788443 /nfs/dbraw/zinc/78/84/43/563788443.db2.gz MXJDMGPDGGWCTN-UHFFFAOYSA-N 0 0 316.376 3.726 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)noc1C ZINC000052567651 563789165 /nfs/dbraw/zinc/78/91/65/563789165.db2.gz BCQRMPOTIRXAID-HNNXBMFYSA-N 0 0 318.442 3.822 50 0 DHAARN C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000172883028 563795551 /nfs/dbraw/zinc/79/55/51/563795551.db2.gz RKCYTUMQORJKNP-NXEZZACHSA-N 0 0 323.241 3.506 50 0 DHAARN CC(C)c1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1 ZINC000031654543 563796287 /nfs/dbraw/zinc/79/62/87/563796287.db2.gz PQOYIPBORXHXOQ-UHFFFAOYSA-N 0 0 319.817 3.678 50 0 DHAARN CCOc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000012527606 563798440 /nfs/dbraw/zinc/79/84/40/563798440.db2.gz GTWPVBBDMDGFAU-LLVKDONJSA-N 0 0 319.792 3.573 50 0 DHAARN Brc1cccc(Cn2ccnc2-c2cccnc2)c1 ZINC000082739388 563798509 /nfs/dbraw/zinc/79/85/09/563798509.db2.gz RXNNDPSMIADIIO-UHFFFAOYSA-N 0 0 314.186 3.756 50 0 DHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000012538626 563798925 /nfs/dbraw/zinc/79/89/25/563798925.db2.gz YDXKHFMUCKANQF-UHFFFAOYSA-N 0 0 321.258 3.714 50 0 DHAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000012538962 563799314 /nfs/dbraw/zinc/79/93/14/563799314.db2.gz OHXLHRHSIDBXGN-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN c1ccc2c(c1)nc(-c1cccnc1)nc2NCc1ccncc1 ZINC000012557980 563800913 /nfs/dbraw/zinc/80/09/13/563800913.db2.gz LRHVZTFXJHZHLQ-UHFFFAOYSA-N 0 0 313.364 3.699 50 0 DHAARN O=C(Nc1nc2ccccc2s1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012559414 563801286 /nfs/dbraw/zinc/80/12/86/563801286.db2.gz ZEBPWCNWAZTAKT-FOSCPWQOSA-N 0 0 314.410 3.630 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)SCc2cccc(F)c2F)no1 ZINC000012569147 563801982 /nfs/dbraw/zinc/80/19/82/563801982.db2.gz BCINIQBAQFSYEB-SECBINFHSA-N 0 0 312.341 3.522 50 0 DHAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)C)cc1 ZINC000012600204 563802802 /nfs/dbraw/zinc/80/28/02/563802802.db2.gz PQBJBZOSCNISFK-UHFFFAOYSA-N 0 0 322.408 3.864 50 0 DHAARN O=C(NCc1ccccc1)c1occc1COc1ccccc1 ZINC000012617734 563803465 /nfs/dbraw/zinc/80/34/65/563803465.db2.gz XEDIENCHGNNXJD-UHFFFAOYSA-N 0 0 307.349 3.789 50 0 DHAARN CCn1nnc2cc(C(=O)Nc3cccc4c3CCCC4)ccc21 ZINC000015302506 563803596 /nfs/dbraw/zinc/80/35/96/563803596.db2.gz CLASBFKWUHBYJD-UHFFFAOYSA-N 0 0 320.396 3.582 50 0 DHAARN CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)s3)cnc21 ZINC000012615212 563803681 /nfs/dbraw/zinc/80/36/81/563803681.db2.gz XWJZZXKXZXBURK-UHFFFAOYSA-N 0 0 320.805 3.979 50 0 DHAARN CCOc1ccccc1C1=N/C(=C\c2ccccc2F)C(=O)O1 ZINC000012619491 563804519 /nfs/dbraw/zinc/80/45/19/563804519.db2.gz STYFSKCYKNAZET-PTNGSMBKSA-N 0 0 311.312 3.569 50 0 DHAARN CCCOc1ccccc1C(=O)NCCCc1nc(C)cs1 ZINC000299765787 563805556 /nfs/dbraw/zinc/80/55/56/563805556.db2.gz BANXQUMASFVTRX-UHFFFAOYSA-N 0 0 318.442 3.603 50 0 DHAARN CCCc1n[nH]cc1C(=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000299780491 563805635 /nfs/dbraw/zinc/80/56/35/563805635.db2.gz NUVSCOBDRHGSBC-GFCCVEGCSA-N 0 0 317.820 3.645 50 0 DHAARN CCN(CCn1cccn1)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000299779360 563805867 /nfs/dbraw/zinc/80/58/67/563805867.db2.gz RCDPKYFVQAJOIT-UHFFFAOYSA-N 0 0 320.824 3.707 50 0 DHAARN CCc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)cs1 ZINC000299791761 563806260 /nfs/dbraw/zinc/80/62/60/563806260.db2.gz FTHVWNFYIFGXRC-NSHDSACASA-N 0 0 318.446 3.508 50 0 DHAARN CSCc1ccc(C(=O)N[C@@H](C)c2nc(C)sc2C)o1 ZINC000299787979 563806634 /nfs/dbraw/zinc/80/66/34/563806634.db2.gz VCXKKIFXQNXMSG-QMMMGPOBSA-N 0 0 310.444 3.707 50 0 DHAARN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263582986 563807309 /nfs/dbraw/zinc/80/73/09/563807309.db2.gz ZHURRPHUOSXBDU-CXAGYDPISA-N 0 0 313.372 3.902 50 0 DHAARN C[C@]12CC=C3C4=C(CC[C@@H]3[C@@H]1CCC2=O)CC1(CC4)OCCO1 ZINC000004026275 563807535 /nfs/dbraw/zinc/80/75/35/563807535.db2.gz XUOQKQRMICQUQC-LNLFQRSKSA-N 0 0 314.425 3.936 50 0 biogenic DHAARN CCCCNC(=O)[C@H](C)[N@H+](C)Cc1csc2ccccc12 ZINC000052806125 563807983 /nfs/dbraw/zinc/80/79/83/563807983.db2.gz RGRMVRDKVUJZKI-ZDUSSCGKSA-N 0 0 304.459 3.638 50 0 DHAARN CCc1nnc(CNc2cc(Cl)c(Cl)cc2OC)o1 ZINC000190441965 563809366 /nfs/dbraw/zinc/80/93/66/563809366.db2.gz NDUVNIGNTLPWCO-UHFFFAOYSA-N 0 0 302.161 3.560 50 0 DHAARN Cc1cc(C)n(-c2nc(C)cc(Nc3ccc(Cl)cc3)n2)n1 ZINC000001270239 563809950 /nfs/dbraw/zinc/80/99/50/563809950.db2.gz QDPHGNZXTLUNFC-UHFFFAOYSA-N 0 0 313.792 3.985 50 0 DHAARN Fc1ccc([C@H]2C[C@@H](C(F)(F)Cl)n3nccc3N2)cc1 ZINC000002766620 563809995 /nfs/dbraw/zinc/80/99/95/563809995.db2.gz NRRGYTCDQCVTCU-MNOVXSKESA-N 0 0 301.699 3.952 50 0 DHAARN CCn1c2ccccc2nc1[C@H](C)NCc1ccc(Cl)nc1 ZINC000083470731 563811441 /nfs/dbraw/zinc/81/14/41/563811441.db2.gz ICSHVAZQPXSWKV-LBPRGKRZSA-N 0 0 314.820 3.955 50 0 DHAARN COc1cccc([C@H](C)Sc2ccccc2S(C)(=O)=O)c1 ZINC000083597134 563812045 /nfs/dbraw/zinc/81/20/45/563812045.db2.gz QPBUOHHWRLPYMP-LBPRGKRZSA-N 0 0 322.451 3.952 50 0 DHAARN O=C(c1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000001358639 563812333 /nfs/dbraw/zinc/81/23/33/563812333.db2.gz AVKVCWUQTHJJDW-UHFFFAOYSA-N 0 0 323.371 3.722 50 0 DHAARN Fc1cccc(F)c1CSc1nncn1-c1ccccc1 ZINC000032155719 563812464 /nfs/dbraw/zinc/81/24/64/563812464.db2.gz WRLNRCQAFKQGLD-UHFFFAOYSA-N 0 0 303.337 3.838 50 0 DHAARN O=C(Nc1ccccc1O)c1cc(Br)ccc1F ZINC000012729256 563813653 /nfs/dbraw/zinc/81/36/53/563813653.db2.gz BBWRUBIASODXAE-UHFFFAOYSA-N 0 0 310.122 3.546 50 0 DHAARN CC(C)(C)NC(=O)CCc1ncc(C(F)(F)F)cc1Cl ZINC000001383339 563814305 /nfs/dbraw/zinc/81/43/05/563814305.db2.gz GIJCRDCGWWDNMG-UHFFFAOYSA-N 0 0 308.731 3.601 50 0 DHAARN CSc1nc(N2CCC(C)CC2)cc(N2CCC(C)CC2)n1 ZINC000012730401 563815278 /nfs/dbraw/zinc/81/52/78/563815278.db2.gz NGINLNTXHQRXHX-UHFFFAOYSA-N 0 0 320.506 3.671 50 0 DHAARN O=C(Nc1ccccc1)O[C@@H](CN1CCCCC1)C(F)(F)F ZINC000001392969 563817596 /nfs/dbraw/zinc/81/75/96/563817596.db2.gz HNMYTUWOMJSUKU-ZDUSSCGKSA-N 0 0 316.323 3.652 50 0 DHAARN CCOC(=O)[C@@H](C)Sc1ncc(-c2cccc(Cl)c2)cn1 ZINC000001397671 563818079 /nfs/dbraw/zinc/81/80/79/563818079.db2.gz DSHQBGBKAJRFHI-SNVBAGLBSA-N 0 0 322.817 3.841 50 0 DHAARN Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)[nH]n1 ZINC000084110290 563823150 /nfs/dbraw/zinc/82/31/50/563823150.db2.gz OCYOORRAIZEWIV-AEFFLSMTSA-N 0 0 323.440 3.544 50 0 DHAARN COc1ccc(C(=O)[C@@H](C)Sc2ccc(Cl)nn2)cc1 ZINC000084139396 563823982 /nfs/dbraw/zinc/82/39/82/563823982.db2.gz NOKBRCVEZYFCBL-SECBINFHSA-N 0 0 308.790 3.502 50 0 DHAARN Cc1cnc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)cn1 ZINC000084258518 563825466 /nfs/dbraw/zinc/82/54/66/563825466.db2.gz AOCUZBWBXJXTNC-UHFFFAOYSA-N 0 0 317.805 3.516 50 0 DHAARN Cc1nc2cc(NC(=O)NC3CC3)ccc2n1-c1ccccc1 ZINC000084287095 563825877 /nfs/dbraw/zinc/82/58/77/563825877.db2.gz OQFPNBJDSPONAS-UHFFFAOYSA-N 0 0 306.369 3.618 50 0 DHAARN O=C(NCc1ccc2c(c1)CCC2)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000084372159 563826520 /nfs/dbraw/zinc/82/65/20/563826520.db2.gz SIJMNEZUZFNHBQ-OALUTQOASA-N 0 0 309.384 3.734 50 0 DHAARN O=C(Nc1cccc(-c2nnco2)c1)c1ccc(Cl)cc1F ZINC000084374461 563826530 /nfs/dbraw/zinc/82/65/30/563826530.db2.gz GSPCJYXHCXIOHJ-UHFFFAOYSA-N 0 0 317.707 3.781 50 0 DHAARN CC(=[NH+][N-]c1cc(-c2ccccc2)nc(C)n1)c1cccc(N)c1 ZINC000004947025 563827504 /nfs/dbraw/zinc/82/75/04/563827504.db2.gz OBKMUEPVFRNXAL-YDZHTSKRSA-N 0 0 317.396 3.870 50 0 DHAARN O=C(NCc1csc(-c2ccco2)n1)[C@H]1CCc2ccccc21 ZINC000084581854 563828143 /nfs/dbraw/zinc/82/81/43/563828143.db2.gz HLWZOTUTDMPBEN-HNNXBMFYSA-N 0 0 324.405 3.749 50 0 DHAARN O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@@H]1c1ccncc1 ZINC000084615109 563828233 /nfs/dbraw/zinc/82/82/33/563828233.db2.gz TVYUPJFAINYETC-XQPWLTOXSA-N 0 0 310.441 3.817 50 0 DHAARN COC(=O)c1ccc([C@H](C)N(C)Cc2ccc(Cl)s2)o1 ZINC000084651700 563829275 /nfs/dbraw/zinc/82/92/75/563829275.db2.gz TWRLNSUYMZVCJS-VIFPVBQESA-N 0 0 313.806 3.974 50 0 DHAARN C[C@@H]1C(=O)Nc2ccccc2N1CCCCOc1ccccc1 ZINC000084678270 563830030 /nfs/dbraw/zinc/83/00/30/563830030.db2.gz UOVYPVWWQMMKHG-OAHLLOKOSA-N 0 0 310.397 3.693 50 0 DHAARN CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)OC)cc1 ZINC000084736540 563830525 /nfs/dbraw/zinc/83/05/25/563830525.db2.gz GDUZLRGBXVZFNG-SFHVURJKSA-N 0 0 323.392 3.623 50 0 DHAARN C[C@H](NC(=O)CN(C)Cc1cccc(Cl)c1)c1cccs1 ZINC000012782651 563830754 /nfs/dbraw/zinc/83/07/54/563830754.db2.gz PPOYOOQUMQPZAT-LBPRGKRZSA-N 0 0 322.861 3.711 50 0 DHAARN CCOCc1ccccc1NC(=O)NC[C@@]1(C)CCCS1 ZINC000084802798 563831345 /nfs/dbraw/zinc/83/13/45/563831345.db2.gz TUQSZHLRMHIDOB-MRXNPFEDSA-N 0 0 308.447 3.630 50 0 DHAARN C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000012784579 563831496 /nfs/dbraw/zinc/83/14/96/563831496.db2.gz GGKPMDASKNWZOE-SECBINFHSA-N 0 0 310.184 3.828 50 0 DHAARN O=C(NCCc1ccc(F)cc1)c1cc2ccccc2cc1O ZINC000012786170 563831584 /nfs/dbraw/zinc/83/15/84/563831584.db2.gz CPOFAZUZAKZFPU-UHFFFAOYSA-N 0 0 309.340 3.657 50 0 DHAARN COc1ccccc1[S@@](=O)Cc1ncc(-c2cccs2)o1 ZINC000085233463 563834283 /nfs/dbraw/zinc/83/42/83/563834283.db2.gz DAOJNMRMGWBBHM-OAQYLSRUSA-N 0 0 319.407 3.720 50 0 DHAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccc(F)cc1 ZINC000011690225 563835765 /nfs/dbraw/zinc/83/57/65/563835765.db2.gz SDEHMNNXBRBTFW-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN CCN(CC)C(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1 ZINC000011907439 563836808 /nfs/dbraw/zinc/83/68/08/563836808.db2.gz DAORCRPJVOQKPW-CYBMUJFWSA-N 0 0 302.443 3.892 50 0 DHAARN Cc1nc(CCNC(=O)c2ccccc2SC(C)C)cs1 ZINC000053240848 563838999 /nfs/dbraw/zinc/83/89/99/563838999.db2.gz QWYVFICOFBIOES-UHFFFAOYSA-N 0 0 320.483 3.925 50 0 DHAARN C[C@@H](NC(=O)c1cscn1)c1ccc(-c2ccncc2)cc1 ZINC000074295979 563839340 /nfs/dbraw/zinc/83/93/40/563839340.db2.gz VTPAJZFBXMCFGR-GFCCVEGCSA-N 0 0 309.394 3.696 50 0 DHAARN C[C@@H](NC(=O)c1ccncc1F)c1ccc(-c2ccncc2)cc1 ZINC000074296472 563839377 /nfs/dbraw/zinc/83/93/77/563839377.db2.gz GHAMUGFFXALRHY-CYBMUJFWSA-N 0 0 321.355 3.774 50 0 DHAARN CN(C(=O)c1cc(OCc2ccccc2)no1)c1ccccc1 ZINC000085558508 563839474 /nfs/dbraw/zinc/83/94/74/563839474.db2.gz PHVSWOGZFQRBGY-UHFFFAOYSA-N 0 0 308.337 3.530 50 0 DHAARN COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1F ZINC000012821214 563839684 /nfs/dbraw/zinc/83/96/84/563839684.db2.gz IFIGDVNADFPIEU-UHFFFAOYSA-N 0 0 320.389 3.812 50 0 DHAARN C[C@H]1CN(CCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 ZINC000020167439 563843082 /nfs/dbraw/zinc/84/30/82/563843082.db2.gz XHZVFPHGPKCULO-KBPBESRZSA-N 0 0 319.832 3.981 50 0 DHAARN CC(C)n1ccc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)ccc21 ZINC000085876090 563844158 /nfs/dbraw/zinc/84/41/58/563844158.db2.gz PISFKTHSCZCBPG-MRXNPFEDSA-N 0 0 314.429 3.910 50 0 biogenic DHAARN Cc1nn(C)c2sc(C(=O)Nc3ccc(C)c(F)c3)cc12 ZINC000012853607 563844690 /nfs/dbraw/zinc/84/46/90/563844690.db2.gz DCWNWUYQLCFWMB-UHFFFAOYSA-N 0 0 303.362 3.643 50 0 DHAARN COc1cc(C)ccc1OCc1nnc(-c2ccc(F)cc2)o1 ZINC000012854084 563844839 /nfs/dbraw/zinc/84/48/39/563844839.db2.gz FPRPRQYUDVUBQI-UHFFFAOYSA-N 0 0 314.316 3.772 50 0 DHAARN Cc1cccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000012864881 563845469 /nfs/dbraw/zinc/84/54/69/563845469.db2.gz FPDQVAWSHUOUQR-UHFFFAOYSA-N 0 0 320.396 3.845 50 0 DHAARN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1nnc(-c2ccccc2)o1 ZINC000186269275 563850938 /nfs/dbraw/zinc/85/09/38/563850938.db2.gz SQSSATZPZBZJPQ-GFCCVEGCSA-N 0 0 311.389 3.861 50 0 DHAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nccs1 ZINC000012897414 563852699 /nfs/dbraw/zinc/85/26/99/563852699.db2.gz QMVIXCLAXJXIRA-UHFFFAOYSA-N 0 0 317.345 3.509 50 0 DHAARN O=C(NCCCOCc1ccccc1)c1cccc2ncccc21 ZINC000012923834 563854521 /nfs/dbraw/zinc/85/45/21/563854521.db2.gz JSZOPECNENPTLK-UHFFFAOYSA-N 0 0 320.392 3.572 50 0 DHAARN COc1ccccc1CNC(=O)c1cccc2c1O[C@H](C)[C@H]2C ZINC000012925613 563854717 /nfs/dbraw/zinc/85/47/17/563854717.db2.gz NBAAOINLIHZLLM-CHWSQXEVSA-N 0 0 311.381 3.510 50 0 DHAARN O[C@@H]1Cc2cccc(NCc3cc4ccccc4nc3Cl)c2C1 ZINC000075094712 563859078 /nfs/dbraw/zinc/85/90/78/563859078.db2.gz NMSDOOPASTYZIQ-OAHLLOKOSA-N 0 0 324.811 3.960 50 0 DHAARN CC[C@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)cc1 ZINC000075093392 563859149 /nfs/dbraw/zinc/85/91/49/563859149.db2.gz UYPXODCAMSFJIG-GJZGRUSLSA-N 0 0 307.821 3.724 50 0 DHAARN CCCN(C(=O)CCc1cc(OC)cc(OC)c1)C(C)(C)C ZINC000075110136 563860495 /nfs/dbraw/zinc/86/04/95/563860495.db2.gz NZCUONDEQXUIIC-UHFFFAOYSA-N 0 0 307.434 3.674 50 0 DHAARN CC1(C(=O)NCc2nnc(-c3ccc(Cl)cc3)o2)CCCC1 ZINC000075141286 563860648 /nfs/dbraw/zinc/86/06/48/563860648.db2.gz AICLUYUDZXCSGJ-UHFFFAOYSA-N 0 0 319.792 3.587 50 0 DHAARN C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000075140576 563860934 /nfs/dbraw/zinc/86/09/34/563860934.db2.gz TXXKDRPERISGOO-XVJNWHFHSA-N 0 0 317.392 3.653 50 0 DHAARN CC(C)CCc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000075134667 563860967 /nfs/dbraw/zinc/86/09/67/563860967.db2.gz LXXFPHIYTPZOBC-UHFFFAOYSA-N 0 0 318.392 3.894 50 0 DHAARN Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)c(C)n1 ZINC000152212086 563861006 /nfs/dbraw/zinc/86/10/06/563861006.db2.gz JALQKUDDVMOWIA-GOSISDBHSA-N 0 0 309.413 3.841 50 0 DHAARN C[C@@](O)(CNC(=O)c1cccc2ccccc21)c1cccs1 ZINC000075155861 563861174 /nfs/dbraw/zinc/86/11/74/563861174.db2.gz NHHWUBQYILBRKC-GOSISDBHSA-N 0 0 311.406 3.539 50 0 DHAARN Cc1oncc1CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000575609610 563865577 /nfs/dbraw/zinc/86/55/77/563865577.db2.gz YYYHWWZKUVGDFY-UHFFFAOYSA-N 0 0 308.337 3.705 50 0 DHAARN COc1ccc2c(c1)[C@@H](C)N1C(=O)c3cc(Cl)ccc3[C@H]1O2 ZINC000035324788 563865813 /nfs/dbraw/zinc/86/58/13/563865813.db2.gz KDBATVNHYJHSPM-VVVCHXIZSA-N 0 0 315.756 3.957 50 0 DHAARN COc1ccc(CSc2nnc(-c3cccs3)n2C)cc1 ZINC000000529689 563866387 /nfs/dbraw/zinc/86/63/87/563866387.db2.gz QBLLEXNNMMEJSJ-UHFFFAOYSA-N 0 0 317.439 3.845 50 0 DHAARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3C(C)(C)C2=O)c1 ZINC000035398844 563866697 /nfs/dbraw/zinc/86/66/97/563866697.db2.gz ABFCJMBSAGLCOU-UHFFFAOYSA-N 0 0 322.408 3.566 50 0 DHAARN CCCCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000007997182 563867329 /nfs/dbraw/zinc/86/73/29/563867329.db2.gz WAAUHQJRAWHJNS-JTQLQIEISA-N 0 0 315.439 3.938 50 0 DHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1NC1CCCC1 ZINC000035479399 563867610 /nfs/dbraw/zinc/86/76/10/563867610.db2.gz PNGTZVGPWOEXFR-UHFFFAOYSA-N 0 0 313.401 3.778 50 0 DHAARN CC[C@@H](C(=O)NCc1nccnc1-c1ccoc1)c1ccccc1 ZINC000575620542 563868344 /nfs/dbraw/zinc/86/83/44/563868344.db2.gz OEAYIUZFYAGMDO-MRXNPFEDSA-N 0 0 321.380 3.547 50 0 DHAARN CCCCN(C)c1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000026580407 563870461 /nfs/dbraw/zinc/87/04/61/563870461.db2.gz PAFCLBAXSOWRCE-UHFFFAOYSA-N 0 0 309.417 3.669 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3Cl)c2)no1 ZINC000035539573 563872248 /nfs/dbraw/zinc/87/22/48/563872248.db2.gz ISFLSZSAFUMQOH-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN CCOc1ccc2c(cc(C(=O)NCc3ccccc3)n2C)c1 ZINC000035558612 563872421 /nfs/dbraw/zinc/87/24/21/563872421.db2.gz YJIPODHOVCNAFT-UHFFFAOYSA-N 0 0 308.381 3.507 50 0 DHAARN O=C(N1CCOC12CCCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000035671103 563874134 /nfs/dbraw/zinc/87/41/34/563874134.db2.gz SNDROKRZFMTKQL-UHFFFAOYSA-N 0 0 303.446 3.722 50 0 DHAARN CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1 ZINC000090762850 563875552 /nfs/dbraw/zinc/87/55/52/563875552.db2.gz ZVSACHBDANCMJU-NEPJUHHUSA-N 0 0 315.417 3.704 50 0 DHAARN O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@@H]1c1ccncc1 ZINC000123403803 563875561 /nfs/dbraw/zinc/87/55/61/563875561.db2.gz OSSWBSPCRFQXKI-RCCFBDPRSA-N 0 0 310.372 3.688 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000013006444 563875588 /nfs/dbraw/zinc/87/55/88/563875588.db2.gz KSEUGACFNQNESZ-UHFFFAOYSA-N 0 0 311.385 3.581 50 0 DHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccccc1F ZINC000013009623 563875603 /nfs/dbraw/zinc/87/56/03/563875603.db2.gz GDQIUQOXAAZLAB-AWEZNQCLSA-N 0 0 305.349 3.932 50 0 DHAARN CCC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000013012876 563875988 /nfs/dbraw/zinc/87/59/88/563875988.db2.gz BPJNWCNVTJLBKW-CYBMUJFWSA-N 0 0 313.372 3.975 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)CCc2ccc3[nH]cnc3c2)cc1C ZINC000075478911 563876103 /nfs/dbraw/zinc/87/61/03/563876103.db2.gz YTACEVXGNCQOOE-HNNXBMFYSA-N 0 0 321.424 3.990 50 0 DHAARN O=C(CCCc1nc2ccccc2s1)NCc1ccco1 ZINC000013011859 563876170 /nfs/dbraw/zinc/87/61/70/563876170.db2.gz NCINUXZQCBFXMI-UHFFFAOYSA-N 0 0 300.383 3.528 50 0 DHAARN Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000013016970 563876538 /nfs/dbraw/zinc/87/65/38/563876538.db2.gz ZOSHTBGCFMCDRD-ZMSDIMECSA-N 0 0 301.430 3.899 50 0 DHAARN CCCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC ZINC000001744664 563877133 /nfs/dbraw/zinc/87/71/33/563877133.db2.gz YYQPSSDSXHTYMJ-FNORWQNLSA-N 0 0 318.398 3.592 50 0 DHAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N(C)C ZINC000075508879 563878114 /nfs/dbraw/zinc/87/81/14/563878114.db2.gz ITGSWKMBIWOWBO-UHFFFAOYSA-N 0 0 319.408 3.609 50 0 DHAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2ccccc2n1 ZINC000002631213 563878606 /nfs/dbraw/zinc/87/86/06/563878606.db2.gz JQOOLCFDYSWWMC-UHFFFAOYSA-N 0 0 312.756 3.906 50 0 DHAARN CC[C@@H]1CCc2sc(C(=O)N[C@@H](C)[C@H]3CCCO3)cc2C1 ZINC000239212590 563879725 /nfs/dbraw/zinc/87/97/25/563879725.db2.gz SZSDGYOOFLKRNZ-OUCADQQQSA-N 0 0 307.459 3.560 50 0 DHAARN C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2)[C@H]1C ZINC000239339039 563879916 /nfs/dbraw/zinc/87/99/16/563879916.db2.gz LPMPPYTYFNJDFX-TYNCELHUSA-N 0 0 324.262 3.933 50 0 aggregator DHAARN Cc1cc(NC(=O)NC[C@H]2CC[C@H](CO)CC2)ccc1Cl ZINC000244701101 563880985 /nfs/dbraw/zinc/88/09/85/563880985.db2.gz KAFMNHXGICTOEM-JOCQHMNTSA-N 0 0 310.825 3.569 50 0 DHAARN O=C(OCc1cccc(F)c1)c1cc(-c2ccccc2F)no1 ZINC000028578877 563882292 /nfs/dbraw/zinc/88/22/92/563882292.db2.gz USOFWFQUTBKQTC-UHFFFAOYSA-N 0 0 315.275 3.977 50 0 DHAARN C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CCOCC1 ZINC000246424256 563883397 /nfs/dbraw/zinc/88/33/97/563883397.db2.gz VUYDDPCJCOROBQ-TUKIKUTGSA-N 0 0 308.805 3.802 50 0 DHAARN Cc1cc(OCc2nnc(C3CCC3)n2C)c2ccccc2n1 ZINC000192193158 563885464 /nfs/dbraw/zinc/88/54/64/563885464.db2.gz WMPTZMMANRMKBY-UHFFFAOYSA-N 0 0 308.385 3.518 50 0 DHAARN CC(=O)Oc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O ZINC000000301621 563886716 /nfs/dbraw/zinc/88/67/16/563886716.db2.gz PZECMCKZOOZRSV-UHFFFAOYSA-N 0 0 314.268 3.650 50 0 biogenic DHAARN COCc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000089420296 563886836 /nfs/dbraw/zinc/88/68/36/563886836.db2.gz VTCOKHMRVUOUKP-WDEREUQCSA-N 0 0 305.761 3.822 50 0 DHAARN C[C@@H](c1nnc(Cc2cccs2)o1)N(C)Cc1ccccc1 ZINC000521393906 563888011 /nfs/dbraw/zinc/88/80/11/563888011.db2.gz UUNLTDODJMIXAU-ZDUSSCGKSA-N 0 0 313.426 3.915 50 0 DHAARN c1cc2c(s1)CCN(c1nccc(OCc3ccccc3)n1)C2 ZINC000089588138 563891172 /nfs/dbraw/zinc/89/11/72/563891172.db2.gz VMAHQWBCZLDIBD-UHFFFAOYSA-N 0 0 323.421 3.680 50 0 DHAARN CCn1c2ccccc2c2cc(NS(=O)(=O)CC)ccc21 ZINC000002065860 563891534 /nfs/dbraw/zinc/89/15/34/563891534.db2.gz PAAQIUWKIIIFAE-UHFFFAOYSA-N 0 0 302.399 3.576 50 0 DHAARN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 ZINC000002066414 563891557 /nfs/dbraw/zinc/89/15/57/563891557.db2.gz LBIMGRCTVRJFFH-UHFFFAOYSA-N 0 0 310.397 3.777 50 0 DHAARN CC(C)n1cnc2cc(CNC(=O)CCc3ccccc3)ccc21 ZINC000064754997 563893136 /nfs/dbraw/zinc/89/31/36/563893136.db2.gz AVYNPFMPBRYWPC-UHFFFAOYSA-N 0 0 321.424 3.866 50 0 DHAARN CC(C)n1nnc2cc(C(=O)Nc3ccc(F)cc3F)ccc21 ZINC000064818447 563894114 /nfs/dbraw/zinc/89/41/14/563894114.db2.gz KHEBDPFGWGZVHX-UHFFFAOYSA-N 0 0 316.311 3.543 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3ccc(F)cc3C)ccc21 ZINC000064818623 563894458 /nfs/dbraw/zinc/89/44/58/563894458.db2.gz UZHAHMUNGIDPLT-UHFFFAOYSA-N 0 0 312.348 3.541 50 0 DHAARN CC(C)c1nc2ccc(C(=O)N[C@@H](C)Cc3ccco3)cc2o1 ZINC000064968334 563895352 /nfs/dbraw/zinc/89/53/52/563895352.db2.gz OAWVZVVKUBAXJB-LBPRGKRZSA-N 0 0 312.369 3.905 50 0 DHAARN O[C@@H](CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1 ZINC000066347442 563895500 /nfs/dbraw/zinc/89/55/00/563895500.db2.gz TXPGHNBEYSULQU-NSHDSACASA-N 0 0 322.386 3.763 50 0 DHAARN CC1(C)C[C@H](c2nn3c(nnc3-c3cccs3)s2)CCO1 ZINC000036357755 563896253 /nfs/dbraw/zinc/89/62/53/563896253.db2.gz KDJVQOKMZSMUAD-SECBINFHSA-N 0 0 320.443 3.587 50 0 DHAARN CC(C)Oc1cccc([C@@H]2CC(=O)Nc3nc(N)sc32)c1 ZINC000036358361 563896449 /nfs/dbraw/zinc/89/64/49/563896449.db2.gz ZMGTZUJJARSRAX-NSHDSACASA-N 0 0 303.387 3.636 50 0 DHAARN COc1cccc(NC(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000006842938 563896654 /nfs/dbraw/zinc/89/66/54/563896654.db2.gz PJPUTHNMMXWXOU-UHFFFAOYSA-N 0 0 318.760 3.780 50 0 DHAARN CC[C@@H]1CN(C(=O)Nc2cccc(OC)c2)c2ccccc2O1 ZINC000006843736 563896744 /nfs/dbraw/zinc/89/67/44/563896744.db2.gz RYOPNSXVORSTOA-CQSZACIVSA-N 0 0 312.369 3.905 50 0 DHAARN Cc1cccc(OCCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000006867618 563897618 /nfs/dbraw/zinc/89/76/18/563897618.db2.gz YRBIMDZGXHEGDK-UHFFFAOYSA-N 0 0 313.441 3.849 50 0 DHAARN Cc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)n1 ZINC000036391633 563897914 /nfs/dbraw/zinc/89/79/14/563897914.db2.gz DNBKWSFLDKWQCO-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1ccc(F)cc1 ZINC000036391049 563897976 /nfs/dbraw/zinc/89/79/76/563897976.db2.gz VOSKWXVKRJNWRA-LBPRGKRZSA-N 0 0 305.780 3.769 50 0 DHAARN CCC(CC)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@H]2C ZINC000036393598 563898417 /nfs/dbraw/zinc/89/84/17/563898417.db2.gz ICURBQJYMBYFIT-SNVBAGLBSA-N 0 0 323.820 3.714 50 0 DHAARN Cc1ccc(-c2c(=O)c(=O)c2Nc2cccc(Cl)c2)cc1C ZINC000006892958 563898738 /nfs/dbraw/zinc/89/87/38/563898738.db2.gz SQWDHTSYPNKBGG-UHFFFAOYSA-N 0 0 311.768 3.963 50 0 DHAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]C1CCC(C)CC1 ZINC000006894430 563899215 /nfs/dbraw/zinc/89/92/15/563899215.db2.gz JOTIYSBGLFNVCC-UHFFFAOYSA-N 0 0 300.402 3.843 50 0 DHAARN Cc1c(C)n(C)c2ccc(C(=O)NCCc3cccs3)cc12 ZINC000006912136 563899225 /nfs/dbraw/zinc/89/92/25/563899225.db2.gz IKGGFKCZXHXLLP-UHFFFAOYSA-N 0 0 312.438 3.829 50 0 DHAARN CSc1ncc(C(=O)Nc2ccc(Cl)cc2C)c(C)n1 ZINC000006937885 563900144 /nfs/dbraw/zinc/90/01/44/563900144.db2.gz FOCVOMGEASFLOB-UHFFFAOYSA-N 0 0 307.806 3.721 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153186 563900351 /nfs/dbraw/zinc/90/03/51/563900351.db2.gz GDFKARWNVLPULX-NSHDSACASA-N 0 0 314.366 3.809 50 0 DHAARN Cc1cccc(C(=O)N2CCC(CCOc3cccnc3)CC2)c1 ZINC000065181153 563900602 /nfs/dbraw/zinc/90/06/02/563900602.db2.gz OBDHBHNJFXOJJM-UHFFFAOYSA-N 0 0 324.424 3.711 50 0 DHAARN CC(C)(C)C(=O)N1CCC(CCOc2ccccc2F)CC1 ZINC000065180635 563900684 /nfs/dbraw/zinc/90/06/84/563900684.db2.gz CNTXYMZFQUBSTR-UHFFFAOYSA-N 0 0 307.409 3.879 50 0 DHAARN COc1cccc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000007007369 563901143 /nfs/dbraw/zinc/90/11/43/563901143.db2.gz DEVRZYKIIDKCPN-UHFFFAOYSA-N 0 0 308.381 3.723 50 0 biogenic DHAARN C[C@@H]1CCc2c(sc3ncnc(NCc4cccnc4)c23)C1 ZINC000013136409 563901444 /nfs/dbraw/zinc/90/14/44/563901444.db2.gz ZTMKXNAZAZYOOJ-LLVKDONJSA-N 0 0 310.426 3.823 50 0 DHAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(F)cc1 ZINC000007070538 563902120 /nfs/dbraw/zinc/90/21/20/563902120.db2.gz VVRCVWVCXNLWOV-UHFFFAOYSA-N 0 0 317.345 3.509 50 0 DHAARN c1ccc(CN2CCCC[C@@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286090 563902442 /nfs/dbraw/zinc/90/24/42/563902442.db2.gz AYKCYHPMXGBENP-QGZVFWFLSA-N 0 0 320.396 3.859 50 0 DHAARN Cn1cccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccccc1 ZINC000007088025 563902705 /nfs/dbraw/zinc/90/27/05/563902705.db2.gz ARZQFMGOCYDLKW-IBGZPJMESA-N 0 0 317.392 3.792 50 0 DHAARN FC(F)(F)c1ccc2sc(NC[C@H]3CCCO3)nc2c1 ZINC000036722674 563903580 /nfs/dbraw/zinc/90/35/80/563903580.db2.gz DTJMZMVZUUEALL-SECBINFHSA-N 0 0 302.321 3.906 50 0 DHAARN Cc1ccc(C(=O)OCc2nc(-c3cccs3)no2)s1 ZINC000007169929 563904032 /nfs/dbraw/zinc/90/40/32/563904032.db2.gz YHODEZSBRLERMV-UHFFFAOYSA-N 0 0 306.368 3.525 50 0 DHAARN Cc1ccccc1CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000007182616 563904206 /nfs/dbraw/zinc/90/42/06/563904206.db2.gz BGVRSSAVKMHRKQ-UHFFFAOYSA-N 0 0 309.394 3.695 50 0 DHAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)N(C)Cc1ccccc1 ZINC000007242366 563904587 /nfs/dbraw/zinc/90/45/87/563904587.db2.gz AOYRQYYBXLLWLA-HNNXBMFYSA-N 0 0 308.425 3.634 50 0 DHAARN O=C(CSc1nccn1Cc1ccccc1)Nc1ccccc1 ZINC000007391501 563905751 /nfs/dbraw/zinc/90/57/51/563905751.db2.gz PLJFOJATQGOOCV-UHFFFAOYSA-N 0 0 323.421 3.662 50 0 DHAARN Cc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000003130023 563905864 /nfs/dbraw/zinc/90/58/64/563905864.db2.gz FPYKBHHAHUFFTR-UHFFFAOYSA-N 0 0 316.154 3.558 50 0 DHAARN O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCCCC1 ZINC000013219609 563905953 /nfs/dbraw/zinc/90/59/53/563905953.db2.gz DROJVECMTATWCM-UHFFFAOYSA-N 0 0 305.381 3.627 50 0 DHAARN Cc1noc(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007401061 563906189 /nfs/dbraw/zinc/90/61/89/563906189.db2.gz FSUYLCJRZRNRAI-UHFFFAOYSA-N 0 0 312.291 3.882 50 0 DHAARN CCc1ccccc1NC(=O)CN1CCCc2cc(C)ccc21 ZINC000007494311 563907126 /nfs/dbraw/zinc/90/71/26/563907126.db2.gz UFYSHUKHGIDBJH-UHFFFAOYSA-N 0 0 308.425 3.949 50 0 DHAARN Cc1nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2s1 ZINC000007505253 563907478 /nfs/dbraw/zinc/90/74/78/563907478.db2.gz SFAZICJLTGYEKQ-UHFFFAOYSA-N 0 0 322.386 3.545 50 0 DHAARN Cc1ccccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000170607617 563907600 /nfs/dbraw/zinc/90/76/00/563907600.db2.gz AVSCKRKLTOCULF-UHFFFAOYSA-N 0 0 322.330 3.899 50 0 DHAARN CC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCC2 ZINC000170610475 563907640 /nfs/dbraw/zinc/90/76/40/563907640.db2.gz QEWKWVZYMGOBSC-UHFFFAOYSA-N 0 0 317.385 3.760 50 0 DHAARN Cc1oc(-c2ccsc2)nc1CSC[C@@H](O)C(F)(F)F ZINC000170608254 563907815 /nfs/dbraw/zinc/90/78/15/563907815.db2.gz JDHUMTUDNKUTGM-SNVBAGLBSA-N 0 0 323.361 3.868 50 0 DHAARN O=C1CCc2ccc(OCc3cc(F)cc4cccnc43)cc2N1 ZINC000170613163 563908003 /nfs/dbraw/zinc/90/80/03/563908003.db2.gz XZUWKYJLQDJVAD-UHFFFAOYSA-N 0 0 322.339 3.838 50 0 DHAARN CC(C)(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000170612769 563908011 /nfs/dbraw/zinc/90/80/11/563908011.db2.gz DBCOOIVSZQLUPA-OAHLLOKOSA-N 0 0 317.454 3.831 50 0 DHAARN CC(C)=CCNC(=O)COC(c1ccccc1)c1ccccc1 ZINC000170611360 563908055 /nfs/dbraw/zinc/90/80/55/563908055.db2.gz DAYAIRMOMSUFIK-UHFFFAOYSA-N 0 0 309.409 3.875 50 0 DHAARN CCc1ccccc1OC(=O)C[C@@H]1OCCc2ccsc21 ZINC000170621161 563908571 /nfs/dbraw/zinc/90/85/71/563908571.db2.gz UPBNROHIPBRXKP-HNNXBMFYSA-N 0 0 302.395 3.920 50 0 DHAARN Cc1csc(-c2cccc(NC(=O)NCc3cccnc3)c2)n1 ZINC000071855079 563909531 /nfs/dbraw/zinc/90/95/31/563909531.db2.gz OUYHKNVGNHWZLO-UHFFFAOYSA-N 0 0 324.409 3.835 50 0 DHAARN C[C@H](NC(=O)Nc1cccc(Br)c1)c1cccnc1 ZINC000013331926 563909648 /nfs/dbraw/zinc/90/96/48/563909648.db2.gz MYLARARHUFWMRI-JTQLQIEISA-N 0 0 320.190 3.727 50 0 DHAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccccc2Br)C1 ZINC000013746106 563910021 /nfs/dbraw/zinc/91/00/21/563910021.db2.gz OESNGRAKCJNRDJ-PHIMTYICSA-N 0 0 311.223 3.959 50 0 DHAARN C[C@H]1C[C@H](C)CN(C(=O)Nc2ccccc2Br)C1 ZINC000013746108 563910023 /nfs/dbraw/zinc/91/00/23/563910023.db2.gz OESNGRAKCJNRDJ-QWRGUYRKSA-N 0 0 311.223 3.959 50 0 DHAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1Cc2ccccc2S1 ZINC000014047538 563910324 /nfs/dbraw/zinc/91/03/24/563910324.db2.gz BCLBHAUOISILGC-MRXNPFEDSA-N 0 0 317.841 3.716 50 0 DHAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cc2ccccc2o1 ZINC000014187073 563910431 /nfs/dbraw/zinc/91/04/31/563910431.db2.gz VCCQMJLFFFTUJI-GDNBJRDFSA-N 0 0 307.280 3.916 50 0 DHAARN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000014427415 563910609 /nfs/dbraw/zinc/91/06/09/563910609.db2.gz CFCOWRAPZUEIFS-CQSZACIVSA-N 0 0 301.729 3.580 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)Nc2ccc(OC(C)C)c(C)c2)no1 ZINC000089591140 563910792 /nfs/dbraw/zinc/91/07/92/563910792.db2.gz UCSXQVGEXQOPLK-CYBMUJFWSA-N 0 0 317.389 3.518 50 0 DHAARN Cc1nc(-c2cccc(NCc3csc(C4CC4)n3)c2)no1 ZINC000089718511 563911153 /nfs/dbraw/zinc/91/11/53/563911153.db2.gz XHYXZICZZAFPRW-UHFFFAOYSA-N 0 0 312.398 3.991 50 0 DHAARN Fc1cccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)c1 ZINC000089774847 563911228 /nfs/dbraw/zinc/91/12/28/563911228.db2.gz CEBWAENNPFGPAS-LBPRGKRZSA-N 0 0 302.349 3.573 50 0 DHAARN c1cnn(-c2ccc(OCc3nnc(-c4cccs4)o3)cc2)c1 ZINC000089800099 563911408 /nfs/dbraw/zinc/91/14/08/563911408.db2.gz ZSKQWYWSXWFLLC-UHFFFAOYSA-N 0 0 324.365 3.563 50 0 DHAARN C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)OC(=O)CC[C@@H]12 ZINC000016890114 563911478 /nfs/dbraw/zinc/91/14/78/563911478.db2.gz CNIXJDVUMXTEKX-MGGVOPSTSA-N 0 0 302.414 3.814 50 0 DHAARN Nc1nc(Cl)cc(N2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000089830462 563911488 /nfs/dbraw/zinc/91/14/88/563911488.db2.gz MYVZICJDIOIQDA-CQSZACIVSA-N 0 0 316.836 3.704 50 0 DHAARN O=C(c1cc2c(cccc2F)[nH]1)N1CCc2ccsc2C1 ZINC000089800292 563911510 /nfs/dbraw/zinc/91/15/10/563911510.db2.gz QXWVITUSEDEHFX-UHFFFAOYSA-N 0 0 300.358 3.567 50 0 DHAARN Cc1nnc([C@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)o1 ZINC000079881423 563911739 /nfs/dbraw/zinc/91/17/39/563911739.db2.gz KZLZAJMFQWXMCP-QMMMGPOBSA-N 0 0 300.189 3.878 50 0 DHAARN O=C(c1ccncc1Cl)N(CCC(F)(F)F)CC1CC1 ZINC000089884875 563911950 /nfs/dbraw/zinc/91/19/50/563911950.db2.gz DNYKNWFZOKJMPM-UHFFFAOYSA-N 0 0 306.715 3.540 50 0 DHAARN O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCn2ccnc2C1 ZINC000089851166 563911824 /nfs/dbraw/zinc/91/18/24/563911824.db2.gz AIQFWXLPJFNNER-QGZVFWFLSA-N 0 0 317.392 3.751 50 0 DHAARN O=C(NCc1ccncc1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000089873211 563911869 /nfs/dbraw/zinc/91/18/69/563911869.db2.gz BSDZZDIITXMLDZ-RBUKOAKNSA-N 0 0 302.377 3.655 50 0 DHAARN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)C1CC=CC1 ZINC000089878955 563912029 /nfs/dbraw/zinc/91/20/29/563912029.db2.gz MANYWUPPMHFWOL-QGZVFWFLSA-N 0 0 312.800 3.907 50 0 DHAARN C[C@H](O)CNc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000089901364 563912050 /nfs/dbraw/zinc/91/20/50/563912050.db2.gz BGUZVFMKLMAJPK-VIFPVBQESA-N 0 0 319.817 3.804 50 0 DHAARN COc1ccc(OC)c([C@H](C)NC(=O)C2=C(Cl)CCC2)c1 ZINC000089904584 563912132 /nfs/dbraw/zinc/91/21/32/563912132.db2.gz XXBNEULWIVVBHS-JTQLQIEISA-N 0 0 309.793 3.558 50 0 DHAARN O=C(/C=C/c1cccnc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000076067172 563912155 /nfs/dbraw/zinc/91/21/55/563912155.db2.gz LMVIYBMHSNBXQV-IJDCCNJMSA-N 0 0 324.449 3.736 50 0 DHAARN Cc1nc(CN(C)C(=O)NC[C@@H](C)Cc2cccs2)cs1 ZINC000076087270 563912313 /nfs/dbraw/zinc/91/23/13/563912313.db2.gz FTZQPXJWWMQQSA-NSHDSACASA-N 0 0 323.487 3.533 50 0 DHAARN CS[C@@H](C)c1cccc(NC(=O)N[C@@H](CO)c2ccco2)c1 ZINC000076070406 563912372 /nfs/dbraw/zinc/91/23/72/563912372.db2.gz KJSDOLCNHCOKGD-FZMZJTMJSA-N 0 0 320.414 3.559 50 0 DHAARN COc1cc(OC)cc(C(=O)OCc2ccc(Cl)cc2)c1 ZINC000000150951 563912762 /nfs/dbraw/zinc/91/27/62/563912762.db2.gz MHKKLPVAZMEBPE-UHFFFAOYSA-N 0 0 306.745 3.714 50 0 DHAARN c1cc2c(o1)CCC[C@H]2[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000193038660 563912795 /nfs/dbraw/zinc/91/27/95/563912795.db2.gz VEAZDLBHHBWARF-OAHLLOKOSA-N 0 0 309.369 3.539 50 0 DHAARN CCOc1ccc(-c2csc(NC(C)=O)c2C(=O)OC)cc1 ZINC000002889581 563913063 /nfs/dbraw/zinc/91/30/63/563913063.db2.gz SBNXZWACGHCMLB-UHFFFAOYSA-N 0 0 319.382 3.559 50 0 DHAARN CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(N(C)C)nc1 ZINC000170637503 563913762 /nfs/dbraw/zinc/91/37/62/563913762.db2.gz ITTJKNRAABBHTI-MRXNPFEDSA-N 0 0 318.465 3.970 50 0 DHAARN CC(C)CC[C@@](C)(O)CNc1ncnc2sc3c(c21)CCC3 ZINC000170637158 563913778 /nfs/dbraw/zinc/91/37/78/563913778.db2.gz URXMKHYGDGKVNW-QGZVFWFLSA-N 0 0 319.474 3.779 50 0 DHAARN C[C@H](O)c1ccc(CCNC(=O)Nc2cccc(Cl)c2)s1 ZINC000225690489 563914211 /nfs/dbraw/zinc/91/42/11/563914211.db2.gz DJCGUMNIXOMWFE-JTQLQIEISA-N 0 0 324.833 3.819 50 0 DHAARN Cc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000426452 563914256 /nfs/dbraw/zinc/91/42/56/563914256.db2.gz VHYXOZSXMHZBGS-UHFFFAOYSA-N 0 0 315.380 3.736 50 0 DHAARN CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1cccnc1 ZINC000252452519 563914856 /nfs/dbraw/zinc/91/48/56/563914856.db2.gz NBKLVAWEYVASIU-UHFFFAOYSA-N 0 0 314.698 3.985 50 0 DHAARN CC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000252488350 563915997 /nfs/dbraw/zinc/91/59/97/563915997.db2.gz IPYICWFENRBCLC-UHFFFAOYSA-N 0 0 317.410 3.615 50 0 DHAARN Cc1cc(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)on1 ZINC000252504774 563916394 /nfs/dbraw/zinc/91/63/94/563916394.db2.gz VKYQLKVXVMLSRM-LLVKDONJSA-N 0 0 321.327 3.673 50 0 DHAARN c1cnn(CCNc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000170646426 563916723 /nfs/dbraw/zinc/91/67/23/563916723.db2.gz LRBUMKQDIAXFDJ-UHFFFAOYSA-N 0 0 321.409 3.667 50 0 DHAARN CC(C)CCn1cc(C(=O)N2CCCC[C@H]3CCCC[C@@H]32)nn1 ZINC000252527461 563916810 /nfs/dbraw/zinc/91/68/10/563916810.db2.gz CPPXMNLQIJHNIA-WBVHZDCISA-N 0 0 318.465 3.509 50 0 DHAARN CCc1nnc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)s1 ZINC000153546561 563916921 /nfs/dbraw/zinc/91/69/21/563916921.db2.gz MGWQDPIISSJUPG-WDEREUQCSA-N 0 0 320.418 3.699 50 0 DHAARN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000054666835 563917058 /nfs/dbraw/zinc/91/70/58/563917058.db2.gz UOHKMYXZEVVFRK-CRAIPNDOSA-N 0 0 323.440 3.983 50 0 DHAARN Cn1cc(NC(=O)Nc2ccc3nc(C4CC4)sc3c2)cn1 ZINC000194592892 563917680 /nfs/dbraw/zinc/91/76/80/563917680.db2.gz UZIXUDKPXOGCKJ-UHFFFAOYSA-N 0 0 313.386 3.551 50 0 DHAARN Cc1cccc(OCC(=O)Nc2nc3c(s2)CCCC3)c1C ZINC000007642414 563917764 /nfs/dbraw/zinc/91/77/64/563917764.db2.gz PHLJRLLFULLKKC-UHFFFAOYSA-N 0 0 316.426 3.656 50 0 DHAARN C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC000241262079 563918468 /nfs/dbraw/zinc/91/84/68/563918468.db2.gz LBEXKXVWBKMEOC-GFCCVEGCSA-N 0 0 317.820 3.706 50 0 DHAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1F ZINC000007755661 563918717 /nfs/dbraw/zinc/91/87/17/563918717.db2.gz HTRQLFHNHSZEAI-NSHDSACASA-N 0 0 307.752 3.563 50 0 DHAARN Cc1ccc(CNc2ccc(CC(=O)NCC(C)C)cc2)cc1 ZINC000037554678 563918772 /nfs/dbraw/zinc/91/87/72/563918772.db2.gz BFQLKHLLFHOOJD-UHFFFAOYSA-N 0 0 310.441 3.922 50 0 DHAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)C1CCC1 ZINC000007758082 563918975 /nfs/dbraw/zinc/91/89/75/563918975.db2.gz PVYHEXTTZLPJJO-UHFFFAOYSA-N 0 0 324.380 3.686 50 0 DHAARN CCCCOc1ccc(C(=O)OCC(=O)c2cccs2)cc1 ZINC000007783944 563919275 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/nfs/dbraw/zinc/92/05/65/563920565.db2.gz ARFPRWXLCJBJFD-UHFFFAOYSA-N 0 0 322.408 3.611 50 0 DHAARN Cc1ccc(C)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 ZINC000007910545 563920571 /nfs/dbraw/zinc/92/05/71/563920571.db2.gz QLYYAPUECNOUTL-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCCC2)o1 ZINC000015255342 563920678 /nfs/dbraw/zinc/92/06/78/563920678.db2.gz FEWNFDYPFKLVPU-UHFFFAOYSA-N 0 0 324.384 3.686 50 0 DHAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCC2CC2)cc1C ZINC000027469044 563920835 /nfs/dbraw/zinc/92/08/35/563920835.db2.gz NWRYPQPCGCXQAV-UHFFFAOYSA-N 0 0 307.393 3.674 50 0 DHAARN Clc1ccc2[nH]c([C@@H]3CCCN3C[C@H]3CCCO3)nc2c1 ZINC000052575063 563924081 /nfs/dbraw/zinc/92/40/81/563924081.db2.gz QRDGSLHOFPEJTO-DOMZBBRYSA-N 0 0 305.809 3.532 50 0 DHAARN O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1cc[nH]c1C1CC1 ZINC000253415241 563924991 /nfs/dbraw/zinc/92/49/91/563924991.db2.gz NROBMTCBOMUSMK-UHFFFAOYSA-N 0 0 310.275 3.869 50 0 DHAARN Cn1c(SCc2cnc3ccccc3c2)nnc1-c1ccco1 ZINC000253424002 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O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccno1 ZINC000010253972 563958317 /nfs/dbraw/zinc/95/83/17/563958317.db2.gz OLBKUMJTKRDCTD-UHFFFAOYSA-N 0 0 305.293 3.735 50 0 DHAARN COc1ccccc1N(C(=O)Nc1ccccc1)C1=NCCC1 ZINC000010165948 563958329 /nfs/dbraw/zinc/95/83/29/563958329.db2.gz FKVVTACCJNSEGO-UHFFFAOYSA-N 0 0 309.369 3.926 50 0 DHAARN O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccccc2)[nH]n1 ZINC000010192391 563958428 /nfs/dbraw/zinc/95/84/28/563958428.db2.gz KVKZSLGNTPRRKM-UHFFFAOYSA-N 0 0 324.409 3.664 50 0 DHAARN O=C([C@@H]1Cc2ccccc2O1)N1CCCCC[C@@H]1c1ccncc1 ZINC000071798123 563958465 /nfs/dbraw/zinc/95/84/65/563958465.db2.gz QTEBCRKIHMKIFT-MJGOQNOKSA-N 0 0 322.408 3.529 50 0 DHAARN Cc1ccc(Cn2c(CO)cnc2SCCC(C)C)cc1 ZINC000010336194 563958586 /nfs/dbraw/zinc/95/85/86/563958586.db2.gz WTGHRVWWDOEHIT-UHFFFAOYSA-N 0 0 304.459 3.870 50 0 DHAARN CC(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)cc1 ZINC000010311292 563958618 /nfs/dbraw/zinc/95/86/18/563958618.db2.gz KQKCKBBQJYELFR-IBGZPJMESA-N 0 0 322.408 3.665 50 0 DHAARN 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314.414 3.718 50 0 DHAARN CCc1oc2ccccc2c1-c1nccn1CCc1cnccn1 ZINC000071745337 191018966 /nfs/dbraw/zinc/01/89/66/191018966.db2.gz ADTJUUBUQOAEQR-UHFFFAOYSA-N 0 0 318.380 3.891 50 0 DHAARN O=C(c1ccccn1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071746988 191020637 /nfs/dbraw/zinc/02/06/37/191020637.db2.gz MDXIEMHSMQUUMN-MRXNPFEDSA-N 0 0 312.388 3.706 50 0 DHAARN C[C@@H](Cn1cncn1)n1ccnc1-c1ccc(Cl)cc1Cl ZINC000071748326 191021294 /nfs/dbraw/zinc/02/12/94/191021294.db2.gz WLBKMBXXWZYEPE-JTQLQIEISA-N 0 0 322.199 3.710 50 0 DHAARN O=C(NCc1csc(-c2ccco2)n1)[C@@H]1CCc2ccccc21 ZINC000084581855 192442473 /nfs/dbraw/zinc/44/24/73/192442473.db2.gz HLWZOTUTDMPBEN-OAHLLOKOSA-N 0 0 324.405 3.749 50 0 DHAARN COc1ccc2c(c1)CCN1Cc3[nH]c4ccccc4c3C[C@H]21 ZINC000071769142 191029556 /nfs/dbraw/zinc/02/95/56/191029556.db2.gz PPHXAWMEWGQMQD-HXUWFJFHSA-N 0 0 304.393 3.832 50 0 DHAARN COc1cccc(CC/C=C/[C@H](O)Cc2cccc(OC)c2)c1 ZINC000071770800 191029785 /nfs/dbraw/zinc/02/97/85/191029785.db2.gz TUVKJETVDYINJT-MUFCHLESSA-N 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315.866 3.901 50 0 DHAARN Cc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)[nH]n2)cc1 ZINC000072238555 191081504 /nfs/dbraw/zinc/08/15/04/191081504.db2.gz OBFHFGCGAWHURR-UHFFFAOYSA-N 0 0 321.380 3.960 50 0 DHAARN CN(C)C(=O)c1cc2sccc2n1Cc1cccc(F)c1 ZINC000072239323 191082467 /nfs/dbraw/zinc/08/24/67/191082467.db2.gz VYUDHOKIGGYVBL-UHFFFAOYSA-N 0 0 302.374 3.592 50 0 DHAARN Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)CCC(=O)N2C)cc1 ZINC000072239408 191082797 /nfs/dbraw/zinc/08/27/97/191082797.db2.gz QQWRVHGCQRAGPU-IEBWSBKVSA-N 0 0 322.408 3.543 50 0 DHAARN Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C)nc2)n1 ZINC000072232446 191079451 /nfs/dbraw/zinc/07/94/51/191079451.db2.gz KJHRCVSVXHIUHC-CQSZACIVSA-N 0 0 301.415 3.522 50 0 DHAARN O=C(NC1CCCC1)c1ccnc2c(Br)cccc12 ZINC000072243409 191086144 /nfs/dbraw/zinc/08/61/44/191086144.db2.gz VDFNUBSBKLGAKW-UHFFFAOYSA-N 0 0 319.202 3.670 50 0 DHAARN Cc1ccc(C2(C(=O)N3C[C@H](C)C[C@H](C)C3)CCOCC2)cc1 ZINC000072265197 191089935 /nfs/dbraw/zinc/08/99/35/191089935.db2.gz ADKJAAWBQNUIPV-CALCHBBNSA-N 0 0 315.457 3.548 50 0 DHAARN Cc1nc([C@@H](C)NC(=O)NC2(c3ccccc3)CCC2)cs1 ZINC000072271581 191093615 /nfs/dbraw/zinc/09/36/15/191093615.db2.gz YZUVOZWMCQACFS-GFCCVEGCSA-N 0 0 315.442 3.891 50 0 DHAARN CCC1(CC)CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000072281717 191102421 /nfs/dbraw/zinc/10/24/21/191102421.db2.gz WPPNLXNGEAZEMF-UHFFFAOYSA-N 0 0 313.319 3.771 50 0 DHAARN CCc1csc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 ZINC000072282201 191102784 /nfs/dbraw/zinc/10/27/84/191102784.db2.gz KAYGOYRMFZACJN-KBPBESRZSA-N 0 0 304.459 3.768 50 0 DHAARN CC[C@H](OC1CCCC1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072298582 191112607 /nfs/dbraw/zinc/11/26/07/191112607.db2.gz HNKPXHLHLWJYSF-CABCVRRESA-N 0 0 322.474 3.935 50 0 DHAARN Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)sc1C ZINC000072297529 191113345 /nfs/dbraw/zinc/11/33/45/191113345.db2.gz YJHJQDGSTGJIEP-AWEZNQCLSA-N 0 0 318.417 3.919 50 0 DHAARN Cc1ccoc1C(=O)N1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000072297449 191113410 /nfs/dbraw/zinc/11/34/10/191113410.db2.gz UGEFLZVVINYYOF-CYBMUJFWSA-N 0 0 304.415 3.681 50 0 DHAARN Cc1csc([C@@H]2CCCN(C(=O)COC3CCCCC3)C2)n1 ZINC000072298943 191113665 /nfs/dbraw/zinc/11/36/65/191113665.db2.gz PVADWWVBGFPCHQ-CQSZACIVSA-N 0 0 322.474 3.507 50 0 DHAARN Cc1ccccc1NC(=O)NC[C@H](c1ccsc1)N1CCC1 ZINC000225595856 186281564 /nfs/dbraw/zinc/28/15/64/186281564.db2.gz JOPNGLNRTSUZIQ-MRXNPFEDSA-N 0 0 315.442 3.625 50 0 DHAARN O=C(c1c[nH]nc1C1CC1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000225606230 186282636 /nfs/dbraw/zinc/28/26/36/186282636.db2.gz RUPQCNXZLUOFLE-ZDUSSCGKSA-N 0 0 315.804 3.570 50 0 DHAARN O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000225606200 186282665 /nfs/dbraw/zinc/28/26/65/186282665.db2.gz RUPQCNXZLUOFLE-CYBMUJFWSA-N 0 0 315.804 3.570 50 0 DHAARN CC(C)(C(N)=O)c1ccc(NCc2sccc2Cl)cc1 ZINC000225611543 186283302 /nfs/dbraw/zinc/28/33/02/186283302.db2.gz NNUSYFLXMRFGQN-UHFFFAOYSA-N 0 0 308.834 3.777 50 0 DHAARN Cc1ccc(C(=O)OCc2cc(-c3cccc(F)c3)on2)o1 ZINC000225620989 186284624 /nfs/dbraw/zinc/28/46/24/186284624.db2.gz OALZCQKHSXKKDR-UHFFFAOYSA-N 0 0 301.273 3.739 50 0 DHAARN O=C(/C=C/c1ccco1)NCc1cccnc1-c1ccsc1 ZINC000225644279 186286430 /nfs/dbraw/zinc/28/64/30/186286430.db2.gz CXPSUCPVORQJGN-AATRIKPKSA-N 0 0 310.378 3.733 50 0 DHAARN O=C(Cc1ccc(Cl)s1)N1CCOCc2ccccc21 ZINC000253395031 186304050 /nfs/dbraw/zinc/30/40/50/186304050.db2.gz HORRAJZLVYDPBQ-UHFFFAOYSA-N 0 0 307.802 3.507 50 0 DHAARN CCN(CC(C)(C)O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000072309212 191118757 /nfs/dbraw/zinc/11/87/57/191118757.db2.gz DIHKUYAFUIILRL-UHFFFAOYSA-N 0 0 305.205 3.618 50 0 DHAARN Cc1cccc2ncnc(Sc3nnc(C4CC4)n3C3CC3)c12 ZINC000072307793 191118804 /nfs/dbraw/zinc/11/88/04/191118804.db2.gz SVBXZRZUWZODOD-UHFFFAOYSA-N 0 0 323.425 3.893 50 0 DHAARN O=C(N[C@@H]1CCc2ccccc21)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000072328226 191122644 /nfs/dbraw/zinc/12/26/44/191122644.db2.gz OXORLJBZKKDYIF-MRXNPFEDSA-N 0 0 321.355 3.633 50 0 DHAARN Cc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)s1 ZINC000072331324 191124222 /nfs/dbraw/zinc/12/42/22/191124222.db2.gz UFRFWCUBWIKTNJ-UHFFFAOYSA-N 0 0 314.454 3.636 50 0 DHAARN CCc1ccc(-c2n[nH]cc2C(=O)NCc2cccs2)cc1 ZINC000072329178 191124292 /nfs/dbraw/zinc/12/42/92/191124292.db2.gz USGBIJBEBPQPTO-UHFFFAOYSA-N 0 0 311.410 3.631 50 0 DHAARN COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc21 ZINC000072329587 191124307 /nfs/dbraw/zinc/12/43/07/191124307.db2.gz KCZXEVGQNPXOPL-GFCCVEGCSA-N 0 0 324.355 3.874 50 0 DHAARN Cc1ccc(CNC(=O)c2c[nH]nc2-c2cccc(C)c2)cc1 ZINC000072329103 191124406 /nfs/dbraw/zinc/12/44/06/191124406.db2.gz ZUHWTDHUKNDXMJ-UHFFFAOYSA-N 0 0 305.381 3.624 50 0 DHAARN O=C(NCc1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000072331688 191124889 /nfs/dbraw/zinc/12/48/89/191124889.db2.gz LWLNPGWJAKORTL-UHFFFAOYSA-N 0 0 315.241 3.914 50 0 DHAARN CCOc1cc(CNC(=O)c2ccc(Cl)cc2)ccc1OC ZINC000072331446 191125042 /nfs/dbraw/zinc/12/50/42/191125042.db2.gz XFFYYSWIIRSYBF-UHFFFAOYSA-N 0 0 319.788 3.677 50 0 DHAARN NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000017634 180669797 /nfs/dbraw/zinc/66/97/97/180669797.db2.gz KQBCICUZWLXVRG-UHFFFAOYSA-N 0 0 324.167 3.736 50 0 DHAARN CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N ZINC000000016154 180670040 /nfs/dbraw/zinc/67/00/40/180670040.db2.gz PCOBBVZJEWWZFR-UHFFFAOYSA-N 0 0 303.337 3.588 50 0 fda DHAARN CC(C)c1ccc(NN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 ZINC000000069529 180683055 /nfs/dbraw/zinc/68/30/55/180683055.db2.gz YLZARTZXPIEESK-KRWDZBQOSA-N 0 0 308.381 3.680 50 0 DHAARN Cn1ccc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)ccc21 ZINC000072401804 191150784 /nfs/dbraw/zinc/15/07/84/191150784.db2.gz FNPDINBOSZLTLZ-UHFFFAOYSA-N 0 0 322.364 3.592 50 0 DHAARN C[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 ZINC000000048353 180677659 /nfs/dbraw/zinc/67/76/59/180677659.db2.gz ACDYXIJZDMIJJB-LLVKDONJSA-N 0 0 304.187 3.940 50 0 DHAARN COc1ccc2occ(C(=O)c3cc(OC)ccc3OC)c2c1 ZINC000000050573 180678001 /nfs/dbraw/zinc/67/80/01/180678001.db2.gz DHAXLZVOCYIADN-UHFFFAOYSA-N 0 0 312.321 3.690 50 0 DHAARN CN(C(=O)Nc1cnccc1C(F)(F)F)C1CCCCC1 ZINC000000077554 180685543 /nfs/dbraw/zinc/68/55/43/180685543.db2.gz ATVRZZZIXVDCMJ-UHFFFAOYSA-N 0 0 301.312 3.897 50 0 DHAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 ZINC000000082512 180686845 /nfs/dbraw/zinc/68/68/45/180686845.db2.gz PNRWLQBAIFWKKM-CYBMUJFWSA-N 0 0 308.333 3.752 50 0 biogenic DHAARN Oc1cccc(Nc2ncnc3ccc(Br)cc32)c1 ZINC000000084942 180687813 /nfs/dbraw/zinc/68/78/13/180687813.db2.gz GDEGGUFWLMDOHK-UHFFFAOYSA-N 0 0 316.158 3.842 50 0 DHAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3)cc21 ZINC000000086273 180688222 /nfs/dbraw/zinc/68/82/22/180688222.db2.gz PQLDCFMCKOSCNJ-UHFFFAOYSA-N 0 0 310.305 3.747 50 0 biogenic DHAARN S=C1NC2(CCCCCCC2)NN1c1ccc(Cl)cc1 ZINC000000087893 180688984 /nfs/dbraw/zinc/68/89/84/180688984.db2.gz QZUWJTHEFSBUKI-UHFFFAOYSA-N 0 0 309.866 3.980 50 0 DHAARN Cc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(Cl)c3c2)cc1 ZINC000000114784 180696792 /nfs/dbraw/zinc/69/67/92/180696792.db2.gz CPSRXADKKBCMHA-UHFFFAOYSA-N 0 0 320.801 3.931 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000000116083 180697524 /nfs/dbraw/zinc/69/75/24/180697524.db2.gz SJHBMKZXBGFTPY-SOFGYWHQSA-N 0 0 311.381 3.973 50 0 DHAARN COc1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000122884 180699751 /nfs/dbraw/zinc/69/97/51/180699751.db2.gz XSZFNGBSMIARBY-SFHVURJKSA-N 0 0 313.422 3.512 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1OC ZINC000000144409 180707234 /nfs/dbraw/zinc/70/72/34/180707234.db2.gz VYQBWGSVIBZHED-UHFFFAOYSA-N 0 0 315.369 3.743 50 0 DHAARN CCOc1ccccc1NC(=O)c1c(N)sc2c1CCCC2 ZINC000000130396 180702851 /nfs/dbraw/zinc/70/28/51/180702851.db2.gz IFDBDLGLZAQYLV-UHFFFAOYSA-N 0 0 316.426 3.860 50 0 DHAARN CCC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 ZINC000000132559 180703992 /nfs/dbraw/zinc/70/39/92/180703992.db2.gz QUIXHLVFZQWNCF-UHFFFAOYSA-N 0 0 324.332 3.784 50 0 biogenic DHAARN CN(Cc1nccs1)C(=O)CCCc1ccc(Cl)cc1 ZINC000072458871 191172199 /nfs/dbraw/zinc/17/21/99/191172199.db2.gz MAADWQIBIJBGEH-UHFFFAOYSA-N 0 0 308.834 3.778 50 0 DHAARN CCOC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000000146052 180707835 /nfs/dbraw/zinc/70/78/35/180707835.db2.gz HNFCURPVNKMURD-UHFFFAOYSA-N 0 0 303.745 3.769 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000000147239 180708299 /nfs/dbraw/zinc/70/82/99/180708299.db2.gz BGCAVRGCDHDNFL-PKNBQFBNSA-N 0 0 311.381 3.973 50 0 DHAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C)c(C)c2)c1 ZINC000000148403 180708918 /nfs/dbraw/zinc/70/89/18/180708918.db2.gz JJXNZHTUYDWHTB-UHFFFAOYSA-N 0 0 311.381 3.716 50 0 DHAARN Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccccc1F ZINC000000157693 180711054 /nfs/dbraw/zinc/71/10/54/180711054.db2.gz BPQCKSHEXKCEEB-UHFFFAOYSA-N 0 0 310.332 3.870 50 0 DHAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000000165759 180712906 /nfs/dbraw/zinc/71/29/06/180712906.db2.gz JPRADYWRQUBOIS-UHFFFAOYSA-N 0 0 309.074 3.558 50 0 DHAARN Cc1cc2nc(C(C)C)cc(N[C@H](C)c3c(C)n[nH]c3C)n2n1 ZINC000072479025 191179226 /nfs/dbraw/zinc/17/92/26/191179226.db2.gz GVSAIYCBCCCQJZ-LLVKDONJSA-N 0 0 312.421 3.674 50 0 DHAARN Nc1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 ZINC000000192821 180721205 /nfs/dbraw/zinc/72/12/05/180721205.db2.gz KAGIPMHZPFSVQY-UHFFFAOYSA-N 0 0 313.165 3.806 50 0 DHAARN NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1F ZINC000000195602 180721619 /nfs/dbraw/zinc/72/16/19/180721619.db2.gz MNDFVVBPJOXJHJ-SILNSSARSA-N 0 0 316.719 3.557 50 0 DHAARN Cc1cc(C)n2cc(CSc3nc4ccccc4[nH]3)nc2n1 ZINC000000193602 180721644 /nfs/dbraw/zinc/72/16/44/180721644.db2.gz UCEAVMWUVPVZOO-UHFFFAOYSA-N 0 0 309.398 3.515 50 0 DHAARN COc1ccccc1-n1c(C)nc(=O)c(-c2ccccc2)c1C ZINC000000204451 180724766 /nfs/dbraw/zinc/72/47/66/180724766.db2.gz MGTYJLTVYSOGHR-UHFFFAOYSA-N 0 0 306.365 3.525 50 0 DHAARN Cc1cc(C)c(NC(=O)c2cc3ccccc3c(=O)o2)c(C)c1 ZINC000000204864 180724808 /nfs/dbraw/zinc/72/48/08/180724808.db2.gz ZYJVQIMQTTUSNW-UHFFFAOYSA-N 0 0 307.349 3.971 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)c2cccc(OCC)c2)cc1 ZINC000000266723 180742430 /nfs/dbraw/zinc/74/24/30/180742430.db2.gz CYZFLKIMPGRJIE-UHFFFAOYSA-N 0 0 313.353 3.514 50 0 DHAARN CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(OC)cc1 ZINC000000272953 180744671 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/nfs/dbraw/zinc/04/30/02/181043002.db2.gz UFMKOVATKIVMRP-CYBMUJFWSA-N 0 0 301.386 3.739 50 0 DHAARN Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1C ZINC000003607405 181040009 /nfs/dbraw/zinc/04/00/09/181040009.db2.gz RZABOZGJZRWVIG-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN COc1ccc(OCCCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000003611328 181040576 /nfs/dbraw/zinc/04/05/76/181040576.db2.gz HBABERZESZYWMC-UHFFFAOYSA-N 0 0 321.323 3.771 50 0 DHAARN C[C@H](/C=C/c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O ZINC000003871818 181050660 /nfs/dbraw/zinc/05/06/60/181050660.db2.gz UAIYNMRLUHHRMF-BTDICHCPSA-N 0 0 316.332 3.790 50 0 in-vitro DHAARN CN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1CCc1ccccc1 ZINC000003884031 181052304 /nfs/dbraw/zinc/05/23/04/181052304.db2.gz ISPQSQMCJJXWFH-IRXDYDNUSA-N 0 0 321.342 3.888 50 0 DHAARN Clc1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC000003887559 181052954 /nfs/dbraw/zinc/05/29/54/181052954.db2.gz GSWYONCRUIWTTH-UHFFFAOYSA-N 0 0 307.850 3.819 50 0 DHAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000003901755 181055046 /nfs/dbraw/zinc/05/50/46/181055046.db2.gz SBCMJKRWCSBOEA-QGZVFWFLSA-N 0 0 323.436 3.935 50 0 DHAARN COc1ccc(-c2nc3ccccn3c2NC(=O)C(C)C)cc1 ZINC000003906455 181055906 /nfs/dbraw/zinc/05/59/06/181055906.db2.gz DLHXNUGMKQPWBD-UHFFFAOYSA-N 0 0 309.369 3.604 50 0 DHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000003907614 181056066 /nfs/dbraw/zinc/05/60/66/181056066.db2.gz WAPZMWBQCGLTIV-VXGBXAGGSA-N 0 0 302.349 3.884 50 0 DHAARN Cn1cc(C=Cc2nnc(-c3ccccc3O)[nH]2)c2ccccc21 ZINC000003906357 181056164 /nfs/dbraw/zinc/05/61/64/181056164.db2.gz GGKFTQKZRCCACA-ZHACJKMWSA-N 0 0 316.364 3.839 50 0 DHAARN CCc1ccccc1NC(=O)c1cc(-c2cccc(O)c2)on1 ZINC000003908309 181056759 /nfs/dbraw/zinc/05/67/59/181056759.db2.gz VGQGTNVENAUVGJ-UHFFFAOYSA-N 0 0 308.337 3.862 50 0 aggregator DHAARN C[C@H](NC(=O)c1cc(-c2ccccc2O)on1)c1ccccc1 ZINC000003908545 181056767 /nfs/dbraw/zinc/05/67/67/181056767.db2.gz OZJRVHZDXNFANG-LBPRGKRZSA-N 0 0 308.337 3.538 50 0 DHAARN 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Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)cc1C ZINC000004224445 181086007 /nfs/dbraw/zinc/08/60/07/181086007.db2.gz XRBNOGKTJOGFJP-UHFFFAOYSA-N 0 0 315.442 3.830 50 0 DHAARN Cc1cc(SCc2ccc(Cl)c(Cl)c2)[nH]c(=O)n1 ZINC000004314813 181096766 /nfs/dbraw/zinc/09/67/66/181096766.db2.gz AKTSYEXFYBXWKB-UHFFFAOYSA-N 0 0 301.198 3.677 50 0 DHAARN CC(C)(C)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O ZINC000004320279 181097467 /nfs/dbraw/zinc/09/74/67/181097467.db2.gz JTQRBGJBVDYTOY-UHFFFAOYSA-N 0 0 321.380 3.575 50 0 DHAARN O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1cccnc1 ZINC000004329777 181098860 /nfs/dbraw/zinc/09/88/60/181098860.db2.gz NMKDMMAYTLKYLZ-SFHVURJKSA-N 0 0 318.380 3.520 50 0 DHAARN CC[C@@]1(C)OC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]21C ZINC000004343228 181100457 /nfs/dbraw/zinc/10/04/57/181100457.db2.gz BVFFIQUSWRYADH-QZTJIDSGSA-N 0 0 314.385 3.569 50 0 DHAARN Fc1ccc(-n2ncc3c2ncnc3NCc2ccccc2)cc1 ZINC000004354645 181101716 /nfs/dbraw/zinc/10/17/16/181101716.db2.gz DZEAVXCPWSHEIT-UHFFFAOYSA-N 0 0 319.343 3.567 50 0 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O=c1sc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000004539519 181121597 /nfs/dbraw/zinc/12/15/97/181121597.db2.gz MEMFPRJMEPDPPR-UHFFFAOYSA-N 0 0 305.786 3.795 50 0 DHAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccco2)N3)C1 ZINC000004543286 181122732 /nfs/dbraw/zinc/12/27/32/181122732.db2.gz SPSULWZFEMMPFP-DRLXOFOESA-N 0 0 314.410 3.661 50 0 DHAARN O=C1c2cccc3cccc(c32)C(=O)N1CCOc1ccccc1 ZINC000004459564 181110805 /nfs/dbraw/zinc/11/08/05/181110805.db2.gz XNQQTZHWRLEUKQ-UHFFFAOYSA-N 0 0 317.344 3.515 50 0 DHAARN CCCC(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000004479432 181113062 /nfs/dbraw/zinc/11/30/62/181113062.db2.gz RMOUGGJKOVQNRR-UHFFFAOYSA-N 0 0 300.145 3.782 50 0 DHAARN COc1cccc(C(=O)Nc2c3nsnc3ccc2Cl)c1 ZINC000004511898 181118281 /nfs/dbraw/zinc/11/82/81/181118281.db2.gz YPCKKJWGVXUKQA-UHFFFAOYSA-N 0 0 319.773 3.606 50 0 DHAARN CCCCOCCCNC(=O)c1ccc(-c2ccco2)cc1 ZINC000004575987 181126051 /nfs/dbraw/zinc/12/60/51/181126051.db2.gz XLHFMAQUERPURV-UHFFFAOYSA-N 0 0 301.386 3.883 50 0 DHAARN Cc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1 ZINC000004570720 181126306 /nfs/dbraw/zinc/12/63/06/181126306.db2.gz LIAFLKQFVXORIX-UHFFFAOYSA-N 0 0 312.394 3.684 50 0 DHAARN COc1ccccc1C1=N/C(=C\c2ccccc2Cl)C(=O)O1 ZINC000004589609 181128209 /nfs/dbraw/zinc/12/82/09/181128209.db2.gz OTVAPLQIFPJVET-UVTDQMKNSA-N 0 0 313.740 3.693 50 0 DHAARN CCOC(=O)c1c2c(sc1NC(=O)C(C)C)CCCCC2 ZINC000004611417 181129192 /nfs/dbraw/zinc/12/91/92/181129192.db2.gz DWGDIBPQZBDPPM-UHFFFAOYSA-N 0 0 309.431 3.788 50 0 DHAARN O=C(OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000004547851 181123370 /nfs/dbraw/zinc/12/33/70/181123370.db2.gz LSDNYZKLTSRRSE-UHFFFAOYSA-N 0 0 318.372 3.666 50 0 DHAARN Cc1c(F)cccc1NS(=O)(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004694125 181137899 /nfs/dbraw/zinc/13/78/99/181137899.db2.gz XSIVJUOJADEGRE-UHFFFAOYSA-N 0 0 323.433 3.845 50 0 DHAARN Brc1ccc(-c2noc(-c3ccncc3)n2)cc1 ZINC000004675811 181135281 /nfs/dbraw/zinc/13/52/81/181135281.db2.gz MTNRGCHDDWXKMM-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN C[C@H](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1CCCCC1 ZINC000004690984 181137133 /nfs/dbraw/zinc/13/71/33/181137133.db2.gz DKXIVGVTWYAFDZ-ZDUSSCGKSA-N 0 0 320.408 3.629 50 0 DHAARN CC(C)CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000004704368 181139919 /nfs/dbraw/zinc/13/99/19/181139919.db2.gz RTSDDNPJCQJJPA-UHFFFAOYSA-N 0 0 309.822 3.767 50 0 DHAARN c1c(CN2CCc3ccccc32)onc1-c1ccc2c(c1)OCO2 ZINC000004709950 181140334 /nfs/dbraw/zinc/14/03/34/181140334.db2.gz DNRGVKLWUCHTTK-UHFFFAOYSA-N 0 0 320.348 3.633 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)C(=O)c1c[nH]c2ccccc12 ZINC000004772176 181150526 /nfs/dbraw/zinc/15/05/26/181150526.db2.gz OCVCKIOIWIJRTR-UHFFFAOYSA-N 0 0 316.719 3.782 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)CSc3ccccc3)c2c1 ZINC000004783619 181151887 /nfs/dbraw/zinc/15/18/87/181151887.db2.gz XDFQCALUSUQMBD-UHFFFAOYSA-N 0 0 324.449 3.927 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000004826556 181157928 /nfs/dbraw/zinc/15/79/28/181157928.db2.gz XXXRYHXPCRBSDE-UHFFFAOYSA-N 0 0 323.392 3.588 50 0 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O=C(CCC1CCCCC1)NCc1nc(-c2ccccc2)no1 ZINC000004943791 181177008 /nfs/dbraw/zinc/17/70/08/181177008.db2.gz RKSRFTISQZQIDW-UHFFFAOYSA-N 0 0 313.401 3.713 50 0 DHAARN CC(C)(Br)C(=O)Nc1ccc(Br)cc1 ZINC000074941583 191392892 /nfs/dbraw/zinc/39/28/92/191392892.db2.gz ZZMKIPQXIAJQMA-UHFFFAOYSA-N 0 0 321.012 3.561 50 0 DHAARN CC[C@H]1COC(c2cccn2Cc2ccc(F)cc2Cl)=N1 ZINC000004970592 181181261 /nfs/dbraw/zinc/18/12/61/181181261.db2.gz SROIIFQIBBXWAP-ZDUSSCGKSA-N 0 0 306.768 3.884 50 0 DHAARN CCOc1c(F)cccc1C(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000074952603 191394334 /nfs/dbraw/zinc/39/43/34/191394334.db2.gz GLAKFOFRFCVWRJ-ZDUSSCGKSA-N 0 0 316.376 3.843 50 0 DHAARN CCCNc1nnc(SCCN(C)c2ccccc2)s1 ZINC000075109705 191419372 /nfs/dbraw/zinc/41/93/72/191419372.db2.gz CXCKIIJHTSADOS-UHFFFAOYSA-N 0 0 308.476 3.589 50 0 DHAARN Cc1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN23)cc1 ZINC000075403013 191471476 /nfs/dbraw/zinc/47/14/76/191471476.db2.gz MNEGWBBJBVOJJQ-ZWKOTPCHSA-N 0 0 310.372 3.644 50 0 DHAARN CCC(=O)N[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000004998173 181187257 /nfs/dbraw/zinc/18/72/57/181187257.db2.gz ITJUZXFJWLTAGB-NSHDSACASA-N 0 0 301.390 3.621 50 0 DHAARN Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cccs3)n2)c1 ZINC000004998326 181187452 /nfs/dbraw/zinc/18/74/52/181187452.db2.gz JHTVLYFHDFWSDQ-LLVKDONJSA-N 0 0 313.382 3.598 50 0 DHAARN Cc1c(C(=O)Cn2cnc3ccccc32)c2ccccc2n1C ZINC000004999359 181188148 /nfs/dbraw/zinc/18/81/48/181188148.db2.gz ZFWXDETXFSQQSQ-UHFFFAOYSA-N 0 0 303.365 3.719 50 0 DHAARN CCC(=O)Nc1cc(-c2cc3ccccc3oc2=O)ccc1OC ZINC000005027966 181192804 /nfs/dbraw/zinc/19/28/04/181192804.db2.gz SSAAOTGIECNAOY-UHFFFAOYSA-N 0 0 323.348 3.817 50 0 DHAARN C[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000005047446 181196214 /nfs/dbraw/zinc/19/62/14/181196214.db2.gz KKMKFXQJFZBTKW-LURJTMIESA-N 0 0 304.202 3.688 50 0 DHAARN C=CSc1ccccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000005032477 181193744 /nfs/dbraw/zinc/19/37/44/181193744.db2.gz WKPWXSWPTPZRNW-OAHLLOKOSA-N 0 0 313.378 3.701 50 0 DHAARN 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193449518 /nfs/dbraw/zinc/44/95/18/193449518.db2.gz VBIICLHCTBGREM-CQSZACIVSA-N 0 0 309.196 3.501 50 0 DHAARN CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)o1 ZINC000095961158 193460028 /nfs/dbraw/zinc/46/00/28/193460028.db2.gz RAEPBLQCNFYILE-BXKDBHETSA-N 0 0 322.434 3.578 50 0 DHAARN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CC1(Cl)Cl ZINC000095961220 193460346 /nfs/dbraw/zinc/46/03/46/193460346.db2.gz LQUSKXJRXMOBKS-XWUBHJNHSA-N 0 0 312.240 3.973 50 0 DHAARN O=C(NCC(F)(F)F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000095961421 193461142 /nfs/dbraw/zinc/46/11/42/193461142.db2.gz CMGCQWDLLPNWBM-UWVGGRQHSA-N 0 0 312.118 3.775 50 0 DHAARN Cn1cc(NC(=O)CCCc2cc(Cl)sc2Cl)cn1 ZINC000095964737 193462513 /nfs/dbraw/zinc/46/25/13/193462513.db2.gz BFBURIBDKVFCOK-UHFFFAOYSA-N 0 0 318.229 3.750 50 0 DHAARN CCOC(=O)CCCSc1cccc(Br)c1 ZINC000096024771 193491032 /nfs/dbraw/zinc/49/10/32/193491032.db2.gz JDRGFVUVROZHAA-UHFFFAOYSA-N 0 0 303.221 3.885 50 0 DHAARN CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@@H](CO)C3)o2)c1 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O=C(NCCC1=CCCCC1)c1ccc(Cn2cccn2)cc1 ZINC000008705691 181575716 /nfs/dbraw/zinc/57/57/16/181575716.db2.gz HMNVCWIJGXKDKS-UHFFFAOYSA-N 0 0 309.413 3.552 50 0 DHAARN CC(C)n1c(SCc2ccccn2)nc2ccccc2c1=O ZINC000008720383 181578774 /nfs/dbraw/zinc/57/87/74/181578774.db2.gz JMAICARAZPGULX-UHFFFAOYSA-N 0 0 311.410 3.665 50 0 DHAARN Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1ccco1 ZINC000008726614 181579692 /nfs/dbraw/zinc/57/96/92/181579692.db2.gz BYVFRTRCWLBCRN-CQSZACIVSA-N 0 0 308.381 3.865 50 0 DHAARN O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccccc1 ZINC000008734242 181581169 /nfs/dbraw/zinc/58/11/69/181581169.db2.gz FRUYVANTTBHHOW-UHFFFAOYSA-N 0 0 324.355 3.730 50 0 DHAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)c1ccccn1 ZINC000008746355 181582541 /nfs/dbraw/zinc/58/25/41/181582541.db2.gz ORHPZINPJXXSAY-UHFFFAOYSA-N 0 0 320.377 3.710 50 0 DHAARN CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC(C)(C)O3 ZINC000008764961 181584063 /nfs/dbraw/zinc/58/40/63/181584063.db2.gz MBCCFAAVLAZPSG-UHFFFAOYSA-N 0 0 300.354 3.798 50 0 biogenic DHAARN 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305.381 3.849 50 0 DHAARN C/C=C/c1cc(C(=O)Nc2ncccc2C)cc(OC)c1OC ZINC000009118336 181602705 /nfs/dbraw/zinc/60/27/05/181602705.db2.gz XJMZBSGJJIMHCP-FNORWQNLSA-N 0 0 312.369 3.693 50 0 DHAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C3CC3)ccc1O2 ZINC000009134968 181603085 /nfs/dbraw/zinc/60/30/85/181603085.db2.gz WFQDBJVFKSJEBA-UHFFFAOYSA-N 0 0 308.337 3.702 50 0 DHAARN Cc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1F ZINC000009725356 181638288 /nfs/dbraw/zinc/63/82/88/181638288.db2.gz UKPHZHGOWKIUCD-JTQLQIEISA-N 0 0 308.303 3.851 50 0 DHAARN C[C@H](Nc1ccc2c(c1)OCO2)c1nnc(-c2ccccc2)o1 ZINC000009944346 181648679 /nfs/dbraw/zinc/64/86/79/181648679.db2.gz BDNAUVXIFVZGPT-NSHDSACASA-N 0 0 309.325 3.638 50 0 DHAARN O=C(NCCc1cccs1)Nc1nc2ccccc2s1 ZINC000009975361 181650270 /nfs/dbraw/zinc/65/02/70/181650270.db2.gz NSQOSBQVERYRPI-UHFFFAOYSA-N 0 0 303.412 3.722 50 0 DHAARN C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1Cl ZINC000010402516 181669074 /nfs/dbraw/zinc/66/90/74/181669074.db2.gz FIOLDCUATSTXJG-LLVKDONJSA-N 0 0 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C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1cccs1 ZINC000017842333 182086799 /nfs/dbraw/zinc/08/67/99/182086799.db2.gz XQKSUZCCCAIZQO-VIFPVBQESA-N 0 0 313.781 3.797 50 0 DHAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC(C)C ZINC000017301334 182082159 /nfs/dbraw/zinc/08/21/59/182082159.db2.gz DFHAFFCNFLNZCW-UHFFFAOYSA-N 0 0 324.833 3.822 50 0 DHAARN O=C(OCc1ccccc1Cl)c1cc(Br)c[nH]1 ZINC000019357967 182117976 /nfs/dbraw/zinc/11/79/76/182117976.db2.gz PLMZRUDVFSUASF-UHFFFAOYSA-N 0 0 314.566 3.788 50 0 DHAARN COc1cc(C)c(NC(=O)CCc2ccccc2F)cc1OC ZINC000019596537 182133132 /nfs/dbraw/zinc/13/31/32/182133132.db2.gz BRYMLHKYXSVBCI-UHFFFAOYSA-N 0 0 317.360 3.723 50 0 DHAARN CC(C)(C)c1cc(CN2CCOCC2)cc(C(C)(C)C)c1O ZINC000019634618 182134482 /nfs/dbraw/zinc/13/44/82/182134482.db2.gz KWGUJRCPGGSTKB-UHFFFAOYSA-N 0 0 305.462 3.819 50 0 DHAARN Cc1oc(-c2cccc3ccccc32)nc1CN1CCOCC1 ZINC000019771131 182145357 /nfs/dbraw/zinc/14/53/57/182145357.db2.gz XYDJCTOQDYLIDR-UHFFFAOYSA-N 0 0 308.381 3.635 50 0 DHAARN CC(C)c1ccc(O[C@H](C)C(=O)Nc2cc(N)ccc2F)cc1 ZINC000019736634 182140936 /nfs/dbraw/zinc/14/09/36/182140936.db2.gz CIIDOMZFWAGHKH-GFCCVEGCSA-N 0 0 316.376 3.937 50 0 DHAARN Fc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019841235 182155459 /nfs/dbraw/zinc/15/54/59/182155459.db2.gz UXYCTAFTGMLGNE-UHFFFAOYSA-N 0 0 318.823 3.797 50 0 DHAARN Cc1nc(NCc2ccc(-c3ccc(F)c(Cl)c3)o2)n[nH]1 ZINC000019796843 182151039 /nfs/dbraw/zinc/15/10/39/182151039.db2.gz QGSJQRIMTNWLMK-UHFFFAOYSA-N 0 0 306.728 3.778 50 0 DHAARN CCCC(=O)Nc1ccc(-c2cccc(-c3cc[nH]n3)c2)cn1 ZINC000019810317 182152977 /nfs/dbraw/zinc/15/29/77/182152977.db2.gz DBENKGPNKUUYKI-UHFFFAOYSA-N 0 0 306.369 3.877 50 0 DHAARN Fc1ccccc1Cc1nnc2sc(-c3ccccc3)nn12 ZINC000019909976 182163804 /nfs/dbraw/zinc/16/38/04/182163804.db2.gz AHECAPNRDLDVMS-UHFFFAOYSA-N 0 0 310.357 3.583 50 0 DHAARN C(=C/[C@H]1CC=CCC1)\c1nn2c(nnc2-c2ccncc2)s1 ZINC000019898840 182161428 /nfs/dbraw/zinc/16/14/28/182161428.db2.gz SEOIQXIJHIWXES-SYTKJHMZSA-N 0 0 309.398 3.617 50 0 DHAARN CCCn1c2ccccc2n(CCOc2ccc(F)cc2)c1=N ZINC000019950086 182169656 /nfs/dbraw/zinc/16/96/56/182169656.db2.gz SLFDADBBLPZUMG-UHFFFAOYSA-N 0 0 313.376 3.550 50 0 DHAARN Cc1cc(CSc2nnc3sc4ccccc4n23)no1 ZINC000020054195 182184287 /nfs/dbraw/zinc/18/42/87/182184287.db2.gz JMEHPNLJUGRZNY-UHFFFAOYSA-N 0 0 302.384 3.533 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccc(F)cc3)c2c1 ZINC000020100128 182185898 /nfs/dbraw/zinc/18/58/98/182185898.db2.gz ASCDBNTVRHZMQL-WEVVVXLNSA-N 0 0 322.383 3.988 50 0 DHAARN CCc1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c1C ZINC000020095068 182186188 /nfs/dbraw/zinc/18/61/88/182186188.db2.gz BIFSOQLJOUAFCR-UHFFFAOYSA-N 0 0 309.822 3.665 50 0 DHAARN c1csc(CN2CCO[C@@H](Cc3cccc4ccccc43)C2)n1 ZINC000020294625 182203674 /nfs/dbraw/zinc/20/36/74/182203674.db2.gz XDOOJUHKOVKTKH-KRWDZBQOSA-N 0 0 324.449 3.740 50 0 DHAARN COc1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1C ZINC000097681874 193747307 /nfs/dbraw/zinc/74/73/07/193747307.db2.gz XVLHYDUDUQPRAL-UHFFFAOYSA-N 0 0 310.397 3.692 50 0 DHAARN C[C@@H]1CCCN(C(=O)COc2cccc(Cl)c2Cl)C1 ZINC000020569945 182234210 /nfs/dbraw/zinc/23/42/10/182234210.db2.gz CNAUPRRMNFNVFJ-SNVBAGLBSA-N 0 0 302.201 3.631 50 0 DHAARN C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 ZINC000020551187 182230273 /nfs/dbraw/zinc/23/02/73/182230273.db2.gz DXUCNRAAQRCDIF-GFCCVEGCSA-N 0 0 324.380 3.787 50 0 DHAARN CC[C@@H](C)n1c2nc(C)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615670 182239614 /nfs/dbraw/zinc/23/96/14/182239614.db2.gz LITCEIIMFZNOCI-SSDOTTSWSA-N 0 0 317.336 3.752 50 0 DHAARN Clc1cccc(-n2ncc3c2ncnc3NC2CCCC2)c1 ZINC000020662064 182242326 /nfs/dbraw/zinc/24/23/26/182242326.db2.gz KPQFJGQVQWOSGS-UHFFFAOYSA-N 0 0 313.792 3.823 50 0 DHAARN CC(=O)c1cccc(NC(=O)Cn2ccc3ccc(F)cc32)c1 ZINC000020714635 182242671 /nfs/dbraw/zinc/24/26/71/182242671.db2.gz QUIOPTBIHKDCLG-UHFFFAOYSA-N 0 0 310.328 3.622 50 0 DHAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)c2c[nH]nc2N1 ZINC000020715423 182242764 /nfs/dbraw/zinc/24/27/64/182242764.db2.gz KTUBNADSJKRVLT-LLVKDONJSA-N 0 0 313.304 3.853 50 0 DHAARN CCC(=O)NCc1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000020601062 182236672 /nfs/dbraw/zinc/23/66/72/182236672.db2.gz PAKSJUBDIALYNJ-UHFFFAOYSA-N 0 0 305.381 3.770 50 0 DHAARN CCCn1nc(C)c2c1nc(-c1ccn(C)n1)cc2C(F)(F)F ZINC000020604978 182237164 /nfs/dbraw/zinc/23/71/64/182237164.db2.gz IXXYLMSXSQEVCP-UHFFFAOYSA-N 0 0 323.322 3.569 50 0 DHAARN C/C(=C\c1ccccc1)C(=O)Nc1cc(=O)oc2ccccc12 ZINC000020763056 182246999 /nfs/dbraw/zinc/24/69/99/182246999.db2.gz RFMCTOVKIPJYIV-ACCUITESSA-N 0 0 305.333 3.835 50 0 biogenic DHAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000020851147 182249486 /nfs/dbraw/zinc/24/94/86/182249486.db2.gz GQXZMRCLVVTMMJ-AWEZNQCLSA-N 0 0 314.385 3.755 50 0 DHAARN COCCCNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000020895907 182252359 /nfs/dbraw/zinc/25/23/59/182252359.db2.gz YSZUNNNJEMOLQP-ZDUSSCGKSA-N 0 0 309.475 3.665 50 0 DHAARN COc1ccc(CNC(=O)c2ncoc2-c2cccc(C)c2)cc1 ZINC000021044621 182262912 /nfs/dbraw/zinc/26/29/12/182262912.db2.gz MLHXBWYRMFNDTQ-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN COc1ccccc1CNC(=O)c1ncoc1-c1cccc(C)c1 ZINC000021044658 182263129 /nfs/dbraw/zinc/26/31/29/182263129.db2.gz SIDCWBIDRUGILW-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN C[C@@H]1CN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@H](C)O1 ZINC000020938345 182256302 /nfs/dbraw/zinc/25/63/02/182256302.db2.gz DODVCGJPKJZHMA-TXEJJXNPSA-N 0 0 306.793 3.604 50 0 DHAARN Cc1cc(NC(=O)C[C@@H](C)n2cccn2)ccc1Br ZINC000020990897 182257542 /nfs/dbraw/zinc/25/75/42/182257542.db2.gz INYFAAGSLRRDDB-LLVKDONJSA-N 0 0 322.206 3.544 50 0 DHAARN O=C(C[C@@H](c1cccs1)n1cccc1)NC1CCCCC1 ZINC000020997009 182257923 /nfs/dbraw/zinc/25/79/23/182257923.db2.gz UKPOSPAZUHRNQA-HNNXBMFYSA-N 0 0 302.443 3.978 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)c1ccc2nsnc2c1 ZINC000021096779 182265597 /nfs/dbraw/zinc/26/55/97/182265597.db2.gz HODJJNBYWHNMHO-UHFFFAOYSA-N 0 0 303.774 3.905 50 0 DHAARN Cc1nn(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc12 ZINC000021161294 182267339 /nfs/dbraw/zinc/26/73/39/182267339.db2.gz GYWXGENIYPQJKW-GOSISDBHSA-N 0 0 319.408 3.539 50 0 DHAARN Cc1cccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCC4)c1 ZINC000021151102 182267714 /nfs/dbraw/zinc/26/77/14/182267714.db2.gz VDUNYPQTAVDTLR-UHFFFAOYSA-N 0 0 318.376 3.578 50 0 DHAARN CCOc1ccc(NC(=O)c2ccc3cccc(O)c3n2)cc1 ZINC000021157176 182267816 /nfs/dbraw/zinc/26/78/16/182267816.db2.gz BVTBQLCWQGRNLY-UHFFFAOYSA-N 0 0 308.337 3.591 50 0 DHAARN CCC[C@H](NC(=O)[C@H](C)Sc1ncccn1)c1ccccc1 ZINC000021174266 182268595 /nfs/dbraw/zinc/26/85/95/182268595.db2.gz UUNZHLLBYHWZLV-ZFWWWQNUSA-N 0 0 315.442 3.615 50 0 DHAARN CCC[C@@H](NC(=O)[C@H](C)Sc1nncs1)c1ccccc1 ZINC000021334968 182272012 /nfs/dbraw/zinc/27/20/12/182272012.db2.gz ITNNZWBKWGHTFY-WCQYABFASA-N 0 0 321.471 3.676 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)on1 ZINC000021718969 182285235 /nfs/dbraw/zinc/28/52/35/182285235.db2.gz WDAAWEXQANJMKF-CQSZACIVSA-N 0 0 317.389 3.887 50 0 DHAARN CCCc1cc([C@H]2CCCN2C(=O)c2ccccc2F)no1 ZINC000021719241 182285564 /nfs/dbraw/zinc/28/55/64/182285564.db2.gz VGBKPPZDJCCQCC-MRXNPFEDSA-N 0 0 302.349 3.744 50 0 DHAARN CCc1cc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000021719584 182286655 /nfs/dbraw/zinc/28/66/55/182286655.db2.gz ANFZDCAZTIVWPR-HNNXBMFYSA-N 0 0 318.804 3.797 50 0 DHAARN CCOC(=O)c1c(C)oc2ncnc(NC3CCCCCC3)c21 ZINC000021531607 182279059 /nfs/dbraw/zinc/27/90/59/182279059.db2.gz XKOJSBRRJBSSTH-UHFFFAOYSA-N 0 0 317.389 3.843 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(NC2CCCCCC2)n1 ZINC000021644976 182282313 /nfs/dbraw/zinc/28/23/13/182282313.db2.gz VYAOVIOPCKBHCE-UHFFFAOYSA-N 0 0 313.401 3.941 50 0 DHAARN CCCOC(=O)c1cccc(NC(=O)c2sc(C)nc2C)c1 ZINC000021783983 182288467 /nfs/dbraw/zinc/28/84/67/182288467.db2.gz KBARBOUVSRJJMY-UHFFFAOYSA-N 0 0 318.398 3.579 50 0 DHAARN CCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)no1 ZINC000021791498 182289404 /nfs/dbraw/zinc/28/94/04/182289404.db2.gz VSLSBXMQBCOTOV-MRXNPFEDSA-N 0 0 302.349 3.744 50 0 DHAARN CCn1nccc1[C@@H]1CCCN1C(=O)Nc1cccc(C)c1C ZINC000021791724 182290037 /nfs/dbraw/zinc/29/00/37/182290037.db2.gz FAZUJMULDZRWBA-INIZCTEOSA-N 0 0 312.417 3.889 50 0 DHAARN CC[C@H]1CCc2sc(C(=O)Nc3ncccc3O)cc2C1 ZINC000021901724 182297631 /nfs/dbraw/zinc/29/76/31/182297631.db2.gz HEUKFHQICAKYLA-JTQLQIEISA-N 0 0 302.399 3.616 50 0 DHAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1O ZINC000021720165 182286737 /nfs/dbraw/zinc/28/67/37/182286737.db2.gz BNIYIUDIMCQDLQ-HNNXBMFYSA-N 0 0 316.401 3.849 50 0 DHAARN Cc1cc(-n2c(C)cc(C(=O)NC3CCCCCC3)c2C)no1 ZINC000022019578 182304440 /nfs/dbraw/zinc/30/44/40/182304440.db2.gz RFJMCBCEPUPNTF-UHFFFAOYSA-N 0 0 315.417 3.843 50 0 DHAARN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)C[C@@H]1C=CCC1)CC3 ZINC000022326711 182318534 /nfs/dbraw/zinc/31/85/34/182318534.db2.gz OGGXBZJBHZVPKE-HUUCEWRRSA-N 0 0 308.425 3.806 50 0 DHAARN O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1c1ccccc1 ZINC000022551882 182326494 /nfs/dbraw/zinc/32/64/94/182326494.db2.gz LEBYCTKNXIWWPL-GOSISDBHSA-N 0 0 303.365 3.607 50 0 DHAARN O=C(CCc1ccccc1O)Nc1ccccc1N1CCCC1 ZINC000022741352 182332468 /nfs/dbraw/zinc/33/24/68/182332468.db2.gz PBBPCTLPILGCBX-UHFFFAOYSA-N 0 0 310.397 3.564 50 0 DHAARN CCOc1ccc(C(=O)NCC2(c3cccs3)CC2)cc1 ZINC000022680204 182330680 /nfs/dbraw/zinc/33/06/80/182330680.db2.gz XDEABUSVDJBPKT-UHFFFAOYSA-N 0 0 301.411 3.608 50 0 DHAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cc(C)ccc2C)c1 ZINC000022464113 182321845 /nfs/dbraw/zinc/32/18/45/182321845.db2.gz PTBSBTNXFJSDJZ-CQSZACIVSA-N 0 0 310.397 3.945 50 0 DHAARN O=C(C[C@@H]1C=CCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000022832298 182336848 /nfs/dbraw/zinc/33/68/48/182336848.db2.gz FAJMXGRNIPWXIG-CQSZACIVSA-N 0 0 307.397 3.535 50 0 DHAARN COc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000023232855 182353545 /nfs/dbraw/zinc/35/35/45/182353545.db2.gz DFWASWZAVMQRNV-JTQLQIEISA-N 0 0 302.296 3.501 50 0 DHAARN CCc1noc(C)c1C(=O)N1CCCSc2ccccc21 ZINC000023268453 182355713 /nfs/dbraw/zinc/35/57/13/182355713.db2.gz RKILWZXPMMOSLH-UHFFFAOYSA-N 0 0 302.399 3.688 50 0 DHAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2cnccn2)c1 ZINC000023042012 182345610 /nfs/dbraw/zinc/34/56/10/182345610.db2.gz AMWCGERRRUMVOD-UHFFFAOYSA-N 0 0 303.365 3.632 50 0 DHAARN Cc1ccc(OCCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000023077798 182347191 /nfs/dbraw/zinc/34/71/91/182347191.db2.gz YONCOPPMCMWXFZ-CYBMUJFWSA-N 0 0 319.351 3.920 50 0 DHAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)NC1CCCCC1 ZINC000023077511 182347228 /nfs/dbraw/zinc/34/72/28/182347228.db2.gz CWGWWDYLNYLWPV-UHFFFAOYSA-N 0 0 318.417 3.941 50 0 DHAARN Fc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 ZINC000023125438 182349345 /nfs/dbraw/zinc/34/93/45/182349345.db2.gz KRRGCJFLWXDXKN-UHFFFAOYSA-N 0 0 306.300 3.933 50 0 DHAARN Cc1ccc(Nc2nc(NCc3ccco3)nc3n[nH]cc32)cc1 ZINC000023135918 182349866 /nfs/dbraw/zinc/34/98/66/182349866.db2.gz XZILSGXGLCPBKD-UHFFFAOYSA-N 0 0 320.356 3.610 50 0 DHAARN O=C(Nc1nc(C2CC2)cs1)C1(c2ccc(F)cc2)CC1 ZINC000023135216 182350158 /nfs/dbraw/zinc/35/01/58/182350158.db2.gz YDLNFJLPCBKEGS-UHFFFAOYSA-N 0 0 302.374 3.830 50 0 DHAARN Cc1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023384179 182359429 /nfs/dbraw/zinc/35/94/29/182359429.db2.gz IGJWZCWPDIMPPW-IBGZPJMESA-N 0 0 309.409 3.581 50 0 DHAARN Cc1cccc(N[C@H](C)C(=O)Nc2ccnn2C(C)C)c1C ZINC000023416033 182360003 /nfs/dbraw/zinc/36/00/03/182360003.db2.gz OUUNVOIDXJQECP-CQSZACIVSA-N 0 0 300.406 3.520 50 0 DHAARN COc1cccc(Cc2cnc(NC(=O)c3ccco3)s2)c1 ZINC000023488743 182362307 /nfs/dbraw/zinc/36/23/07/182362307.db2.gz WZVITXYJNWDORX-UHFFFAOYSA-N 0 0 314.366 3.588 50 0 DHAARN Cc1cc(-c2c[nH]c([C@@H]3CC(=O)N(CC(C)C)C3)n2)c(C)s1 ZINC000023582022 182363942 /nfs/dbraw/zinc/36/39/42/182363942.db2.gz LNFIVUYEYFYXGD-CYBMUJFWSA-N 0 0 317.458 3.727 50 0 DHAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1cccnc1 ZINC000023646445 182365378 /nfs/dbraw/zinc/36/53/78/182365378.db2.gz BANFOPKJYATCQX-UHFFFAOYSA-N 0 0 310.441 3.968 50 0 DHAARN COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000024230890 182377446 /nfs/dbraw/zinc/37/74/46/182377446.db2.gz VXMJFDBAYLKALZ-KBRIMQKVSA-N 0 0 315.413 3.562 50 0 DHAARN CC(C)[C@@H](NC(=O)c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000023769139 182368325 /nfs/dbraw/zinc/36/83/25/182368325.db2.gz JYOJFPOGGADSIH-QGZVFWFLSA-N 0 0 313.445 3.845 50 0 DHAARN O=C(C1CCOCC1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000098019031 193774469 /nfs/dbraw/zinc/77/44/69/193774469.db2.gz LRAOKTNZEGJBDB-OEIFXAAASA-N 0 0 313.441 3.898 50 0 DHAARN COc1ccccc1[C@@H](C)NC(=O)N1CCc2sccc2C1 ZINC000024749348 182389791 /nfs/dbraw/zinc/38/97/91/182389791.db2.gz GZRJKGLKRZJLHR-GFCCVEGCSA-N 0 0 316.426 3.586 50 0 DHAARN O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)C1CC1 ZINC000024443516 182381071 /nfs/dbraw/zinc/38/10/71/182381071.db2.gz CZEJNVDIBCXFBY-UHFFFAOYSA-N 0 0 321.829 3.693 50 0 DHAARN O=C(COc1ccc(F)cc1F)Nc1nc2ccccc2s1 ZINC000024538232 182382454 /nfs/dbraw/zinc/38/24/54/182382454.db2.gz UBSFWJNHRUSOAK-UHFFFAOYSA-N 0 0 320.320 3.592 50 0 DHAARN O=C(CCc1ccsc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000024649932 182385953 /nfs/dbraw/zinc/38/59/53/182385953.db2.gz ZLZQCAHVYOGRHH-LJQANCHMSA-N 0 0 322.433 3.982 50 0 DHAARN Cc1ccc(Sc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000024990820 182397740 /nfs/dbraw/zinc/39/77/40/182397740.db2.gz YTLCJYCGNMXVHR-UHFFFAOYSA-N 0 0 302.786 3.808 50 0 DHAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccnc(Cl)c1 ZINC000024993253 182398252 /nfs/dbraw/zinc/39/82/52/182398252.db2.gz ADBGJYTXCLEIIW-NSHDSACASA-N 0 0 304.777 3.543 50 0 DHAARN Cc1cc(CN(C)C(=O)c2sc3cccc(F)c3c2C)no1 ZINC000025137608 182402043 /nfs/dbraw/zinc/40/20/43/182402043.db2.gz PHDIYZQASMRYBF-UHFFFAOYSA-N 0 0 318.373 3.917 50 0 DHAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000024817153 182392622 /nfs/dbraw/zinc/39/26/22/182392622.db2.gz ZFZFBYCJBWHINJ-CQSZACIVSA-N 0 0 314.816 3.596 50 0 DHAARN C[C@@H]1CCCC[C@H]1N=C1NN=C(c2ccc(F)cc2)CS1 ZINC000024841558 182393211 /nfs/dbraw/zinc/39/32/11/182393211.db2.gz MSAYIKIXUIWWJA-BXUZGUMPSA-N 0 0 305.422 3.801 50 0 DHAARN C[C@H]1CCCN(Cc2csc(NC(=O)C3CCCCC3)n2)C1 ZINC000024887879 182393940 /nfs/dbraw/zinc/39/39/40/182393940.db2.gz HSEHWURUCNKEBX-ZDUSSCGKSA-N 0 0 321.490 3.894 50 0 DHAARN Cc1nc(NC(=O)c2ccoc2)sc1-c1nccn1C(F)F ZINC000024969114 182396352 /nfs/dbraw/zinc/39/63/52/182396352.db2.gz CPIMVQRWMZBSRG-UHFFFAOYSA-N 0 0 324.312 3.555 50 0 DHAARN CC[C@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000024978855 182396954 /nfs/dbraw/zinc/39/69/54/182396954.db2.gz PHRBRKTYPVZICI-CYBMUJFWSA-N 0 0 323.845 3.812 50 0 DHAARN CC(=O)Nc1ccccc1OCc1noc(-c2ccc(C)cc2)n1 ZINC000025347177 182410284 /nfs/dbraw/zinc/41/02/84/182410284.db2.gz VXTUVIBKDQZKSP-UHFFFAOYSA-N 0 0 323.352 3.582 50 0 DHAARN COc1ccccc1C[C@H]1CCCN1C(=O)/C=C\c1ccco1 ZINC000098055598 193778923 /nfs/dbraw/zinc/77/89/23/193778923.db2.gz GKVYNRNYIBUQAF-BLIJAFNYSA-N 0 0 311.381 3.535 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N(C)C3CCC(C)CC3)cc21 ZINC000025628496 182418587 /nfs/dbraw/zinc/41/85/87/182418587.db2.gz IOJCGLRGPIPYRB-UHFFFAOYSA-N 0 0 315.417 3.997 50 0 DHAARN COc1ccc2nc(C)c(C(=O)N[C@@H]3CCCC[C@H]3C)cc2c1 ZINC000025767521 182422785 /nfs/dbraw/zinc/42/27/85/182422785.db2.gz MZCVRRJRXJOISL-SJKOYZFVSA-N 0 0 312.413 3.860 50 0 DHAARN Cc1ccc2[nH]c(C(=O)NCCC[C@@H]3CCCCO3)cc2c1C ZINC000183464397 335028179 /nfs/dbraw/zinc/02/81/79/335028179.db2.gz CCUZNOJLQQVODX-HNNXBMFYSA-N 0 0 314.429 3.864 50 0 DHAARN C[C@H](c1ccccc1)N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O ZINC000026474585 182443138 /nfs/dbraw/zinc/44/31/38/182443138.db2.gz GCTAARMPVICEKH-HIFRSBDPSA-N 0 0 305.381 3.640 50 0 DHAARN Clc1nc(Cl)c2c(I)cccc2n1 ZINC000026894468 182457586 /nfs/dbraw/zinc/45/75/86/182457586.db2.gz WHHOKNBNQDBGEU-UHFFFAOYSA-N 0 0 324.936 3.541 50 0 DHAARN Cc1n[nH]c(C)c1SCC(=O)Nc1cccc(Cl)c1C ZINC000027756585 182490058 /nfs/dbraw/zinc/49/00/58/182490058.db2.gz PAUBHXRSZXMCNZ-UHFFFAOYSA-N 0 0 309.822 3.719 50 0 DHAARN CC(=O)c1cccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c1 ZINC000028852996 182541610 /nfs/dbraw/zinc/54/16/10/182541610.db2.gz FPUSHRUCMLRLJI-SNVBAGLBSA-N 0 0 318.323 3.607 50 0 DHAARN CC[C@H](C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccccc1 ZINC000029017638 182549109 /nfs/dbraw/zinc/54/91/09/182549109.db2.gz ALQIYPNHLVYUBN-ZDUSSCGKSA-N 0 0 316.788 3.571 50 0 DHAARN Cc1cc(SCc2cn3cccnc3n2)nc2ccccc12 ZINC000029035779 182549298 /nfs/dbraw/zinc/54/92/98/182549298.db2.gz ICLXGCRTVXYNOI-UHFFFAOYSA-N 0 0 306.394 3.878 50 0 DHAARN C[C@H](NC(=O)Nc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000029617173 182572475 /nfs/dbraw/zinc/57/24/75/182572475.db2.gz AXRSHRDNCWMYBG-AWEZNQCLSA-N 0 0 306.369 3.755 50 0 DHAARN c1cc2ncnc(NCCc3cccc4cccnc43)c2s1 ZINC000029627246 182572885 /nfs/dbraw/zinc/57/28/85/182572885.db2.gz CGDSMGRATRHMHR-UHFFFAOYSA-N 0 0 306.394 3.894 50 0 DHAARN Cc1occc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000031127875 182607036 /nfs/dbraw/zinc/60/70/36/182607036.db2.gz WBDVHDAQUIDSHJ-ZDUSSCGKSA-N 0 0 310.353 3.749 50 0 DHAARN Cc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)no1 ZINC000031658605 182619153 /nfs/dbraw/zinc/61/91/53/182619153.db2.gz JFSBRURSDKKGHI-UHFFFAOYSA-N 0 0 320.392 3.774 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000031206577 182608855 /nfs/dbraw/zinc/60/88/55/182608855.db2.gz JIMOBJUOXDBART-UHFFFAOYSA-N 0 0 312.369 3.791 50 0 DHAARN CCOc1ccc(N2C(=O)C[C@@H](Cc3cccc(C)c3)C2=O)cc1 ZINC000100554907 193801101 /nfs/dbraw/zinc/80/11/01/193801101.db2.gz KEVSRQDKHUSGRI-MRXNPFEDSA-N 0 0 323.392 3.516 50 0 DHAARN COc1cc2c(cc1OC)C(=C(Cl)Cl)NC(C)(C)C2 ZINC000100593009 193801798 /nfs/dbraw/zinc/80/17/98/193801798.db2.gz DAPRDMMCWTUOSW-UHFFFAOYSA-N 0 0 302.201 3.732 50 0 DHAARN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H](C)c1cccs1 ZINC000032475894 182644149 /nfs/dbraw/zinc/64/41/49/182644149.db2.gz ZWGMNHRSFJNKKP-QWHCGFSZSA-N 0 0 315.438 3.882 50 0 DHAARN COc1cc(NC(=O)/C=C\c2ccc(C)o2)c(OC)cc1Cl ZINC000032572660 182648363 /nfs/dbraw/zinc/64/83/63/182648363.db2.gz XIEXFPUKTYZFLB-SREVYHEPSA-N 0 0 321.760 3.911 50 0 DHAARN Cc1noc(C)c1OC(=O)[C@H](Cc1ccccc1)C(F)(F)F ZINC000032210717 182637907 /nfs/dbraw/zinc/63/79/07/182637907.db2.gz QBYPVBKYMRBDGK-LBPRGKRZSA-N 0 0 313.275 3.618 50 0 DHAARN COc1ccc2cc(C(=O)Nc3cccc4ncccc43)[nH]c2c1 ZINC000032759480 182660162 /nfs/dbraw/zinc/66/01/62/182660162.db2.gz FSEGGTMLQFCCLV-UHFFFAOYSA-N 0 0 317.348 3.977 50 0 DHAARN O=C(Cc1ccc2c(c1)CCCC2)NCCc1ccc(F)cc1 ZINC000032674214 182654346 /nfs/dbraw/zinc/65/43/46/182654346.db2.gz YRCLJBNNYDURKQ-UHFFFAOYSA-N 0 0 311.400 3.606 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000032738302 182657788 /nfs/dbraw/zinc/65/77/88/182657788.db2.gz PVLQSYDZAWGWLS-ZIAGYGMSSA-N 0 0 323.396 3.516 50 0 DHAARN Cc1ccc2cc(CSc3nnc(N)s3)c(Cl)nc2c1 ZINC000032838677 182670603 /nfs/dbraw/zinc/67/06/03/182670603.db2.gz LWOKOPSXFFKGCF-UHFFFAOYSA-N 0 0 322.846 3.923 50 0 DHAARN O=C1CCc2cc(-c3csc(Nc4ccccn4)n3)ccc2N1 ZINC000032899521 182675691 /nfs/dbraw/zinc/67/56/91/182675691.db2.gz GTYYFJTYZIPEHW-UHFFFAOYSA-N 0 0 322.393 3.833 50 0 DHAARN CCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032900335 182675740 /nfs/dbraw/zinc/67/57/40/182675740.db2.gz WSJALICJVBFFEU-AWEZNQCLSA-N 0 0 310.397 3.868 50 0 DHAARN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cnc2ccccc2n1 ZINC000032810806 182666057 /nfs/dbraw/zinc/66/60/57/182666057.db2.gz WRIPPLRUEWGQPL-RBSFLKMASA-N 0 0 309.413 3.719 50 0 DHAARN CC(C)NC(=O)c1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000032996606 182687225 /nfs/dbraw/zinc/68/72/25/182687225.db2.gz BWPZIARYKFJXFI-UHFFFAOYSA-N 0 0 307.353 3.542 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2ccccc2)no1)c1ccc(F)cc1 ZINC000032913609 182678890 /nfs/dbraw/zinc/67/88/90/182678890.db2.gz FYANSQRGUGRSHO-LBPRGKRZSA-N 0 0 310.328 3.972 50 0 DHAARN C[C@H](NC(=O)C(C)(C)C)c1ccc(OCc2cccnc2)cc1 ZINC000032924680 182681204 /nfs/dbraw/zinc/68/12/04/182681204.db2.gz WVRSWSCBJPSQSW-AWEZNQCLSA-N 0 0 312.413 3.884 50 0 DHAARN O=C(Cc1ccc(F)cc1)Nc1cccc(Oc2cnccn2)c1 ZINC000033136220 182694697 /nfs/dbraw/zinc/69/46/97/182694697.db2.gz CPEZNHGZSYWRGW-UHFFFAOYSA-N 0 0 323.327 3.589 50 0 DHAARN C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)s1 ZINC000033192572 182695888 /nfs/dbraw/zinc/69/58/88/182695888.db2.gz SJYAQRYYDSHCKJ-VIFPVBQESA-N 0 0 320.801 3.963 50 0 DHAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cc(C(C)C)no1 ZINC000033270121 182699111 /nfs/dbraw/zinc/69/91/11/182699111.db2.gz BRFJDCFMSVPFOA-ZDUSSCGKSA-N 0 0 317.389 3.634 50 0 DHAARN COc1cccc(CNC(=O)c2ccc(-c3cccnc3)cc2)c1 ZINC000033282214 182699855 /nfs/dbraw/zinc/69/98/55/182699855.db2.gz UEAATKVPLISPEC-UHFFFAOYSA-N 0 0 318.376 3.687 50 0 biogenic DHAARN CCc1ccccc1NC(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000033286587 182700343 /nfs/dbraw/zinc/70/03/43/182700343.db2.gz HXIKNWBJCBXQLE-BENRWUELSA-N 0 0 311.381 3.918 50 0 DHAARN Cc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)n1 ZINC000033293602 182701237 /nfs/dbraw/zinc/70/12/37/182701237.db2.gz HDCJGWBYBBLTDR-GDNBJRDFSA-N 0 0 310.378 3.627 50 0 DHAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000033086834 182691617 /nfs/dbraw/zinc/69/16/17/182691617.db2.gz QAXSFDSMDOATDI-ZDUSSCGKSA-N 0 0 304.415 3.513 50 0 DHAARN CC1=C([N+](=O)[O-])[C@H](C(Cl)(Cl)Cl)Oc2ccccc21 ZINC000034929372 182745452 /nfs/dbraw/zinc/74/54/52/182745452.db2.gz LOBRWRSKBZDJCS-SNVBAGLBSA-N 0 0 308.548 3.826 50 0 DHAARN C[C@@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1ccco1 ZINC000035239014 182764269 /nfs/dbraw/zinc/76/42/69/182764269.db2.gz DWPBAHXBPDEVPZ-SNVBAGLBSA-N 0 0 300.745 3.972 50 0 DHAARN Cc1nc2nc3c(c(Nc4cccc(Cl)c4)n2n1)CCCC3 ZINC000035508808 182778838 /nfs/dbraw/zinc/77/88/38/182778838.db2.gz PKIVQPBWACVGDG-UHFFFAOYSA-N 0 0 313.792 3.709 50 0 DHAARN COC(=O)c1sc(-c2cccc(Br)c2)cc1N ZINC000036929234 182853167 /nfs/dbraw/zinc/85/31/67/182853167.db2.gz YTJTVXOJLZLQGQ-UHFFFAOYSA-N 0 0 312.188 3.546 50 0 DHAARN COc1cccc2sc(NC(=O)NCc3cccs3)nc21 ZINC000036709300 182836708 /nfs/dbraw/zinc/83/67/08/182836708.db2.gz HTABLJBBXONLOZ-UHFFFAOYSA-N 0 0 319.411 3.688 50 0 DHAARN CCNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 ZINC000037525389 182904362 /nfs/dbraw/zinc/90/43/62/182904362.db2.gz FKJZZUGBJNXMRN-UHFFFAOYSA-N 0 0 302.374 3.640 50 0 DHAARN COc1cc2cccnc2c(NC(=O)NCc2cccs2)c1 ZINC000038490531 183000227 /nfs/dbraw/zinc/00/02/27/183000227.db2.gz FEROLMBNKBADAY-UHFFFAOYSA-N 0 0 313.382 3.627 50 0 DHAARN COC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000038490459 183000382 /nfs/dbraw/zinc/00/03/82/183000382.db2.gz XXNAFEXUDREZLK-UHFFFAOYSA-N 0 0 323.436 3.846 50 0 DHAARN CCCCNC(=O)c1sc(COc2cccc(C)c2)nc1C ZINC000038548413 183002593 /nfs/dbraw/zinc/00/25/93/183002593.db2.gz YXLSPOXFXSJKFH-UHFFFAOYSA-N 0 0 318.442 3.869 50 0 DHAARN O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CC(=O)c2ccccc21 ZINC000038671307 183006300 /nfs/dbraw/zinc/00/63/00/183006300.db2.gz ZRAYMIPMRQGFOX-GFCCVEGCSA-N 0 0 324.361 3.712 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000038833905 183010887 /nfs/dbraw/zinc/01/08/87/183010887.db2.gz ZNUONDWMAPSPFY-UHFFFAOYSA-N 0 0 311.772 3.837 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)NCCCn1ccc2ccccc21 ZINC000040024098 183028392 /nfs/dbraw/zinc/02/83/92/183028392.db2.gz GBGIXIBFRDMTOM-WBVHZDCISA-N 0 0 313.445 3.909 50 0 DHAARN Cc1cc(NC(=O)Cc2ccccc2F)n(-c2ccc(C)cc2)n1 ZINC000040023529 183028493 /nfs/dbraw/zinc/02/84/93/183028493.db2.gz OPMRPWQTKIKXEZ-UHFFFAOYSA-N 0 0 323.371 3.809 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)c2csc(-c3ccco3)n2)o1 ZINC000040052414 183030029 /nfs/dbraw/zinc/03/00/29/183030029.db2.gz MDJXYPSSOKKLGM-JTQLQIEISA-N 0 0 302.355 3.796 50 0 DHAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000040062915 183030477 /nfs/dbraw/zinc/03/04/77/183030477.db2.gz LYMUTGZCGDZZIV-UHFFFAOYSA-N 0 0 309.822 3.664 50 0 DHAARN CC(C)(C)OC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000039086367 183013887 /nfs/dbraw/zinc/01/38/87/183013887.db2.gz UPXBKNVHTILOPR-OAHLLOKOSA-N 0 0 309.381 3.506 50 0 DHAARN Cc1nnc(NN=c2[nH]nc(C)c3ccccc32)c2ccccc12 ZINC000039233944 183015606 /nfs/dbraw/zinc/01/56/06/183015606.db2.gz OVUUVPDVXXNELS-UHFFFAOYSA-N 0 0 316.368 3.629 50 0 DHAARN Cc1cccc(N2C(=O)SC[C@]23c2ccccc2NC3=O)c1 ZINC000039324353 183017034 /nfs/dbraw/zinc/01/70/34/183017034.db2.gz WFSVDIDZBCKCCP-QGZVFWFLSA-N 0 0 310.378 3.516 50 0 DHAARN COc1ccccc1-c1nc(CSc2nccn2C)cs1 ZINC000039586329 183020873 /nfs/dbraw/zinc/02/08/73/183020873.db2.gz OASYJCDUSVUYCG-UHFFFAOYSA-N 0 0 317.439 3.845 50 0 DHAARN O=C(NCc1ccccc1N1CCCC1)Nc1ccccc1F ZINC000039563753 183021087 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/nfs/dbraw/zinc/09/59/24/184095924.db2.gz WEJGXHSGJWEHCX-GXSJLCMTSA-N 0 0 308.353 3.767 50 0 DHAARN Cc1cc(CN(C)C(=O)CCOc2ccc(C(C)C)cc2)no1 ZINC000058290637 184101099 /nfs/dbraw/zinc/10/10/99/184101099.db2.gz ACUAXZGDNIOSOV-UHFFFAOYSA-N 0 0 316.401 3.534 50 0 DHAARN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCC1 ZINC000058291891 184101616 /nfs/dbraw/zinc/10/16/16/184101616.db2.gz AUBXFSIRVZBZFL-UHFFFAOYSA-N 0 0 319.408 3.501 50 0 DHAARN CN(C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C1CCCC1 ZINC000058309233 184103795 /nfs/dbraw/zinc/10/37/95/184103795.db2.gz DNGNRAIBTLLMFO-UHFFFAOYSA-N 0 0 301.415 3.549 50 0 DHAARN Cc1cc([C@@H](C)NC(=O)Cc2coc(-c3ccccc3)n2)c(C)o1 ZINC000058330132 184106311 /nfs/dbraw/zinc/10/63/11/184106311.db2.gz UHWMWWCROFYGHN-CYBMUJFWSA-N 0 0 324.380 3.971 50 0 DHAARN O=C(Nc1ccc2ccccc2n1)c1c[nH]nc1-c1ccccc1 ZINC000058406549 184114084 /nfs/dbraw/zinc/11/40/84/184114084.db2.gz WHVTVXGWHWRJQC-UHFFFAOYSA-N 0 0 314.348 3.877 50 0 DHAARN CN(CCc1ccncc1)c1ncnc2sc3c(c21)CCCC3 ZINC000058417673 184115380 /nfs/dbraw/zinc/11/53/80/184115380.db2.gz NNPGYWZKRDXUIL-UHFFFAOYSA-N 0 0 324.453 3.644 50 0 DHAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)C1CCCC1 ZINC000058426141 184116502 /nfs/dbraw/zinc/11/65/02/184116502.db2.gz YIQVSBRHNGGVJU-UHFFFAOYSA-N 0 0 312.413 3.923 50 0 DHAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc[nH]3)cc2)n1 ZINC000058550789 184122234 /nfs/dbraw/zinc/12/22/34/184122234.db2.gz MXZALUFEXIZWRR-UHFFFAOYSA-N 0 0 324.409 3.825 50 0 DHAARN CN(C)C(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C ZINC000060318467 184145893 /nfs/dbraw/zinc/14/58/93/184145893.db2.gz XZPOZSNFXMFXNO-UHFFFAOYSA-N 0 0 314.385 3.889 50 0 DHAARN Brc1ccc2n[nH]cc2c1OCc1ccccc1 ZINC000059691274 184139997 /nfs/dbraw/zinc/13/99/97/184139997.db2.gz BMLQCJLQVVXXLD-UHFFFAOYSA-N 0 0 303.159 3.904 50 0 DHAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000059739844 184140689 /nfs/dbraw/zinc/14/06/89/184140689.db2.gz SQKZHHANNSBYCI-HNNXBMFYSA-N 0 0 316.445 3.527 50 0 DHAARN FC(F)(F)COc1cccc(CSc2nncs2)c1 ZINC000059833270 184141628 /nfs/dbraw/zinc/14/16/28/184141628.db2.gz MBSKYXDLKYWBGU-UHFFFAOYSA-N 0 0 306.334 3.772 50 0 DHAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cc[nH]n3)cc2C1 ZINC000060063278 184143731 /nfs/dbraw/zinc/14/37/31/184143731.db2.gz WFMYJRFAHBYARS-LLVKDONJSA-N 0 0 303.431 3.875 50 0 DHAARN C[C@H]1CCc2c(C(=O)N(C[C@H]3CCOC3)C3CC3)csc2C1 ZINC000060550349 184151969 /nfs/dbraw/zinc/15/19/69/184151969.db2.gz ICQFFOTVMGMZNU-QWHCGFSZSA-N 0 0 319.470 3.514 50 0 DHAARN COc1ccc(CCC(=O)Nc2cccc3c2ccn3C)cc1 ZINC000062001309 184200705 /nfs/dbraw/zinc/20/07/05/184200705.db2.gz BHMXNKZTMAWYJJ-UHFFFAOYSA-N 0 0 308.381 3.758 50 0 biogenic DHAARN O=C(c1cc(Cl)cc(Br)c1)N1CCCCC1 ZINC000062064200 184203898 /nfs/dbraw/zinc/20/38/98/184203898.db2.gz RLEPTSJNQXKTIW-UHFFFAOYSA-N 0 0 302.599 3.729 50 0 DHAARN CC(C)(C)c1ccc2cc(C(=O)NO[C@H]3CCCCO3)[nH]c2c1 ZINC000062581561 184244515 /nfs/dbraw/zinc/24/45/15/184244515.db2.gz OOQBRABPLCSXED-INIZCTEOSA-N 0 0 316.401 3.653 50 0 DHAARN CC(C)=CC(=O)Nc1ccccc1CN(C)C(=O)OC(C)(C)C 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ZINC000065114083 184310927 /nfs/dbraw/zinc/31/09/27/184310927.db2.gz DCWAMEPRVGGABY-UHFFFAOYSA-N 0 0 311.316 3.608 50 0 DHAARN Cn1cc2c3c1cccc3CN(C(=O)Nc1cccc(F)c1)CC2 ZINC000065148871 184311430 /nfs/dbraw/zinc/31/14/30/184311430.db2.gz TVLKBTWEIPSUNQ-UHFFFAOYSA-N 0 0 323.371 3.908 50 0 DHAARN OC1(CSc2nnc3sc4ccccc4n23)CCCCC1 ZINC000065169715 184313402 /nfs/dbraw/zinc/31/34/02/184313402.db2.gz PPCLDKRTUXBRFO-UHFFFAOYSA-N 0 0 319.455 3.731 50 0 DHAARN CCN(Cc1ccccc1)C(=O)c1ccc(-c2cccnc2)nc1 ZINC000065173718 184313855 /nfs/dbraw/zinc/31/38/55/184313855.db2.gz JHEFIEBCIMZOBT-UHFFFAOYSA-N 0 0 317.392 3.806 50 0 DHAARN CCSc1ccc(-c2cccc(NC(=O)C3CCC3)c2)nn1 ZINC000065185899 184314090 /nfs/dbraw/zinc/31/40/90/184314090.db2.gz CEUBRZYKFRNUKT-UHFFFAOYSA-N 0 0 313.426 3.994 50 0 DHAARN C[C@@H](NC(=O)c1nc(-c2cccs2)cs1)c1ccncc1 ZINC000065199412 184314240 /nfs/dbraw/zinc/31/42/40/184314240.db2.gz DROBRSLBJVVFEX-SNVBAGLBSA-N 0 0 315.423 3.758 50 0 DHAARN Cc1ccc(NC(=O)Cc2nnc(-c3ccsc3)o2)cc1C 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DHAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccncc1 ZINC000012620255 563804186 /nfs/dbraw/zinc/80/41/86/563804186.db2.gz GEIAJTVAKQOMFM-ZDUSSCGKSA-N 0 0 304.802 3.702 50 0 DHAARN COCCC[C@@H](C)C(=O)N1CCCSc2ccc(F)cc21 ZINC000190443709 563808926 /nfs/dbraw/zinc/80/89/26/563808926.db2.gz FECSEFYGXPKAKO-GFCCVEGCSA-N 0 0 311.422 3.717 50 0 DHAARN Cc1ccc(CC(=O)N(Cc2ccccc2F)C2CC2)s1 ZINC000084205368 563825515 /nfs/dbraw/zinc/82/55/15/563825515.db2.gz ZYCMGRLGDJQJPM-UHFFFAOYSA-N 0 0 303.402 3.929 50 0 DHAARN C[S@@](=O)Cc1cc(NCc2ccccc2F)ccc1Cl ZINC000195559087 563919839 /nfs/dbraw/zinc/91/98/39/563919839.db2.gz GQDOZGBTOWEYQD-HXUWFJFHSA-N 0 0 311.809 3.970 50 0 DHAARN CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002764878 563940698 /nfs/dbraw/zinc/94/06/98/563940698.db2.gz LTLKMXQNLMKDRK-HNNXBMFYSA-N 0 0 309.818 3.770 50 0 DHAARN CSc1ccc([C@H](C)NC(=O)Cc2ccccc2F)cc1 ZINC000031694274 563944680 /nfs/dbraw/zinc/94/46/80/563944680.db2.gz SINNHLHASNTYIA-LBPRGKRZSA-N 0 0 303.402 3.968 50 0 DHAARN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1N ZINC000000082517 563214661 /nfs/dbraw/zinc/21/46/61/563214661.db2.gz RTZDUKYCHAEFFM-UHFFFAOYSA-N 0 0 317.288 3.928 50 0 DHAARN O=C(/C=C/c1cccs1)NC(=O)Nc1ccc(Cl)cc1 ZINC000000171794 563227626 /nfs/dbraw/zinc/22/76/26/563227626.db2.gz IDRMICKNIUSFPQ-BQYQJAHWSA-N 0 0 306.774 3.763 50 0 DHAARN Cc1cccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000000582177 563268057 /nfs/dbraw/zinc/26/80/57/563268057.db2.gz PIOMSDOLFQVTFV-UHFFFAOYSA-N 0 0 303.427 3.578 50 0 DHAARN CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCC1=O ZINC000001394514 563282058 /nfs/dbraw/zinc/28/20/58/563282058.db2.gz RTBLIWRWSBQCLP-HIFRSBDPSA-N 0 0 309.793 3.887 50 0 DHAARN CCCCCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C ZINC000008714646 563349425 /nfs/dbraw/zinc/34/94/25/563349425.db2.gz BAPLEQLDDYYUFY-UHFFFAOYSA-N 0 0 313.463 3.641 50 0 DHAARN CCc1c(C)scc1C(=O)Nc1ccc(OC)cc1OC ZINC000013326317 563380911 /nfs/dbraw/zinc/38/09/11/563380911.db2.gz NRVJQKRCGDYULX-UHFFFAOYSA-N 0 0 305.399 3.888 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)N(C)CCOc1cccc(Cl)c1 ZINC000032863329 563403568 /nfs/dbraw/zinc/40/35/68/563403568.db2.gz ATTBTYYOSHUGCQ-XJKSGUPXSA-N 0 0 324.852 3.939 50 0 DHAARN O=C(Cc1ccccc1Cl)NCCc1cccc(Cl)c1 ZINC000023228791 563419748 /nfs/dbraw/zinc/41/97/48/563419748.db2.gz HKNGKENGHBVZBS-UHFFFAOYSA-N 0 0 308.208 3.895 50 0 DHAARN COc1ccc(NC(=O)c2sccc2Br)cc1 ZINC000047957779 563466101 /nfs/dbraw/zinc/46/61/01/563466101.db2.gz LWPRRZADZDIPKR-UHFFFAOYSA-N 0 0 312.188 3.772 50 0 DHAARN CC[C@@H](C)N(C(=O)c1ccc(NC(C)=O)cc1)C1CCCC1 ZINC000063869783 563485615 /nfs/dbraw/zinc/48/56/15/563485615.db2.gz QFNHGROFSXIRFR-CYBMUJFWSA-N 0 0 302.418 3.828 50 0 DHAARN COc1ccc(C)c(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1 ZINC000097113378 563506414 /nfs/dbraw/zinc/50/64/14/563506414.db2.gz JQBHFEBQWGLSAP-LLVKDONJSA-N 0 0 319.430 3.694 50 0 DHAARN COC(=O)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000000039329 563211573 /nfs/dbraw/zinc/21/15/73/563211573.db2.gz NBAKTODZCDMEAV-UHFFFAOYSA-N 0 0 321.170 3.815 50 0 DHAARN CCc1cccc(C)c1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000000030139 563211266 /nfs/dbraw/zinc/21/12/66/563211266.db2.gz UZUUBMQUNCQMOS-UHFFFAOYSA-N 0 0 313.397 3.756 50 0 DHAARN COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000037395 563211325 /nfs/dbraw/zinc/21/13/25/563211325.db2.gz FVNKTTNFZIEPLK-UHFFFAOYSA-N 0 0 313.378 3.649 50 0 DHAARN C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000049479 563211827 /nfs/dbraw/zinc/21/18/27/563211827.db2.gz JKIAXUYHVXSVCZ-VIFPVBQESA-N 0 0 308.230 3.557 50 0 DHAARN CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000049659 563211860 /nfs/dbraw/zinc/21/18/60/563211860.db2.gz CYCUIDLXUGCHBL-UHFFFAOYSA-N 0 0 323.270 3.883 50 0 DHAARN Cc1sc2nc(SCc3ccccc3)n(C)c(=O)c2c1C ZINC000000051922 563212024 /nfs/dbraw/zinc/21/20/24/563212024.db2.gz WCFFURSZJHAZJV-UHFFFAOYSA-N 0 0 316.451 3.904 50 0 DHAARN CC(C)CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000000052666 563212031 /nfs/dbraw/zinc/21/20/31/563212031.db2.gz SOUAOAUPVHZLHY-UHFFFAOYSA-N 0 0 302.418 3.591 50 0 DHAARN O=C(Nc1ccccc1)c1ccccc1I ZINC000000061524 563212241 /nfs/dbraw/zinc/21/22/41/563212241.db2.gz LJOZMWRYMKECFF-UHFFFAOYSA-N 0 0 323.133 3.544 50 0 in-vitro DHAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000061436 563212270 /nfs/dbraw/zinc/21/22/70/563212270.db2.gz DVHOJVOYQWPNEA-UHFFFAOYSA-N 0 0 322.320 3.631 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2c(C)cccc2C)cc1OC ZINC000000068642 563212913 /nfs/dbraw/zinc/21/29/13/563212913.db2.gz KNWUSLNLUYOTEG-PKNBQFBNSA-N 0 0 311.381 3.973 50 0 biogenic DHAARN COc1ccc(Oc2ncccc2NC(=O)c2ccco2)cc1 ZINC000000084015 563214483 /nfs/dbraw/zinc/21/44/83/563214483.db2.gz SCTCIHDGVJSCHX-UHFFFAOYSA-N 0 0 310.309 3.728 50 0 DHAARN CCOC(=O)c1cnc2c(C)cccc2c1NCc1ccco1 ZINC000000084772 563214547 /nfs/dbraw/zinc/21/45/47/563214547.db2.gz QDOWIAMDIQTEBJ-UHFFFAOYSA-N 0 0 310.353 3.925 50 0 DHAARN CCCc1cc(=O)oc2cc(O[C@H]3CCCCC3=O)ccc12 ZINC000000082682 563214567 /nfs/dbraw/zinc/21/45/67/563214567.db2.gz JQNJXUSTDJYYJZ-INIZCTEOSA-N 0 0 300.354 3.636 50 0 DHAARN O=C(C1=NNC[C@H]1c1cccc2ccccc21)c1ccccc1 ZINC000000085973 563214611 /nfs/dbraw/zinc/21/46/11/563214611.db2.gz VYKHORONHATJQK-SFHVURJKSA-N 0 0 300.361 3.766 50 0 DHAARN COc1cc(Cc2cc(OC)c(C)cc2OC)c(OC)cc1C ZINC000000087241 563215184 /nfs/dbraw/zinc/21/51/84/563215184.db2.gz ZYSPSAUYZWVCEK-UHFFFAOYSA-N 0 0 316.397 3.929 50 0 DHAARN CCOc1ccccc1NC(=O)COc1ccccc1Cl ZINC000000094321 563215707 /nfs/dbraw/zinc/21/57/07/563215707.db2.gz KUDQOWYAPGNOBS-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN CC1(C)C[C@@](CC(=O)N2CCCCC2)(c2ccccc2)CCO1 ZINC000000090290 563215720 /nfs/dbraw/zinc/21/57/20/563215720.db2.gz VSIPOELZYBPSLP-HXUWFJFHSA-N 0 0 315.457 3.916 50 0 DHAARN Cc1cc(OCc2nc(-c3cccnc3)no2)cc(C)c1Cl ZINC000000091990 563215839 /nfs/dbraw/zinc/21/58/39/563215839.db2.gz YLFQOEFNGFOMSZ-UHFFFAOYSA-N 0 0 315.760 3.981 50 0 DHAARN Cc1nn(-c2ccccc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000000091571 563215936 /nfs/dbraw/zinc/21/59/36/563215936.db2.gz PCKPUWXZDWJNMI-UHFFFAOYSA-N 0 0 302.333 3.954 50 0 DHAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1COc2ccccc2O1 ZINC000000101372 563216984 /nfs/dbraw/zinc/21/69/84/563216984.db2.gz SEPYGGYAPIXZOK-CYBMUJFWSA-N 0 0 324.163 3.772 50 0 DHAARN COc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1 ZINC000000106169 563218239 /nfs/dbraw/zinc/21/82/39/563218239.db2.gz CKYGFTRLSWBXNP-UHFFFAOYSA-N 0 0 322.368 3.981 50 0 DHAARN Cc1nn(-c2cc(Cl)cc(Cl)c2)c2oc(=O)cc(C)c12 ZINC000000105387 563218310 /nfs/dbraw/zinc/21/83/10/563218310.db2.gz FWJFMVAVQIAILE-UHFFFAOYSA-N 0 0 309.152 3.902 50 0 DHAARN CC1CCN(Cn2nc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000000111443 563218729 /nfs/dbraw/zinc/21/87/29/563218729.db2.gz MQJVFKGXYQNNPD-UHFFFAOYSA-N 0 0 307.394 3.701 50 0 DHAARN COc1cc2ncnc(Nc3ccc(F)c(F)c3)c2cc1OC ZINC000000116939 563219164 /nfs/dbraw/zinc/21/91/64/563219164.db2.gz XANREZVRQJUAKM-UHFFFAOYSA-N 0 0 317.295 3.669 50 0 DHAARN O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NC3CC3)ncc21 ZINC000000118836 563219891 /nfs/dbraw/zinc/21/98/91/563219891.db2.gz DTVVHUYBDWXUTI-JTQLQIEISA-N 0 0 313.788 3.617 50 0 DHAARN CCOC(=O)c1cc(C)nn1Cc1c(Cl)cccc1Cl ZINC000000127793 563221097 /nfs/dbraw/zinc/22/10/97/563221097.db2.gz UMPBHRQWHDFNIU-UHFFFAOYSA-N 0 0 313.184 3.723 50 0 DHAARN COc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1 ZINC000000130165 563221732 /nfs/dbraw/zinc/22/17/32/563221732.db2.gz MOWLOOWTJLQAKE-UHFFFAOYSA-N 0 0 314.366 3.588 50 0 DHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 ZINC000000137067 563222791 /nfs/dbraw/zinc/22/27/91/563222791.db2.gz CVHAGXMPMIKOKO-VIFPVBQESA-N 0 0 302.201 3.820 50 0 DHAARN Cc1c(C)c(C)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1C ZINC000000139491 563222908 /nfs/dbraw/zinc/22/29/08/563222908.db2.gz SZEVHOOVUOAFRQ-VXGBXAGGSA-N 0 0 323.502 3.895 50 0 DHAARN C[C@@H](NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 ZINC000000146299 563223863 /nfs/dbraw/zinc/22/38/63/563223863.db2.gz DITUNVVCHPBJKX-GFCCVEGCSA-N 0 0 311.410 3.532 50 0 DHAARN Cc1nnsc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000000154123 563225176 /nfs/dbraw/zinc/22/51/76/563225176.db2.gz KRYGPANOZOUCTQ-UHFFFAOYSA-N 0 0 311.366 3.891 50 0 DHAARN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1C ZINC000000168827 563226258 /nfs/dbraw/zinc/22/62/58/563226258.db2.gz OLQHLCXWFPBFDX-UHFFFAOYSA-N 0 0 310.397 3.729 50 0 DHAARN CC1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1 ZINC000000171222 563227008 /nfs/dbraw/zinc/22/70/08/563227008.db2.gz IJOCLPMYJPNAEI-UHFFFAOYSA-N 0 0 305.377 3.770 50 0 DHAARN CSc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1 ZINC000000170664 563227036 /nfs/dbraw/zinc/22/70/36/563227036.db2.gz HQSJEGURFIVSLX-UHFFFAOYSA-N 0 0 309.394 3.847 50 0 DHAARN CSc1cccc(NC(=O)C(=S)NC2CCCCC2)c1 ZINC000000172891 563227582 /nfs/dbraw/zinc/22/75/82/563227582.db2.gz GAOMUURXBLVYKI-UHFFFAOYSA-N 0 0 308.472 3.597 50 0 DHAARN S=C(NCc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 ZINC000000173682 563228069 /nfs/dbraw/zinc/22/80/69/563228069.db2.gz NTFXDMOOCXWCDS-UHFFFAOYSA-N 0 0 320.801 3.555 50 0 DHAARN Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccs1 ZINC000000174123 563228144 /nfs/dbraw/zinc/22/81/44/563228144.db2.gz IQJVHUMELDKVOX-UHFFFAOYSA-N 0 0 310.831 3.837 50 0 DHAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccnc1 ZINC000000182743 563228482 /nfs/dbraw/zinc/22/84/82/563228482.db2.gz OIGLRZFYIUMLOD-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000000183199 563228495 /nfs/dbraw/zinc/22/84/95/563228495.db2.gz LBJKBXOOSSWJNK-NXEZZACHSA-N 0 0 322.257 3.660 50 0 DHAARN Clc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000000205842 563230457 /nfs/dbraw/zinc/23/04/57/563230457.db2.gz MTMRFSNBFQSPRC-UHFFFAOYSA-N 0 0 300.701 3.786 50 0 DHAARN Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C ZINC000000213751 563230871 /nfs/dbraw/zinc/23/08/71/563230871.db2.gz UKLGBCWKISHYIZ-UHFFFAOYSA-N 0 0 309.409 3.990 50 0 DHAARN CC(=O)c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000000214346 563231013 /nfs/dbraw/zinc/23/10/13/563231013.db2.gz SCUMAIOBGWUIBB-VMPITWQZSA-N 0 0 320.436 3.725 50 0 DHAARN COc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1 ZINC000000209790 563231020 /nfs/dbraw/zinc/23/10/20/563231020.db2.gz YMJKWKQWOMYDND-UHFFFAOYSA-N 0 0 322.364 3.836 50 0 DHAARN CC(C)c1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 ZINC000000242904 563232760 /nfs/dbraw/zinc/23/27/60/563232760.db2.gz QJUDJMQXBQEPNK-MRXNPFEDSA-N 0 0 310.397 3.600 50 0 DHAARN CCC(=O)c1ccccc1NN1c2ccccc2C(=O)[C@@]1(C)OC ZINC000000249650 563233454 /nfs/dbraw/zinc/23/34/54/563233454.db2.gz WZIJZEJPGXTRIN-LJQANCHMSA-N 0 0 324.380 3.672 50 0 DHAARN CCc1c(C)sc(NC(=O)c2cccc(F)c2)c1C(=O)OC ZINC000000259018 563233909 /nfs/dbraw/zinc/23/39/09/563233909.db2.gz LKKXIWLRTAMPMQ-UHFFFAOYSA-N 0 0 321.373 3.797 50 0 DHAARN CSc1nc2sc3c(c2c(SC)n1)CC(C)(C)OC3 ZINC000000267208 563234460 /nfs/dbraw/zinc/23/44/60/563234460.db2.gz JMMOIYLVWJFEIS-UHFFFAOYSA-N 0 0 312.485 3.986 50 0 DHAARN COc1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1 ZINC000000277244 563235271 /nfs/dbraw/zinc/23/52/71/563235271.db2.gz HXPDIVBSFYKSIP-FNORWQNLSA-N 0 0 300.339 3.550 50 0 DHAARN COc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1 ZINC000000289961 563236600 /nfs/dbraw/zinc/23/66/00/563236600.db2.gz LGPXXAQJPBXNBJ-UHFFFAOYSA-N 0 0 300.745 3.989 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000000299347 563237909 /nfs/dbraw/zinc/23/79/09/563237909.db2.gz BWOZNAFPUOEJTG-UHFFFAOYSA-N 0 0 311.381 3.835 50 0 DHAARN O=C(COc1ccc(Br)cc1)Nc1ccc(F)cc1 ZINC000000299927 563237969 /nfs/dbraw/zinc/23/79/69/563237969.db2.gz XWBJULLSQGLSEI-UHFFFAOYSA-N 0 0 324.149 3.606 50 0 DHAARN Cc1nc2ccc(NC(=S)N3CCCCCC3)cc2nc1C ZINC000000302527 563237990 /nfs/dbraw/zinc/23/79/90/563237990.db2.gz ZTAIWYQXXKALNF-UHFFFAOYSA-N 0 0 314.458 3.819 50 0 DHAARN O=C(COc1cccc(Br)c1)Nc1ccc(F)cc1 ZINC000000302223 563238074 /nfs/dbraw/zinc/23/80/74/563238074.db2.gz RZKPCPRMSPKOND-UHFFFAOYSA-N 0 0 324.149 3.606 50 0 DHAARN Brc1ccc(OCCn2cnc3ccccc32)cc1 ZINC000000305435 563238575 /nfs/dbraw/zinc/23/85/75/563238575.db2.gz UMYCUXBSIAJNGZ-UHFFFAOYSA-N 0 0 317.186 3.878 50 0 DHAARN CCOc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 ZINC000000309460 563239042 /nfs/dbraw/zinc/23/90/42/563239042.db2.gz DEUIEAVVJRQWBR-UHFFFAOYSA-N 0 0 314.410 3.521 50 0 DHAARN CSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 ZINC000000313594 563239582 /nfs/dbraw/zinc/23/95/82/563239582.db2.gz MPIDBHMGLANZHX-UHFFFAOYSA-N 0 0 315.373 3.536 50 0 DHAARN Cc1ccc(C(=O)Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000000312350 563239769 /nfs/dbraw/zinc/23/97/69/563239769.db2.gz CQGCWGRCRGKMBF-UHFFFAOYSA-N 0 0 309.394 3.741 50 0 DHAARN CSc1nc2sc3c(c2c(=O)n1C)CC[C@@H](C(C)(C)C)C3 ZINC000000315145 563240133 /nfs/dbraw/zinc/24/01/33/563240133.db2.gz MZNPATVWMFZSHC-SECBINFHSA-N 0 0 322.499 3.868 50 0 DHAARN O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccco1 ZINC000000319693 563240962 /nfs/dbraw/zinc/24/09/62/563240962.db2.gz MJFLNVJOJQUPPM-UHFFFAOYSA-N 0 0 321.292 3.842 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(F)cc2)c1 ZINC000000318985 563240966 /nfs/dbraw/zinc/24/09/66/563240966.db2.gz DFFYLCWVJKDADO-UXBLZVDNSA-N 0 0 313.328 3.573 50 0 DHAARN Cc1cc(O)c(NC(=O)COc2ccc(Cl)cc2)cc1C ZINC000000330856 563241408 /nfs/dbraw/zinc/24/14/08/563241408.db2.gz NZCFYQVNCWRNTG-UHFFFAOYSA-N 0 0 305.761 3.680 50 0 DHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000000332762 563241494 /nfs/dbraw/zinc/24/14/94/563241494.db2.gz UYUOVCOCEWUUHB-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN O=C(c1ccc(Br)cc1)N1CCc2ccccc21 ZINC000000335522 563241546 /nfs/dbraw/zinc/24/15/46/563241546.db2.gz BDWKIWDJGLWQDE-UHFFFAOYSA-N 0 0 302.171 3.652 50 0 DHAARN Cc1cc(C)n(C(=O)COc2ccccc2-c2ccccc2)n1 ZINC000000359095 563244181 /nfs/dbraw/zinc/24/41/81/563244181.db2.gz OXQQDKFQRABDQV-UHFFFAOYSA-N 0 0 306.365 3.886 50 0 DHAARN O=C(Oc1ccc(Cl)cc1)c1ccc(Br)o1 ZINC000000358997 563244312 /nfs/dbraw/zinc/24/43/12/563244312.db2.gz HHFZVRUEOLPLGG-UHFFFAOYSA-N 0 0 301.523 3.915 50 0 DHAARN COc1cc(OC)c(NC(=O)c2ccccc2C)cc1Cl ZINC000000363211 563244914 /nfs/dbraw/zinc/24/49/14/563244914.db2.gz SDKYPIJGIUFODW-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000000361962 563244982 /nfs/dbraw/zinc/24/49/82/563244982.db2.gz CDZHDNBFYUZNFY-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN CC(=O)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)OCO2 ZINC000000362981 563244995 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50 0 DHAARN O=C(c1ccoc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219325056 563373423 /nfs/dbraw/zinc/37/34/23/563373423.db2.gz GTJHOZCOCNXTNQ-HNNXBMFYSA-N 0 0 323.364 3.878 50 0 DHAARN Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000012801030 563373779 /nfs/dbraw/zinc/37/37/79/563373779.db2.gz HCACJOVRDYCAQE-UHFFFAOYSA-N 0 0 322.408 3.792 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)NC2CCCCC2)cc1 ZINC000012790006 563373857 /nfs/dbraw/zinc/37/38/57/563373857.db2.gz FZSKNQDGLOMRHV-QGZVFWFLSA-N 0 0 302.418 3.874 50 0 DHAARN CCOc1ccc(CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000012790881 563374018 /nfs/dbraw/zinc/37/40/18/563374018.db2.gz MREWAITYZOABTC-WMLDXEAASA-N 0 0 304.434 3.805 50 0 DHAARN C[C@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000012868437 563374347 /nfs/dbraw/zinc/37/43/47/563374347.db2.gz MLEAYDOYMFPMNW-LBPRGKRZSA-N 0 0 316.788 3.822 50 0 DHAARN COc1cccc(Nc2nc(C(C)C)nc3c(C)nn(C)c32)c1 ZINC000032651033 563374525 /nfs/dbraw/zinc/37/45/25/563374525.db2.gz FWDQEDVIOFFZMF-UHFFFAOYSA-N 0 0 311.389 3.547 50 0 DHAARN C[C@H]1[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)CCC[C@@H]1C ZINC000012901032 563374875 /nfs/dbraw/zinc/37/48/75/563374875.db2.gz NIVFFJPVZVBVHH-PMUMKWKESA-N 0 0 319.470 3.718 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000032667876 563375448 /nfs/dbraw/zinc/37/54/48/563375448.db2.gz GKEYUFNPDDVGIS-ZBEGNZNMSA-N 0 0 317.772 3.815 50 0 DHAARN C[C@@H](OCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 ZINC000032657922 563375585 /nfs/dbraw/zinc/37/55/85/563375585.db2.gz RFIWJWSRACHZON-CQSZACIVSA-N 0 0 317.816 3.604 50 0 DHAARN Cn1cc(C(=O)OCc2ccccc2Oc2ccccc2)cn1 ZINC000012972056 563375746 /nfs/dbraw/zinc/37/57/46/563375746.db2.gz YYTSBJJFQIFHFL-UHFFFAOYSA-N 0 0 308.337 3.569 50 0 DHAARN CC(C)c1ccccc1NC(=O)CCNC(=O)c1ccsc1 ZINC000012976300 563375795 /nfs/dbraw/zinc/37/57/95/563375795.db2.gz XFEPWCPKNOZOCY-UHFFFAOYSA-N 0 0 316.426 3.630 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C)cc1 ZINC000012988076 563376854 /nfs/dbraw/zinc/37/68/54/563376854.db2.gz GENCGURKRBPYER-OAHLLOKOSA-N 0 0 321.467 3.755 50 0 DHAARN CCCCCOc1ccc(S(=O)(=O)N(C)C)c2ccccc12 ZINC000012998443 563376870 /nfs/dbraw/zinc/37/68/70/563376870.db2.gz UEPUGVOZEZHDIZ-UHFFFAOYSA-N 0 0 321.442 3.659 50 0 DHAARN C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000012997994 563376941 /nfs/dbraw/zinc/37/69/41/563376941.db2.gz IGYWFNYMRSDKTD-NSHDSACASA-N 0 0 320.845 3.959 50 0 DHAARN C[C@H]1CCc2c(sc3[nH]cnc(=NN4CCCCC4)c23)C1 ZINC000013071186 563377135 /nfs/dbraw/zinc/37/71/35/563377135.db2.gz UWNXKBZHEFBPNJ-NSHDSACASA-N 0 0 302.447 3.629 50 0 DHAARN CCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013015913 563377408 /nfs/dbraw/zinc/37/74/08/563377408.db2.gz LWIOZVKDGYZPLW-CYBMUJFWSA-N 0 0 317.360 3.939 50 0 DHAARN Cn1ccnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000032693158 563377527 /nfs/dbraw/zinc/37/75/27/563377527.db2.gz SIKYFGPIMCWYIT-UHFFFAOYSA-N 0 0 323.421 3.877 50 0 DHAARN CCN(Cc1ccccc1)C(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000013002066 563377540 /nfs/dbraw/zinc/37/75/40/563377540.db2.gz TWUGPXOVGMDOHW-UHFFFAOYSA-N 0 0 322.412 3.675 50 0 DHAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000013119532 563378219 /nfs/dbraw/zinc/37/82/19/563378219.db2.gz CRZIGQCEMAYOOD-PHIMTYICSA-N 0 0 311.223 3.959 50 0 DHAARN CCCc1cc(C(N)=O)c(NC(=O)c2csc(CC)c2)s1 ZINC000013327067 563380591 /nfs/dbraw/zinc/38/05/91/563380591.db2.gz JQGAGWIHWMHDIJ-UHFFFAOYSA-N 0 0 322.455 3.676 50 0 DHAARN O=C(Nc1ccc2n[nH]cc2c1)c1cc(Br)cs1 ZINC000013324126 563380884 /nfs/dbraw/zinc/38/08/84/563380884.db2.gz YWIUQJHYBIOMJM-UHFFFAOYSA-N 0 0 322.187 3.639 50 0 DHAARN Cc1scc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1C ZINC000013328876 563381367 /nfs/dbraw/zinc/38/13/67/563381367.db2.gz DFQGEQHEXSADCY-JTQLQIEISA-N 0 0 303.383 3.585 50 0 DHAARN COc1cc(NC(=S)Nc2ccccn2)c(OC)cc1Cl ZINC000013497496 563382551 /nfs/dbraw/zinc/38/25/51/563382551.db2.gz ULNMTCWJALNJHV-UHFFFAOYSA-N 0 0 323.805 3.561 50 0 DHAARN CCn1cc(CNC(=S)Nc2cccc3ccccc32)cn1 ZINC000013519917 563382559 /nfs/dbraw/zinc/38/25/59/563382559.db2.gz GITBRWAWESCPAN-UHFFFAOYSA-N 0 0 310.426 3.543 50 0 DHAARN C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cnc2ccccc2c1 ZINC000013578890 563383355 /nfs/dbraw/zinc/38/33/55/563383355.db2.gz WJDIHHDBWYMKOW-GFCCVEGCSA-N 0 0 323.421 3.936 50 0 DHAARN C[C@@H]1CN(C(=S)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000013547398 563383517 /nfs/dbraw/zinc/38/35/17/563383517.db2.gz JOHVJCAYCCJMGW-DTORHVGOSA-N 0 0 304.242 3.778 50 0 DHAARN Fc1cccc(CSc2nnc3c4ccccc4[nH]c3n2)c1 ZINC000013685650 563385514 /nfs/dbraw/zinc/38/55/14/563385514.db2.gz VANDHODXZYMZKE-UHFFFAOYSA-N 0 0 310.357 3.938 50 0 DHAARN CCc1ccc([C@@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000032736331 563388869 /nfs/dbraw/zinc/38/88/69/563388869.db2.gz GYKFVPIFYJTXJL-CQSZACIVSA-N 0 0 324.424 3.627 50 0 DHAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(F)c1 ZINC000032776623 563391295 /nfs/dbraw/zinc/39/12/95/563391295.db2.gz QPXAEQLNMHESSE-KRWDZBQOSA-N 0 0 315.344 3.636 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)cc1 ZINC000032764888 563391300 /nfs/dbraw/zinc/39/13/00/563391300.db2.gz AAKWRHXHBGZJKK-UHFFFAOYSA-N 0 0 312.344 3.735 50 0 DHAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)[C@H]1CC=CCC1 ZINC000032776641 563391582 /nfs/dbraw/zinc/39/15/82/563391582.db2.gz XGPQOWHPUHBKNG-YOEHRIQHSA-N 0 0 301.386 3.539 50 0 DHAARN CC(C)c1nnc2sc(-c3ccccc3Br)nn21 ZINC000013945085 563393257 /nfs/dbraw/zinc/39/32/57/563393257.db2.gz BDNKSFZSLMHTAO-UHFFFAOYSA-N 0 0 323.219 3.739 50 0 DHAARN CCc1ccc(Cl)c(CC)c1NC(=O)Cn1nc(C)cc1C ZINC000013985321 563394005 /nfs/dbraw/zinc/39/40/05/563394005.db2.gz ICNQGXHVUIEKKE-UHFFFAOYSA-N 0 0 319.836 3.917 50 0 DHAARN COc1ccc2[nH]c(SCc3cn4c(cccc4C)n3)nc2c1 ZINC000032778920 563394099 /nfs/dbraw/zinc/39/40/99/563394099.db2.gz KKAWNTVPBHHXKI-UHFFFAOYSA-N 0 0 324.409 3.820 50 0 DHAARN COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000014009117 563394253 /nfs/dbraw/zinc/39/42/53/563394253.db2.gz ORNQLVFUWGFJNC-PTNGSMBKSA-N 0 0 311.362 3.936 50 0 DHAARN Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000032797298 563394636 /nfs/dbraw/zinc/39/46/36/563394636.db2.gz DEURSTBIDMEZMR-NSHDSACASA-N 0 0 324.396 3.794 50 0 DHAARN CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000014050227 563394950 /nfs/dbraw/zinc/39/49/50/563394950.db2.gz BDBWKUYQIRJTBX-UHFFFAOYSA-N 0 0 303.793 3.602 50 0 DHAARN O=C(NCCSCc1cccs1)NCCc1ccccc1 ZINC000032802065 563395226 /nfs/dbraw/zinc/39/52/26/563395226.db2.gz ALOZWRNKKWDKBI-UHFFFAOYSA-N 0 0 320.483 3.523 50 0 DHAARN C[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Br)cc23)C1 ZINC000014111901 563395633 /nfs/dbraw/zinc/39/56/33/563395633.db2.gz VPNDAHHSDDTRQJ-JTQLQIEISA-N 0 0 321.218 3.803 50 0 DHAARN CC(C)Nc1nnc(S[C@H](C)C(=O)c2ccccc2)s1 ZINC000014113193 563396063 /nfs/dbraw/zinc/39/60/63/563396063.db2.gz NDBQFHYDSGPVJH-SNVBAGLBSA-N 0 0 307.444 3.722 50 0 DHAARN CCCn1c(C)cc(C(=O)CSc2nnc(C(C)C)[nH]2)c1C ZINC000014162245 563396773 /nfs/dbraw/zinc/39/67/73/563396773.db2.gz YTLFGBKVNQSVAT-UHFFFAOYSA-N 0 0 320.462 3.731 50 0 DHAARN Cc1nn(C)c2sc(C(=O)NCCC3=CCCCC3)cc12 ZINC000014164054 563397005 /nfs/dbraw/zinc/39/70/05/563397005.db2.gz DEBLYFSKZXMODW-UHFFFAOYSA-N 0 0 303.431 3.564 50 0 DHAARN CC(C)c1nnc(S[C@@H](C)c2nnc(-c3ccccc3)o2)[nH]1 ZINC000014142178 563397024 /nfs/dbraw/zinc/39/70/24/563397024.db2.gz YQFXHENYHDSUSW-JTQLQIEISA-N 0 0 315.402 3.831 50 0 DHAARN CCOc1ccc(OCC)c(NC(=O)c2cc(C)oc2C)c1 ZINC000014190418 563397906 /nfs/dbraw/zinc/39/79/06/563397906.db2.gz NUUIRNSCPTVATL-UHFFFAOYSA-N 0 0 303.358 3.946 50 0 DHAARN Cc1cc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)on1 ZINC000032814186 563398891 /nfs/dbraw/zinc/39/88/91/563398891.db2.gz OOCBFKITADJSJQ-UHFFFAOYSA-N 0 0 311.312 3.932 50 0 DHAARN Cc1ccc(C(=O)NCCc2ccc(OC(F)F)cc2)cc1F ZINC000014242818 563399178 /nfs/dbraw/zinc/39/91/78/563399178.db2.gz NYIPMOUWKZDWFF-UHFFFAOYSA-N 0 0 323.314 3.708 50 0 DHAARN Cc1cc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1F ZINC000032865086 563402989 /nfs/dbraw/zinc/40/29/89/563402989.db2.gz BNYBQIXHMIVWKB-UHFFFAOYSA-N 0 0 323.371 3.624 50 0 DHAARN Cc1ccc(OCc2nnsc2Cl)c2c1[C@@H](C)CC2=O ZINC000032858471 563403084 /nfs/dbraw/zinc/40/30/84/563403084.db2.gz KPKNIKSGEYLQIS-QMMMGPOBSA-N 0 0 308.790 3.769 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000032863295 563403451 /nfs/dbraw/zinc/40/34/51/563403451.db2.gz ITWSQPXRHVCQDU-CZUORRHYSA-N 0 0 324.852 3.939 50 0 DHAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C)cc3)c12 ZINC000032870379 563404608 /nfs/dbraw/zinc/40/46/08/563404608.db2.gz LYGAZZRAEYPMRP-UHFFFAOYSA-N 0 0 307.353 3.969 50 0 DHAARN CCOc1c(C[C@@H]2c3cccc(C)c3NC2=O)cccc1OC ZINC000015017431 563405547 /nfs/dbraw/zinc/40/55/47/563405547.db2.gz PJSABFBCRTVRMS-OAHLLOKOSA-N 0 0 311.381 3.681 50 0 DHAARN Fc1ccc(-c2nn3c(nnc3-c3ccccc3)s2)c(F)c1 ZINC000015082893 563406652 /nfs/dbraw/zinc/40/66/52/563406652.db2.gz FUQAOZSQOREGQO-UHFFFAOYSA-N 0 0 314.320 3.798 50 0 DHAARN CO[C@H]1CCCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 ZINC000015078710 563406791 /nfs/dbraw/zinc/40/67/91/563406791.db2.gz YFOMADQZTNRWMV-HNNXBMFYSA-N 0 0 322.355 3.539 50 0 DHAARN CCCN(Cc1ccccc1)C(=O)c1ccc(NC(C)=O)s1 ZINC000032879253 563407590 /nfs/dbraw/zinc/40/75/90/563407590.db2.gz NOYBGZMMJKBBRY-UHFFFAOYSA-N 0 0 316.426 3.759 50 0 DHAARN COc1ccc(C)cc1NC(=O)CNc1cccc2c1CCCC2 ZINC000015123145 563407712 /nfs/dbraw/zinc/40/77/12/563407712.db2.gz OHHRKLSIJNOIBM-UHFFFAOYSA-N 0 0 324.424 3.933 50 0 DHAARN Cc1csc(CNC(=O)CCc2ccc(C)c(Cl)c2)n1 ZINC000032882257 563407736 /nfs/dbraw/zinc/40/77/36/563407736.db2.gz BOEYTKGIYZWJPU-UHFFFAOYSA-N 0 0 308.834 3.662 50 0 DHAARN O=C(Cc1ccc(F)cc1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000015199060 563408521 /nfs/dbraw/zinc/40/85/21/563408521.db2.gz APVHZVSFCMMPJJ-OAHLLOKOSA-N 0 0 319.376 3.861 50 0 DHAARN CN(Cc1cccs1)c1nn2cc(C(C)(C)C)nc2s1 ZINC000032908978 563410888 /nfs/dbraw/zinc/41/08/88/563410888.db2.gz FELZLRUAVQWHES-UHFFFAOYSA-N 0 0 306.460 3.786 50 0 DHAARN CSc1ccc([C@@H](C)NC(=O)NCc2ccccc2)cc1 ZINC000032912700 563411509 /nfs/dbraw/zinc/41/15/09/563411509.db2.gz HVDDUTXVMTUDOC-CYBMUJFWSA-N 0 0 300.427 3.969 50 0 DHAARN COc1cccc(CO[C@H](C)C(=O)N[C@H](C)c2cccs2)c1 ZINC000032924149 563412748 /nfs/dbraw/zinc/41/27/48/563412748.db2.gz LBULHVGELWKPBA-CHWSQXEVSA-N 0 0 319.426 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Cc1ccc(N2C(=O)C[C@H](Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000084554702 563519712 /nfs/dbraw/zinc/51/97/12/563519712.db2.gz QBYXYSJBOPZARN-KRWDZBQOSA-N 0 0 307.393 3.734 50 0 DHAARN Cc1ccc(C(=O)c2ccccc2CN2CCSCC2)cc1 ZINC000085651626 563521114 /nfs/dbraw/zinc/52/11/14/563521114.db2.gz KQPXKFXIQRJOHX-UHFFFAOYSA-N 0 0 311.450 3.775 50 0 DHAARN O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(F)c1 ZINC000085651255 563521385 /nfs/dbraw/zinc/52/13/85/563521385.db2.gz OPLZVYOSSUPEHN-UHFFFAOYSA-N 0 0 315.413 3.606 50 0 DHAARN Cc1noc(C)c1C(=O)NC[C@H](c1ccco1)c1cccs1 ZINC000585147697 563521674 /nfs/dbraw/zinc/52/16/74/563521674.db2.gz KJOMUSQTJXQZIV-GFCCVEGCSA-N 0 0 316.382 3.508 50 0 DHAARN Cc1cnc(CN(C)[C@H](c2cccc(F)c2)c2ccccn2)o1 ZINC000072606852 563525386 /nfs/dbraw/zinc/52/53/86/563525386.db2.gz DRXHULBRZKRBGN-GOSISDBHSA-N 0 0 311.360 3.739 50 0 DHAARN O=c1[nH]c2ccccc2n1CCCSc1ccccc1F ZINC000011435522 563527007 /nfs/dbraw/zinc/52/70/07/563527007.db2.gz XWQGUXSLJDODPT-UHFFFAOYSA-N 0 0 302.374 3.651 50 0 DHAARN Cc1ccc(C(C)C)c(OCCN2C(=O)c3ccccc3C2=O)c1 ZINC000000088202 563527483 /nfs/dbraw/zinc/52/74/83/563527483.db2.gz UAEUUMKVGQCASH-UHFFFAOYSA-N 0 0 323.392 3.793 50 0 DHAARN Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccco2)S3)cc1 ZINC000000093542 563528443 /nfs/dbraw/zinc/52/84/43/563528443.db2.gz HKBSQOUCLXIDSM-CYBMUJFWSA-N 0 0 311.366 3.724 50 0 DHAARN CCCn1nc(COc2ccccc2OC)nc1[C@@H](C)SC ZINC000096148743 563533826 /nfs/dbraw/zinc/53/38/26/563533826.db2.gz UYCZBPSOBLIQNB-GFCCVEGCSA-N 0 0 321.446 3.700 50 0 DHAARN CC(C)(C)n1nc(C2CC2)nc1[C@H](O)c1cccc(Cl)c1 ZINC000096138539 563534247 /nfs/dbraw/zinc/53/42/47/563534247.db2.gz JZLBTACJPRSJCX-CYBMUJFWSA-N 0 0 305.809 3.646 50 0 DHAARN c1c2ccccc2oc1-c1nnc2sc(-c3ccncc3)nn21 ZINC000096194003 563535491 /nfs/dbraw/zinc/53/54/91/563535491.db2.gz ICDSZXIKZPALJK-UHFFFAOYSA-N 0 0 319.349 3.661 50 0 DHAARN COc1cc(C=O)ccc1OCCSCc1cccc(F)c1 ZINC000096191228 563535807 /nfs/dbraw/zinc/53/58/07/563535807.db2.gz FEMGFGANAIPGOF-UHFFFAOYSA-N 0 0 320.385 3.959 50 0 DHAARN CSc1ccc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)cc1F ZINC000072296889 563537334 /nfs/dbraw/zinc/53/73/34/563537334.db2.gz QRJLAUSCBREMLQ-SECBINFHSA-N 0 0 321.421 3.640 50 0 DHAARN CC(C)c1nc(CN(C)Cc2nccn2Cc2ccccc2)co1 ZINC000097288875 563538387 /nfs/dbraw/zinc/53/83/87/563538387.db2.gz AIKBNMCTRYSLBY-UHFFFAOYSA-N 0 0 324.428 3.675 50 0 DHAARN C[C@H]1c2cc(F)ccc2CCN1C(=O)c1cccc2nccnc21 ZINC000097301277 563538395 /nfs/dbraw/zinc/53/83/95/563538395.db2.gz NVEZFMQGAWOPPY-LBPRGKRZSA-N 0 0 321.355 3.528 50 0 DHAARN CCc1nc(C)c(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)o1 ZINC000097360274 563538498 /nfs/dbraw/zinc/53/84/98/563538498.db2.gz AGGXDOLCLUMDBF-UHFFFAOYSA-N 0 0 323.396 3.832 50 0 DHAARN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cnc2ccccc2n1 ZINC000247754797 563538519 /nfs/dbraw/zinc/53/85/19/563538519.db2.gz WRIPPLRUEWGQPL-QLFBSQMISA-N 0 0 309.413 3.719 50 0 DHAARN NC(=O)c1ccnc(-c2ccc(COCc3cccs3)cc2)c1 ZINC000097514183 563539354 /nfs/dbraw/zinc/53/93/54/563539354.db2.gz AMGVPPGAGUGKMC-UHFFFAOYSA-N 0 0 324.405 3.626 50 0 DHAARN O=C(c1c[nH]nc1C1CCCCC1)N1CCc2sccc2C1 ZINC000097657213 563540959 /nfs/dbraw/zinc/54/09/59/563540959.db2.gz SUMQIJMFMCZYGW-UHFFFAOYSA-N 0 0 315.442 3.717 50 0 DHAARN COC(=O)c1ccc(-c2cc(OC)cc(OC)c2)cc1Cl ZINC000097757139 563542062 /nfs/dbraw/zinc/54/20/62/563542062.db2.gz MKMZODYMMQANJF-UHFFFAOYSA-N 0 0 306.745 3.811 50 0 DHAARN COc1ccc(-c2ccc(N3CCCCCC3)nn2)c(OC)c1 ZINC000097773233 563542284 /nfs/dbraw/zinc/54/22/84/563542284.db2.gz YCNJIPCNLADBCO-UHFFFAOYSA-N 0 0 313.401 3.541 50 0 DHAARN CCOc1ccc(C[C@H]2c3cc(C)ccc3NC2=O)cc1OC ZINC000101016348 563555694 /nfs/dbraw/zinc/55/56/94/563555694.db2.gz KWOJMKKCUVVKSM-HNNXBMFYSA-N 0 0 311.381 3.681 50 0 DHAARN CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C)ccc1C ZINC000101405898 563557490 /nfs/dbraw/zinc/55/74/90/563557490.db2.gz QFBYVEDMPNEUNS-HWWQOWPSSA-N 0 0 302.418 3.508 50 0 DHAARN C[C@@H]1CC[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2C1 ZINC000101708056 563558135 /nfs/dbraw/zinc/55/81/35/563558135.db2.gz DJKDBXGAOQXFLV-FBIMIBRVSA-N 0 0 312.196 3.919 50 0 DHAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccco2)cc1 ZINC000102136141 563558984 /nfs/dbraw/zinc/55/89/84/563558984.db2.gz QORDQQMUTHSXAO-MUJYYYPQSA-N 0 0 311.381 3.839 50 0 DHAARN Cc1ccc(-c2csc(=S)n2CC(=O)N2CCCC2)cc1 ZINC000014229557 563564393 /nfs/dbraw/zinc/56/43/93/563564393.db2.gz CUYWDKBPOWYRNP-UHFFFAOYSA-N 0 0 318.467 3.877 50 0 DHAARN Brc1ccc([C@H]2[C@H]3C(c4ccccc4)=NCN32)cc1 ZINC000033407295 563565817 /nfs/dbraw/zinc/56/58/17/563565817.db2.gz TZTPGHPXUKERKX-GWFKTICUSA-N 0 0 313.198 3.635 50 0 DHAARN Cc1cc(NC(=O)c2ccc(-c3ccc(C)cc3)nc2C)nn1C ZINC000257173486 563567673 /nfs/dbraw/zinc/56/76/73/563567673.db2.gz OTCVASHVGFDKNT-UHFFFAOYSA-N 0 0 320.396 3.660 50 0 DHAARN C[C@H](C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2)cn1 ZINC000257173705 563567768 /nfs/dbraw/zinc/56/77/68/563567768.db2.gz VHTIPHNOZGENHR-CYBMUJFWSA-N 0 0 309.344 3.889 50 0 DHAARN O=C(NC1c2ccccc2Oc2ccccc21)c1cccnc1 ZINC000000125958 563571483 /nfs/dbraw/zinc/57/14/83/563571483.db2.gz XOQQRQBPQXHRFP-UHFFFAOYSA-N 0 0 302.333 3.707 50 0 DHAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccccn1 ZINC000000127336 563572088 /nfs/dbraw/zinc/57/20/88/563572088.db2.gz NSNNNXSZJMSSLS-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(Nc2ccccc2OC)n1 ZINC000000145890 563573311 /nfs/dbraw/zinc/57/33/11/563573311.db2.gz HOTKJHRKMKJZDO-UHFFFAOYSA-N 0 0 323.352 3.559 50 0 DHAARN COc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OC(C)C ZINC000000148936 563573317 /nfs/dbraw/zinc/57/33/17/563573317.db2.gz FCUMZZNLVGGQJA-ZRDIBKRKSA-N 0 0 317.429 3.945 50 0 DHAARN Cc1ccc2[nH]cc(CCCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000000174775 563574757 /nfs/dbraw/zinc/57/47/57/563574757.db2.gz ZPSYXOOQSLRVBP-UHFFFAOYSA-N 0 0 318.376 3.705 50 0 DHAARN COc1ccc2c(c1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000000178207 563575074 /nfs/dbraw/zinc/57/50/74/563575074.db2.gz ODQZTDLMYWPNAD-UHFFFAOYSA-N 0 0 324.332 3.630 50 0 biogenic DHAARN Ic1ccc(-c2ncc3ccccn32)cc1 ZINC000000189734 563576222 /nfs/dbraw/zinc/57/62/22/563576222.db2.gz FWCIGPWZNMURSP-UHFFFAOYSA-N 0 0 320.133 3.606 50 0 DHAARN Cc1c(Cl)ccc(S(=O)(=O)N2CCC[C@H](C)C2)c1Cl ZINC000000192068 563576898 /nfs/dbraw/zinc/57/68/98/563576898.db2.gz UAYVBUPZVCHTSW-VIFPVBQESA-N 0 0 322.257 3.722 50 0 DHAARN O[C@H](COc1cccc2ccccc21)Cn1cnc2ccccc21 ZINC000000243047 563580899 /nfs/dbraw/zinc/58/08/99/563580899.db2.gz FWMVJSKYEPWDQG-INIZCTEOSA-N 0 0 318.376 3.629 50 0 DHAARN CC(=O)N1c2ccccc2N(C(C)=O)C1c1c[nH]c2ccccc21 ZINC000000247962 563581574 /nfs/dbraw/zinc/58/15/74/563581574.db2.gz LOVNJQZOCGMVHQ-UHFFFAOYSA-N 0 0 319.364 3.586 50 0 DHAARN COc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000000249199 563581643 /nfs/dbraw/zinc/58/16/43/563581643.db2.gz AGUXAQPCHXTNJN-UHFFFAOYSA-N 0 0 322.408 3.816 50 0 DHAARN Cc1cccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1C ZINC000000252182 563582335 /nfs/dbraw/zinc/58/23/35/563582335.db2.gz ISFOSUUFILLVJL-CQSZACIVSA-N 0 0 305.381 3.700 50 0 DHAARN CCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccncc1 ZINC000158499141 563582912 /nfs/dbraw/zinc/58/29/12/563582912.db2.gz JUWZYIFNYRIZJE-UHFFFAOYSA-N 0 0 312.266 3.906 50 0 DHAARN COc1c(C)cnc(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1C ZINC000050448717 563587739 /nfs/dbraw/zinc/58/77/39/563587739.db2.gz LRJBFQZFERFCJE-ZBFHGGJFSA-N 0 0 316.445 3.562 50 0 DHAARN Cc1cc2c(cc1C)-c1nc3ccccc3c(=O)n1C(C)(C)C2 ZINC000000334196 563588842 /nfs/dbraw/zinc/58/88/42/563588842.db2.gz VELCEUVZVBCGAZ-UHFFFAOYSA-N 0 0 304.393 3.972 50 0 DHAARN Cc1ccccc1N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl ZINC000000364545 563590651 /nfs/dbraw/zinc/59/06/51/563590651.db2.gz JADOTYCCXSLZGS-GFCCVEGCSA-N 0 0 323.651 3.875 50 0 DHAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1O ZINC000000367844 563590694 /nfs/dbraw/zinc/59/06/94/563590694.db2.gz GUALJSOFFKGDTD-UHFFFAOYSA-N 0 0 312.152 3.960 50 0 DHAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCC1 ZINC000000371505 563590759 /nfs/dbraw/zinc/59/07/59/563590759.db2.gz LUGPYZXWGDKOQS-UHFFFAOYSA-N 0 0 315.394 3.940 50 0 DHAARN CCn1ncc(Br)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000000371940 563590763 /nfs/dbraw/zinc/59/07/63/563590763.db2.gz IUSUDYRPZILJLB-UHFFFAOYSA-N 0 0 322.206 3.535 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000000374233 563591329 /nfs/dbraw/zinc/59/13/29/563591329.db2.gz VYUBKVDLBUNQGA-UHFFFAOYSA-N 0 0 307.296 3.857 50 0 DHAARN COc1ccccc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000000385086 563591793 /nfs/dbraw/zinc/59/17/93/563591793.db2.gz BLJUJEILMUWIBY-UHFFFAOYSA-N 0 0 315.131 3.788 50 0 DHAARN CCOC(=O)C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000000066232 563593055 /nfs/dbraw/zinc/59/30/55/563593055.db2.gz BFCPBUKDZKEQET-UHFFFAOYSA-N 0 0 324.833 3.729 50 0 DHAARN O=C(Nc1cccc(Cn2cccn2)c1)N1CCCCCCC1 ZINC000044266751 563598590 /nfs/dbraw/zinc/59/85/90/563598590.db2.gz JZVSDMOGFBCBCT-UHFFFAOYSA-N 0 0 312.417 3.729 50 0 DHAARN CSc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000011724347 563599072 /nfs/dbraw/zinc/59/90/72/563599072.db2.gz AQEDQOYTYZTBQF-UHFFFAOYSA-N 0 0 315.394 3.822 50 0 DHAARN COCCOc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1 ZINC000044300827 563599356 /nfs/dbraw/zinc/59/93/56/563599356.db2.gz SDQZXSIJNIBENK-GFCCVEGCSA-N 0 0 320.414 3.656 50 0 DHAARN Cn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(Cl)cc1 ZINC000011852991 563599944 /nfs/dbraw/zinc/59/99/44/563599944.db2.gz YMBMKGWFPYMMBL-OBGWFSINSA-N 0 0 320.776 3.773 50 0 DHAARN CC(C)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1 ZINC000011869000 563600593 /nfs/dbraw/zinc/60/05/93/563600593.db2.gz WQRQVIJJAZQWTA-UHFFFAOYSA-N 0 0 316.426 3.630 50 0 DHAARN CCOc1ccccc1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000011899726 563601392 /nfs/dbraw/zinc/60/13/92/563601392.db2.gz ONVVBUZQSNKRRS-UHFFFAOYSA-N 0 0 313.372 3.686 50 0 DHAARN O=C(Nc1nc(-c2cccs2)ns1)c1ccccc1F ZINC000011914310 563601924 /nfs/dbraw/zinc/60/19/24/563601924.db2.gz VQIUXNAYGXFLFT-UHFFFAOYSA-N 0 0 305.359 3.658 50 0 DHAARN FC(F)(F)c1nccc(Br)c1Br ZINC000238582341 563603041 /nfs/dbraw/zinc/60/30/41/563603041.db2.gz UNHQOBNBDUCMPL-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN COC1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000044449879 563603043 /nfs/dbraw/zinc/60/30/43/563603043.db2.gz UHSLBHFTQRHPKD-UHFFFAOYSA-N 0 0 309.409 3.534 50 0 DHAARN Cc1cc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)ncn1 ZINC000012016748 563603519 /nfs/dbraw/zinc/60/35/19/563603519.db2.gz VRFIYKBJUVJKTD-SNVBAGLBSA-N 0 0 307.806 3.558 50 0 DHAARN Cc1cc(SCC(=O)NC2CCCC2)nc2ccccc12 ZINC000000417925 563611654 /nfs/dbraw/zinc/61/16/54/563611654.db2.gz BWBMGTRLLWTXGB-UHFFFAOYSA-N 0 0 300.427 3.694 50 0 DHAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(F)cc1 ZINC000000428798 563612571 /nfs/dbraw/zinc/61/25/71/563612571.db2.gz IPCAAVRQZIQEEJ-UHFFFAOYSA-N 0 0 317.345 3.509 50 0 DHAARN COC(=O)c1sc(=S)n(-c2cc(Cl)ccc2C)c1N ZINC000000425173 563612722 /nfs/dbraw/zinc/61/27/22/563612722.db2.gz LOQDUDWGRVXKNP-UHFFFAOYSA-N 0 0 314.819 3.599 50 0 DHAARN CCOc1cc2[n-]c(=S)n([C@@H](C)CC)c(=O)c2cc1OCC ZINC000000425119 563612877 /nfs/dbraw/zinc/61/28/77/563612877.db2.gz MIKKUQIGPXWBOM-JTQLQIEISA-N 0 0 322.430 3.827 50 0 DHAARN Cc1cc2nc(-c3cccc(N4C(=O)C=CC4=O)c3)oc2c(C)c1 ZINC000000426200 563613259 /nfs/dbraw/zinc/61/32/59/563613259.db2.gz WSUPBLWQHZNRFT-UHFFFAOYSA-N 0 0 318.332 3.541 50 0 DHAARN CC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000000425595 563613260 /nfs/dbraw/zinc/61/32/60/563613260.db2.gz YPUVUDDKNBMWPR-JTQLQIEISA-N 0 0 301.781 3.679 50 0 DHAARN COc1c(C)cnc(CSc2nncc3ccccc32)c1C ZINC000074015712 563616352 /nfs/dbraw/zinc/61/63/52/563616352.db2.gz DJPQNAQXHNLQSD-UHFFFAOYSA-N 0 0 311.410 3.943 50 0 DHAARN CCOCCOc1c(Cl)cccc1NCc1nccn1CC ZINC000075107690 563616916 /nfs/dbraw/zinc/61/69/16/563616916.db2.gz FENSDLFICNSDJN-UHFFFAOYSA-N 0 0 323.824 3.584 50 0 DHAARN Cc1nc([C@@H]2CCCN2Cc2csc(C3CCCC3)n2)no1 ZINC000075573090 563616963 /nfs/dbraw/zinc/61/69/63/563616963.db2.gz BKEUREXSJYJJBR-AWEZNQCLSA-N 0 0 318.446 3.829 50 0 DHAARN Nc1ncc(Cl)c(-c2cnc(-c3ccc(F)cc3)s2)n1 ZINC000221589914 563617703 /nfs/dbraw/zinc/61/77/03/563617703.db2.gz MFLPSXCWMXZJGH-UHFFFAOYSA-N 0 0 306.753 3.642 50 0 DHAARN CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000000462974 563617860 /nfs/dbraw/zinc/61/78/60/563617860.db2.gz AICBVBWAYDCCKP-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN CCc1noc(CC)c1CN[C@H](C)c1cc(C)ccc1OC ZINC000166959509 563618648 /nfs/dbraw/zinc/61/86/48/563618648.db2.gz OEQGNJXRCVYXRJ-CYBMUJFWSA-N 0 0 302.418 3.967 50 0 DHAARN CN(C(=O)C1=NO[C@@H](c2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000054365678 563620856 /nfs/dbraw/zinc/62/08/56/563620856.db2.gz SFIFAMLYYDJCIO-RBUKOAKNSA-N 0 0 320.392 3.650 50 0 DHAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C)cc2)cc1 ZINC000002638729 563621316 /nfs/dbraw/zinc/62/13/16/563621316.db2.gz HQADLIFHVHIJGC-UHFFFAOYSA-N 0 0 311.381 3.995 50 0 DHAARN COc1ccc(CC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000005425632 563621491 /nfs/dbraw/zinc/62/14/91/563621491.db2.gz NJAMLUOURIZNLL-INIZCTEOSA-N 0 0 313.422 3.591 50 0 DHAARN Cc1cc(C)c(NC(=O)CN2CCc3ccccc3C2)c(C)c1 ZINC000005538424 563623626 /nfs/dbraw/zinc/62/36/26/563623626.db2.gz KHJBFSMDXNOLNJ-UHFFFAOYSA-N 0 0 308.425 3.609 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000007050598 563625346 /nfs/dbraw/zinc/62/53/46/563625346.db2.gz JFDSDXIOHKKBCH-UHFFFAOYSA-N 0 0 301.411 3.593 50 0 DHAARN COc1cc(NC(=O)c2ccccc2F)c(OC)cc1Cl ZINC000000255643 563629290 /nfs/dbraw/zinc/62/92/90/563629290.db2.gz BWFSEJUFLNVVMJ-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN Cc1ccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1C ZINC000000579132 563631297 /nfs/dbraw/zinc/63/12/97/563631297.db2.gz QUBOOSBPHLNSNY-UHFFFAOYSA-N 0 0 322.360 3.980 50 0 DHAARN COc1ccc(CNc2nc3ccccc3s2)cc1OC ZINC000000562824 563631387 /nfs/dbraw/zinc/63/13/87/563631387.db2.gz RQQGCVVIUAOBHT-UHFFFAOYSA-N 0 0 300.383 3.926 50 0 DHAARN FC(F)(F)c1ccccc1N1C(=S)N=NC1c1cccnc1 ZINC000001267164 563633627 /nfs/dbraw/zinc/63/36/27/563633627.db2.gz WILBDEJKVITJEP-UHFFFAOYSA-N 0 0 322.315 3.637 50 0 DHAARN CO[C@@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccco1 ZINC000206863028 563639001 /nfs/dbraw/zinc/63/90/01/563639001.db2.gz SPWFWDPMRQEOJW-JCVNQNCUSA-N 0 0 317.410 3.519 50 0 DHAARN COc1ccc([C@@H]2CCCCN(C(=O)CC(F)(F)F)C2)cc1 ZINC000206885453 563639716 /nfs/dbraw/zinc/63/97/16/563639716.db2.gz WRWXMAGJHBXYDO-CYBMUJFWSA-N 0 0 315.335 3.744 50 0 DHAARN CCCCC(=O)/N=c1/sc2cccc(OCC)c2n1CC ZINC000100870353 563645743 /nfs/dbraw/zinc/64/57/43/563645743.db2.gz RMPLMIAVWGOBMC-WUKNDPDISA-N 0 0 306.431 3.739 50 0 DHAARN COc1ccc(C)c2s/c(=N\C(=O)C3CCCCC3)n(C)c21 ZINC000100908804 563646488 /nfs/dbraw/zinc/64/64/88/563646488.db2.gz XCTVNLCMHLKJBW-ZCXUNETKSA-N 0 0 318.442 3.564 50 0 DHAARN FC(F)(F)Sc1cccc(I)c1 ZINC000169725982 563647714 /nfs/dbraw/zinc/64/77/14/563647714.db2.gz YJJROZDLYRTQCZ-UHFFFAOYSA-N 0 0 304.074 3.903 50 0 DHAARN CC(C)Oc1cccc(CNC(=O)Cc2ccc(Cl)cc2)c1 ZINC000046656159 563649100 /nfs/dbraw/zinc/64/91/00/563649100.db2.gz WQVOPLADJHVEJH-UHFFFAOYSA-N 0 0 317.816 3.986 50 0 DHAARN C[C@H](NCc1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000012803314 563653768 /nfs/dbraw/zinc/65/37/68/563653768.db2.gz RUDHIKDQGCUTJC-NSHDSACASA-N 0 0 320.318 3.599 50 0 DHAARN COc1ccc2cc(CN3C[C@@H](C)O[C@H](C)C3)c(Cl)nc2c1 ZINC000012978587 563654563 /nfs/dbraw/zinc/65/45/63/563654563.db2.gz YPVROUROFZGRLL-VXGBXAGGSA-N 0 0 320.820 3.506 50 0 DHAARN Cc1sc2[nH]c(CNc3ccccc3Cl)nc(=O)c2c1C ZINC000013362344 563658163 /nfs/dbraw/zinc/65/81/63/563658163.db2.gz RCHFTBUUFFCFML-UHFFFAOYSA-N 0 0 319.817 3.867 50 0 DHAARN CSc1ncccc1C(=O)Nc1ccc(Br)cc1 ZINC000000515967 563661111 /nfs/dbraw/zinc/66/11/11/563661111.db2.gz OTXJRGIHRPZWDP-UHFFFAOYSA-N 0 0 323.215 3.818 50 0 DHAARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)CCCC1=N2 ZINC000102670508 563661120 /nfs/dbraw/zinc/66/11/20/563661120.db2.gz XPFCKOOCCLWQRQ-HNNXBMFYSA-N 0 0 316.311 3.536 50 0 DHAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1ccco1 ZINC000000532765 563665815 /nfs/dbraw/zinc/66/58/15/563665815.db2.gz WQDWGCFECWBRRJ-UHFFFAOYSA-N 0 0 322.393 3.697 50 0 DHAARN CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000000530510 563665891 /nfs/dbraw/zinc/66/58/91/563665891.db2.gz FOPSPFYYHOSVTB-HNNXBMFYSA-N 0 0 319.408 3.885 50 0 DHAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3)NC(=O)CN21 ZINC000000540185 563668258 /nfs/dbraw/zinc/66/82/58/563668258.db2.gz FNIOOKBXGRMMLD-VIOKTNGOSA-N 0 0 318.420 3.632 50 0 biogenic DHAARN CC(=O)Nc1ccc(C)cc1OCc1ccn(-c2ccccc2)n1 ZINC000103720209 563670316 /nfs/dbraw/zinc/67/03/16/563670316.db2.gz MOLBWEIPUXEQAU-UHFFFAOYSA-N 0 0 321.380 3.718 50 0 DHAARN COC(=O)c1ccc(CN[C@H](C)c2ccc(F)cc2F)cc1F ZINC000181578510 563672438 /nfs/dbraw/zinc/67/24/38/563672438.db2.gz DSHDLTAAROJTMV-SNVBAGLBSA-N 0 0 323.314 3.741 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)C1 ZINC000046729024 563673203 /nfs/dbraw/zinc/67/32/03/563673203.db2.gz MGJSJNCDMFQDSS-LLVKDONJSA-N 0 0 303.793 3.602 50 0 DHAARN CN(C(=O)NCc1cccc2cccnc21)C(C1CC1)C1CC1 ZINC000051300152 563673269 /nfs/dbraw/zinc/67/32/69/563673269.db2.gz LUUUYCGOCLZMHW-UHFFFAOYSA-N 0 0 309.413 3.565 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000046743205 563674180 /nfs/dbraw/zinc/67/41/80/563674180.db2.gz AVVMIMVQHKWBMI-ZDUSSCGKSA-N 0 0 316.426 3.829 50 0 DHAARN COC(=O)c1c(NCc2ccc(C)o2)onc1-c1ccccc1 ZINC000046916028 563678266 /nfs/dbraw/zinc/67/82/66/563678266.db2.gz RKVZQKOIQCEPHY-UHFFFAOYSA-N 0 0 312.325 3.642 50 0 DHAARN CC[C@H](C)Nc1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 ZINC000036613752 563679089 /nfs/dbraw/zinc/67/90/89/563679089.db2.gz OFOCEXUHDOPSIP-VIFPVBQESA-N 0 0 309.364 3.816 50 0 DHAARN CC[Si](CC)(CC)c1c(F)cc(Br)nc1F ZINC000196297028 563679733 /nfs/dbraw/zinc/67/97/33/563679733.db2.gz ZVPUQTZIIHQTRL-UHFFFAOYSA-N 0 0 308.242 3.838 50 0 DHAARN O=C(c1ccccc1Br)N1CCc2sccc2C1 ZINC000012215378 563681754 /nfs/dbraw/zinc/68/17/54/563681754.db2.gz MHTKQJJNBVCFLB-UHFFFAOYSA-N 0 0 322.227 3.709 50 0 DHAARN O=C(C[C@H]1CCCO1)N[C@H](c1cccs1)c1ccccc1 ZINC000044939639 563687192 /nfs/dbraw/zinc/68/71/92/563687192.db2.gz VBMOGSUTQFQNIY-PBHICJAKSA-N 0 0 301.411 3.523 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000044966751 563687618 /nfs/dbraw/zinc/68/76/18/563687618.db2.gz DXLJJSQHSRSJSF-DTWKUNHWSA-N 0 0 319.352 3.723 50 0 DHAARN Cc1ccccc1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000044999348 563687840 /nfs/dbraw/zinc/68/78/40/563687840.db2.gz GAIKOEDGHMXSJO-LJQANCHMSA-N 0 0 321.424 3.927 50 0 DHAARN CNC(=O)c1cccc(CNc2cc(C)c3ccccc3n2)c1 ZINC000045733623 563690019 /nfs/dbraw/zinc/69/00/19/563690019.db2.gz GRUUBNJTGUZBMS-UHFFFAOYSA-N 0 0 305.381 3.515 50 0 DHAARN CCCNC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000045740836 563690040 /nfs/dbraw/zinc/69/00/40/563690040.db2.gz MFBZLZGHCNQXKU-XJKSGUPXSA-N 0 0 317.433 3.527 50 0 DHAARN COc1ccc(OC)c(-c2csc(Nc3ccccn3)n2)c1 ZINC000045793780 563690128 /nfs/dbraw/zinc/69/01/28/563690128.db2.gz GSROOMXNJIGNOS-UHFFFAOYSA-N 0 0 313.382 3.966 50 0 DHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018275 563691639 /nfs/dbraw/zinc/69/16/39/563691639.db2.gz BMPOGVSKAIXOTC-INIZCTEOSA-N 0 0 319.401 3.660 50 0 DHAARN COCc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000046032201 563692085 /nfs/dbraw/zinc/69/20/85/563692085.db2.gz QIMXIYFUHKLUIQ-UHFFFAOYSA-N 0 0 323.396 3.679 50 0 DHAARN O=C(NCC1CC1)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC000048219281 563693602 /nfs/dbraw/zinc/69/36/02/563693602.db2.gz QZTMPZHHPVIEPB-UHFFFAOYSA-N 0 0 301.321 3.545 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1ccccn1 ZINC000048234311 563693606 /nfs/dbraw/zinc/69/36/06/563693606.db2.gz GOEVNQXKUAOBJH-WFASDCNBSA-N 0 0 315.442 3.923 50 0 DHAARN C[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1cccnc1 ZINC000048242251 563693895 /nfs/dbraw/zinc/69/38/95/563693895.db2.gz RLWUIMVUGHURKR-OAHLLOKOSA-N 0 0 310.397 3.702 50 0 DHAARN C(=C/c1nc2ccccc2o1)\c1csc(-c2ncccn2)n1 ZINC000048250693 563695029 /nfs/dbraw/zinc/69/50/29/563695029.db2.gz BHKLVHWFCVFZOZ-VOTSOKGWSA-N 0 0 306.350 3.912 50 0 DHAARN CCCOc1ccc([C@H](C)NC(=O)C2CCCC2)cc1OC ZINC000048324419 563696552 /nfs/dbraw/zinc/69/65/52/563696552.db2.gz YQFUDMUCTFPZOY-ZDUSSCGKSA-N 0 0 305.418 3.851 50 0 DHAARN CN(Cc1ccc2ccccc2c1)C(=O)c1ccc[nH]c1=S ZINC000048312332 563696557 /nfs/dbraw/zinc/69/65/57/563696557.db2.gz WJZUKUTZIBFCRH-UHFFFAOYSA-N 0 0 308.406 3.796 50 0 DHAARN COc1cc([C@@H](C)NC(=O)C2CCC2)ccc1OC1CCCC1 ZINC000048339873 563696927 /nfs/dbraw/zinc/69/69/27/563696927.db2.gz LZJZORKDDBHKAI-CYBMUJFWSA-N 0 0 317.429 3.994 50 0 DHAARN COc1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1Cl ZINC000048342709 563696969 /nfs/dbraw/zinc/69/69/69/563696969.db2.gz DEKZAOMNDDVHDK-SNVBAGLBSA-N 0 0 305.765 3.626 50 0 DHAARN CC(C)OCc1ccc(CNC(=O)c2ccccc2F)cc1 ZINC000048354919 563697475 /nfs/dbraw/zinc/69/74/75/563697475.db2.gz GSVPINGNQXWXDU-UHFFFAOYSA-N 0 0 301.361 3.681 50 0 DHAARN C[C@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000048355900 563697498 /nfs/dbraw/zinc/69/74/98/563697498.db2.gz FAABAIREPQWXPS-DOMZBBRYSA-N 0 0 304.415 3.819 50 0 DHAARN CCCN(CCc1ccccn1)C(=O)c1ccc(Cl)cc1 ZINC000048356615 563697685 /nfs/dbraw/zinc/69/76/85/563697685.db2.gz HIHMYMGYDZWLIM-UHFFFAOYSA-N 0 0 302.805 3.830 50 0 DHAARN CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccccn2)cc1 ZINC000048374453 563698361 /nfs/dbraw/zinc/69/83/61/563698361.db2.gz LEQYMXRUSUTULJ-HNNXBMFYSA-N 0 0 312.413 3.620 50 0 DHAARN Cc1nc(C)c([C@H](C)NC(=O)Nc2cccnc2Cl)s1 ZINC000049210694 563700742 /nfs/dbraw/zinc/70/07/42/563700742.db2.gz GDVQXNWIVDMRRP-QMMMGPOBSA-N 0 0 310.810 3.691 50 0 DHAARN Cc1nc(C(=O)Nc2cccc(-c3nccs3)c2)cs1 ZINC000049313413 563700952 /nfs/dbraw/zinc/70/09/52/563700952.db2.gz PJEMRLHTLCMLBA-UHFFFAOYSA-N 0 0 301.396 3.827 50 0 DHAARN CCCc1nc(-n2cccc2)sc1C(=O)Nc1nccs1 ZINC000049545610 563701575 /nfs/dbraw/zinc/70/15/75/563701575.db2.gz RHLFACPIOWAHOP-UHFFFAOYSA-N 0 0 318.427 3.595 50 0 DHAARN C[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)[C@@H]1CCCO1 ZINC000049674859 563702377 /nfs/dbraw/zinc/70/23/77/563702377.db2.gz UKQLMAPXERGLPT-BEFAXECRSA-N 0 0 324.424 3.752 50 0 DHAARN CCOc1ccc2c(cc(C(=O)Nc3cccc(OC)c3)n2C)c1 ZINC000049728943 563702413 /nfs/dbraw/zinc/70/24/13/563702413.db2.gz QNGHHDMGARWZQO-UHFFFAOYSA-N 0 0 324.380 3.838 50 0 DHAARN Cc1ccoc1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000049590327 563702620 /nfs/dbraw/zinc/70/26/20/563702620.db2.gz URDLNCYCRPGSQA-HNNXBMFYSA-N 0 0 311.385 3.982 50 0 DHAARN Cc1occc1-c1nnc(Sc2nc3ccccc3o2)n1C ZINC000051537035 563705583 /nfs/dbraw/zinc/70/55/83/563705583.db2.gz XBARQFHGDSBKLH-UHFFFAOYSA-N 0 0 312.354 3.676 50 0 DHAARN Cc1ncsc1CCN(C)Cc1c(Cl)cncc1Cl ZINC000215622178 563706102 /nfs/dbraw/zinc/70/61/02/563706102.db2.gz UZZLDQYVROOOBU-UHFFFAOYSA-N 0 0 316.257 3.828 50 0 DHAARN COc1ccc(F)c(F)c1CN1CCC[C@@H]1c1nccs1 ZINC000215631467 563706377 /nfs/dbraw/zinc/70/63/77/563706377.db2.gz JPQFJQWAPXXPBY-GFCCVEGCSA-N 0 0 310.369 3.767 50 0 DHAARN CCc1nc(C)sc1C(=O)N[C@H](c1cc(C)ccn1)C1CC1 ZINC000215528576 563706462 /nfs/dbraw/zinc/70/64/62/563706462.db2.gz JMPMRYLOCMQNNA-HNNXBMFYSA-N 0 0 315.442 3.598 50 0 DHAARN Cc1cc(C)n(-c2cccc(CN(C)[C@H](C)c3ccon3)c2)n1 ZINC000216134966 563708451 /nfs/dbraw/zinc/70/84/51/563708451.db2.gz BRHSOEGOBWXTTB-OAHLLOKOSA-N 0 0 310.401 3.670 50 0 DHAARN CC(C)Cn1c(CN(C)[C@@H](C)c2ccncn2)nc2ccccc21 ZINC000216301535 563708790 /nfs/dbraw/zinc/70/87/90/563708790.db2.gz WXZWUKZYSRUTGJ-HNNXBMFYSA-N 0 0 323.444 3.675 50 0 DHAARN Cc1ccc(N[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)cc1C ZINC000012304531 563708809 /nfs/dbraw/zinc/70/88/09/563708809.db2.gz WXZJMNWLHZXMKP-CQSZACIVSA-N 0 0 314.351 3.659 50 0 DHAARN FC(F)(F)c1nn2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000012323346 563713130 /nfs/dbraw/zinc/71/31/30/563713130.db2.gz QFTIIUIIZZJSHC-UHFFFAOYSA-N 0 0 304.684 3.525 50 0 DHAARN O=C(CCSc1ccc(Cl)cc1)NCc1ccccn1 ZINC000000803284 563717461 /nfs/dbraw/zinc/71/74/61/563717461.db2.gz KWILUWPJYMCJLI-UHFFFAOYSA-N 0 0 306.818 3.534 50 0 DHAARN Cc1nc2ccccc2n1CCNC(=O)c1cc2ccccc2o1 ZINC000008134950 563718922 /nfs/dbraw/zinc/71/89/22/563718922.db2.gz OGJRRSWVTVSOKB-UHFFFAOYSA-N 0 0 319.364 3.521 50 0 DHAARN CCCN(Cc1ccc(SC)cc1)C(=O)[C@H]1CCC[C@H](O)C1 ZINC000219462214 563719083 /nfs/dbraw/zinc/71/90/83/563719083.db2.gz UKGIZEVLCMXFST-HOTGVXAUSA-N 0 0 321.486 3.698 50 0 DHAARN CCOC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2O)c1 ZINC000008242096 563719615 /nfs/dbraw/zinc/71/96/15/563719615.db2.gz FXTZNLIPQQMTOM-UHFFFAOYSA-N 0 0 314.341 3.521 50 0 DHAARN COc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1OC ZINC000000817662 563720476 /nfs/dbraw/zinc/72/04/76/563720476.db2.gz KTVUXLSOCLVKKY-LJQANCHMSA-N 0 0 321.380 3.848 50 0 DHAARN C[C@H](Cc1cnccn1)NC(=O)c1ccccc1-c1ccccc1 ZINC000219734694 563721023 /nfs/dbraw/zinc/72/10/23/563721023.db2.gz RSLXHAMWNSMISA-OAHLLOKOSA-N 0 0 317.392 3.505 50 0 DHAARN O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1 ZINC000000819400 563721292 /nfs/dbraw/zinc/72/12/92/563721292.db2.gz ONAKBAHUXLBOGH-UHFFFAOYSA-N 0 0 307.806 3.776 50 0 DHAARN CN(CCC[C@H]1CCCO1)C(=O)c1ccccc1C(F)(F)F ZINC000219762909 563721855 /nfs/dbraw/zinc/72/18/55/563721855.db2.gz PFUYLCKRCNKTAP-LBPRGKRZSA-N 0 0 315.335 3.737 50 0 DHAARN CC[C@@H](NC(=O)c1ccc(-c2ccc(C)o2)cc1)C1CC(O)C1 ZINC000220040670 563722219 /nfs/dbraw/zinc/72/22/19/563722219.db2.gz GIJZXLQZYLBBGV-OFLPRAFFSA-N 0 0 313.397 3.534 50 0 DHAARN Cc1ncsc1CCN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC000220740719 563723288 /nfs/dbraw/zinc/72/32/88/563723288.db2.gz MSAZCJJTUMDYQN-UHFFFAOYSA-N 0 0 314.454 3.645 50 0 DHAARN CN(CCC[C@H]1CCCO1)C(=O)Cc1cccc2ccccc21 ZINC000223474466 563734038 /nfs/dbraw/zinc/73/40/38/563734038.db2.gz HOEQJBRISXXNKA-SFHVURJKSA-N 0 0 311.425 3.800 50 0 DHAARN CCCC[C@H](NC(=O)c1c(F)cccc1OC)c1cccnc1 ZINC000223788995 563736642 /nfs/dbraw/zinc/73/66/42/563736642.db2.gz RHENRXHNLWVNKS-HNNXBMFYSA-N 0 0 316.376 3.891 50 0 DHAARN C[C@@H](NC(=O)c1ccc(-c2ccco2)cc1)c1nc(C2CC2)no1 ZINC000223844292 563737256 /nfs/dbraw/zinc/73/72/56/563737256.db2.gz LTOLANXUESLHCS-LLVKDONJSA-N 0 0 323.352 3.698 50 0 DHAARN O=C(Nc1ccccc1F)C1=C(c2ccccc2)SCCO1 ZINC000012390277 563769032 /nfs/dbraw/zinc/76/90/32/563769032.db2.gz JCGIAAGBZXWVMO-UHFFFAOYSA-N 0 0 315.369 3.896 50 0 DHAARN C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc2O1 ZINC000041155574 563770878 /nfs/dbraw/zinc/77/08/78/563770878.db2.gz OIPYXGNINCCJQU-CYBMUJFWSA-N 0 0 320.348 3.769 50 0 DHAARN CC[C@@H](CNC(=O)c1ccc(OC)cc1)c1ccc(F)cc1 ZINC000227154695 563771125 /nfs/dbraw/zinc/77/11/25/563771125.db2.gz QGFRPKYLSHAEKJ-ZDUSSCGKSA-N 0 0 301.361 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/nfs/dbraw/zinc/91/93/22/563919322.db2.gz KHUGYQIAARFWDV-UHFFFAOYSA-N 0 0 318.423 3.643 50 0 DHAARN C[C@H]1OCC[C@H]1Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000195551650 563919614 /nfs/dbraw/zinc/91/96/14/563919614.db2.gz TYVRJRDLAVHGDR-IUODEOHRSA-N 0 0 318.417 3.574 50 0 DHAARN CC(C)(C)SCCCC(=O)N1CCc2ccc(O)cc2C1 ZINC000195545315 563919625 /nfs/dbraw/zinc/91/96/25/563919625.db2.gz JJEVJQBSJALHCT-UHFFFAOYSA-N 0 0 307.459 3.589 50 0 DHAARN CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000066045262 563919724 /nfs/dbraw/zinc/91/97/24/563919724.db2.gz LZWWYQRGRBBGBX-QGZVFWFLSA-N 0 0 324.424 3.859 50 0 DHAARN O=C(CCOCC(F)F)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000195579847 563919768 /nfs/dbraw/zinc/91/97/68/563919768.db2.gz IOJBGTLEQDPSNI-CRAIPNDOSA-N 0 0 323.383 3.586 50 0 DHAARN O=[S@@](CC[C@H]1CCCO1)Cc1ncc(-c2ccccc2)s1 ZINC000195577210 563919785 /nfs/dbraw/zinc/91/97/85/563919785.db2.gz AKWGLMLVLHPBEA-SZNDQCEHSA-N 0 0 321.467 3.628 50 0 DHAARN COc1cccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)c1 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COc1cc(OC)cc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000007924321 563921158 /nfs/dbraw/zinc/92/11/58/563921158.db2.gz IBGPGGXWBDFBFK-GOSISDBHSA-N 0 0 313.397 3.831 50 0 DHAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccn2)c1 ZINC000027652615 563923771 /nfs/dbraw/zinc/92/37/71/563923771.db2.gz VLWKJNKPIVZVBQ-UHFFFAOYSA-N 0 0 323.352 3.518 50 0 DHAARN C[C@@H]1C(=O)CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]12 ZINC000101358462 563924149 /nfs/dbraw/zinc/92/41/49/563924149.db2.gz FBSPYDKHZVACEY-XGIHMFCUSA-N 0 0 308.425 3.702 50 0 DHAARN CC(C)(C)OC(=O)N1CCC[C@H](Sc2ccc(N)cc2)C1 ZINC000117413699 563924190 /nfs/dbraw/zinc/92/41/90/563924190.db2.gz OAVKNYSUDIAVPQ-AWEZNQCLSA-N 0 0 308.447 3.760 50 0 DHAARN Cc1ccc2c(c1)N(Cc1nnc(C3CC3)n1C1CC1)C[C@H](C)O2 ZINC000253427421 563925310 /nfs/dbraw/zinc/92/53/10/563925310.db2.gz TZTQWPKZNLUTHG-ZDUSSCGKSA-N 0 0 324.428 3.586 50 0 DHAARN Cn1cc([C@H](N[C@@H]2CCC[C@H](C3CC3)C2)C(F)(F)F)cn1 ZINC000253427757 563925379 /nfs/dbraw/zinc/92/53/79/563925379.db2.gz 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CQRJUXJDMSYQHR-UHFFFAOYSA-N 0 0 323.440 3.682 50 0 DHAARN CO[C@@]1(C)CCCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000253432654 563925701 /nfs/dbraw/zinc/92/57/01/563925701.db2.gz MFHCSMHBIOLSDX-KRWDZBQOSA-N 0 0 301.390 3.591 50 0 DHAARN Cc1nc(S[C@H](C)CCc2ccccc2)sc1CC(N)=O ZINC000054916037 563926039 /nfs/dbraw/zinc/92/60/39/563926039.db2.gz WKRZBTQKCISMFV-LLVKDONJSA-N 0 0 320.483 3.593 50 0 DHAARN Cc1cn2nc(N[C@@H]3CCOc4c(Cl)cccc43)sc2n1 ZINC000054982002 563926101 /nfs/dbraw/zinc/92/61/01/563926101.db2.gz QMZLBLYJBJSRSX-LLVKDONJSA-N 0 0 320.805 3.688 50 0 DHAARN Cc1ccc2c(c1)[nH]c1c2ncn(Cc2ccccc2Cl)c1=O ZINC000002440608 563928665 /nfs/dbraw/zinc/92/86/65/563928665.db2.gz IGCZDRNFMRLHGQ-UHFFFAOYSA-N 0 0 323.783 3.888 50 0 DHAARN O=C(NCCCCC(F)(F)F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000225502261 563928903 /nfs/dbraw/zinc/92/89/03/563928903.db2.gz FMPQBXJYCMWBPG-HOCLYGCPSA-N 0 0 311.347 3.739 50 0 DHAARN O=C(CCSc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000012957880 563929075 /nfs/dbraw/zinc/92/90/75/563929075.db2.gz QKVAWIOJZPCXTE-UHFFFAOYSA-N 0 0 304.342 3.920 50 0 DHAARN CN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 ZINC000013041011 563929219 /nfs/dbraw/zinc/92/92/19/563929219.db2.gz ALTWOSUVDVZYOJ-UHFFFAOYSA-N 0 0 306.768 3.550 50 0 DHAARN Cc1cccc(Cn2c3ccccc3nc2-c2ccc[nH]c2=O)c1 ZINC000013125643 563929310 /nfs/dbraw/zinc/92/93/10/563929310.db2.gz GNGRVPISUMNWMV-UHFFFAOYSA-N 0 0 315.376 3.748 50 0 DHAARN CC(C)n1nccc1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000078673808 563929732 /nfs/dbraw/zinc/92/97/32/563929732.db2.gz JQUVGCNEEQWTNU-UHFFFAOYSA-N 0 0 322.368 3.904 50 0 DHAARN Cc1nc(S(=O)(=O)Cc2c(F)cccc2Cl)sc1C ZINC000078810410 563929834 /nfs/dbraw/zinc/92/98/34/563929834.db2.gz ONMRSKNYPFGOLB-UHFFFAOYSA-N 0 0 319.810 3.526 50 0 DHAARN CCN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](C)COC ZINC000078780327 563929868 /nfs/dbraw/zinc/92/98/68/563929868.db2.gz NFHFSTYUQAOGBO-AWEZNQCLSA-N 0 0 309.409 3.755 50 0 DHAARN Cc1oc(-c2ccco2)nc1Cn1ccc(=O)c2sccc21 ZINC000078950661 563930001 /nfs/dbraw/zinc/93/00/01/563930001.db2.gz YUHJJQJHTAFNDX-UHFFFAOYSA-N 0 0 312.350 3.668 50 0 DHAARN C[C@@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)c1cccs1 ZINC000078942367 563930030 /nfs/dbraw/zinc/93/00/30/563930030.db2.gz NADPLPGPGFFUIC-GXFFZTMASA-N 0 0 321.471 3.759 50 0 DHAARN CCn1c2ccccc2nc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000027923498 563930119 /nfs/dbraw/zinc/93/01/19/563930119.db2.gz CPXXGNZCEDRJPC-CABCVRRESA-N 0 0 305.381 3.798 50 0 DHAARN Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3cccs3)nc12 ZINC000079053182 563930210 /nfs/dbraw/zinc/93/02/10/563930210.db2.gz IWDPCBFQZWROMG-YUNKPMOVSA-N 0 0 304.440 3.714 50 0 DHAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc2[nH]ccc21 ZINC000079486294 563930398 /nfs/dbraw/zinc/93/03/98/563930398.db2.gz IXHZHKFKFMVKGH-UHFFFAOYSA-N 0 0 319.364 3.547 50 0 DHAARN Cn1nc(-c2cccs2)cc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000079501943 563930408 /nfs/dbraw/zinc/93/04/08/563930408.db2.gz GLKFGRZFAUEZBS-UHFFFAOYSA-N 0 0 322.393 3.882 50 0 DHAARN Cc1ccsc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C(C)C 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/nfs/dbraw/zinc/94/70/15/563947015.db2.gz UFIDIODLXDIBPK-UHFFFAOYSA-N 0 0 324.449 3.940 50 0 DHAARN Cc1nnc(SCc2cc(-c3ccccc3)on2)n1C1CC1 ZINC000008229794 563947147 /nfs/dbraw/zinc/94/71/47/563947147.db2.gz XZPPACOHSCXUNC-UHFFFAOYSA-N 0 0 312.398 3.869 50 0 DHAARN COc1ccc(CC(=O)Nc2cccc(Cl)c2)c(OC)c1 ZINC000008274730 563947584 /nfs/dbraw/zinc/94/75/84/563947584.db2.gz ODKQEPAJNPLXRH-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN O=C(C1CCCCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066772257 563947602 /nfs/dbraw/zinc/94/76/02/563947602.db2.gz UGGVENYDMLNESC-MRXNPFEDSA-N 0 0 315.413 3.702 50 0 DHAARN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccccc1 ZINC000066803557 563947652 /nfs/dbraw/zinc/94/76/52/563947652.db2.gz HIMQAXKJDCPJIV-UHFFFAOYSA-N 0 0 318.380 3.534 50 0 DHAARN Cc1csc(C2([NH2+]Cc3ccc(C(=O)[O-])cc3)CCCC2)n1 ZINC000263568300 563947663 /nfs/dbraw/zinc/94/76/63/563947663.db2.gz GYBMYPALTGGUAT-UHFFFAOYSA-N 0 0 316.426 3.709 50 0 DHAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1cccc(F)c1 ZINC000008320666 563947867 /nfs/dbraw/zinc/94/78/67/563947867.db2.gz OBFZXUMRTOXFMF-AWEZNQCLSA-N 0 0 304.390 3.663 50 0 DHAARN COc1ccccc1NC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000008320510 563947913 /nfs/dbraw/zinc/94/79/13/563947913.db2.gz XYFLBZZLTBROFI-CQSZACIVSA-N 0 0 316.426 3.532 50 0 DHAARN O=C(CCC(=O)c1cccs1)NCCSc1ccccc1 ZINC000008361018 563948110 /nfs/dbraw/zinc/94/81/10/563948110.db2.gz ACMXFNJAFOEBEQ-UHFFFAOYSA-N 0 0 319.451 3.620 50 0 DHAARN CCN(C(=O)Cc1csc(-c2ccccn2)n1)[C@@H](C)C(C)C ZINC000067114232 563948444 /nfs/dbraw/zinc/94/84/44/563948444.db2.gz CORYIFIKCWDJHX-ZDUSSCGKSA-N 0 0 317.458 3.641 50 0 DHAARN CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCCOC3)cc2s1 ZINC000171587096 563948467 /nfs/dbraw/zinc/94/84/67/563948467.db2.gz BFMCDSQXJKMCLQ-GFCCVEGCSA-N 0 0 319.430 3.720 50 0 DHAARN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2c2ccco2)c1 ZINC000067056730 563948471 /nfs/dbraw/zinc/94/84/71/563948471.db2.gz WAZQEWCLKXTHHK-NEPJUHHUSA-N 0 0 318.760 3.634 50 0 DHAARN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000067052781 563948478 /nfs/dbraw/zinc/94/84/78/563948478.db2.gz REIQLSUTOZDVPO-ROUUACIJSA-N 0 0 321.355 3.754 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1 ZINC000067208100 563948698 /nfs/dbraw/zinc/94/86/98/563948698.db2.gz VFRNRTBEIAAGSC-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN CCSc1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC000008493688 563948759 /nfs/dbraw/zinc/94/87/59/563948759.db2.gz NHNSKJUNVWKCIE-UHFFFAOYSA-N 0 0 315.438 3.780 50 0 DHAARN CC(C)C(=O)Nc1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000008559165 563949170 /nfs/dbraw/zinc/94/91/70/563949170.db2.gz ZBFJTZNRIPJAHY-UHFFFAOYSA-N 0 0 307.353 3.998 50 0 DHAARN CC(C)CCNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000008583046 563949233 /nfs/dbraw/zinc/94/92/33/563949233.db2.gz MLFFOUYPWXAEID-UHFFFAOYSA-N 0 0 315.808 3.927 50 0 DHAARN Cc1c([C@@H](C)NCc2ccccn2)cnn1-c1ccc(F)cc1 ZINC000067504635 563949375 /nfs/dbraw/zinc/94/93/75/563949375.db2.gz KWKVMKBNYKIMRY-CYBMUJFWSA-N 0 0 310.376 3.566 50 0 DHAARN CCc1nnc2c3ccccc3nc(Nc3ccccc3OC)n12 ZINC000008594619 563949383 /nfs/dbraw/zinc/94/93/83/563949383.db2.gz WAWUEBBABVEGTO-UHFFFAOYSA-N 0 0 319.368 3.592 50 0 DHAARN Cc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1C ZINC000008587484 563949392 /nfs/dbraw/zinc/94/93/92/563949392.db2.gz CKHQQOMJKAXFRA-UHFFFAOYSA-N 0 0 311.316 3.745 50 0 DHAARN O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1CCCC2 ZINC000008606926 563949421 /nfs/dbraw/zinc/94/94/21/563949421.db2.gz NHOJQCBLFUKOTJ-UHFFFAOYSA-N 0 0 306.818 3.594 50 0 DHAARN Cc1cc(C)cc(CN[C@H](c2nccn2C)c2ccccc2)c1 ZINC000067448637 563949451 /nfs/dbraw/zinc/94/94/51/563949451.db2.gz LFOAVHIMTJZEOX-IBGZPJMESA-N 0 0 305.425 3.916 50 0 DHAARN Cc1ccc2oc(=O)c(-c3nc(-c4cccs4)no3)cc2c1 ZINC000008619015 563949590 /nfs/dbraw/zinc/94/95/90/563949590.db2.gz SSMFNPNJUIKRCA-UHFFFAOYSA-N 0 0 310.334 3.880 50 0 DHAARN Cc1cc(C)cc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000008708295 563949903 /nfs/dbraw/zinc/94/99/03/563949903.db2.gz CSCLUSLUKQRWDD-CYBMUJFWSA-N 0 0 314.351 3.516 50 0 DHAARN FC(F)(F)c1nc2ccccc2n1Cc1nnsc1Cl ZINC000067767807 563949928 /nfs/dbraw/zinc/94/99/28/563949928.db2.gz JUGOORBZUXHTAN-UHFFFAOYSA-N 0 0 318.711 3.608 50 0 DHAARN CCSc1nnc(NC(=O)c2cc(C)c(CC)s2)s1 ZINC000008709197 563949959 /nfs/dbraw/zinc/94/99/59/563949959.db2.gz UJQSOJUORYDURE-UHFFFAOYSA-N 0 0 313.473 3.835 50 0 DHAARN O=C(CNc1ccccc1Oc1ccccc1)NC1CCCC1 ZINC000008724722 563950167 /nfs/dbraw/zinc/95/01/67/563950167.db2.gz SRRITIQQTFPHHO-UHFFFAOYSA-N 0 0 310.397 3.950 50 0 DHAARN CN(c1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000008756206 563950664 /nfs/dbraw/zinc/95/06/64/563950664.db2.gz YHVVUFRCTWSULU-UHFFFAOYSA-N 0 0 322.238 3.880 50 0 DHAARN CCC(=O)N1CCCc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000008768670 563950719 /nfs/dbraw/zinc/95/07/19/563950719.db2.gz ZBUBJAKQJRDBCV-UHFFFAOYSA-N 0 0 322.408 3.937 50 0 DHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000008767356 563950740 /nfs/dbraw/zinc/95/07/40/563950740.db2.gz AMBOTYQGZMFWEO-UHFFFAOYSA-N 0 0 322.286 3.916 50 0 DHAARN Cc1cccc(-c2nc(CC(=O)NCc3ccco3)cs2)c1 ZINC000008776340 563950827 /nfs/dbraw/zinc/95/08/27/563950827.db2.gz BLLZZXAEQTZUAH-UHFFFAOYSA-N 0 0 312.394 3.570 50 0 DHAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCCCCC1 ZINC000008855693 563950918 /nfs/dbraw/zinc/95/09/18/563950918.db2.gz NMEKZXAHYULQIV-UHFFFAOYSA-N 0 0 313.422 3.995 50 0 DHAARN O=C(Nc1nnc(-c2ccco2)s1)Nc1ccc(F)cc1 ZINC000008914892 563951332 /nfs/dbraw/zinc/95/13/32/563951332.db2.gz MYEFTGYDTLRNGC-UHFFFAOYSA-N 0 0 304.306 3.581 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000008943427 563951469 /nfs/dbraw/zinc/95/14/69/563951469.db2.gz GLIHLPSHDNGRLU-UHFFFAOYSA-N 0 0 315.394 3.584 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1 ZINC000008936879 563951470 /nfs/dbraw/zinc/95/14/70/563951470.db2.gz GHTCLBLXFNJPLI-UHFFFAOYSA-N 0 0 304.393 3.558 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000008959135 563951769 /nfs/dbraw/zinc/95/17/69/563951769.db2.gz YOQDBEXJZWANRP-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN Fc1cccc(C2N=NC(=S)N2c2cccc3ncccc32)c1 ZINC000008992551 563951929 /nfs/dbraw/zinc/95/19/29/563951929.db2.gz CVLQELVWMWBDRE-UHFFFAOYSA-N 0 0 322.368 3.910 50 0 DHAARN Cc1ccc([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 ZINC000069347558 563952399 /nfs/dbraw/zinc/95/23/99/563952399.db2.gz GBLPIIAYHWLXGV-OAHLLOKOSA-N 0 0 309.369 3.975 50 0 DHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)s1 ZINC000009114141 563952472 /nfs/dbraw/zinc/95/24/72/563952472.db2.gz VWFYPXUYRJNGHF-UHFFFAOYSA-N 0 0 324.789 3.621 50 0 DHAARN COc1cccc(N=c2scc(C)n2Cc2ccccn2)c1 ZINC000245284875 563952486 /nfs/dbraw/zinc/95/24/86/563952486.db2.gz UNGISIVVYARDMO-UHFFFAOYSA-N 0 0 311.410 3.542 50 0 DHAARN O=C(C[C@H]1C=CCC1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000069370997 563952498 /nfs/dbraw/zinc/95/24/98/563952498.db2.gz BNYUCSGCGQEDKW-AWEZNQCLSA-N 0 0 319.832 3.818 50 0 DHAARN COCc1ccccc1NC(=O)N[C@H]1CCc2ccccc2C1 ZINC000069388017 563952591 /nfs/dbraw/zinc/95/25/91/563952591.db2.gz JDZJMVFTBHFPKO-KRWDZBQOSA-N 0 0 310.397 3.512 50 0 DHAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnn(C)c1C ZINC000069385008 563952651 /nfs/dbraw/zinc/95/26/51/563952651.db2.gz DDOMSKWMFNWAQH-FUHWJXTLSA-N 0 0 311.429 3.527 50 0 DHAARN Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000069418267 563952809 /nfs/dbraw/zinc/95/28/09/563952809.db2.gz KEHRTTVQMMPZFJ-OAHLLOKOSA-N 0 0 323.396 3.723 50 0 DHAARN O=C(c1cc2ccccc2[nH]c1=O)N1CCCCc2ccccc21 ZINC000069441757 563952810 /nfs/dbraw/zinc/95/28/10/563952810.db2.gz USKOPSOJLKEZGE-UHFFFAOYSA-N 0 0 318.376 3.511 50 0 DHAARN Cc1nccn1Cc1ccc(NC(=O)Cc2ccccc2C)cc1 ZINC000069414487 563952871 /nfs/dbraw/zinc/95/28/71/563952871.db2.gz VXHBBTUYTWGPMK-UHFFFAOYSA-N 0 0 319.408 3.729 50 0 DHAARN C[C@H](Nc1cc(Cl)nc(N)n1)C12CC3CC(CC(C3)C1)C2 ZINC000069490721 563953152 /nfs/dbraw/zinc/95/31/52/563953152.db2.gz FDFLCCAHDHLZIK-HMHCLHNZSA-N 0 0 306.841 3.729 50 0 DHAARN COCCN(Cc1ccccn1)C(=O)c1cccc2ccccc21 ZINC000069528891 563953160 /nfs/dbraw/zinc/95/31/60/563953160.db2.gz PMFAXEBRFUZBES-UHFFFAOYSA-N 0 0 320.392 3.524 50 0 DHAARN CC(C)=CC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000069529329 563953190 /nfs/dbraw/zinc/95/31/90/563953190.db2.gz UUPHCRCAFVMWRR-UHFFFAOYSA-N 0 0 300.333 3.595 50 0 DHAARN NC(=O)c1cccc(CSc2nc3ccccc3s2)c1 ZINC000069489956 563953287 /nfs/dbraw/zinc/95/32/87/563953287.db2.gz XHXDODMKDAGFJY-UHFFFAOYSA-N 0 0 300.408 3.688 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)CSCc1cccc(F)c1F ZINC000069535779 563953378 /nfs/dbraw/zinc/95/33/78/563953378.db2.gz SNXNKNMYUDBCTF-SMDDNHRTSA-N 0 0 313.413 3.893 50 0 DHAARN Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H](C)c1ccco1 ZINC000069533367 563953387 /nfs/dbraw/zinc/95/33/87/563953387.db2.gz USALSCISCPVDLZ-AWEZNQCLSA-N 0 0 311.385 3.965 50 0 DHAARN Cc1ccc(-c2nnc3ccc(NCc4ccccc4)nn32)cc1 ZINC000009135056 563953469 /nfs/dbraw/zinc/95/34/69/563953469.db2.gz OFQSJBVVHOXSPG-UHFFFAOYSA-N 0 0 315.380 3.712 50 0 DHAARN Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccn2)c1 ZINC000009155033 563953639 /nfs/dbraw/zinc/95/36/39/563953639.db2.gz CECLEMHDHLFGPN-OAHLLOKOSA-N 0 0 312.413 3.770 50 0 DHAARN O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccccc1 ZINC000009169102 563953717 /nfs/dbraw/zinc/95/37/17/563953717.db2.gz HPXZZXVMAVIDAT-UHFFFAOYSA-N 0 0 305.293 3.735 50 0 DHAARN C[C@H](c1ccccc1)N(C)C(=O)C[C@H]1OCCc2sccc21 ZINC000069617472 563953794 /nfs/dbraw/zinc/95/37/94/563953794.db2.gz ZGTNEWGMQNUAIB-CZUORRHYSA-N 0 0 315.438 3.972 50 0 DHAARN Cc1nnc([C@H](C)Sc2nnc(-c3sccc3C)o2)o1 ZINC000069590511 563953814 /nfs/dbraw/zinc/95/38/14/563953814.db2.gz KKEDVAOYVIFUKU-ZETCQYMHSA-N 0 0 308.388 3.651 50 0 DHAARN CCN(Cc1ccoc1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000069628824 563953928 /nfs/dbraw/zinc/95/39/28/563953928.db2.gz RJQNYSLHYHQKBP-UHFFFAOYSA-N 0 0 310.357 3.519 50 0 DHAARN O=C(c1ncoc1-c1cccs1)N1CC[C@H]2CCCC[C@@H]21 ZINC000069670248 563954146 /nfs/dbraw/zinc/95/41/46/563954146.db2.gz BQOIKFAFYOZFIW-NEPJUHHUSA-N 0 0 302.399 3.808 50 0 DHAARN Cc1noc2ncc(-c3nnc(-c4ccccc4Cl)o3)cc12 ZINC000069660651 563954149 /nfs/dbraw/zinc/95/41/49/563954149.db2.gz HZOPDOISQYOKLI-UHFFFAOYSA-N 0 0 312.716 3.902 50 0 DHAARN c1coc(-c2nnc(CN[C@@H](c3ccccc3)C3CCC3)o2)c1 ZINC000069705867 563954321 /nfs/dbraw/zinc/95/43/21/563954321.db2.gz FNXHKQUPWXEKGW-KRWDZBQOSA-N 0 0 309.369 3.961 50 0 DHAARN CCN(C(=O)c1ccc(Br)cc1F)c1ccncc1 ZINC000069737215 563954326 /nfs/dbraw/zinc/95/43/26/563954326.db2.gz IKPRAOIQQKRMHL-UHFFFAOYSA-N 0 0 323.165 3.650 50 0 DHAARN O=C(NCc1csc(C2CC2)n1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000069751284 563954531 /nfs/dbraw/zinc/95/45/31/563954531.db2.gz ACZJFHCHKAIFIY-GJZGRUSLSA-N 0 0 316.401 3.580 50 0 DHAARN C[C@@H]1CN(c2nc3ccccc3c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000009260854 563954556 /nfs/dbraw/zinc/95/45/56/563954556.db2.gz NZEJGHVOBBJWMQ-HUUCEWRRSA-N 0 0 319.408 3.910 50 0 DHAARN CN(CCc1cccc2ccccc21)C(=O)NCc1ccccn1 ZINC000069776299 563954588 /nfs/dbraw/zinc/95/45/88/563954588.db2.gz UIFBTXISNIFRRL-UHFFFAOYSA-N 0 0 319.408 3.619 50 0 DHAARN C[C@H](SCC(=O)NCc1ccccn1)c1ccccc1Cl ZINC000069808394 563954829 /nfs/dbraw/zinc/95/48/29/563954829.db2.gz JVHDADOHJXUZKD-LBPRGKRZSA-N 0 0 320.845 3.846 50 0 DHAARN O=C(c1ccsc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009314331 563955048 /nfs/dbraw/zinc/95/50/48/563955048.db2.gz DDSMQTURORVOKI-UHFFFAOYSA-N 0 0 312.394 3.909 50 0 DHAARN CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000069871296 563955072 /nfs/dbraw/zinc/95/50/72/563955072.db2.gz WDPRXEOEQCESBJ-JKSUJKDBSA-N 0 0 301.434 3.526 50 0 DHAARN CCc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000009322174 563955232 /nfs/dbraw/zinc/95/52/32/563955232.db2.gz NFNQUNCRYQEBDB-HNNXBMFYSA-N 0 0 308.425 3.634 50 0 DHAARN Cc1noc(C)c1NC(=O)NC[C@H](Nc1ccccc1)C(C)C ZINC000069967515 563955322 /nfs/dbraw/zinc/95/53/22/563955322.db2.gz KGWMGVRFAWORNS-HNNXBMFYSA-N 0 0 316.405 3.550 50 0 DHAARN Fc1ccc([C@H](NCc2nnc(C3CC3)o2)C2CCC2)cc1 ZINC000069949367 563955347 /nfs/dbraw/zinc/95/53/47/563955347.db2.gz HUNZPHLEHORYDO-MRXNPFEDSA-N 0 0 301.365 3.717 50 0 DHAARN Cc1ccn2cc(C(=O)N(Cc3ccccc3F)C3CC3)nc2c1 ZINC000009366911 563955556 /nfs/dbraw/zinc/95/55/56/563955556.db2.gz KYQQCGGENRVPDW-UHFFFAOYSA-N 0 0 323.371 3.587 50 0 DHAARN CC(C)c1ccc(CNc2ncc(Br)cn2)cc1 ZINC000009407465 563955784 /nfs/dbraw/zinc/95/57/84/563955784.db2.gz ICNHBBYRBLCNIN-UHFFFAOYSA-N 0 0 306.207 3.975 50 0 DHAARN Cc1ccc(-c2noc(-c3cc4cccc(O)c4oc3=O)n2)cc1 ZINC000009431144 563955948 /nfs/dbraw/zinc/95/59/48/563955948.db2.gz HGUPMCDAQCZVKG-UHFFFAOYSA-N 0 0 320.304 3.524 50 0 DHAARN O=C(CCCc1cccs1)Nc1ccc2c(c1)OCCCO2 ZINC000009446130 563955973 /nfs/dbraw/zinc/95/59/73/563955973.db2.gz XFVWXHDJFYPUCI-UHFFFAOYSA-N 0 0 317.410 3.871 50 0 DHAARN CCOc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)O1 ZINC000009453495 563956032 /nfs/dbraw/zinc/95/60/32/563956032.db2.gz STYFSKCYKNAZET-RVDMUPIBSA-N 0 0 311.312 3.569 50 0 DHAARN CCn1nc(C)c(CCNC(=O)Nc2cc(C)ccc2C)c1C ZINC000009527522 563956638 /nfs/dbraw/zinc/95/66/38/563956638.db2.gz RIJURNHGFYAZDE-UHFFFAOYSA-N 0 0 314.433 3.501 50 0 DHAARN CC(=O)N1N=C(c2ccccc2Cl)O[C@@]1(C)c1ccccc1 ZINC000009584582 563956989 /nfs/dbraw/zinc/95/69/89/563956989.db2.gz GCYNYLSUZMINRD-KRWDZBQOSA-N 0 0 314.772 3.753 50 0 DHAARN Fc1cccc(Cl)c1CSc1ccc(-n2ccnc2)nn1 ZINC000070688610 563957166 /nfs/dbraw/zinc/95/71/66/563957166.db2.gz OTVKLJLBFPJYLE-UHFFFAOYSA-N 0 0 320.780 3.747 50 0 DHAARN O=c1[nH]c2ccc(-c3csc(-c4ccc(O)cc4)n3)cc2o1 ZINC000009644220 563957301 /nfs/dbraw/zinc/95/73/01/563957301.db2.gz DGKPCKZJWWBPKI-UHFFFAOYSA-N 0 0 310.334 3.617 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2sc(C)cc2OC)c1 ZINC000070767855 563957377 /nfs/dbraw/zinc/95/73/77/563957377.db2.gz MQUOGXZYNWYYFP-UHFFFAOYSA-N 0 0 318.398 3.666 50 0 DHAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)NC3=NCCS3)cc2C1 ZINC000009740327 563957455 /nfs/dbraw/zinc/95/74/55/563957455.db2.gz YYSDBGRFHPPEHJ-LLVKDONJSA-N 0 0 322.499 3.732 50 0 DHAARN O=C(NCc1cccn1Cc1ccccc1F)Nc1ccccc1 ZINC000009723679 563957672 /nfs/dbraw/zinc/95/76/72/563957672.db2.gz PCQDGMNKDYSSDO-UHFFFAOYSA-N 0 0 323.371 3.997 50 0 DHAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccco2)n1 ZINC000009750334 563957822 /nfs/dbraw/zinc/95/78/22/563957822.db2.gz QDMOJHAHDHORQS-UHFFFAOYSA-N 0 0 314.366 3.972 50 0 DHAARN CC(C)CC(=O)Nc1cccnc1Oc1ccc2c(c1)OCO2 ZINC000071280309 563957983 /nfs/dbraw/zinc/95/79/83/563957983.db2.gz BTHVFMQRJUFTGY-UHFFFAOYSA-N 0 0 314.341 3.587 50 0 DHAARN COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1C ZINC000009897811 563958029 /nfs/dbraw/zinc/95/80/29/563958029.db2.gz CKRKZFZEKIJJNI-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN CC[C@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)CC)c1 ZINC000010036560 563958100 /nfs/dbraw/zinc/95/81/00/563958100.db2.gz BVJQSIPGIHWZLD-STQMWFEESA-N 0 0 320.437 3.835 50 0 DHAARN C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000010203829 563958296 /nfs/dbraw/zinc/95/82/96/563958296.db2.gz JCPVSVLLMHREGQ-SNVBAGLBSA-N 0 0 316.382 3.628 50 0 DHAARN O=C(NCC1(c2ccccc2)CCC1)c1cccnc1Cl ZINC000010221303 563958419 /nfs/dbraw/zinc/95/84/19/563958419.db2.gz DIXIWTZDYFOYAX-UHFFFAOYSA-N 0 0 300.789 3.587 50 0 DHAARN Cc1ccc(NC(=O)NCCCc2nc3ccccc3[nH]2)cc1 ZINC000010260975 563958442 /nfs/dbraw/zinc/95/84/42/563958442.db2.gz CJLNGSQIFOJHGE-UHFFFAOYSA-N 0 0 308.385 3.626 50 0 DHAARN O=C([C@H]1Cc2ccccc2O1)N1CCCCC[C@H]1c1ccncc1 ZINC000071798124 563958459 /nfs/dbraw/zinc/95/84/59/563958459.db2.gz QTEBCRKIHMKIFT-PKOBYXMFSA-N 0 0 322.408 3.529 50 0 DHAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1O ZINC000071792664 563958521 /nfs/dbraw/zinc/95/85/21/563958521.db2.gz XYUNAMBNNOWACF-LBPRGKRZSA-N 0 0 303.789 3.808 50 0 DHAARN CC(C)c1ccc(CN(C)C(=O)Nn2cnc3ccccc32)cc1 ZINC000010403053 563958748 /nfs/dbraw/zinc/95/87/48/563958748.db2.gz VNASFOUSZWAKFR-UHFFFAOYSA-N 0 0 322.412 3.955 50 0 DHAARN Cc1ccnc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000010430595 563959012 /nfs/dbraw/zinc/95/90/12/563959012.db2.gz AEJXPIPXJLQBDN-UHFFFAOYSA-N 0 0 308.337 3.814 50 0 DHAARN CCc1ncc(C(=O)N2CCCCC[C@@H]2c2ccncc2)s1 ZINC000071830951 563959074 /nfs/dbraw/zinc/95/90/74/563959074.db2.gz DKLUEUOBJYEEQZ-CQSZACIVSA-N 0 0 315.442 3.858 50 0 DHAARN O=C(N[C@@H]1CCC[C@H]1n1ccnc1)c1ccc2ccccc2c1 ZINC000071843154 563959225 /nfs/dbraw/zinc/95/92/25/563959225.db2.gz HZMOIRFFGTTYLX-QZTJIDSGSA-N 0 0 305.381 3.560 50 0 DHAARN COc1cc(CC(=O)Nc2cccc3cccnc32)ccc1C ZINC000010448157 563959276 /nfs/dbraw/zinc/95/92/76/563959276.db2.gz DUSXUFHIHIFBPC-UHFFFAOYSA-N 0 0 306.365 3.733 50 0 DHAARN Cc1cc(COC(=O)c2cc3cc(Cl)ccc3nc2C)no1 ZINC000010468785 563959431 /nfs/dbraw/zinc/95/94/31/563959431.db2.gz XBZDJRNIIJQESX-UHFFFAOYSA-N 0 0 316.744 3.850 50 0 DHAARN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000010508219 563959509 /nfs/dbraw/zinc/95/95/09/563959509.db2.gz WZYYYCHHIPBBMG-UHFFFAOYSA-N 0 0 305.809 3.570 50 0 DHAARN Nc1nccc(-c2ccc(-c3ccccc3C(F)(F)F)nc2)n1 ZINC000390822245 563960569 /nfs/dbraw/zinc/96/05/69/563960569.db2.gz DALBVTLGWLUOIT-UHFFFAOYSA-N 0 0 316.286 3.807 50 0 DHAARN Cc1ccc(OCc2cccc(C(=O)N3CCCCC3)c2)nc1 ZINC000077240611 563960713 /nfs/dbraw/zinc/96/07/13/563960713.db2.gz IQOMKVFVPYSSGC-UHFFFAOYSA-N 0 0 310.397 3.595 50 0 DHAARN CCO[C@H](C)c1nc(CN(Cc2ccco2)C2CC2)cs1 ZINC000076718381 563960789 /nfs/dbraw/zinc/96/07/89/563960789.db2.gz LIYQIYNOAVFJBH-GFCCVEGCSA-N 0 0 306.431 3.998 50 0 DHAARN O=C1CCCN1C[C@@H](Nc1nc2ccccc2o1)c1ccccc1 ZINC000078333861 563961031 /nfs/dbraw/zinc/96/10/31/563961031.db2.gz ATNRXPKNINDQGI-MRXNPFEDSA-N 0 0 321.380 3.603 50 0 DHAARN CCOC(=O)[C@@H](C(C)=O)C1c2ccccc2Oc2ccccc21 ZINC000039264025 563962011 /nfs/dbraw/zinc/96/20/11/563962011.db2.gz MKNUBTAREXENAR-KRWDZBQOSA-N 0 0 310.349 3.693 50 0 DHAARN Cc1cccc(C(=O)N[C@H](c2cccs2)c2ccccc2)n1 ZINC000025775690 568412761 /nfs/dbraw/zinc/41/27/61/568412761.db2.gz SDWOJCYFXDNUNG-KRWDZBQOSA-N 0 0 308.406 3.971 50 0 DHAARN CC(C)c1cc(C(=O)NCc2ccccn2)c2ccccc2n1 ZINC000025705834 568412812 /nfs/dbraw/zinc/41/28/12/568412812.db2.gz NNABMZFDWHJNEJ-UHFFFAOYSA-N 0 0 305.381 3.683 50 0 DHAARN CCOc1ccc([C@@H]2CC(c3ccccc3)=NC(=S)N2)cc1 ZINC000051329814 568415014 /nfs/dbraw/zinc/41/50/14/568415014.db2.gz JFEYCLYTWSZWON-KRWDZBQOSA-N 0 0 310.422 3.645 50 0 DHAARN COc1ncccc1NC(=O)c1oc2ccc(F)cc2c1C ZINC000049056177 568415632 /nfs/dbraw/zinc/41/56/32/568415632.db2.gz OLCWGIOVSKMDGM-UHFFFAOYSA-N 0 0 300.289 3.536 50 0 DHAARN CCOc1ccccc1O[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000015363604 568417504 /nfs/dbraw/zinc/41/75/04/568417504.db2.gz LFAKEUXLVZOGTH-CYBMUJFWSA-N 0 0 317.360 3.939 50 0 DHAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2o1 ZINC000012753325 568417807 /nfs/dbraw/zinc/41/78/07/568417807.db2.gz MLFXJOHLRMJOIT-GFCCVEGCSA-N 0 0 309.369 3.884 50 0 DHAARN Cc1occc1C1N=NC(=S)N1Cc1ccc(Cl)cc1 ZINC000006921392 568418942 /nfs/dbraw/zinc/41/89/42/568418942.db2.gz QISFIBNFSMDIPJ-UHFFFAOYSA-N 0 0 305.790 3.837 50 0 DHAARN Cc1ccsc1C(=O)Nc1cccn2nc(C3CCC3)nc12 ZINC000065283739 568419443 /nfs/dbraw/zinc/41/94/43/568419443.db2.gz WEHTXVIGIDDSSP-UHFFFAOYSA-N 0 0 312.398 3.619 50 0 DHAARN O=C(N[C@H]1CCC[C@H]1n1ccnc1)c1csc2ccccc12 ZINC000071795575 568419811 /nfs/dbraw/zinc/41/98/11/568419811.db2.gz IYUAAEWCLHNWJX-LSDHHAIUSA-N 0 0 311.410 3.621 50 0 DHAARN CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc[nH]2)cc1 ZINC000071820039 568419815 /nfs/dbraw/zinc/41/98/15/568419815.db2.gz GMGMNFDTKXBKQV-UHFFFAOYSA-N 0 0 305.381 3.903 50 0 DHAARN COC(=O)c1sccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000001055593 568420404 /nfs/dbraw/zinc/42/04/04/568420404.db2.gz UTVAUYFTMRULHJ-UHFFFAOYSA-N 0 0 321.423 3.727 50 0 DHAARN Cc1cnc(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000054653511 568420972 /nfs/dbraw/zinc/42/09/72/568420972.db2.gz KXFATDALQCOABA-UONOGXRCSA-N 0 0 302.399 3.558 50 0 DHAARN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)c1cccnc1 ZINC000154027136 568421475 /nfs/dbraw/zinc/42/14/75/568421475.db2.gz FAQBNHALURRGKW-NSHDSACASA-N 0 0 308.337 3.773 50 0 DHAARN O=C(NCCc1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000012583437 1013045844 /nfs/dbraw/zinc/04/58/44/1013045844.db2.gz QJUFUMOUELKGSB-UHFFFAOYSA-N 0 0 310.731 3.982 50 0 DHAARN C[C@@H]1CCN(C(=O)Nc2ccncc2F)[C@H]1c1cccc(F)c1 ZINC000184223116 1013425171 /nfs/dbraw/zinc/42/51/71/1013425171.db2.gz XCNICYFQMBKQAJ-BDJLRTHQSA-N 0 0 317.339 3.975 50 0 DHAARN CCCc1cc(Oc2ccc(OC(C)C)cc2)n2ncnc2n1 ZINC000117326623 1014470286 /nfs/dbraw/zinc/47/02/86/1014470286.db2.gz OZWVOFSIIYMSIA-UHFFFAOYSA-N 0 0 312.373 3.656 50 0 DHAARN O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccsc1)C1CC1 ZINC000067330024 1014670846 /nfs/dbraw/zinc/67/08/46/1014670846.db2.gz GCUVUOWOCXUDJE-UHFFFAOYSA-N 0 0 323.421 3.943 50 0 DHAARN Cc1cc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)on1 ZINC000097086521 1015063522 /nfs/dbraw/zinc/06/35/22/1015063522.db2.gz JFMBQQZSPMQSHW-LBPRGKRZSA-N 0 0 324.302 3.632 50 0 DHAARN C/C=C/COC(=O)c1ccc(OCc2csc(C)n2)cc1 ZINC000036395745 1015392195 /nfs/dbraw/zinc/39/21/95/1015392195.db2.gz CMSZOWGCFMUHDP-ONEGZZNKSA-N 0 0 303.383 3.763 50 0 DHAARN CCc1cccc(C)c1NCc1cc(-c2cnn(C)c2C)no1 ZINC000185065994 1016530962 /nfs/dbraw/zinc/53/09/62/1016530962.db2.gz GMQRMBOBJNCYPC-UHFFFAOYSA-N 0 0 310.401 3.866 50 0 DHAARN Cc1csc([C@@H]2CN(Cc3cc(Cl)cs3)CCO2)n1 ZINC000194370463 1016696652 /nfs/dbraw/zinc/69/66/52/1016696652.db2.gz GQTQRWOJCCSBLA-LBPRGKRZSA-N 0 0 314.863 3.740 50 0 DHAARN CC(C)Nc1cccc(CNC(=O)/C=C/c2cccs2)c1 ZINC000079073873 1016881458 /nfs/dbraw/zinc/88/14/58/1016881458.db2.gz JFFQRIMDSVHZLN-CMDGGOBGSA-N 0 0 300.427 3.898 50 0 DHAARN COCCC1(CNC(=O)c2ccc3cc[nH]c3c2)CCCCC1 ZINC000185398497 1016898608 /nfs/dbraw/zinc/89/86/08/1016898608.db2.gz RFXHWRQDKKMYCL-UHFFFAOYSA-N 0 0 314.429 3.885 50 0 DHAARN CCc1nc(COc2ccnc3cc(OC)ccc32)cs1 ZINC000072921103 1016998637 /nfs/dbraw/zinc/99/86/37/1016998637.db2.gz WSADSZHQWVUNLM-UHFFFAOYSA-N 0 0 300.383 3.841 50 0 DHAARN COc1cccc(SCC(=O)N(C)Cc2ccc(F)cc2)c1 ZINC000043813379 1032271879 /nfs/dbraw/zinc/27/18/79/1032271879.db2.gz GKADDEMSUSQGJE-UHFFFAOYSA-N 0 0 319.401 3.585 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1 ZINC000006566969 1032477061 /nfs/dbraw/zinc/47/70/61/1032477061.db2.gz WIZQLWLFKSMKAO-UHFFFAOYSA-N 0 0 304.353 3.616 50 0 DHAARN CC(C)c1nnc(NC(=O)/C=C\c2c(F)cccc2F)s1 ZINC000049612424 1017303177 /nfs/dbraw/zinc/30/31/77/1017303177.db2.gz MSONNZXYIPJBQO-SREVYHEPSA-N 0 0 309.341 3.592 50 0 DHAARN CCn1c(C)cc(C(=O)N2CCC(c3ccncc3)CC2)c1C ZINC000192269801 1032505271 /nfs/dbraw/zinc/50/52/71/1032505271.db2.gz VKALPDKMZFVLLY-UHFFFAOYSA-N 0 0 311.429 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50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000078883131 185122596 /nfs/dbraw/zinc/12/25/96/185122596.db2.gz MBQUHLSRVOYWDI-OLZOCXBDSA-N 0 0 323.318 3.788 50 0 DHAARN CC(C)[C@@H](CCO)Nc1ccnc2cc(Br)ccc21 ZINC000078903472 185126243 /nfs/dbraw/zinc/12/62/43/185126243.db2.gz GTQMVQNQVYQQCK-CYBMUJFWSA-N 0 0 323.234 3.816 50 0 DHAARN O=C(NCCOCc1ccccc1)Nc1ccc2[nH]ccc2c1 ZINC000078973986 185138227 /nfs/dbraw/zinc/13/82/27/185138227.db2.gz OVSNSZQYXFTWDO-UHFFFAOYSA-N 0 0 309.369 3.506 50 0 DHAARN C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)c1nccs1 ZINC000079032461 185147682 /nfs/dbraw/zinc/14/76/82/185147682.db2.gz BAEJQSBATGCJBT-SNVBAGLBSA-N 0 0 324.833 3.831 50 0 DHAARN Cc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)nc1 ZINC000079094346 185157549 /nfs/dbraw/zinc/15/75/49/185157549.db2.gz AHPNAUWINBHYNW-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN O=C(C[C@@H]1CCCCCN1C(=O)c1cccs1)c1ccco1 ZINC000079103362 185158605 /nfs/dbraw/zinc/15/86/05/185158605.db2.gz ONFXCITWQYOQLD-ZDUSSCGKSA-N 0 0 317.410 3.999 50 0 DHAARN COc1cc(C)ccc1OCC(=O)N(C)c1ccc(C)cc1C ZINC000079160733 185160797 /nfs/dbraw/zinc/16/07/97/185160797.db2.gz MNHKBCKEVNKWPM-UHFFFAOYSA-N 0 0 313.397 3.662 50 0 DHAARN COc1cccc(CNc2cc(C(=O)NC3CC3)ccc2C)c1 ZINC000079171613 185160808 /nfs/dbraw/zinc/16/08/08/185160808.db2.gz WAZHQLPAMLUSSY-UHFFFAOYSA-N 0 0 310.397 3.508 50 0 DHAARN C[S@](=O)Cc1cc(NC(=O)C[C@@H]2C=CCC2)ccc1Cl ZINC000079361159 185167062 /nfs/dbraw/zinc/16/70/62/185167062.db2.gz SOYWLCMFAANCJG-BIBXISHDSA-N 0 0 311.834 3.513 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1cccc(Oc2ncccn2)c1 ZINC000082230695 185174324 /nfs/dbraw/zinc/17/43/24/185174324.db2.gz LKXQBEBSEZYTLY-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN Cc1sc(Br)nc1C(=O)OC[C@H]1CC=CCC1 ZINC000328596150 231235951 /nfs/dbraw/zinc/23/59/51/231235951.db2.gz VCPMYGIMUBFIEA-VIFPVBQESA-N 0 0 316.220 3.727 50 0 DHAARN CN(C(=O)CNc1cc(Cl)cc(F)c1F)C1CCCCC1 ZINC000328599955 231237219 /nfs/dbraw/zinc/23/72/19/231237219.db2.gz UWRKKKRDJWBCOQ-UHFFFAOYSA-N 0 0 316.779 3.821 50 0 DHAARN COc1ccc(NC(=O)/C=C\Sc2ccccc2)c(OC)c1 ZINC000096911736 185391161 /nfs/dbraw/zinc/39/11/61/185391161.db2.gz KXGNPPLEUKOKEP-KHPPLWFESA-N 0 0 315.394 3.948 50 0 DHAARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)NCc1ccco1 ZINC000096924988 185391652 /nfs/dbraw/zinc/39/16/52/185391652.db2.gz HYWYLCRUCWVXHU-UTCJRWHESA-N 0 0 315.756 3.581 50 0 DHAARN CCOc1ccccc1/C=C\c1nc2ccccc2n(C)c1=O ZINC000096931027 185392629 /nfs/dbraw/zinc/39/26/29/185392629.db2.gz LDBWEGOYPWMWJQ-SEYXRHQNSA-N 0 0 306.365 3.503 50 0 DHAARN CCN(CCCNC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000096943933 185393488 /nfs/dbraw/zinc/39/34/88/185393488.db2.gz YJCDBHWCYYTCLI-QXMHVHEDSA-N 0 0 314.454 3.794 50 0 DHAARN CC[C@@H](NC(=O)c1cc(C)c(OC)c(C)c1)c1ccc(C)cn1 ZINC000299781229 529663019 /nfs/dbraw/zinc/66/30/19/529663019.db2.gz QWAKBABWDKCGBZ-MRXNPFEDSA-N 0 0 312.413 3.897 50 0 DHAARN CCOCc1cccc(NCc2ccc(-n3cncn3)c(C)c2)c1 ZINC000089988676 185275110 /nfs/dbraw/zinc/27/51/10/185275110.db2.gz TZDFAVDETLYAMX-UHFFFAOYSA-N 0 0 322.412 3.724 50 0 DHAARN Cc1nn(C)cc1[C@@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 ZINC000090090103 185281510 /nfs/dbraw/zinc/28/15/10/185281510.db2.gz QYWAAXOUMYDHBM-GFCCVEGCSA-N 0 0 301.438 3.938 50 0 DHAARN CCCn1ncc(C(=O)N(C)[C@H](C)c2nc(C)sc2C)c1C ZINC000082106516 192356799 /nfs/dbraw/zinc/35/67/99/192356799.db2.gz PSICPNZIDWLMDB-LLVKDONJSA-N 0 0 320.462 3.508 50 0 DHAARN Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2)c(Cl)c1 ZINC000003398376 190617771 /nfs/dbraw/zinc/61/77/71/190617771.db2.gz GEEBELYSKWCCMN-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN COc1ccc2nc(NC(=O)c3cccc(OC)c3)sc2c1 ZINC000003479325 190618058 /nfs/dbraw/zinc/61/80/58/190618058.db2.gz FNDFGNMCQOJEDG-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN COc1cc(C)ccc1OCC(=O)Nc1ccccc1SC ZINC000007990139 190629536 /nfs/dbraw/zinc/62/95/36/190629536.db2.gz IKFZPXZTQPTLHK-UHFFFAOYSA-N 0 0 317.410 3.743 50 0 DHAARN C[C@H]1CCCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 ZINC000095389290 185351189 /nfs/dbraw/zinc/35/11/89/185351189.db2.gz FPNANZYCFCLMND-HNNXBMFYSA-N 0 0 319.408 3.873 50 0 DHAARN Cc1cc(NCCc2ccc3c(c2)OCO3)nc2ccccc12 ZINC000095390041 185351240 /nfs/dbraw/zinc/35/12/40/185351240.db2.gz IXQMWMSLYFCSDA-UHFFFAOYSA-N 0 0 306.365 3.927 50 0 DHAARN CCc1cc(N2CCC[C@H](C(=O)c3sccc3C)C2)ncn1 ZINC000095390175 185351683 /nfs/dbraw/zinc/35/16/83/185351683.db2.gz YKTTWBDPEANKNQ-ZDUSSCGKSA-N 0 0 315.442 3.508 50 0 DHAARN CCSc1cccc(NC(=O)NC[C@@H](O)c2ccsc2)c1 ZINC000095399952 185354018 /nfs/dbraw/zinc/35/40/18/185354018.db2.gz WXNAVPKNEGOKGC-CQSZACIVSA-N 0 0 322.455 3.715 50 0 DHAARN O=C(Nc1ncccc1-c1ccccc1)[C@@H]1CSCCS1 ZINC000181439410 199296813 /nfs/dbraw/zinc/29/68/13/199296813.db2.gz YPHBRAPSKHWDJQ-AWEZNQCLSA-N 0 0 316.451 3.536 50 0 DHAARN O=C([C@H]1SCCc2sccc21)N1CC[C@@H](c2ccco2)C1 ZINC000095403539 185355098 /nfs/dbraw/zinc/35/50/98/185355098.db2.gz BQVLJUDQVWDOPC-ABAIWWIYSA-N 0 0 319.451 3.688 50 0 DHAARN Cc1ccc(N[C@H](C)c2cccc(F)c2)cc1NS(C)(=O)=O ZINC000095404403 185355530 /nfs/dbraw/zinc/35/55/30/185355530.db2.gz VHVXSYJOSGSATK-GFCCVEGCSA-N 0 0 322.405 3.679 50 0 DHAARN CCCC[S@@](=O)Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000095414488 185358495 /nfs/dbraw/zinc/35/84/95/185358495.db2.gz FLASLZQMIZNMKB-FQEVSTJZSA-N 0 0 308.834 3.846 50 0 DHAARN O=C(Nc1ccc(Cl)cc1Br)c1ccncc1 ZINC000095418893 185359947 /nfs/dbraw/zinc/35/99/47/185359947.db2.gz ZIXNXVZLEZHTER-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN CCCOc1cccc(C(=O)Oc2ccc(NC(C)=O)cc2)c1 ZINC000014781809 190639692 /nfs/dbraw/zinc/63/96/92/190639692.db2.gz BHLZTNQBOLRXLN-UHFFFAOYSA-N 0 0 313.353 3.653 50 0 DHAARN C[C@@H](c1cccs1)[S@](=O)Cc1noc(-c2ccccc2)n1 ZINC000095428100 185362292 /nfs/dbraw/zinc/36/22/92/185362292.db2.gz XHFNFEOSFZWVCM-MQJDWESPSA-N 0 0 318.423 3.808 50 0 DHAARN CSc1ccc(CNc2cccc(C[S@](C)=O)c2)cc1 ZINC000095429154 185362591 /nfs/dbraw/zinc/36/25/91/185362591.db2.gz GUXNCIXSKYHWMZ-HXUWFJFHSA-N 0 0 305.468 3.899 50 0 DHAARN CO[C@H](C)c1cccc(NCc2ccc([S@@](C)=O)cc2)c1 ZINC000095428994 185362694 /nfs/dbraw/zinc/36/26/94/185362694.db2.gz WIIDWTREUDMRSH-ASSNKEHSSA-N 0 0 303.427 3.744 50 0 DHAARN CCOCc1cccc(NCc2ccc(OC)c(OC)c2)c1 ZINC000095429000 185362738 /nfs/dbraw/zinc/36/27/38/185362738.db2.gz RVATVXZCGKEHTO-UHFFFAOYSA-N 0 0 301.386 3.852 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)Nc1ccc(F)c(-n2cccc2)c1 ZINC000095444924 185367368 /nfs/dbraw/zinc/36/73/68/185367368.db2.gz TYSRPEKLZPPWAA-UHFFFAOYSA-N 0 0 313.336 3.600 50 0 DHAARN Cc1ccccc1CCCN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000095448507 185368088 /nfs/dbraw/zinc/36/80/88/185368088.db2.gz ZSXUZBXGYHAMJQ-OAQYLSRUSA-N 0 0 321.420 3.644 50 0 DHAARN Cc1ncsc1CNc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000095448627 185368313 /nfs/dbraw/zinc/36/83/13/185368313.db2.gz DSPZKZWXIBFSFV-BETUJISGSA-N 0 0 317.458 3.677 50 0 DHAARN Cc1ncccc1CNc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000095448630 185368463 /nfs/dbraw/zinc/36/84/63/185368463.db2.gz SBKXJOCPEGOHHM-GASCZTMLSA-N 0 0 311.429 3.616 50 0 DHAARN CC(=O)c1csc(C(=O)OCc2cccc(C(C)=O)c2)c1 ZINC000095438205 185365815 /nfs/dbraw/zinc/36/58/15/185365815.db2.gz FCBOFMANVRKDPW-UHFFFAOYSA-N 0 0 302.351 3.510 50 0 DHAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC1CC=CC1 ZINC000095440335 185366307 /nfs/dbraw/zinc/36/63/07/185366307.db2.gz GRXXBGSGDNCQIQ-LBPRGKRZSA-N 0 0 307.463 3.996 50 0 DHAARN COc1ccccc1[C@H](C)CC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000095465759 185371927 /nfs/dbraw/zinc/37/19/27/185371927.db2.gz KTGRGFHSJKQQQN-CJNGLKHVSA-N 0 0 319.445 3.651 50 0 DHAARN CC[C@H](C)[C@H](NCc1ccc(COC)cc1)C(=O)OC(C)(C)C ZINC000095467213 185372058 /nfs/dbraw/zinc/37/20/58/185372058.db2.gz MOEGYCOWCOCQKA-YOEHRIQHSA-N 0 0 321.461 3.679 50 0 DHAARN CC[C@H](c1ccc(F)cc1F)[S@](=O)Cc1nccn1CC ZINC000097013135 185396959 /nfs/dbraw/zinc/39/69/59/185396959.db2.gz UCXHXUMXYDAAPF-SZNDQCEHSA-N 0 0 312.385 3.581 50 0 DHAARN Fc1cc(Cn2nccc2NCc2cscn2)ccc1Cl ZINC000097016240 185397434 /nfs/dbraw/zinc/39/74/34/185397434.db2.gz UVZLZKKPNWVPPY-UHFFFAOYSA-N 0 0 322.796 3.793 50 0 DHAARN CNc1ncc(C(=O)N2CCC(=Cc3ccccc3)CC2)s1 ZINC000097031968 185399313 /nfs/dbraw/zinc/39/93/13/185399313.db2.gz KIBTUMYWBOASIC-UHFFFAOYSA-N 0 0 313.426 3.504 50 0 DHAARN Cc1cc(C)n(CC(=O)Nc2c(F)cc(Cl)cc2Cl)n1 ZINC000097081438 185406825 /nfs/dbraw/zinc/40/68/25/185406825.db2.gz QPRUHBUQEIPCGX-UHFFFAOYSA-N 0 0 316.163 3.585 50 0 DHAARN CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(F)c1 ZINC000023230042 190649112 /nfs/dbraw/zinc/64/91/12/190649112.db2.gz ZXCIMALNJVBEGN-QGZVFWFLSA-N 0 0 319.401 3.524 50 0 DHAARN COc1ccc(C)c(NC(=O)NC[C@H](C)c2nc(C)cs2)c1 ZINC000097113379 185412085 /nfs/dbraw/zinc/41/20/85/185412085.db2.gz JQBHFEBQWGLSAP-NSHDSACASA-N 0 0 319.430 3.694 50 0 DHAARN CCS(=O)(=O)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000064983961 190706818 /nfs/dbraw/zinc/70/68/18/190706818.db2.gz FCAJGNZIUXDJIY-CQSZACIVSA-N 0 0 301.839 3.607 50 0 DHAARN COc1ccc(-c2nc3c(s2)CCCC3)c(OC)c1OC ZINC000067691257 190714020 /nfs/dbraw/zinc/71/40/20/190714020.db2.gz UBSQILWQSVOOSF-UHFFFAOYSA-N 0 0 305.399 3.715 50 0 DHAARN CC(C)CCC(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C ZINC000227164688 201794983 /nfs/dbraw/zinc/79/49/83/201794983.db2.gz SDCUVECULOEMSZ-UHFFFAOYSA-N 0 0 303.406 3.735 50 0 DHAARN CC[C@H](CNC(=O)c1ccc(OC)cc1)c1ccc(F)cc1 ZINC000227154697 201795390 /nfs/dbraw/zinc/79/53/90/201795390.db2.gz QGFRPKYLSHAEKJ-CYBMUJFWSA-N 0 0 301.361 3.758 50 0 DHAARN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC1CCC(=O)CC1 ZINC000170608826 197788897 /nfs/dbraw/zinc/78/88/97/197788897.db2.gz CFSJSMAXLVSDRA-CYBMUJFWSA-N 0 0 321.848 3.879 50 0 DHAARN COc1cc(C)c(-c2nc(Cn3cc(C)cn3)c(C)o2)cc1C ZINC000067774712 190721679 /nfs/dbraw/zinc/72/16/79/190721679.db2.gz LYOMSJFPNHFILC-UHFFFAOYSA-N 0 0 311.385 3.829 50 0 DHAARN Cc1cc([C@H]2NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1F ZINC000170613734 197790946 /nfs/dbraw/zinc/79/09/46/197790946.db2.gz IPVPGLMHMOUGSU-CQSZACIVSA-N 0 0 318.735 3.585 50 0 DHAARN CN(C(=O)CS[C@@H]1CCCc2ccccc21)c1nccs1 ZINC000069771754 190815367 /nfs/dbraw/zinc/81/53/67/190815367.db2.gz NZJARDOOMRBNRM-CQSZACIVSA-N 0 0 318.467 3.917 50 0 DHAARN Cc1ccccc1CC(=O)O[C@H](c1cccnc1)C(F)(F)F ZINC000069777355 190816765 /nfs/dbraw/zinc/81/67/65/190816765.db2.gz LAEFYUUEJKGVTO-OAHLLOKOSA-N 0 0 309.287 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COc1cc(C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000003510617 181028486 /nfs/dbraw/zinc/02/84/86/181028486.db2.gz XWGXVSDISOUSDV-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN CC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000003516082 181029260 /nfs/dbraw/zinc/02/92/60/181029260.db2.gz YLGSRAZUBQBWOG-UHFFFAOYSA-N 0 0 303.745 3.560 50 0 DHAARN COc1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000003549211 181032756 /nfs/dbraw/zinc/03/27/56/181032756.db2.gz CVSZKOLPJGOLAL-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 ZINC000003550657 181033280 /nfs/dbraw/zinc/03/32/80/181033280.db2.gz NALCIPROIHSLLW-UHFFFAOYSA-N 0 0 315.398 3.507 50 0 DHAARN Cc1ccc(CNC(=O)c2cccc(Br)c2)cc1 ZINC000003554477 181034074 /nfs/dbraw/zinc/03/40/74/181034074.db2.gz FZUVXOIYFKNCOH-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN Cc1cccc2sc(NC(=O)COc3cccc(F)c3)nc21 ZINC000003558960 181034778 /nfs/dbraw/zinc/03/47/78/181034778.db2.gz KQKZYLKYQINCNN-UHFFFAOYSA-N 0 0 316.357 3.761 50 0 DHAARN COc1ccc2c(CC(=O)Nc3ccc(F)cc3F)coc2c1 ZINC000003561536 181035433 /nfs/dbraw/zinc/03/54/33/181035433.db2.gz WRPZTHOBGCPJOS-UHFFFAOYSA-N 0 0 317.291 3.901 50 0 DHAARN CC1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000003583264 181037321 /nfs/dbraw/zinc/03/73/21/181037321.db2.gz IJZIIWSSQFKFAB-UHFFFAOYSA-N 0 0 301.217 3.664 50 0 DHAARN C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003583572 181037486 /nfs/dbraw/zinc/03/74/86/181037486.db2.gz AZMWBBNXIKPCML-SNVBAGLBSA-N 0 0 301.217 3.806 50 0 DHAARN Cc1ccc2nc(NC(=O)Cc3ccccc3F)sc2c1 ZINC000003592179 181038135 /nfs/dbraw/zinc/03/81/35/181038135.db2.gz VPPPSYRLNAZIQI-UHFFFAOYSA-N 0 0 300.358 3.925 50 0 DHAARN COc1ccc(CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000003615716 181041312 /nfs/dbraw/zinc/04/13/12/181041312.db2.gz MLXKOXBXMTUMCE-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN COc1ccccc1CNC(=O)Cc1coc2cc(C)ccc12 ZINC000003614818 181041497 /nfs/dbraw/zinc/04/14/97/181041497.db2.gz YZPMJZMGZWKYGS-UHFFFAOYSA-N 0 0 309.365 3.609 50 0 DHAARN O=C(CSc1nc2ccccc2o1)NC1CCCCCC1 ZINC000003618938 181042442 /nfs/dbraw/zinc/04/24/42/181042442.db2.gz CNCLSZKGZGXRNB-UHFFFAOYSA-N 0 0 304.415 3.759 50 0 DHAARN CSc1nc(-c2ccco2)nn1C(=O)c1ccccc1Cl ZINC000003647281 181043487 /nfs/dbraw/zinc/04/34/87/181043487.db2.gz QIJIKSGEXYCABQ-UHFFFAOYSA-N 0 0 319.773 3.602 50 0 DHAARN CCc1ccc(NC(=O)Cn2c(C)cc3ccccc3c2=O)cc1 ZINC000003654776 181044286 /nfs/dbraw/zinc/04/42/86/181044286.db2.gz VOINJMDZZRTDAY-UHFFFAOYSA-N 0 0 320.392 3.511 50 0 DHAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1OC(F)F ZINC000003607059 181039595 /nfs/dbraw/zinc/03/95/95/181039595.db2.gz JOQKMRJURJOJBU-UHFFFAOYSA-N 0 0 321.323 3.922 50 0 DHAARN O=C(OCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000003892236 181053083 /nfs/dbraw/zinc/05/30/83/181053083.db2.gz GUVZHLGZXUAVJF-UHFFFAOYSA-N 0 0 310.397 3.823 50 0 DHAARN COc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000003897025 181054398 /nfs/dbraw/zinc/05/43/98/181054398.db2.gz SNNXOWMJZQAKPY-JTQLQIEISA-N 0 0 302.399 3.529 50 0 DHAARN Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000003908225 181056407 /nfs/dbraw/zinc/05/64/07/181056407.db2.gz ICOABLGEOOQZAX-UHFFFAOYSA-N 0 0 322.320 3.631 50 0 DHAARN COc1ccccc1-c1cc(C(=O)Nc2cc(C)ccc2O)no1 ZINC000003908055 181056623 /nfs/dbraw/zinc/05/66/23/181056623.db2.gz UCCQOGNLHMPNBQ-UHFFFAOYSA-N 0 0 324.336 3.617 50 0 DHAARN COc1ccc(OC)c2nc(-c3ccc4c(c3)OCO4)ccc12 ZINC000004051240 181066513 /nfs/dbraw/zinc/06/65/13/181066513.db2.gz ZXFPTHSTAZIDFT-UHFFFAOYSA-N 0 0 309.321 3.648 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004006680 181061202 /nfs/dbraw/zinc/06/12/02/181061202.db2.gz ZDIVORHTMZBGDB-UHFFFAOYSA-N 0 0 312.413 3.800 50 0 DHAARN CN1CCc2c3ccccc3[nH]c2[C@@H]1C1c2ccccc2NC1=O ZINC000004090550 181072185 /nfs/dbraw/zinc/07/21/85/181072185.db2.gz KUMFBRNUUDDMCI-IBGZPJMESA-N 0 0 317.392 3.932 50 0 biogenic DHAARN O[C@](c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl ZINC000004099015 181072524 /nfs/dbraw/zinc/07/25/24/181072524.db2.gz SAPGTCDSBGMXCD-QGZVFWFLSA-N 0 0 314.747 3.553 50 0 in-vitro DHAARN Nc1nc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)n1 ZINC000004106462 181073829 /nfs/dbraw/zinc/07/38/29/181073829.db2.gz KTEMTBPJENMZEZ-UHFFFAOYSA-N 0 0 315.279 3.922 50 0 DHAARN O=C(c1ccc2c(c1)CCCC2)N1CCN(c2ccccc2)CC1 ZINC000004059538 181067949 /nfs/dbraw/zinc/06/79/49/181067949.db2.gz BWEUWJTVYACCFN-UHFFFAOYSA-N 0 0 320.436 3.528 50 0 DHAARN CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000004079476 181070463 /nfs/dbraw/zinc/07/04/63/181070463.db2.gz ZHVRLUYZXWCWME-UHFFFAOYSA-N 0 0 319.333 3.531 50 0 DHAARN O=C1c2ccccc2-c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000004114119 181075354 /nfs/dbraw/zinc/07/53/54/181075354.db2.gz AZCWGXTZLLEBKV-OAQYLSRUSA-N 0 0 300.357 3.980 50 0 DHAARN c1ccc(C[NH+]2CCC(Nc3ncnc4ccccc43)CC2)cc1 ZINC000004117927 181075617 /nfs/dbraw/zinc/07/56/17/181075617.db2.gz PKOZJSLFKWQNLD-UHFFFAOYSA-N 0 0 318.424 3.706 50 0 DHAARN Cc1ccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)cc1C ZINC000004224449 181086182 /nfs/dbraw/zinc/08/61/82/181086182.db2.gz IZNHBXRUBBSMKK-UHFFFAOYSA-N 0 0 313.426 3.584 50 0 DHAARN O=C1c2cccc3cccc(c32)C(=O)N1CCc1ccccc1 ZINC000004304430 181094793 /nfs/dbraw/zinc/09/47/93/181094793.db2.gz ZFDSPMWGSWVSQU-UHFFFAOYSA-N 0 0 301.345 3.679 50 0 DHAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1 ZINC000073250471 191296553 /nfs/dbraw/zinc/29/65/53/191296553.db2.gz QKFUZQVRMYNEJU-YOEHRIQHSA-N 0 0 307.397 3.677 50 0 DHAARN CCOc1ccc([C@@H]2CC(c3cccs3)=NN2C(C)=O)cc1 ZINC000004317909 181097060 /nfs/dbraw/zinc/09/70/60/181097060.db2.gz GOSKNFHXBINBND-INIZCTEOSA-N 0 0 314.410 3.844 50 0 DHAARN O=C(C1=NNC[C@@H]1c1cccc2ccccc21)c1ccccc1 ZINC000004336584 181099334 /nfs/dbraw/zinc/09/93/34/181099334.db2.gz VYKHORONHATJQK-GOSISDBHSA-N 0 0 300.361 3.766 50 0 DHAARN CCC[C@@H](C)[C@]1(CC)C(=O)N=C(Nc2ccc(F)cc2)NC1=O ZINC000004339343 181099882 /nfs/dbraw/zinc/09/98/82/181099882.db2.gz REOCKKDOWQLIIZ-LLVKDONJSA-N 0 0 319.380 3.923 50 0 DHAARN CCC(=O)Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000004340118 181099897 /nfs/dbraw/zinc/09/98/97/181099897.db2.gz UZOKJJOQIWAQGW-UHFFFAOYSA-N 0 0 324.332 3.784 50 0 biogenic DHAARN FC(F)(F)c1cccc(NC(=S)NCc2cccnc2)c1 ZINC000004307121 181096049 /nfs/dbraw/zinc/09/60/49/181096049.db2.gz ITTFQXBSPARXEP-UHFFFAOYSA-N 0 0 311.332 3.587 50 0 DHAARN COc1ccc(C(=O)Nc2cccc3ccc(C)nc32)c(OC)c1 ZINC000004413188 181108322 /nfs/dbraw/zinc/10/83/22/181108322.db2.gz HBKLAZVVFAOLPQ-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O ZINC000004384975 181105026 /nfs/dbraw/zinc/10/50/26/181105026.db2.gz PEAGCENQDLIFPK-CQSZACIVSA-N 0 0 305.381 3.646 50 0 DHAARN COCc1nc2ccccc2n1CCCOc1ccccc1C ZINC000004386207 181106184 /nfs/dbraw/zinc/10/61/84/181106184.db2.gz XNXLDXDRVHMHFS-UHFFFAOYSA-N 0 0 310.397 3.960 50 0 DHAARN Cc1cc(C)c(CSCCNC(=O)NC(C)(C)C)c(C)c1 ZINC000004390605 181106524 /nfs/dbraw/zinc/10/65/24/181106524.db2.gz OVVFXIQSVHAHJU-UHFFFAOYSA-N 0 0 308.491 3.943 50 0 DHAARN N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000004399099 181107298 /nfs/dbraw/zinc/10/72/98/181107298.db2.gz KELGYJLEVVPYOS-OBGWFSINSA-N 0 0 301.802 3.634 50 0 DHAARN COc1cccc(NC(=O)CCc2cccc(OC)c2Cl)c1 ZINC000004542831 181122703 /nfs/dbraw/zinc/12/27/03/181122703.db2.gz OOYYBBGBOQDCDL-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN O=C(Nc1ccc(O)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000004460575 181110560 /nfs/dbraw/zinc/11/05/60/181110560.db2.gz YOQNIAYMETWUDH-UHFFFAOYSA-N 0 0 317.344 3.876 50 0 DHAARN CCC(CC)c1nnc(NC(=O)Cc2ccc(F)cc2)s1 ZINC000004460505 181110747 /nfs/dbraw/zinc/11/07/47/181110747.db2.gz PBAVQJGUGXWOPN-UHFFFAOYSA-N 0 0 307.394 3.762 50 0 DHAARN Clc1ccc(OCCCCn2nnc3ccccc32)cc1 ZINC000004487662 181113491 /nfs/dbraw/zinc/11/34/91/181113491.db2.gz QGIHATARRHUIPZ-UHFFFAOYSA-N 0 0 301.777 3.944 50 0 DHAARN COc1cc2c(c(OC)c1)[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000004488819 181114234 /nfs/dbraw/zinc/11/42/34/181114234.db2.gz SWJCKYMUNHVECJ-LBPRGKRZSA-N 0 0 317.772 3.831 50 0 DHAARN O=C(CSc1ccccc1)Nc1nnc(-c2cccs2)o1 ZINC000004496685 181115233 /nfs/dbraw/zinc/11/52/33/181115233.db2.gz VZSULRXUPZFZPF-UHFFFAOYSA-N 0 0 317.395 3.529 50 0 DHAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OC(F)F)cc1 ZINC000004510457 181117756 /nfs/dbraw/zinc/11/77/56/181117756.db2.gz BZFPCDUXWRNKCM-UVTDQMKNSA-N 0 0 315.275 3.633 50 0 DHAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(N)=O ZINC000004516604 181118396 /nfs/dbraw/zinc/11/83/96/181118396.db2.gz QRTAMDJXMRCVRZ-GFCCVEGCSA-N 0 0 324.405 3.975 50 0 DHAARN CSc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000004517577 181119115 /nfs/dbraw/zinc/11/91/15/181119115.db2.gz WWUUBLDXOSKGOI-UHFFFAOYSA-N 0 0 304.440 3.996 50 0 DHAARN CCCCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 ZINC000004580286 181126743 /nfs/dbraw/zinc/12/67/43/181126743.db2.gz MSJWYZQCPMCPAS-UHFFFAOYSA-N 0 0 306.822 3.632 50 0 DHAARN COc1cccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)c1 ZINC000004588376 181127509 /nfs/dbraw/zinc/12/75/09/181127509.db2.gz RODUDXKFWOREBO-GDNBJRDFSA-N 0 0 313.740 3.693 50 0 DHAARN C[C@@H]1CN(C(=O)/C(=C\c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000004589535 181127921 /nfs/dbraw/zinc/12/79/21/181127921.db2.gz VZIYGZNKPNNMAY-ARHDRIAESA-N 0 0 321.420 3.863 50 0 DHAARN Cc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C)CC2=O)cc1 ZINC000004610690 181129145 /nfs/dbraw/zinc/12/91/45/181129145.db2.gz YQCLIVOVHCTQIK-INIZCTEOSA-N 0 0 323.392 3.570 50 0 DHAARN CN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O ZINC000004663118 181133694 /nfs/dbraw/zinc/13/36/94/181133694.db2.gz MIXKRUXZYSXHOW-UKTHLTGXSA-N 0 0 318.785 3.797 50 0 DHAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004667100 181133968 /nfs/dbraw/zinc/13/39/68/181133968.db2.gz AEXPCUOCUOTZML-BXKDBHETSA-N 0 0 322.257 3.850 50 0 DHAARN Fc1ccc(-c2nnc3sc(/C=C/c4ccco4)nn32)cc1 ZINC000004664960 181134049 /nfs/dbraw/zinc/13/40/49/181134049.db2.gz GACDZCGOKUFFMK-BQYQJAHWSA-N 0 0 312.329 3.755 50 0 DHAARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004667099 181134270 /nfs/dbraw/zinc/13/42/70/181134270.db2.gz AEXPCUOCUOTZML-CABZTGNLSA-N 0 0 322.257 3.850 50 0 DHAARN CCc1c(C)sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1C(=O)OC ZINC000004646428 181131588 /nfs/dbraw/zinc/13/15/88/181131588.db2.gz QSTBODVXYSWBJW-LOWVWBTDSA-N 0 0 321.442 3.780 50 0 DHAARN CC(C)(C)c1ccc(C2=N/C(=C\c3cccnc3)C(=O)O2)cc1 ZINC000004644421 181131635 /nfs/dbraw/zinc/13/16/35/181131635.db2.gz DREUVSJFZBNKNS-WJDWOHSUSA-N 0 0 306.365 3.724 50 0 DHAARN CCSc1nc(=O)c2c(-c3ccc(OC)cc3)csc2[nH]1 ZINC000004649947 181132175 /nfs/dbraw/zinc/13/21/75/181132175.db2.gz ODERWQBODACRGF-UHFFFAOYSA-N 0 0 318.423 3.772 50 0 DHAARN CC(C)c1nnc(NC(=O)CSCc2ccccc2)s1 ZINC000004702911 181139734 /nfs/dbraw/zinc/13/97/34/181139734.db2.gz HTNJMWPJUUVSBF-UHFFFAOYSA-N 0 0 307.444 3.533 50 0 DHAARN CCOC(=O)/C=C/C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004676516 181135459 /nfs/dbraw/zinc/13/54/59/181135459.db2.gz WCOOKVUVKCSIDK-OUKQBFOZSA-N 0 0 311.337 3.537 50 0 DHAARN CCN1C(=O)N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000004702428 181139799 /nfs/dbraw/zinc/13/97/99/181139799.db2.gz NKWQAIYWCVWFNB-UKTHLTGXSA-N 0 0 316.744 3.513 50 0 DHAARN CCCC(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000004681707 181135877 /nfs/dbraw/zinc/13/58/77/181135877.db2.gz NLTVULAPCSBWOR-UHFFFAOYSA-N 0 0 302.418 3.878 50 0 DHAARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O ZINC000004695941 181137632 /nfs/dbraw/zinc/13/76/32/181137632.db2.gz AFOCPTNORZQPOT-LQGZHCLWSA-N 0 0 311.790 3.880 50 0 DHAARN Cc1c(C=Cc2nc3ccccc3c(=O)[nH]2)c2ccccc2n1C ZINC000004729013 181143852 /nfs/dbraw/zinc/14/38/52/181143852.db2.gz OECDZWRAMPGSDB-VAWYXSNFSA-N 0 0 315.376 3.894 50 0 DHAARN COc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1OC ZINC000004741169 181145524 /nfs/dbraw/zinc/14/55/24/181145524.db2.gz NVYVMZCOWGGOEZ-UHFFFAOYSA-N 0 0 320.414 3.812 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnc2ccccc2n1 ZINC000004744931 181146901 /nfs/dbraw/zinc/14/69/01/181146901.db2.gz ZPXLUFHTIWDOPX-UHFFFAOYSA-N 0 0 301.708 3.675 50 0 DHAARN CCCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(OC)cc1 ZINC000004755388 181149048 /nfs/dbraw/zinc/14/90/48/181149048.db2.gz IKQAMHGGQURRNV-UHFFFAOYSA-N 0 0 309.369 3.773 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccnn1C(F)F 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CCC[NH2+]Cc1c(C)n(-c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000021024737 182261706 /nfs/dbraw/zinc/26/17/06/182261706.db2.gz OWZCGWFLUJILRG-UHFFFAOYSA-N 0 0 320.820 3.945 50 0 DHAARN Cc1c(C)n(C)c2ccc(C(=O)NCCc3ccccc3)cc12 ZINC000021163964 182267702 /nfs/dbraw/zinc/26/77/02/182267702.db2.gz FVISVFFCSSGFRE-UHFFFAOYSA-N 0 0 306.409 3.768 50 0 DHAARN CC[C@@H](C)Nc1cc(C)nc2cc(-c3ccccc3OC)nn21 ZINC000021150531 182267832 /nfs/dbraw/zinc/26/78/32/182267832.db2.gz LNQOEUQWNPQAFV-GFCCVEGCSA-N 0 0 310.401 3.924 50 0 DHAARN CC(C)(C)c1ccc(CCC(=O)NCCc2ccccn2)cc1 ZINC000021183722 182268963 /nfs/dbraw/zinc/26/89/63/182268963.db2.gz XZQMTSBTYRJNGT-UHFFFAOYSA-N 0 0 310.441 3.671 50 0 DHAARN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)o1 ZINC000021188352 182269046 /nfs/dbraw/zinc/26/90/46/182269046.db2.gz YMDQUJHHIRTGPG-CYBMUJFWSA-N 0 0 319.426 3.506 50 0 DHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc21 ZINC000021219631 182269643 /nfs/dbraw/zinc/26/96/43/182269643.db2.gz IHJNCISTIQHLQM-UHFFFAOYSA-N 0 0 320.348 3.535 50 0 DHAARN CCCc1cc([C@H]2CCCN2C(=O)Cc2cccc(F)c2)no1 ZINC000021719333 182285213 /nfs/dbraw/zinc/28/52/13/182285213.db2.gz QSDRCEVXYIDFRB-QGZVFWFLSA-N 0 0 316.376 3.672 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)no2)on1 ZINC000021718509 182285224 /nfs/dbraw/zinc/28/52/24/182285224.db2.gz HUDFMUQYQPNYRS-OAHLLOKOSA-N 0 0 323.352 3.615 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)no1 ZINC000021718695 182285426 /nfs/dbraw/zinc/28/54/26/182285426.db2.gz YFRHLHOLUKTVMS-INIZCTEOSA-N 0 0 323.352 3.615 50 0 DHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)c1ccccc1 ZINC000021555414 182279664 /nfs/dbraw/zinc/27/96/64/182279664.db2.gz JYZSMXVMFPNYIP-UHFFFAOYSA-N 0 0 323.371 3.905 50 0 DHAARN CCc1nc(COC(=O)CCc2c[nH]c3ccccc23)cs1 ZINC000021578188 182280510 /nfs/dbraw/zinc/28/05/10/182280510.db2.gz WYTRUOLFDARQDM-UHFFFAOYSA-N 0 0 314.410 3.863 50 0 DHAARN COc1ccc(C2(CNC(=O)c3ccccc3)CCCC2)cc1 ZINC000021691145 182283399 /nfs/dbraw/zinc/28/33/99/182283399.db2.gz HFPGCZYQSXFUNN-UHFFFAOYSA-N 0 0 309.409 3.937 50 0 DHAARN Clc1snnc1CSc1nnc(-c2ccccc2)o1 ZINC000021674568 182283437 /nfs/dbraw/zinc/28/34/37/182283437.db2.gz PZGWHARVUQKWQQ-UHFFFAOYSA-N 0 0 310.791 3.534 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000021791515 182288961 /nfs/dbraw/zinc/28/89/61/182288961.db2.gz VRAYFCVMAINIGP-HNNXBMFYSA-N 0 0 300.333 3.668 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)no1 ZINC000021791392 182288970 /nfs/dbraw/zinc/28/89/70/182288970.db2.gz IGUAWIHKZXSEMV-OAHLLOKOSA-N 0 0 302.349 3.914 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ccccc1F ZINC000021791309 182289082 /nfs/dbraw/zinc/28/90/82/182289082.db2.gz RYVNNRMZGGSMEP-OAHLLOKOSA-N 0 0 300.333 3.668 50 0 DHAARN CC[C@H](C(=O)n1nc(-c2ccc(C)cc2)nc1N)c1ccccc1 ZINC000021804608 182291125 /nfs/dbraw/zinc/29/11/25/182291125.db2.gz BFWIYTDNXVBAMA-INIZCTEOSA-N 0 0 320.396 3.670 50 0 DHAARN CCCC[C@H](CC)C(=O)n1nc(-c2cccc(C)c2)nc1N ZINC000021804838 182291401 /nfs/dbraw/zinc/29/14/01/182291401.db2.gz QGRFGDMYGJIDJK-ZDUSSCGKSA-N 0 0 300.406 3.692 50 0 DHAARN CC(C)OC(=O)C[C@@H](NC(=O)C1CCC1)c1ccccc1Cl ZINC000021972082 182301090 /nfs/dbraw/zinc/30/10/90/182301090.db2.gz HPTKWRCXIJUHPU-OAHLLOKOSA-N 0 0 323.820 3.639 50 0 DHAARN CCOC(=O)CSCc1csc(Nc2ccc(C)cc2)n1 ZINC000021977017 182301425 /nfs/dbraw/zinc/30/14/25/182301425.db2.gz IDNYGBQHXXUKKB-UHFFFAOYSA-N 0 0 322.455 3.991 50 0 DHAARN CCOC(CSc1ccc(Br)cc1)OCC ZINC000022006649 182303696 /nfs/dbraw/zinc/30/36/96/182303696.db2.gz PJKXVSLKUBXRSV-UHFFFAOYSA-N 0 0 305.237 3.940 50 0 DHAARN Cc1csc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000022088255 182308649 /nfs/dbraw/zinc/30/86/49/182308649.db2.gz NMHJEMULVWDAJX-RYUDHWBXSA-N 0 0 306.456 3.810 50 0 DHAARN CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc21 ZINC000021934335 182299028 /nfs/dbraw/zinc/29/90/28/182299028.db2.gz LENUQVXYGPACNB-UHFFFAOYSA-N 0 0 305.381 3.745 50 0 DHAARN Cc1cccc(C(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1 ZINC000022325956 182317768 /nfs/dbraw/zinc/31/77/68/182317768.db2.gz FMYLJOKQUXEINO-KRWDZBQOSA-N 0 0 308.425 3.514 50 0 DHAARN CC(C)CNC(=O)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000022339266 182319590 /nfs/dbraw/zinc/31/95/90/182319590.db2.gz PZWDILGPUJJMJH-UHFFFAOYSA-N 0 0 303.383 3.530 50 0 DHAARN Cc1cc(C(=O)NCc2ccccc2OC(F)F)sc1C ZINC000022373536 182319921 /nfs/dbraw/zinc/31/99/21/182319921.db2.gz LPNPZNGVVNDJCT-UHFFFAOYSA-N 0 0 311.353 3.896 50 0 DHAARN CCCCOC(=O)c1ccc(NC(=O)c2ccsc2)cc1 ZINC000022392989 182320340 /nfs/dbraw/zinc/32/03/40/182320340.db2.gz CZRALBDBOFUKBP-UHFFFAOYSA-N 0 0 303.383 3.957 50 0 DHAARN Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccc(F)cc2)OC1=O ZINC000022226177 182313819 /nfs/dbraw/zinc/31/38/19/182313819.db2.gz CZQAPMORQUMWEO-YVLHZVERSA-N 0 0 320.323 3.960 50 0 DHAARN O=C(Cc1coc(-c2ccccc2)n1)N1CCc2sccc2C1 ZINC000022597905 182326979 /nfs/dbraw/zinc/32/69/79/182326979.db2.gz IOJKJKPTPRPBGC-UHFFFAOYSA-N 0 0 324.405 3.531 50 0 DHAARN CC(C)c1noc(COC(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000022750653 182332674 /nfs/dbraw/zinc/33/26/74/182332674.db2.gz ANBLPAFRJBSCBZ-VOTSOKGWSA-N 0 0 306.749 3.603 50 0 DHAARN Cc1ccsc1C(=O)NC[C@@H](Nc1ccccc1)C(C)C ZINC000022878132 182339455 /nfs/dbraw/zinc/33/94/55/182339455.db2.gz HLLPZKMUVBBDQR-OAHLLOKOSA-N 0 0 302.443 3.923 50 0 DHAARN COc1ccc(CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000023151894 182351229 /nfs/dbraw/zinc/35/12/29/182351229.db2.gz PDNFYJZOQPMUPG-LJQANCHMSA-N 0 0 309.409 3.774 50 0 DHAARN C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000023143737 182351360 /nfs/dbraw/zinc/35/13/60/182351360.db2.gz QLRPKNHFXBLNQH-KSSFIOAISA-N 0 0 312.413 3.549 50 0 DHAARN O=C(OCCCOc1ccc(F)cc1)c1c[nH]c2ccccc21 ZINC000023298049 182356393 /nfs/dbraw/zinc/35/63/93/182356393.db2.gz FAXOPHSXEJMVDB-UHFFFAOYSA-N 0 0 313.328 3.933 50 0 DHAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)CCc2ccco2)cc1 ZINC000023042536 182345822 /nfs/dbraw/zinc/34/58/22/182345822.db2.gz PPKHCZNBSXIIFS-UHFFFAOYSA-N 0 0 314.385 3.836 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1cc2ccccc2o1 ZINC000023056067 182346418 /nfs/dbraw/zinc/34/64/18/182346418.db2.gz WOMKQDOVMRBLCK-NSHDSACASA-N 0 0 321.336 3.907 50 0 DHAARN O=C(C1CCCCC1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023384053 182359116 /nfs/dbraw/zinc/35/91/16/182359116.db2.gz MGEBFYVSCQRRFX-GOSISDBHSA-N 0 0 301.430 3.539 50 0 DHAARN O=C(C1CCCCC1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023384055 182359143 /nfs/dbraw/zinc/35/91/43/182359143.db2.gz MGEBFYVSCQRRFX-SFHVURJKSA-N 0 0 301.430 3.539 50 0 DHAARN CCC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000023743125 182367697 /nfs/dbraw/zinc/36/76/97/182367697.db2.gz VNQXKFDVCYNZLA-UHFFFAOYSA-N 0 0 324.785 3.700 50 0 DHAARN CCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000023573142 182363995 /nfs/dbraw/zinc/36/39/95/182363995.db2.gz YOVMUSJBHPSSFT-KRWDZBQOSA-N 0 0 322.408 3.835 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(-n2ccnc2)cc1 ZINC000023889626 182370025 /nfs/dbraw/zinc/37/00/25/182370025.db2.gz TZHPDKNPMOOQFO-UHFFFAOYSA-N 0 0 311.772 3.707 50 0 DHAARN Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000023954813 182370236 /nfs/dbraw/zinc/37/02/36/182370236.db2.gz WKJAYNNBDNQQIN-GFCCVEGCSA-N 0 0 312.413 3.590 50 0 DHAARN Cc1ccc(-c2noc(CN3CCc4sccc4C3)n2)cc1 ZINC000024060411 182374213 /nfs/dbraw/zinc/37/42/13/182374213.db2.gz XATIBTNFIBGBOI-UHFFFAOYSA-N 0 0 311.410 3.665 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000024746479 182389498 /nfs/dbraw/zinc/38/94/98/182389498.db2.gz LXINBNUQQCAFNF-UHFFFAOYSA-N 0 0 316.360 3.873 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000024758969 182389850 /nfs/dbraw/zinc/38/98/50/182389850.db2.gz NQGCXQLMKPGILI-SFHVURJKSA-N 0 0 308.381 3.704 50 0 DHAARN CC[C@H](C)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000024751456 182390259 /nfs/dbraw/zinc/39/02/59/182390259.db2.gz VEXFCMPKPXUBCG-VIFPVBQESA-N 0 0 310.369 3.997 50 0 DHAARN O=C(COc1ccc(F)cc1F)Nc1cccc2cnccc21 ZINC000024761256 182390265 /nfs/dbraw/zinc/39/02/65/182390265.db2.gz ZNVOVBVUTJHMRO-UHFFFAOYSA-N 0 0 314.291 3.531 50 0 DHAARN O=C(Nc1ccc(OC(=O)c2ccoc2)cc1)c1cccs1 ZINC000024470041 182381622 /nfs/dbraw/zinc/38/16/22/182381622.db2.gz ARMGQPNEIAEICU-UHFFFAOYSA-N 0 0 313.334 3.813 50 0 DHAARN C/C=C/C=C/C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024560176 182383300 /nfs/dbraw/zinc/38/33/00/182383300.db2.gz QULIGULHFWUHLY-VPRGLROMSA-N 0 0 321.424 3.557 50 0 DHAARN Cc1noc(C)c1CN(C)CC(=O)Nc1cccc2ccccc21 ZINC000024670648 182386526 /nfs/dbraw/zinc/38/65/26/182386526.db2.gz PDRNTCJPVXRSPA-UHFFFAOYSA-N 0 0 323.396 3.515 50 0 DHAARN Cc1cc(NC(=O)N[C@H](C)c2cccc(Br)c2)no1 ZINC000024688588 182387654 /nfs/dbraw/zinc/38/76/54/182387654.db2.gz OZFPKXSJJYIULN-SECBINFHSA-N 0 0 324.178 3.628 50 0 DHAARN O=C(CCc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 ZINC000024992315 182397691 /nfs/dbraw/zinc/39/76/91/182397691.db2.gz UEFACODTMQDBEF-UHFFFAOYSA-N 0 0 306.818 3.857 50 0 DHAARN CC(=O)c1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)s1 ZINC000024887098 182393573 /nfs/dbraw/zinc/39/35/73/182393573.db2.gz ZKXDYUMMKSOVFB-UHFFFAOYSA-N 0 0 311.366 3.593 50 0 DHAARN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000024923593 182394354 /nfs/dbraw/zinc/39/43/54/182394354.db2.gz FNHYRWKZCMTADH-CYBMUJFWSA-N 0 0 305.377 3.913 50 0 DHAARN O=C(Nc1ccccc1O)c1cccnc1Oc1ccccc1 ZINC000024926339 182395092 /nfs/dbraw/zinc/39/50/92/182395092.db2.gz UPHGORZXFQRXPF-UHFFFAOYSA-N 0 0 306.321 3.832 50 0 DHAARN CSCc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000024968718 182396304 /nfs/dbraw/zinc/39/63/04/182396304.db2.gz DUYWTEKYCIAHBJ-UHFFFAOYSA-N 0 0 304.440 3.747 50 0 DHAARN Cc1ccc(C(=O)OCc2cc3c(c(Cl)c2)OCO3)s1 ZINC000024950919 182396445 /nfs/dbraw/zinc/39/64/45/182396445.db2.gz UDUJDCJSHGUJAF-UHFFFAOYSA-N 0 0 310.758 3.796 50 0 DHAARN COCc1ccccc1CNC(=O)Cc1ccc2ccccc2c1 ZINC000025303619 182408285 /nfs/dbraw/zinc/40/82/85/182408285.db2.gz VHEWQRZPTHWRBG-UHFFFAOYSA-N 0 0 319.404 3.845 50 0 DHAARN COCc1ccccc1CNC(=O)c1ccc(F)cc1Cl ZINC000025304447 182408343 /nfs/dbraw/zinc/40/83/43/182408343.db2.gz VPKBEHPLLYUYNO-UHFFFAOYSA-N 0 0 307.752 3.556 50 0 DHAARN CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000025767298 182422265 /nfs/dbraw/zinc/42/22/65/182422265.db2.gz WJXHHWCHUDXSPZ-KRWDZBQOSA-N 0 0 321.417 3.642 50 0 DHAARN COc1ccc(OC)c(CN(C(=O)c2cccs2)C2CC2)c1 ZINC000025804246 182423155 /nfs/dbraw/zinc/42/31/55/182423155.db2.gz SCYLBGVOEUKUAX-UHFFFAOYSA-N 0 0 317.410 3.570 50 0 DHAARN Cc1ccccc1-c1cc[nH]c2nn(-c3ccccc3)c(=O)c1-2 ZINC000100130339 193795340 /nfs/dbraw/zinc/79/53/40/193795340.db2.gz ZAYIEGDTDUMGTK-UHFFFAOYSA-N 0 0 301.349 3.689 50 0 DHAARN O=C(NCCC1=CCCCC1)NCc1nc2ccccc2s1 ZINC000029677512 182573572 /nfs/dbraw/zinc/57/35/72/182573572.db2.gz CPUOYPHSYSGHRG-UHFFFAOYSA-N 0 0 315.442 3.986 50 0 DHAARN CC(=O)NCCc1ccc(-c2csc(C3CC3)n2)cc1F ZINC000030447135 182590105 /nfs/dbraw/zinc/59/01/05/182590105.db2.gz GORNBWDDCWGONO-UHFFFAOYSA-N 0 0 304.390 3.505 50 0 DHAARN O=C(NCCc1ccccc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000031031598 182604635 /nfs/dbraw/zinc/60/46/35/182604635.db2.gz DFMRQEJKIWMNHK-GOSISDBHSA-N 0 0 312.388 3.915 50 0 DHAARN Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)s1 ZINC000031267938 182609961 /nfs/dbraw/zinc/60/99/61/182609961.db2.gz PNGLTHFPLLPQIG-QGZVFWFLSA-N 0 0 315.438 3.642 50 0 DHAARN O=C(Nc1nccs1)c1cc(-n2cccc2)ccc1Cl ZINC000031813159 182624556 /nfs/dbraw/zinc/62/45/56/182624556.db2.gz XJNUZXJQULFNLC-UHFFFAOYSA-N 0 0 303.774 3.840 50 0 DHAARN Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(F)cc3)C2=O)cc1 ZINC000100583654 193801849 /nfs/dbraw/zinc/80/18/49/193801849.db2.gz SEDFOGDTFCJYFG-OAHLLOKOSA-N 0 0 315.369 3.558 50 0 DHAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)CCO2 ZINC000032466448 182642860 /nfs/dbraw/zinc/64/28/60/182642860.db2.gz ZDIXMFZTXFFSEA-UHFFFAOYSA-N 0 0 322.389 3.997 50 0 DHAARN C[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)c1cccs1 ZINC000032475896 182643904 /nfs/dbraw/zinc/64/39/04/182643904.db2.gz ZWGMNHRSFJNKKP-STQMWFEESA-N 0 0 315.438 3.882 50 0 DHAARN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 ZINC000032645841 182653049 /nfs/dbraw/zinc/65/30/49/182653049.db2.gz GMOZCCJXSZPVSC-RISCZKNCSA-N 0 0 312.344 3.673 50 0 DHAARN COc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000032675868 182655063 /nfs/dbraw/zinc/65/50/63/182655063.db2.gz MWZCLSJSZJHTRA-UHFFFAOYSA-N 0 0 323.392 3.786 50 0 DHAARN COc1ccc([C@H](NC(=O)c2ccoc2)c2ccccc2)cc1 ZINC000032841630 182670544 /nfs/dbraw/zinc/67/05/44/182670544.db2.gz CYNIDAIXXLHOIS-GOSISDBHSA-N 0 0 307.349 3.808 50 0 DHAARN CCC[C@@H](NC(=O)c1ccc(C(=O)OC)s1)c1ccccc1 ZINC000032906556 182677146 /nfs/dbraw/zinc/67/71/46/182677146.db2.gz BOEMIEDWLQHKTI-CYBMUJFWSA-N 0 0 317.410 3.806 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000032975237 182685858 /nfs/dbraw/zinc/68/58/58/182685858.db2.gz IVLBXQLNBVTWPJ-CYBMUJFWSA-N 0 0 320.392 3.627 50 0 DHAARN Cc1nc(-c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)no1 ZINC000032996552 182687087 /nfs/dbraw/zinc/68/70/87/182687087.db2.gz QWWIEDARMAFKDI-UHFFFAOYSA-N 0 0 315.279 3.576 50 0 DHAARN Cc1ccc(CNC(=O)[C@H](C(C)C)n2cnc3ccccc32)cc1 ZINC000032932077 182682459 /nfs/dbraw/zinc/68/24/59/182682459.db2.gz DJVJXEJRIKHTNM-IBGZPJMESA-N 0 0 321.424 3.858 50 0 DHAARN C[C@@H](NC(=O)CCc1ccco1)c1cccc(OC(F)F)c1 ZINC000032931073 182682637 /nfs/dbraw/zinc/68/26/37/182682637.db2.gz VRGSUJKPHWSULH-LLVKDONJSA-N 0 0 309.312 3.691 50 0 DHAARN O=C(Cc1cccs1)Nc1cccc(Oc2cnccn2)c1 ZINC000033136185 182694688 /nfs/dbraw/zinc/69/46/88/182694688.db2.gz KRQPXIGLBZHMKR-UHFFFAOYSA-N 0 0 311.366 3.512 50 0 DHAARN CCc1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 ZINC000101029505 193807474 /nfs/dbraw/zinc/80/74/74/193807474.db2.gz UNZGRXGWBHPYRL-SFHVURJKSA-N 0 0 302.381 3.897 50 0 DHAARN Brc1cc2cc[nH]c2c(I)c1 ZINC000034287412 182731428 /nfs/dbraw/zinc/73/14/28/182731428.db2.gz XTIOKZVOCOPDBG-UHFFFAOYSA-N 0 0 321.943 3.535 50 0 DHAARN O=C(c1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000035319050 182770724 /nfs/dbraw/zinc/77/07/24/182770724.db2.gz BORZWSKDMIEBQG-MRXNPFEDSA-N 0 0 319.364 3.714 50 0 DHAARN CC[C@@H](C)Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn21 ZINC000035477179 182776860 /nfs/dbraw/zinc/77/68/60/182776860.db2.gz QPHQDLMEJSUJIQ-GFCCVEGCSA-N 0 0 310.405 3.520 50 0 DHAARN Cc1cc(NC(=O)c2cc3occc3n2Cc2ccccc2)no1 ZINC000036354263 182818276 /nfs/dbraw/zinc/81/82/76/182818276.db2.gz GELGXJMQSZUEQI-UHFFFAOYSA-N 0 0 321.336 3.831 50 0 DHAARN O=C1C[C@H](c2ccccc2)c2ncn(-c3ccc(Cl)cc3)c2N1 ZINC000036366973 182819765 /nfs/dbraw/zinc/81/97/65/182819765.db2.gz FVMGIJPWOHLAGW-OAHLLOKOSA-N 0 0 323.783 4.000 50 0 DHAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000036620986 182830061 /nfs/dbraw/zinc/83/00/61/182830061.db2.gz ZJLYGYBJNAHLEH-KRWDZBQOSA-N 0 0 301.411 3.521 50 0 DHAARN CCC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000036694835 182835493 /nfs/dbraw/zinc/83/54/93/182835493.db2.gz KMNVHGBKKYGSDP-MRXNPFEDSA-N 0 0 311.381 3.980 50 0 DHAARN CCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(C)cc1C ZINC000037868776 182933408 /nfs/dbraw/zinc/93/34/08/182933408.db2.gz QOZGYFMWPNPRKP-UHFFFAOYSA-N 0 0 307.397 3.782 50 0 DHAARN O=C(Nc1nnc(-c2ccco2)o1)Nc1ccccc1Cl ZINC000038547861 183002290 /nfs/dbraw/zinc/00/22/90/183002290.db2.gz ZNNCSRHZHMGGCG-UHFFFAOYSA-N 0 0 304.693 3.627 50 0 DHAARN Cc1ccc(C)c(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000038833435 183011003 /nfs/dbraw/zinc/01/10/03/183011003.db2.gz ZUSNGDHSTFVZJS-UHFFFAOYSA-N 0 0 305.381 3.801 50 0 DHAARN CCOc1ccc([C@H]2CCCN2Cc2nnsc2Cl)cc1 ZINC000040009495 183027305 /nfs/dbraw/zinc/02/73/05/183027305.db2.gz DVIHFEWNNZDLRV-CQSZACIVSA-N 0 0 323.849 3.927 50 0 DHAARN CCOCc1ccccc1CNC(=O)c1ccc(Cl)cc1F ZINC000040072062 183031192 /nfs/dbraw/zinc/03/11/92/183031192.db2.gz UVEQBZMCOLHRHT-UHFFFAOYSA-N 0 0 321.779 3.946 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)NCCCn1ccc2ccccc21 ZINC000040024101 183028108 /nfs/dbraw/zinc/02/81/08/183028108.db2.gz GBGIXIBFRDMTOM-DOTOQJQBSA-N 0 0 313.445 3.909 50 0 DHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2ccccc2n1 ZINC000040017273 183028318 /nfs/dbraw/zinc/02/83/18/183028318.db2.gz SWOMFLHMXWOIAD-UHFFFAOYSA-N 0 0 320.348 3.535 50 0 DHAARN Cc1nc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2nc1C ZINC000040015966 183028374 /nfs/dbraw/zinc/02/83/74/183028374.db2.gz ZDWITFHUGBZVJQ-KRWDZBQOSA-N 0 0 317.392 3.664 50 0 DHAARN 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CCOc1ccc(-c2noc(CNc3cccc(F)c3)n2)cc1 ZINC000040071579 183031539 /nfs/dbraw/zinc/03/15/39/183031539.db2.gz LIBCKMOKSQLSJJ-UHFFFAOYSA-N 0 0 313.332 3.887 50 0 DHAARN O=C(NCCSC1CCCC1)c1ccc(F)cc1Cl ZINC000040082561 183032204 /nfs/dbraw/zinc/03/22/04/183032204.db2.gz KAKMKWHVWABCHU-UHFFFAOYSA-N 0 0 301.814 3.885 50 0 DHAARN CC[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1OC ZINC000040090473 183033399 /nfs/dbraw/zinc/03/33/99/183033399.db2.gz GUDQAZIUAJYLIJ-RISCZKNCSA-N 0 0 316.228 3.846 50 0 DHAARN CC[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1OC ZINC000040090474 183033430 /nfs/dbraw/zinc/03/34/30/183033430.db2.gz GUDQAZIUAJYLIJ-SMDDNHRTSA-N 0 0 316.228 3.846 50 0 DHAARN Cc1cc(C)c(NC(=O)c2ccc(N3CCOC3=O)cc2)c(C)c1 ZINC000040092862 183033616 /nfs/dbraw/zinc/03/36/16/183033616.db2.gz IYXQOSQXKOGWGD-UHFFFAOYSA-N 0 0 324.380 3.821 50 0 DHAARN CCc1cccc(NC(=O)N(C)Cc2ccc3c(c2)OCO3)c1 ZINC000040098828 183034804 /nfs/dbraw/zinc/03/48/04/183034804.db2.gz DONRWFIJOKAFSI-UHFFFAOYSA-N 0 0 312.369 3.642 50 0 DHAARN C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CC=CCC1 ZINC000040108453 183036153 /nfs/dbraw/zinc/03/61/53/183036153.db2.gz MYWCYOAEQYMVED-OCCSQVGLSA-N 0 0 322.246 3.853 50 0 DHAARN O=C(CCOC[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000040107351 183036521 /nfs/dbraw/zinc/03/65/21/183036521.db2.gz DMKCSJMFKJQYKB-NSHDSACASA-N 0 0 318.200 3.518 50 0 DHAARN C[C@H](Cc1ccc(Br)cc1)NC(=O)C[C@H]1C=CCC1 ZINC000040108485 183037204 /nfs/dbraw/zinc/03/72/04/183037204.db2.gz WDYHRMDSDNDQSU-OLZOCXBDSA-N 0 0 322.246 3.853 50 0 DHAARN C[C@@H]1CCc2c(sc3ncnc(NCc4nccs4)c23)C1 ZINC000040118724 183037860 /nfs/dbraw/zinc/03/78/60/183037860.db2.gz KFAAFTAPPXCHSY-SECBINFHSA-N 0 0 316.455 3.885 50 0 DHAARN COc1ccc(C2=CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000040119714 183037945 /nfs/dbraw/zinc/03/79/45/183037945.db2.gz LSLLSMRSJCMWOX-UHFFFAOYSA-N 0 0 311.356 3.764 50 0 DHAARN CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000040121122 183038021 /nfs/dbraw/zinc/03/80/21/183038021.db2.gz LWWNSQNXJYBXMJ-CQSZACIVSA-N 0 0 317.414 3.911 50 0 DHAARN O=C(Cc1noc2ccccc21)N1CCCCc2ccccc21 ZINC000040133922 183038337 /nfs/dbraw/zinc/03/83/37/183038337.db2.gz WFIWSAQYTVLRPG-UHFFFAOYSA-N 0 0 306.365 3.740 50 0 DHAARN CC(=O)c1ccc(OC(=O)C=Cc2c(F)cccc2F)cc1 ZINC000040128208 183038370 /nfs/dbraw/zinc/03/83/70/183038370.db2.gz MODRZPQMUMQYPW-MDZDMXLPSA-N 0 0 302.276 3.786 50 0 DHAARN CCCOc1ccc([C@@H](C)NC(=O)c2ccoc2C)cc1OC ZINC000040121731 183038489 /nfs/dbraw/zinc/03/84/89/183038489.db2.gz GIIMBBOSYZCRJR-GFCCVEGCSA-N 0 0 317.385 3.876 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(OC(F)F)c1 ZINC000040121339 183038526 /nfs/dbraw/zinc/03/85/26/183038526.db2.gz NULFHTPZHVYYJR-UHFFFAOYSA-N 0 0 316.307 3.951 50 0 DHAARN CC(C)Oc1ncccc1CNC(=O)c1ccc(F)cc1Cl ZINC000040121375 183038529 /nfs/dbraw/zinc/03/85/29/183038529.db2.gz LKILQSKCWUXQTG-UHFFFAOYSA-N 0 0 322.767 3.591 50 0 DHAARN CCOCCCC(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000040131722 183038849 /nfs/dbraw/zinc/03/88/49/183038849.db2.gz VNZUJHDAPNRLOA-UHFFFAOYSA-N 0 0 304.415 3.874 50 0 DHAARN C[C@H](NC(=O)COCc1ccccc1Cl)c1ccccc1F ZINC000040141144 183039062 /nfs/dbraw/zinc/03/90/62/183039062.db2.gz ZBMSKRBDYVANFR-LBPRGKRZSA-N 0 0 321.779 3.873 50 0 DHAARN Cc1nc(NCc2ccccc2)sc1C(=O)NCCC(C)C ZINC000040283175 183050501 /nfs/dbraw/zinc/05/05/01/183050501.db2.gz GKVUCCLEZYZLAD-UHFFFAOYSA-N 0 0 317.458 3.840 50 0 DHAARN Cc1csc(NC(=O)Cn2ccc3c2cccc3Cl)n1 ZINC000040287073 183051712 /nfs/dbraw/zinc/05/17/12/183051712.db2.gz GMSIKDJFHPQVRP-UHFFFAOYSA-N 0 0 305.790 3.698 50 0 DHAARN COc1ccccc1-c1ccc(=O)n(C/C=C/c2ccccc2)n1 ZINC000040287708 183051838 /nfs/dbraw/zinc/05/18/38/183051838.db2.gz DFAFNHCFEXUABB-JXMROGBWSA-N 0 0 318.376 3.632 50 0 DHAARN CC(C)CNc1nc(C(=O)Nc2ccc3[nH]ccc3c2)cs1 ZINC000040287679 183052356 /nfs/dbraw/zinc/05/23/56/183052356.db2.gz CWMMBPCFYZDJMS-UHFFFAOYSA-N 0 0 314.414 3.945 50 0 DHAARN CC[C@H]1CCCCN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000040466447 183072381 /nfs/dbraw/zinc/07/23/81/183072381.db2.gz DNZFHZKJZNXIRL-ZDUSSCGKSA-N 0 0 319.430 3.522 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)C2CCCC2)cc1OC ZINC000040488845 183079186 /nfs/dbraw/zinc/07/91/86/183079186.db2.gz MQMUNFKXAVZPPA-OAHLLOKOSA-N 0 0 303.402 3.558 50 0 DHAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCCC1 ZINC000040511881 183087141 /nfs/dbraw/zinc/08/71/41/183087141.db2.gz YSNQYPRYMWDUAC-UHFFFAOYSA-N 0 0 309.413 3.513 50 0 DHAARN CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccsc2)n1 ZINC000040534517 183094631 /nfs/dbraw/zinc/09/46/31/183094631.db2.gz IVSQRRXAEKLZNZ-ZDUSSCGKSA-N 0 0 319.430 3.551 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2ccsc2)c1C ZINC000040535808 183095614 /nfs/dbraw/zinc/09/56/14/183095614.db2.gz KWCMJLUWYNYPQY-AWEZNQCLSA-N 0 0 316.426 3.873 50 0 DHAARN Clc1ccc2c(c1)C=C(c1nnc(-c3ccncc3)o1)CO2 ZINC000040456282 183068910 /nfs/dbraw/zinc/06/89/10/183068910.db2.gz LBEAEFDWBSAMJC-UHFFFAOYSA-N 0 0 311.728 3.718 50 0 DHAARN CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000041076994 183163746 /nfs/dbraw/zinc/16/37/46/183163746.db2.gz MQJLVAFOMYCWQP-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN CC(=O)c1cccc(Nc2nc3ccccc3c(N(C)C)n2)c1 ZINC000041146968 183176914 /nfs/dbraw/zinc/17/69/14/183176914.db2.gz NRPHQYBRLMGEBU-UHFFFAOYSA-N 0 0 306.369 3.642 50 0 DHAARN CCCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000041267316 183182573 /nfs/dbraw/zinc/18/25/73/183182573.db2.gz WKQOCODYHSZKSN-UHFFFAOYSA-N 0 0 322.364 3.616 50 0 DHAARN CCc1c(C)sc2ncn([C@@H](C)Cc3cccnc3)c(=O)c12 ZINC000042496562 183277201 /nfs/dbraw/zinc/27/72/01/183277201.db2.gz HZQIRUXJORZROR-NSHDSACASA-N 0 0 313.426 3.528 50 0 DHAARN COCCN(Cc1ccsc1)C(=O)c1ccccc1SC ZINC000042382163 183262136 /nfs/dbraw/zinc/26/21/36/183262136.db2.gz MXGKJRRZPLFTAS-UHFFFAOYSA-N 0 0 321.467 3.759 50 0 DHAARN O=C(NCc1cccs1)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000042384308 183262772 /nfs/dbraw/zinc/26/27/72/183262772.db2.gz YMSYMYIGHJFREH-UHFFFAOYSA-N 0 0 300.358 3.812 50 0 DHAARN CCN(C(=O)CSc1nncc2ccccc21)c1ccccc1 ZINC000042652754 183294914 /nfs/dbraw/zinc/29/49/14/183294914.db2.gz CQJGUZHVJWWJAH-UHFFFAOYSA-N 0 0 323.421 3.775 50 0 DHAARN CC(C)Cc1noc(CN(C)Cc2nc3ccccc3s2)n1 ZINC000042679717 183295744 /nfs/dbraw/zinc/29/57/44/183295744.db2.gz JBEQANYKCOVQLG-UHFFFAOYSA-N 0 0 316.430 3.510 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccccc2C)on1 ZINC000042800545 183310715 /nfs/dbraw/zinc/31/07/15/183310715.db2.gz WCLYVXSVWVJVLI-HOCLYGCPSA-N 0 0 313.401 3.899 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccccc2C)on1 ZINC000042800537 183310878 /nfs/dbraw/zinc/31/08/78/183310878.db2.gz WCLYVXSVWVJVLI-GOEBONIOSA-N 0 0 313.401 3.899 50 0 DHAARN O=C(NCc1cccs1)N1CCCCC[C@H]1c1ccncc1 ZINC000042838654 183313029 /nfs/dbraw/zinc/31/30/29/183313029.db2.gz MVINYACLAIGDLR-INIZCTEOSA-N 0 0 315.442 3.970 50 0 DHAARN C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1ccncc1 ZINC000043185828 183343675 /nfs/dbraw/zinc/34/36/75/183343675.db2.gz DBWBNDZYVLWOFM-JSGCOSHPSA-N 0 0 301.415 3.751 50 0 DHAARN O=C(c1cccc(C2OCCO2)c1)c1ccc(Cl)c(F)c1 ZINC000043212562 183345213 /nfs/dbraw/zinc/34/52/13/183345213.db2.gz BXSDFIJIDONTKP-UHFFFAOYSA-N 0 0 306.720 3.756 50 0 DHAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000043279347 183350534 /nfs/dbraw/zinc/35/05/34/183350534.db2.gz OQANXUAAZCBJET-OAHLLOKOSA-N 0 0 315.373 3.669 50 0 DHAARN Cc1nc(C)c(C(=O)N[C@H](c2ccccc2)c2ccccn2)s1 ZINC000043549478 183371012 /nfs/dbraw/zinc/37/10/12/183371012.db2.gz GGJWGRYWJPXOJS-MRXNPFEDSA-N 0 0 323.421 3.674 50 0 DHAARN CC(C)c1noc([C@H](C)Nc2ccc3c(c2)OCCCO3)n1 ZINC000043801022 183386486 /nfs/dbraw/zinc/38/64/86/183386486.db2.gz RVDXTSHWOAUYAH-NSHDSACASA-N 0 0 303.362 3.527 50 0 DHAARN O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000043850125 183388040 /nfs/dbraw/zinc/38/80/40/183388040.db2.gz YWZAZLCVWGYEDC-UHFFFAOYSA-N 0 0 301.194 3.967 50 0 DHAARN O=C1Nc2ccccc2/C1=C\c1csc(-c2ccccn2)n1 ZINC000044013363 183392492 /nfs/dbraw/zinc/39/24/92/183392492.db2.gz ZZBANBQOKFVJRA-UKTHLTGXSA-N 0 0 305.362 3.698 50 0 DHAARN C[C@H]1c2ccsc2CCN1Cc1nc(-c2ccco2)no1 ZINC000044073303 183393245 /nfs/dbraw/zinc/39/32/45/183393245.db2.gz MBONDCCFARFCIJ-JTQLQIEISA-N 0 0 301.371 3.510 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000044106479 183394787 /nfs/dbraw/zinc/39/47/87/183394787.db2.gz ICZCCWMCMNRIRH-IUODEOHRSA-N 0 0 303.406 3.735 50 0 DHAARN C[C@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1ccccc1 ZINC000044087557 183394794 /nfs/dbraw/zinc/39/47/94/183394794.db2.gz AJLPUWXJLLXXLE-LBPRGKRZSA-N 0 0 308.341 3.619 50 0 DHAARN Cc1cc(Cl)nc(NCCc2ccc(F)c(Cl)c2)n1 ZINC000044126656 183395435 /nfs/dbraw/zinc/39/54/35/183395435.db2.gz OZRSRDQIWOPBAG-UHFFFAOYSA-N 0 0 300.164 3.886 50 0 DHAARN O=C(OCc1ccccc1)N1CCC[C@H]2c3ccccc3N[C@H]2C1 ZINC000044124278 183395684 /nfs/dbraw/zinc/39/56/84/183395684.db2.gz JZSIIQOESZCDJD-HKUYNNGSSA-N 0 0 322.408 3.997 50 0 DHAARN CN(C)[C@@H](CNC(=O)Nc1cccs1)c1ccccc1Cl ZINC000044225513 183398900 /nfs/dbraw/zinc/39/89/00/183398900.db2.gz SAGUQBKZHARUEI-ZDUSSCGKSA-N 0 0 323.849 3.826 50 0 DHAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000102319961 193875038 /nfs/dbraw/zinc/87/50/38/193875038.db2.gz KIOCQRSBAFDZKK-KRWDZBQOSA-N 0 0 324.334 3.921 50 0 DHAARN CCCCCCNC(=O)Nc1cccc(Cn2cccn2)c1 ZINC000044266946 183402334 /nfs/dbraw/zinc/40/23/34/183402334.db2.gz VUZATFHNNPDFFK-UHFFFAOYSA-N 0 0 300.406 3.633 50 0 DHAARN C[C@@H](c1cc(F)ccc1F)N(C)Cc1nnsc1Cl ZINC000044975935 183471697 /nfs/dbraw/zinc/47/16/97/183471697.db2.gz HLEHYWHIZDSIGD-ZETCQYMHSA-N 0 0 303.765 3.663 50 0 DHAARN O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccnc1 ZINC000104427811 194007311 /nfs/dbraw/zinc/00/73/11/194007311.db2.gz LXRWDIPUQHGPGF-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000105330910 194098178 /nfs/dbraw/zinc/09/81/78/194098178.db2.gz XXFFNUBOFHXZRJ-AVGNSLFASA-N 0 0 317.458 3.738 50 0 DHAARN CCCOc1ccc(CNC(=O)NC2CCCCC2)cc1OC ZINC000047579370 183595950 /nfs/dbraw/zinc/59/59/50/183595950.db2.gz ZIUHMQYUISYKMG-UHFFFAOYSA-N 0 0 320.433 3.616 50 0 DHAARN CN(CC1CC1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000047904136 183608640 /nfs/dbraw/zinc/60/86/40/183608640.db2.gz SKZZKZXGSZYDEJ-UHFFFAOYSA-N 0 0 317.392 3.779 50 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0 302.424 3.873 50 0 DHAARN CSCc1nnc(SCCOc2cccc(Cl)c2)o1 ZINC000048396369 183655904 /nfs/dbraw/zinc/65/59/04/183655904.db2.gz UETPLCZHCBWWIJ-UHFFFAOYSA-N 0 0 316.835 3.757 50 0 DHAARN C[C@@H](NCc1csc(-c2ncccn2)n1)c1cccc(F)c1 ZINC000048680794 183678151 /nfs/dbraw/zinc/67/81/51/183678151.db2.gz ZDIQAERQPBYCAV-LLVKDONJSA-N 0 0 314.389 3.590 50 0 DHAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)NC1CC1 ZINC000048738162 183683335 /nfs/dbraw/zinc/68/33/35/183683335.db2.gz BWKDLNLSMOPXEA-UHFFFAOYSA-N 0 0 324.384 3.923 50 0 DHAARN C/C=C/C=C/C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000049317069 183725554 /nfs/dbraw/zinc/72/55/54/183725554.db2.gz JPUGJGISKIJNLF-MQQKCMAXSA-N 0 0 303.412 3.760 50 0 DHAARN CC(C)CCC(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000050474385 183787703 /nfs/dbraw/zinc/78/77/03/183787703.db2.gz JAINESIPRZDNFF-UHFFFAOYSA-N 0 0 302.418 3.574 50 0 DHAARN Cc1nn(C(C)C)c(C)c1NC(=O)C(F)(F)c1ccccc1 ZINC000050587885 183789605 /nfs/dbraw/zinc/78/96/05/183789605.db2.gz XILCLEVLEDYWRC-UHFFFAOYSA-N 0 0 307.344 3.811 50 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DHAARN Cc1ccc(NC(=O)C(C)C)cc1NCc1nc(C(C)C)no1 ZINC000055844631 183998300 /nfs/dbraw/zinc/99/83/00/183998300.db2.gz CTSUOGZUCSUGBY-UHFFFAOYSA-N 0 0 316.405 3.708 50 0 DHAARN c1cnn(-c2ccccc2NCc2nc(-c3ccsc3)no2)c1 ZINC000055850993 183998450 /nfs/dbraw/zinc/99/84/50/183998450.db2.gz YSTIFIZVARHAOE-UHFFFAOYSA-N 0 0 323.381 3.596 50 0 DHAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000055863627 183998938 /nfs/dbraw/zinc/99/89/38/183998938.db2.gz PBUYKTNOYBGGSM-GOSISDBHSA-N 0 0 313.372 3.741 50 0 DHAARN Cc1ncc(CN(C)C(=O)C2(c3cc(C)cc(C)c3)CC2)s1 ZINC000055446651 183987306 /nfs/dbraw/zinc/98/73/06/183987306.db2.gz XOYSYZBEBMXTGC-UHFFFAOYSA-N 0 0 314.454 3.759 50 0 DHAARN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000055778688 183997253 /nfs/dbraw/zinc/99/72/53/183997253.db2.gz NTUACRUKZQDMQO-MRXNPFEDSA-N 0 0 318.804 3.851 50 0 DHAARN Cc1nc(NC(=O)N[C@H]2CCc3cc(F)ccc32)sc1C ZINC000056555150 184015619 /nfs/dbraw/zinc/01/56/19/184015619.db2.gz HOIFFLDWIPVNSB-ZDUSSCGKSA-N 0 0 305.378 3.708 50 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3.994 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccccc2)c1C ZINC000057358593 184036553 /nfs/dbraw/zinc/03/65/53/184036553.db2.gz RVPXSGUXELMJHK-CQSZACIVSA-N 0 0 312.413 3.537 50 0 DHAARN Cc1cnc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)s1 ZINC000057412211 184037322 /nfs/dbraw/zinc/03/73/22/184037322.db2.gz VDUKQCJFHFBQLD-UHFFFAOYSA-N 0 0 318.789 3.543 50 0 DHAARN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCc2ccccc21 ZINC000057412414 184037693 /nfs/dbraw/zinc/03/76/93/184037693.db2.gz ZJPFSPWULSHTMC-UHFFFAOYSA-N 0 0 323.783 3.933 50 0 DHAARN CCCCS[C@@H](C)C(=O)Nc1cccc(CN(C)C(C)=O)c1 ZINC000057472072 184039623 /nfs/dbraw/zinc/03/96/23/184039623.db2.gz UHVRMMKFOZSLHO-ZDUSSCGKSA-N 0 0 322.474 3.525 50 0 DHAARN CCc1nc(COc2ccc(NC(=O)C3CC3)cc2)cs1 ZINC000058054057 184071444 /nfs/dbraw/zinc/07/14/44/184071444.db2.gz DIGPMUISBBIMEJ-UHFFFAOYSA-N 0 0 302.399 3.633 50 0 DHAARN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058061127 184072648 /nfs/dbraw/zinc/07/26/48/184072648.db2.gz VGJMUWNJMBXZQJ-XJKSGUPXSA-N 0 0 305.418 3.507 50 0 DHAARN CC(C)c1cc(C(=O)NC[C@H]2CC=CCC2)nn1C(C)(C)C ZINC000058061165 184072726 /nfs/dbraw/zinc/07/27/26/184072726.db2.gz KJWFGWKGFKIJNH-AWEZNQCLSA-N 0 0 303.450 3.848 50 0 DHAARN O=C(CC[S@](=O)Cc1ccc(Cl)cc1)Nc1ccccc1 ZINC000058098103 184074427 /nfs/dbraw/zinc/07/44/27/184074427.db2.gz CPGIYYOIOQLMRA-OAQYLSRUSA-N 0 0 321.829 3.618 50 0 DHAARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC3CCCC3)nc2c1 ZINC000057979381 184064067 /nfs/dbraw/zinc/06/40/67/184064067.db2.gz RDWKSHCJLHZQLI-INIZCTEOSA-N 0 0 312.417 3.660 50 0 DHAARN CC[C@@H](C)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000057994549 184065755 /nfs/dbraw/zinc/06/57/55/184065755.db2.gz QBUIAYSSXYXZNN-LLVKDONJSA-N 0 0 300.406 3.754 50 0 DHAARN CC(C)OC(=O)c1ccc(OCc2nnc(C(C)(C)C)o2)cc1 ZINC000058024663 184069217 /nfs/dbraw/zinc/06/92/17/184069217.db2.gz CWZAUHNPLLNLRD-UHFFFAOYSA-N 0 0 318.373 3.511 50 0 DHAARN CS[C@@H](C)C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000058171652 184084239 /nfs/dbraw/zinc/08/42/39/184084239.db2.gz DRTRJFCPBOIKTI-LBPRGKRZSA-N 0 0 308.447 3.731 50 0 DHAARN C[C@@H](NC(=O)CC1CCCC1)c1nc(-c2ccc(F)cc2)no1 ZINC000058195859 184086515 /nfs/dbraw/zinc/08/65/15/184086515.db2.gz GZOJMJCXDIVKST-LLVKDONJSA-N 0 0 317.364 3.633 50 0 DHAARN Cc1ccc(C[S@@](=O)CCCOc2ccc(F)cc2)cc1 ZINC000058203479 184087599 /nfs/dbraw/zinc/08/75/99/184087599.db2.gz APOKDIQLRPSSJR-OAQYLSRUSA-N 0 0 306.402 3.852 50 0 DHAARN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)o1 ZINC000058133748 184079468 /nfs/dbraw/zinc/07/94/68/184079468.db2.gz HCKAXWOAKPHTDS-RDTXWAMCSA-N 0 0 322.412 3.616 50 0 DHAARN CCN(CC)c1ccc(C(=O)N[C@@H](C)c2ccccc2C)cn1 ZINC000058136514 184079942 /nfs/dbraw/zinc/07/99/42/184079942.db2.gz RXROHHHXKBYMLQ-HNNXBMFYSA-N 0 0 311.429 3.727 50 0 DHAARN CCOc1cccc([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1 ZINC000058265708 184095999 /nfs/dbraw/zinc/09/59/99/184095999.db2.gz OWILSMBWINZPLL-GFCCVEGCSA-N 0 0 316.401 3.996 50 0 DHAARN CCc1nc(C)c(C(=O)Nc2ccnn2C2CCCC2)s1 ZINC000058304528 184102770 /nfs/dbraw/zinc/10/27/70/184102770.db2.gz DRDJRPINCIWWQQ-UHFFFAOYSA-N 0 0 304.419 3.578 50 0 DHAARN O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCCCC1 ZINC000058326504 184105801 /nfs/dbraw/zinc/10/58/01/184105801.db2.gz PSDDHHFONWRMEI-UONOGXRCSA-N 0 0 308.219 3.565 50 0 DHAARN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)C1CCCC1 ZINC000058329919 184106243 /nfs/dbraw/zinc/10/62/43/184106243.db2.gz PSPJROQYLQBICU-UHFFFAOYSA-N 0 0 307.821 3.652 50 0 DHAARN O=C(Nc1ccc2ccccc2n1)c1cc(Br)c[nH]1 ZINC000058401740 184113068 /nfs/dbraw/zinc/11/30/68/184113068.db2.gz ZECXXPKAMXYFJM-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN CC[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(C)C ZINC000058413677 184114795 /nfs/dbraw/zinc/11/47/95/184114795.db2.gz XFZYHRSJOVCTRV-CYBMUJFWSA-N 0 0 311.809 3.666 50 0 DHAARN Cc1noc(C)c1CNC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000058418686 184115214 /nfs/dbraw/zinc/11/52/14/184115214.db2.gz RXBYKEVMEAWMQS-LLVKDONJSA-N 0 0 313.357 3.598 50 0 DHAARN O=C(CCn1ccc2ccccc21)NCc1cc2ccccc2[nH]1 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CCSc1nnc(NC(=O)[C@H](CC)c2ccccc2)s1 ZINC000000368568 563246526 /nfs/dbraw/zinc/24/65/26/563246526.db2.gz PNTZNZGIKWFGLZ-LLVKDONJSA-N 0 0 307.444 3.782 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1C ZINC000000367898 563246528 /nfs/dbraw/zinc/24/65/28/563246528.db2.gz SVULIAJBYRUBOP-UHFFFAOYSA-N 0 0 324.424 3.942 50 0 DHAARN Cc1ccccc1-c1nc2cc(NC(=O)[C@@H]3CCCO3)ccc2o1 ZINC000000367893 563246614 /nfs/dbraw/zinc/24/66/14/563246614.db2.gz ARMWMPULEQIVSV-KRWDZBQOSA-N 0 0 322.364 3.921 50 0 DHAARN O=C(Oc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000000383741 563248309 /nfs/dbraw/zinc/24/83/09/563248309.db2.gz CZNNCZCLRBXLRB-UHFFFAOYSA-N 0 0 311.120 3.941 50 0 DHAARN Clc1cccc(-c2nnc3sc(-c4ccco4)nn32)c1 ZINC000000383163 563248451 /nfs/dbraw/zinc/24/84/51/563248451.db2.gz SVYOYLBSGJATPA-UHFFFAOYSA-N 0 0 302.746 3.766 50 0 DHAARN Cc1ccccc1Cc1nnc2sc(-c3ccccc3)nn12 ZINC000000384958 563248590 /nfs/dbraw/zinc/24/85/90/563248590.db2.gz MYYLFSWZGQYGFF-UHFFFAOYSA-N 0 0 306.394 3.752 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1 ZINC000000385030 563248661 /nfs/dbraw/zinc/24/86/61/563248661.db2.gz HCZAFDOZYCVIKS-UHFFFAOYSA-N 0 0 319.364 3.636 50 0 DHAARN COc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 ZINC000000385088 563248686 /nfs/dbraw/zinc/24/86/86/563248686.db2.gz FOVYHLYDXDKBPU-UHFFFAOYSA-N 0 0 315.131 3.788 50 0 DHAARN Fc1cccc(-c2nnc3sc(Cc4cccs4)nn32)c1 ZINC000000385537 563248698 /nfs/dbraw/zinc/24/86/98/563248698.db2.gz MENMXIZCXHSUQG-UHFFFAOYSA-N 0 0 316.386 3.644 50 0 DHAARN Fc1ccc(-c2nnc3sc(CCc4ccccc4)nn32)cc1 ZINC000000385309 563248748 /nfs/dbraw/zinc/24/87/48/563248748.db2.gz BZWOVUNRDRDCAJ-UHFFFAOYSA-N 0 0 324.384 3.777 50 0 DHAARN O=c1c2ccccc2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000000390086 563249242 /nfs/dbraw/zinc/24/92/42/563249242.db2.gz XYCGAOUOWCNUOV-UHFFFAOYSA-N 0 0 305.164 3.752 50 0 DHAARN C[C@@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1 ZINC000000406509 563251740 /nfs/dbraw/zinc/25/17/40/563251740.db2.gz QTEDIMBXZHKQES-WMLDXEAASA-N 0 0 309.365 3.900 50 0 DHAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1 ZINC000000423662 563252836 /nfs/dbraw/zinc/25/28/36/563252836.db2.gz JTXNEFMRGFIDDO-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN COc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000000423933 563252856 /nfs/dbraw/zinc/25/28/56/563252856.db2.gz DRRUCDHMJYXWIK-MRXNPFEDSA-N 0 0 303.358 3.613 50 0 DHAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4c(=S)[nH]nc4c23)C1 ZINC000000442860 563254436 /nfs/dbraw/zinc/25/44/36/563254436.db2.gz MUUGSJVDJUNHBI-MRVPVSSYSA-N 0 0 318.471 3.779 50 0 DHAARN CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000000442237 563254650 /nfs/dbraw/zinc/25/46/50/563254650.db2.gz ALBQZYAZTFCRIO-LJQANCHMSA-N 0 0 308.425 3.529 50 0 DHAARN Cc1cccc(NC(=S)NC(=O)c2cccc3ccccc32)n1 ZINC000000454796 563257120 /nfs/dbraw/zinc/25/71/20/563257120.db2.gz IFMLMKIXIPDAOL-UHFFFAOYSA-N 0 0 321.405 3.670 50 0 DHAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2O)cc1 ZINC000000456005 563257759 /nfs/dbraw/zinc/25/77/59/563257759.db2.gz RYBNTXXFPUPGCB-UHFFFAOYSA-N 0 0 314.410 3.642 50 0 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COC(=O)c1cn(C(=O)c2ccccc2Cl)c2ccccc12 ZINC000000468164 563260164 /nfs/dbraw/zinc/26/01/64/563260164.db2.gz BOTSZWMOQYWXOX-UHFFFAOYSA-N 0 0 313.740 3.770 50 0 DHAARN Cc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)nc1 ZINC000000475631 563261796 /nfs/dbraw/zinc/26/17/96/563261796.db2.gz IHNCVTBJUMLKMS-WEVVVXLNSA-N 0 0 317.186 3.804 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 ZINC000000476900 563262160 /nfs/dbraw/zinc/26/21/60/563262160.db2.gz CHDWVHYKKRWTAB-UHFFFAOYSA-N 0 0 306.818 3.857 50 0 DHAARN CC[C@@H]1CCc2nc3sc(C(=O)NC(C)C)c(N)c3cc2C1 ZINC000000522833 563264013 /nfs/dbraw/zinc/26/40/13/563264013.db2.gz RUALRPSPXYYOMB-SNVBAGLBSA-N 0 0 317.458 3.532 50 0 DHAARN Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 ZINC000000527142 563264595 /nfs/dbraw/zinc/26/45/95/563264595.db2.gz YHMYFXDQVOSBIQ-UHFFFAOYSA-N 0 0 316.817 3.823 50 0 DHAARN COc1ccc(-c2nn3c(nnc3-c3cccc(C)c3)s2)cc1 ZINC000000525366 563264859 /nfs/dbraw/zinc/26/48/59/563264859.db2.gz CWATUYAMJBBIOJ-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN c1ccc(-c2nnc(OC[C@H]3CCCO3)c3ccccc32)cc1 ZINC000000531658 563265545 /nfs/dbraw/zinc/26/55/45/563265545.db2.gz YQSBXKRJTUXTJL-OAHLLOKOSA-N 0 0 306.365 3.855 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2ccccc2OC(F)F)c1 ZINC000000557789 563266107 /nfs/dbraw/zinc/26/61/07/563266107.db2.gz WVDNIJNOWHTJLX-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN O=C1C[C@@H](c2cccs2)Sc2nc(-c3ccccc3)nn21 ZINC000000551903 563266112 /nfs/dbraw/zinc/26/61/12/563266112.db2.gz QKWRASQTBWFEFF-LBPRGKRZSA-N 0 0 313.407 3.884 50 0 DHAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)C)CCCC2 ZINC000000551901 563266240 /nfs/dbraw/zinc/26/62/40/563266240.db2.gz DLBRFXOTRHFXEN-UHFFFAOYSA-N 0 0 309.431 3.788 50 0 DHAARN O=C1NC(=Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000564524 563266496 /nfs/dbraw/zinc/26/64/96/563266496.db2.gz VMMSALWRRZUAPA-NTEUORMPSA-N 0 0 316.719 3.576 50 0 DHAARN C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccncc1 ZINC000000609514 563268139 /nfs/dbraw/zinc/26/81/39/563268139.db2.gz PGOPCZHAYZARHA-JTQLQIEISA-N 0 0 309.291 3.983 50 0 DHAARN 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CCNC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccc(C)o1 ZINC000001016868 563274511 /nfs/dbraw/zinc/27/45/11/563274511.db2.gz PDLGWEMTTNFEIV-HNNXBMFYSA-N 0 0 313.426 3.634 50 0 DHAARN C1CCC(Nc2nc3nonc3nc2NC2CCCCC2)CC1 ZINC000001028372 563274966 /nfs/dbraw/zinc/27/49/66/563274966.db2.gz HAAIAOJOWJOCAA-UHFFFAOYSA-N 0 0 316.409 3.502 50 0 DHAARN Cc1cc(C)c(-n2nnnc2SCc2ccccc2)c(C)c1 ZINC000001050715 563275642 /nfs/dbraw/zinc/27/56/42/563275642.db2.gz CFVZYBPHRLKZCJ-UHFFFAOYSA-N 0 0 310.426 3.880 50 0 DHAARN C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CCCO1 ZINC000001055017 563275783 /nfs/dbraw/zinc/27/57/83/563275783.db2.gz QLJCHCVBPNEBCI-XJKSGUPXSA-N 0 0 323.392 3.608 50 0 DHAARN Cc1cc(C)cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000001053707 563275953 /nfs/dbraw/zinc/27/59/53/563275953.db2.gz UMWDLNNLPZUEAO-UHFFFAOYSA-N 0 0 322.452 3.883 50 0 DHAARN O=C(NCc1ccco1)c1ccccc1CCc1ccccc1 ZINC000001064885 563276332 /nfs/dbraw/zinc/27/63/32/563276332.db2.gz QFHKQTMQSHWNDI-UHFFFAOYSA-N 0 0 305.377 3.995 50 0 DHAARN CCc1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001056110 563276426 /nfs/dbraw/zinc/27/64/26/563276426.db2.gz IASHGBRUDNIKOF-UHFFFAOYSA-N 0 0 316.213 3.589 50 0 DHAARN CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C)c1 ZINC000001085173 563277057 /nfs/dbraw/zinc/27/70/57/563277057.db2.gz LZBGPTPSIUIREA-XIRDDKMYSA-N 0 0 315.413 3.858 50 0 DHAARN COC(=O)[C@@H](OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000001386241 563281489 /nfs/dbraw/zinc/28/14/89/563281489.db2.gz SZMROFKGANKWSQ-HNNXBMFYSA-N 0 0 308.418 3.848 50 0 DHAARN COc1ccc(NC(=O)OC/C=C/c2ccccc2)c(OC)c1 ZINC000001753605 563294987 /nfs/dbraw/zinc/29/49/87/563294987.db2.gz FCOARIQBGOQWDA-RMKNXTFCSA-N 0 0 313.353 3.966 50 0 DHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001803040 563296493 /nfs/dbraw/zinc/29/64/93/563296493.db2.gz KUAVUPXXYWPMJI-UHFFFAOYSA-N 0 0 322.257 3.947 50 0 DHAARN CCc1ccc(OCCCCn2c(CO)nc3ccccc32)cc1 ZINC000001926896 563296979 /nfs/dbraw/zinc/29/69/79/563296979.db2.gz HILCMEXXASPQPX-UHFFFAOYSA-N 0 0 324.424 3.950 50 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Fc1ccccc1CSc1nnc2c3ccccc3[nH]c2n1 ZINC000002503753 563304453 /nfs/dbraw/zinc/30/44/53/563304453.db2.gz QNUGNKKDQJAHSA-UHFFFAOYSA-N 0 0 310.357 3.938 50 0 DHAARN CCOc1ccc(COc2ccc(C=O)cc2)cc1OCC ZINC000002534266 563308569 /nfs/dbraw/zinc/30/85/69/563308569.db2.gz VQCFZVURTABUFO-UHFFFAOYSA-N 0 0 300.354 3.876 50 0 DHAARN Clc1ccc(I)c(Br)c1 ZINC000002567822 563309918 /nfs/dbraw/zinc/30/99/18/563309918.db2.gz CXHXFDQEFKFYQJ-UHFFFAOYSA-N 0 0 317.351 3.707 50 0 DHAARN COc1ccc(C(=O)NCC2(C)C3CC4CC(C3)CC2C4)cc1 ZINC000002668670 563310959 /nfs/dbraw/zinc/31/09/59/563310959.db2.gz NEWHACLFPSFQRT-UHFFFAOYSA-N 0 0 313.441 3.887 50 0 DHAARN CCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000002721407 563311734 /nfs/dbraw/zinc/31/17/34/563311734.db2.gz SEBZFAXDAORWDG-UHFFFAOYSA-N 0 0 301.434 3.541 50 0 DHAARN CCCCCCOC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000002756145 563312715 /nfs/dbraw/zinc/31/27/15/563312715.db2.gz FNFNAFVTSMUYES-UHFFFAOYSA-N 0 0 317.307 3.925 50 0 DHAARN CC1CCN(C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000002806984 563313779 /nfs/dbraw/zinc/31/37/79/563313779.db2.gz VOPIIKICFRRJMP-CYBMUJFWSA-N 0 0 304.434 3.698 50 0 DHAARN CCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1 ZINC000002851016 563314989 /nfs/dbraw/zinc/31/49/89/563314989.db2.gz GBEZFUPTZCGPEJ-UHFFFAOYSA-N 0 0 304.434 3.664 50 0 DHAARN CCc1ccc(N[C@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002870278 563315497 /nfs/dbraw/zinc/31/54/97/563315497.db2.gz HBTDXLKHIWBISZ-SFHVURJKSA-N 0 0 322.408 3.555 50 0 DHAARN CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 ZINC000002869591 563315590 /nfs/dbraw/zinc/31/55/90/563315590.db2.gz LKXBQKNOOWEDNS-UHFFFAOYSA-N 0 0 313.382 3.533 50 0 DHAARN CCC[C@@H](C)c1nnc(NC(=O)Cc2ccc(OC)cc2)s1 ZINC000002865388 563315722 /nfs/dbraw/zinc/31/57/22/563315722.db2.gz DSLAUFMJEVMVLB-LLVKDONJSA-N 0 0 319.430 3.632 50 0 DHAARN CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000002881336 563316842 /nfs/dbraw/zinc/31/68/42/563316842.db2.gz GRTNDLNIZNTIRP-UHFFFAOYSA-N 0 0 303.745 3.826 50 0 DHAARN CCCCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002882839 563316897 /nfs/dbraw/zinc/31/68/97/563316897.db2.gz BQNLBQYLFWXGRM-UHFFFAOYSA-N 0 0 323.389 3.805 50 0 DHAARN CCCCOc1ccc(C(=O)NCc2ccccc2OC)cc1 ZINC000002881500 563316990 /nfs/dbraw/zinc/31/69/90/563316990.db2.gz PWNZTOZFHPZPFY-UHFFFAOYSA-N 0 0 313.397 3.804 50 0 DHAARN CCCNC(=O)c1csc(-c2ccccc2OCC(C)C)n1 ZINC000034714525 563318318 /nfs/dbraw/zinc/31/83/18/563318318.db2.gz SWKOSQSOQKLETN-UHFFFAOYSA-N 0 0 318.442 3.985 50 0 DHAARN COc1cc(C=O)ccc1OCCOc1cc(C)ccc1C ZINC000002985512 563319264 /nfs/dbraw/zinc/31/92/64/563319264.db2.gz ROVZAMQRAIKQKJ-UHFFFAOYSA-N 0 0 300.354 3.582 50 0 DHAARN CCc1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000002987834 563319969 /nfs/dbraw/zinc/31/99/69/563319969.db2.gz COZCLVFLNWDJRA-UHFFFAOYSA-N 0 0 313.441 3.569 50 0 DHAARN Cc1ccc(OCCNC(=O)Cc2cccc3ccccc32)cc1 ZINC000003131947 563322183 /nfs/dbraw/zinc/32/21/83/563322183.db2.gz LMJBXKNEANFQED-UHFFFAOYSA-N 0 0 319.404 3.886 50 0 DHAARN Cc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000034791952 563323559 /nfs/dbraw/zinc/32/35/59/563323559.db2.gz MEZLNXFOVXBLFC-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN CC(C)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 ZINC000034910411 563324683 /nfs/dbraw/zinc/32/46/83/563324683.db2.gz MSRYULZNNZNNAN-UHFFFAOYSA-N 0 0 306.369 3.643 50 0 DHAARN Cc1cc(C)c(-c2cc(C(=O)NCc3ccco3)nn2C)c(C)c1 ZINC000034901516 563324987 /nfs/dbraw/zinc/32/49/87/563324987.db2.gz KBIHDGGCLQBZLF-UHFFFAOYSA-N 0 0 323.396 3.535 50 0 DHAARN CCn1nc(C(=O)Nc2ccccc2)cc1-c1cccc(OC)c1 ZINC000034901353 563325375 /nfs/dbraw/zinc/32/53/75/563325375.db2.gz YMGYYENPRHNTOD-UHFFFAOYSA-N 0 0 321.380 3.831 50 0 DHAARN Cc1csc(NC(=O)Cc2csc(-c3cccs3)n2)n1 ZINC000010554963 563326407 /nfs/dbraw/zinc/32/64/07/563326407.db2.gz KOFJDEJXKMJKPT-UHFFFAOYSA-N 0 0 321.452 3.818 50 0 DHAARN CCC(=O)Oc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004841458 563328415 /nfs/dbraw/zinc/32/84/15/563328415.db2.gz LEDWMXVRWBLZAZ-UHFFFAOYSA-N 0 0 309.365 3.595 50 0 DHAARN C[C@H](CC[C@@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000071910546 563332982 /nfs/dbraw/zinc/33/29/82/563332982.db2.gz OUAATNTVCPGAJT-XLZHNJQLSA-N 0 0 324.424 3.712 50 0 DHAARN C[C@H](Sc1cccs1)C(=O)N1CCc2sccc2C1 ZINC000071910000 563333053 /nfs/dbraw/zinc/33/30/53/563333053.db2.gz FAHZWWQQPSJAJP-JTQLQIEISA-N 0 0 309.481 3.875 50 0 DHAARN O=C(Cc1cccc2ccccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002446863 563333353 /nfs/dbraw/zinc/33/33/53/563333353.db2.gz SZQPESSSZJFZNG-WIYYLYMNSA-N 0 0 323.436 3.536 50 0 DHAARN Cc1cccnc1[C@H](NC(=O)N[C@H](C)c1nccs1)C(C)C ZINC000071909202 563333420 /nfs/dbraw/zinc/33/34/20/563333420.db2.gz LEOLYXGGTQYLNM-CHWSQXEVSA-N 0 0 318.446 3.604 50 0 DHAARN Cc1cc(C)c(C(=O)Nc2nnc(-c3ccncc3)s2)c(C)c1 ZINC000006727073 563333695 /nfs/dbraw/zinc/33/36/95/563333695.db2.gz XWGDBPFQVRONHG-UHFFFAOYSA-N 0 0 324.409 3.778 50 0 DHAARN C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000006726916 563333970 /nfs/dbraw/zinc/33/39/70/563333970.db2.gz CRZIGQCEMAYOOD-QWRGUYRKSA-N 0 0 311.223 3.959 50 0 DHAARN CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(C)=O)ccc12 ZINC000002208668 563335973 /nfs/dbraw/zinc/33/59/73/563335973.db2.gz SDLPWPGZLRZVJR-CYBMUJFWSA-N 0 0 302.370 3.800 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccccc1Cl ZINC000002639439 563336588 /nfs/dbraw/zinc/33/65/88/563336588.db2.gz UVUKPXZDDUJVEL-CQSZACIVSA-N 0 0 317.816 3.856 50 0 DHAARN O=C(CSc1ncccn1)Nc1ccc(Cl)c(Cl)c1 ZINC000002623252 563336660 /nfs/dbraw/zinc/33/66/60/563336660.db2.gz WSVZLBLILHETAG-UHFFFAOYSA-N 0 0 314.197 3.514 50 0 DHAARN Clc1ccc(Cl)c(-c2ccc(CNn3cnnc3)o2)c1 ZINC000007602162 563339559 /nfs/dbraw/zinc/33/95/59/563339559.db2.gz ILUADUAAAWWCMK-UHFFFAOYSA-N 0 0 309.156 3.589 50 0 DHAARN O=C(Cc1ccccc1)NCCSc1c[nH]c2ccccc12 ZINC000002720988 563339612 /nfs/dbraw/zinc/33/96/12/563339612.db2.gz MHGOOIRAZIEGFV-UHFFFAOYSA-N 0 0 310.422 3.619 50 0 DHAARN CC(=O)c1cccc(NC(=O)C[C@H](C)n2nc(C)c(C)c2C)c1 ZINC000007636112 563340105 /nfs/dbraw/zinc/34/01/05/563340105.db2.gz MZFJWRDKUQRLIN-NSHDSACASA-N 0 0 313.401 3.601 50 0 DHAARN CCCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000002762566 563340879 /nfs/dbraw/zinc/34/08/79/563340879.db2.gz KMOLEANVHMYZLO-UHFFFAOYSA-N 0 0 307.371 3.777 50 0 DHAARN CCn1ncc(CN(C)C(=O)Nc2ccc(Cl)cc2)c1C ZINC000002768055 563341934 /nfs/dbraw/zinc/34/19/34/563341934.db2.gz JNIKOOGRVFBMHV-UHFFFAOYSA-N 0 0 306.797 3.529 50 0 DHAARN Cc1ccc(F)cc1NC(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000071921849 563345807 /nfs/dbraw/zinc/34/58/07/563345807.db2.gz OOTNGGYFWROZCW-AWEZNQCLSA-N 0 0 316.376 3.549 50 0 DHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000008382812 563346648 /nfs/dbraw/zinc/34/66/48/563346648.db2.gz FKJFGXYWMKEKJF-NWDGAFQWSA-N 0 0 319.788 3.799 50 0 DHAARN Fc1ccc(NC(=S)NCCc2ccccc2)c(F)c1F ZINC000008666836 563348772 /nfs/dbraw/zinc/34/87/72/563348772.db2.gz MLMSWRFVLJZNRV-UHFFFAOYSA-N 0 0 310.344 3.633 50 0 DHAARN COc1cccc([C@@H]2NC(=S)N=C3c4ccccc4CCC32)c1 ZINC000008687396 563349072 /nfs/dbraw/zinc/34/90/72/563349072.db2.gz RORQBSIANNPTQQ-KRWDZBQOSA-N 0 0 322.433 3.983 50 0 aggregator DHAARN COCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008723163 563349789 /nfs/dbraw/zinc/34/97/89/563349789.db2.gz YVGJQKTWFIDEHV-UHFFFAOYSA-N 0 0 305.761 3.618 50 0 DHAARN CCOc1ccccc1C(=O)Oc1cccc(NC(=O)CC)c1 ZINC000008723027 563349972 /nfs/dbraw/zinc/34/99/72/563349972.db2.gz VIIWFZRDCVGJRE-UHFFFAOYSA-N 0 0 313.353 3.653 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2F)s1)c1ccc(F)cc1 ZINC000008743377 563350173 /nfs/dbraw/zinc/35/01/73/563350173.db2.gz WEJPOJYQQMASSL-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN COc1ccc(NC(=S)NC2CCCCCC2)c(OC)c1 ZINC000008830283 563350809 /nfs/dbraw/zinc/35/08/09/563350809.db2.gz JTWHJKXXRYHBMC-UHFFFAOYSA-N 0 0 308.447 3.713 50 0 DHAARN CCOc1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000008844087 563350859 /nfs/dbraw/zinc/35/08/59/563350859.db2.gz VIGOVCANCQHKHR-UHFFFAOYSA-N 0 0 307.353 3.579 50 0 DHAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C)on1 ZINC000008908383 563351255 /nfs/dbraw/zinc/35/12/55/563351255.db2.gz QXMYZQLNHDRRNA-UHFFFAOYSA-N 0 0 301.129 3.551 50 0 DHAARN Cc1cnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 ZINC000008908337 563351590 /nfs/dbraw/zinc/35/15/90/563351590.db2.gz DQLBVHAHZKZXLH-UHFFFAOYSA-N 0 0 310.806 3.739 50 0 DHAARN O=C1COc2ccc(Cl)cc2N1Cc1ccccc1Cl ZINC000009226128 563353171 /nfs/dbraw/zinc/35/31/71/563353171.db2.gz CFTBQLYQKJQGIU-UHFFFAOYSA-N 0 0 308.164 3.919 50 0 DHAARN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000009694994 563353580 /nfs/dbraw/zinc/35/35/80/563353580.db2.gz QSJZNYXIPARXAJ-UHFFFAOYSA-N 0 0 317.744 3.560 50 0 DHAARN CCC(CC)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 ZINC000009419814 563353608 /nfs/dbraw/zinc/35/36/08/563353608.db2.gz FTLIIDKRAZGZFS-UHFFFAOYSA-N 0 0 313.401 3.990 50 0 DHAARN Cc1c(C)n(Cc2ccncc2)c2ncnc(NCC(C)C)c12 ZINC000009422917 563353612 /nfs/dbraw/zinc/35/36/12/563353612.db2.gz LWXJLRWXFSXJKL-UHFFFAOYSA-N 0 0 309.417 3.559 50 0 DHAARN Cc1ccc(NC(=O)c2sc3ncccc3c2N)cc1F ZINC000010010939 563355439 /nfs/dbraw/zinc/35/54/39/563355439.db2.gz HIMDIZAOGMJVEH-UHFFFAOYSA-N 0 0 301.346 3.578 50 0 DHAARN O=C(Nc1ccccc1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000010296725 563355893 /nfs/dbraw/zinc/35/58/93/563355893.db2.gz NAWOENWFVFBKGS-QGZVFWFLSA-N 0 0 312.369 3.888 50 0 DHAARN c1ccc(CCc2nnc3sc(Cc4ccccc4)nn23)cc1 ZINC000010311891 563355906 /nfs/dbraw/zinc/35/59/06/563355906.db2.gz LPKWCGTVFANIEZ-UHFFFAOYSA-N 0 0 320.421 3.562 50 0 DHAARN Cc1cccc(-c2nn3c(CCc4ccccc4)nnc3s2)c1 ZINC000010311858 563356103 /nfs/dbraw/zinc/35/61/03/563356103.db2.gz XNIWGNYUZNUZCS-UHFFFAOYSA-N 0 0 320.421 3.946 50 0 DHAARN O=C(NCCSCc1ccccc1F)Nc1ccccc1 ZINC000010280136 563356269 /nfs/dbraw/zinc/35/62/69/563356269.db2.gz HHVGELMSXBDPEN-UHFFFAOYSA-N 0 0 304.390 3.881 50 0 DHAARN O=S(=O)(Cc1ccccc1F)NCCC1CCCCCC1 ZINC000010543538 563357643 /nfs/dbraw/zinc/35/76/43/563357643.db2.gz UKSSBDGPECILQC-UHFFFAOYSA-N 0 0 313.438 3.606 50 0 DHAARN CCCOc1ccc2cc(S(=O)(=O)NC(C)(C)C)ccc2c1 ZINC000011614017 563358134 /nfs/dbraw/zinc/35/81/34/563358134.db2.gz DCCCRJKXSHWRII-UHFFFAOYSA-N 0 0 321.442 3.705 50 0 DHAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000011879490 563360134 /nfs/dbraw/zinc/36/01/34/563360134.db2.gz XOAHGMLCAOWPIH-QGZVFWFLSA-N 0 0 315.457 3.593 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000012138452 563362265 /nfs/dbraw/zinc/36/22/65/563362265.db2.gz AKMXIGMOMBQZTG-ZDUSSCGKSA-N 0 0 302.418 3.734 50 0 DHAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000012138451 563362472 /nfs/dbraw/zinc/36/24/72/563362472.db2.gz AKMXIGMOMBQZTG-CYBMUJFWSA-N 0 0 302.418 3.734 50 0 DHAARN O=C(CCC(=O)OCCCc1ccccc1)Nc1ccccc1 ZINC000012136953 563362645 /nfs/dbraw/zinc/36/26/45/563362645.db2.gz LFAFTUIBOVJVMU-UHFFFAOYSA-N 0 0 311.381 3.581 50 0 DHAARN COc1cccc2onc(NC(=O)c3cccc(Cl)c3)c21 ZINC000012340925 563366339 /nfs/dbraw/zinc/36/63/39/563366339.db2.gz NDVVVYGUKIXJGN-UHFFFAOYSA-N 0 0 302.717 3.742 50 0 DHAARN Brc1ccnc(-c2ccc(Br)nc2)c1 ZINC000012359459 563367020 /nfs/dbraw/zinc/36/70/20/563367020.db2.gz CANAGWONSFPODO-UHFFFAOYSA-N 0 0 313.980 3.669 50 0 DHAARN O=c1ccn(Cc2cccs2)c2ccnc(C(F)(F)F)c12 ZINC000012374988 563367075 /nfs/dbraw/zinc/36/70/75/563367075.db2.gz PYZHODLYKOHGMB-UHFFFAOYSA-N 0 0 310.300 3.525 50 0 DHAARN CC(C)(C)c1cc(NC(=O)Cc2c(F)cccc2Cl)no1 ZINC000012381591 563367569 /nfs/dbraw/zinc/36/75/69/563367569.db2.gz AAVUPBKFSGQJKV-UHFFFAOYSA-N 0 0 310.756 3.946 50 0 DHAARN CC(C)C(NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000012382018 563367850 /nfs/dbraw/zinc/36/78/50/563367850.db2.gz DUXYIOFCVXJRNU-UHFFFAOYSA-N 0 0 316.489 3.695 50 0 DHAARN O=C(Nc1cccc(C2OCCCO2)c1)C1(c2ccccc2)CC1 ZINC000012376037 563367873 /nfs/dbraw/zinc/36/78/73/563367873.db2.gz OBGCGYVUZRKCOW-UHFFFAOYSA-N 0 0 323.392 3.792 50 0 DHAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 ZINC000012383834 563368103 /nfs/dbraw/zinc/36/81/03/563368103.db2.gz QMWJTCQILMFCCB-CHWSQXEVSA-N 0 0 303.789 3.985 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CCCO1 ZINC000012383325 563368457 /nfs/dbraw/zinc/36/84/57/563368457.db2.gz NPQLCAVGRVTOCS-OCCSQVGLSA-N 0 0 307.459 3.704 50 0 DHAARN Clc1cccc(Oc2ccc(-n3cnnn3)cc2Cl)c1 ZINC000012428744 563368922 /nfs/dbraw/zinc/36/89/22/563368922.db2.gz NPSCIXNHXXOPMX-UHFFFAOYSA-N 0 0 307.140 3.761 50 0 DHAARN Cc1nn(CCC(=O)Nc2cc(Cl)ccc2C)c(C)c1C ZINC000012420387 563369009 /nfs/dbraw/zinc/36/90/09/563369009.db2.gz WCBFEQHPDRYBCV-UHFFFAOYSA-N 0 0 305.809 3.799 50 0 DHAARN Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)[nH]n2)c1 ZINC000012475496 563370889 /nfs/dbraw/zinc/37/08/89/563370889.db2.gz SWXHIDUAHXSCLQ-UHFFFAOYSA-N 0 0 321.380 3.960 50 0 DHAARN O=C(NCc1ccncc1)c1cc2c(s1)CCCCCC2 ZINC000012608249 563371284 /nfs/dbraw/zinc/37/12/84/563371284.db2.gz OTDLUNAODVIPMI-UHFFFAOYSA-N 0 0 300.427 3.732 50 0 DHAARN COc1ccc(NC(=O)Nc2cc(C)nn2C2CCCC2)cc1 ZINC000032609639 563371313 /nfs/dbraw/zinc/37/13/13/563371313.db2.gz VWLDHFQDKBTYLQ-UHFFFAOYSA-N 0 0 314.389 3.959 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2cccc3ncccc32)c1 ZINC000012687371 563372348 /nfs/dbraw/zinc/37/23/48/563372348.db2.gz OXZCGRFKZDJHHX-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623252 563373020 /nfs/dbraw/zinc/37/30/20/563373020.db2.gz ZUFNBMIUSQXZHE-UHFFFAOYSA-N 0 0 311.316 3.891 50 0 DHAARN CCc1ccccc1NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000012754178 563373106 /nfs/dbraw/zinc/37/31/06/563373106.db2.gz MWYWNUJBCRWIFZ-UHFFFAOYSA-N 0 0 322.408 3.624 50 0 DHAARN Cc1cc(C)cc(CSc2nc3ccccc3c(=O)n2C)c1 ZINC000012766220 563373519 /nfs/dbraw/zinc/37/35/19/563373519.db2.gz NMPFIUFXFYVVIV-UHFFFAOYSA-N 0 0 310.422 3.843 50 0 DHAARN Cc1ccccc1OCCN(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000012790904 563373745 /nfs/dbraw/zinc/37/37/45/563373745.db2.gz PAYRGPZQBXTLPV-HOCLYGCPSA-N 0 0 304.434 3.594 50 0 DHAARN Cc1cc(=O)oc2c(O)c3c(cc12)CCC1(CCCCC1)O3 ZINC000012896107 563374813 /nfs/dbraw/zinc/37/48/13/563374813.db2.gz NLCPWZUIGBMEMB-UHFFFAOYSA-N 0 0 300.354 3.835 50 0 biogenic DHAARN Cc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c(C)c1 ZINC000012864977 563374851 /nfs/dbraw/zinc/37/48/51/563374851.db2.gz NYUMPEIGLGFCGH-UHFFFAOYSA-N 0 0 316.445 3.527 50 0 DHAARN C[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000012868428 563374877 /nfs/dbraw/zinc/37/48/77/563374877.db2.gz MLEAYDOYMFPMNW-GFCCVEGCSA-N 0 0 316.788 3.822 50 0 DHAARN Cc1cc(C)cc(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 ZINC000032656088 563375240 /nfs/dbraw/zinc/37/52/40/563375240.db2.gz PWTJUGBGSIUEHK-UHFFFAOYSA-N 0 0 315.417 3.945 50 0 DHAARN Cc1cnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 ZINC000012975068 563376106 /nfs/dbraw/zinc/37/61/06/563376106.db2.gz VHTKGOSJUWNXEG-UHFFFAOYSA-N 0 0 319.364 3.616 50 0 DHAARN CCOc1cc2c(cc1NC(=O)c1ccccc1F)O[C@H](C)C2 ZINC000012982273 563376231 /nfs/dbraw/zinc/37/62/31/563376231.db2.gz NMEPNTSPFBLNNH-LLVKDONJSA-N 0 0 315.344 3.800 50 0 DHAARN CCCCCc1ccc(NC(=O)Cn2c(C)csc2=O)cc1 ZINC000012993263 563376521 /nfs/dbraw/zinc/37/65/21/563376521.db2.gz PANZMIVHMWBJJQ-UHFFFAOYSA-N 0 0 318.442 3.590 50 0 DHAARN COc1ccc2c(CC(=O)N[C@@H](C)CCC(C)C)coc2c1 ZINC000013140822 563379447 /nfs/dbraw/zinc/37/94/47/563379447.db2.gz ZBHUBJKZVLUEKZ-ZDUSSCGKSA-N 0 0 303.402 3.925 50 0 DHAARN C[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)c1cccs1 ZINC000032699208 563379720 /nfs/dbraw/zinc/37/97/20/563379720.db2.gz XLNFDDJHCUMECS-LLVKDONJSA-N 0 0 321.446 3.629 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1ccc(C)cc1Br ZINC000013325690 563380721 /nfs/dbraw/zinc/38/07/21/563380721.db2.gz IKOAMCKJWZINFI-UHFFFAOYSA-N 0 0 323.190 3.869 50 0 DHAARN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)CCc2ccco2)cc1 ZINC000032716961 563381811 /nfs/dbraw/zinc/38/18/11/563381811.db2.gz XQOJOVQIJCLRKK-HNNXBMFYSA-N 0 0 313.397 3.688 50 0 DHAARN CN1N=C2c3ccccc3CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000013468810 563382168 /nfs/dbraw/zinc/38/21/68/563382168.db2.gz XQJMQZZYRCGLLR-JXFKEZNVSA-N 0 0 320.392 3.759 50 0 DHAARN COc1ccc(NC(=S)Nc2ccccc2OC)c(OC)c1 ZINC000013497631 563382900 /nfs/dbraw/zinc/38/29/00/563382900.db2.gz UULKCIDSOSXWGA-UHFFFAOYSA-N 0 0 318.398 3.521 50 0 DHAARN CCCCc1nnc(NC(=O)Nc2cccc(OC)c2)s1 ZINC000013550863 563383304 /nfs/dbraw/zinc/38/33/04/563383304.db2.gz TXCBYSPSRMFDIF-UHFFFAOYSA-N 0 0 306.391 3.533 50 0 DHAARN Cc1ccc(C)n1-c1nc2cc(C(=O)NC3CC3)ccc2s1 ZINC000013656115 563384542 /nfs/dbraw/zinc/38/45/42/563384542.db2.gz QMQGNGKJLHZRRX-UHFFFAOYSA-N 0 0 311.410 3.596 50 0 DHAARN CCOC(=O)c1sc(NC(=O)c2csc(CC)c2)nc1C ZINC000013745806 563388617 /nfs/dbraw/zinc/38/86/17/563388617.db2.gz VEZOIXSLZRUGQT-UHFFFAOYSA-N 0 0 324.427 3.504 50 0 DHAARN Cc1ccsc1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000032739422 563388728 /nfs/dbraw/zinc/38/87/28/563388728.db2.gz CKRUKEWKSIHMIK-UHFFFAOYSA-N 0 0 311.353 3.630 50 0 DHAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccncc1Cl ZINC000032731833 563388882 /nfs/dbraw/zinc/38/88/82/563388882.db2.gz HCNRDCKZRHBVHF-UHFFFAOYSA-N 0 0 314.694 3.935 50 0 DHAARN C[C@H](NC(=O)CCc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000032738021 563389567 /nfs/dbraw/zinc/38/95/67/563389567.db2.gz JCCFKAUTVHSNNX-UYIIGHAYSA-N 0 0 312.457 3.735 50 0 DHAARN CCc1sc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1C ZINC000032738341 563389704 /nfs/dbraw/zinc/38/97/04/563389704.db2.gz BHQIMGGTVJHDPT-LLVKDONJSA-N 0 0 313.426 3.986 50 0 DHAARN Cc1ccc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc32)cc1 ZINC000032754835 563390732 /nfs/dbraw/zinc/39/07/32/563390732.db2.gz LUMGYUYHIXCOTB-QGZVFWFLSA-N 0 0 305.381 3.849 50 0 DHAARN C[C@H](OC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000032766809 563391705 /nfs/dbraw/zinc/39/17/05/563391705.db2.gz IEMRJBTZZLPCJB-JTQLQIEISA-N 0 0 306.159 3.762 50 0 DHAARN COc1ccc(NC(=S)NCCc2ccccc2)c(C)c1 ZINC000013935764 563392680 /nfs/dbraw/zinc/39/26/80/563392680.db2.gz NXDBRDSORYMRGM-UHFFFAOYSA-N 0 0 300.427 3.533 50 0 DHAARN COc1ccc(NC(=O)CSC[C@@H]2CC2(Cl)Cl)cc1 ZINC000032772154 563392788 /nfs/dbraw/zinc/39/27/88/563392788.db2.gz VBYHXYICZSUAQN-VIFPVBQESA-N 0 0 320.241 3.561 50 0 DHAARN Cc1cc(CNC(=O)N[C@@H](C)CCc2ccco2)ccc1F ZINC000032779695 563393242 /nfs/dbraw/zinc/39/32/42/563393242.db2.gz HADOPGWKAZLEHZ-ZDUSSCGKSA-N 0 0 304.365 3.548 50 0 DHAARN Cc1cccc(C(C)C)c1NC(=O)c1cnn(-c2ccccc2)n1 ZINC000014094696 563395499 /nfs/dbraw/zinc/39/54/99/563395499.db2.gz FLUFINILLNIQTD-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN CN(CCOc1ccc(Cl)cc1)c1ncnc2ccsc21 ZINC000014084782 563395693 /nfs/dbraw/zinc/39/56/93/563395693.db2.gz QHICHQHERINMJJ-UHFFFAOYSA-N 0 0 319.817 3.860 50 0 DHAARN CC(C)c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)[nH]1 ZINC000014117684 563396116 /nfs/dbraw/zinc/39/61/16/563396116.db2.gz NGDKNILGGSPTLN-QMMMGPOBSA-N 0 0 321.431 3.893 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)c2cccc3cccnc32)c1 ZINC000014169265 563396936 /nfs/dbraw/zinc/39/69/36/563396936.db2.gz FUWOYSHQYZTUNW-UHFFFAOYSA-N 0 0 320.348 3.582 50 0 DHAARN CC(=O)NCc1ccc(-c2csc(NC3CCCCC3)n2)o1 ZINC000014180752 563397117 /nfs/dbraw/zinc/39/71/17/563397117.db2.gz DLFSVSAYJXLFGX-UHFFFAOYSA-N 0 0 319.430 3.784 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000014170335 563397158 /nfs/dbraw/zinc/39/71/58/563397158.db2.gz SYNPNKOIWCWRCR-AWEZNQCLSA-N 0 0 310.397 3.753 50 0 DHAARN CC(C)c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)[nH]1 ZINC000014162007 563397164 /nfs/dbraw/zinc/39/71/64/563397164.db2.gz ZEVZSPLWOPXMPY-JTQLQIEISA-N 0 0 314.414 3.773 50 0 DHAARN C[C@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 ZINC000032817852 563398332 /nfs/dbraw/zinc/39/83/32/563398332.db2.gz SADVHINUYLUVNW-QGZVFWFLSA-N 0 0 318.420 3.940 50 0 DHAARN CC(C)n1cnn(CN2CCc3sccc3[C@H]2C)c1=S ZINC000014215016 563398511 /nfs/dbraw/zinc/39/85/11/563398511.db2.gz JIELMZQLQIIPKO-LLVKDONJSA-N 0 0 308.476 3.633 50 0 DHAARN C[C@]1(C(=O)N2CCCc3cc(F)c(F)cc32)CC1(Cl)Cl ZINC000032816814 563398574 /nfs/dbraw/zinc/39/85/74/563398574.db2.gz UGIFWQFINSKWQF-CYBMUJFWSA-N 0 0 320.166 3.828 50 0 DHAARN C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 ZINC000032825797 563399784 /nfs/dbraw/zinc/39/97/84/563399784.db2.gz RNUCBTKBMKEQJV-MRVPVSSYSA-N 0 0 319.810 3.580 50 0 DHAARN Cc1ccc2cccc(OCC(=O)Nc3ccccc3C)c2n1 ZINC000014358688 563400141 /nfs/dbraw/zinc/40/01/41/563400141.db2.gz YNZOTRSXTLWSRL-UHFFFAOYSA-N 0 0 306.365 3.869 50 0 DHAARN COc1ccccc1CNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014396146 563400407 /nfs/dbraw/zinc/40/04/07/563400407.db2.gz YJLYISFTCTYYTD-UHFFFAOYSA-N 0 0 324.424 3.616 50 0 DHAARN O=C(Nc1ccccc1OC(F)(F)F)[C@H]1Cc2ccccc2O1 ZINC000032837426 563400871 /nfs/dbraw/zinc/40/08/71/563400871.db2.gz VJTBWUFWSSKPFP-CQSZACIVSA-N 0 0 323.270 3.527 50 0 DHAARN Cc1ccc2nc(C)c(C(=O)NCCCOCC(C)C)cc2c1 ZINC000032854582 563402812 /nfs/dbraw/zinc/40/28/12/563402812.db2.gz QFJUEXSSMQYLCB-UHFFFAOYSA-N 0 0 314.429 3.644 50 0 DHAARN CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)c1cccs1 ZINC000032862342 563403448 /nfs/dbraw/zinc/40/34/48/563403448.db2.gz YGRZDDKGEYBLRY-OAHLLOKOSA-N 0 0 318.398 3.996 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC2)c1cnn(Cc2ccccc2)c1 ZINC000014887746 563403717 /nfs/dbraw/zinc/40/37/17/563403717.db2.gz HHYLRJQMGMKTHE-UHFFFAOYSA-N 0 0 317.392 3.672 50 0 DHAARN Cc1cc(C)c(NC(=O)CSc2nnc(C(C)C)o2)c(C)c1 ZINC000032863517 563403896 /nfs/dbraw/zinc/40/38/96/563403896.db2.gz GXXRRTICNOGVMX-UHFFFAOYSA-N 0 0 319.430 3.849 50 0 DHAARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1 ZINC000014831706 563403917 /nfs/dbraw/zinc/40/39/17/563403917.db2.gz FZAHMLRAQSEQJD-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN O=C1Nc2ccccc2[C@H]1Cc1cccc(Br)c1 ZINC000015017119 563405552 /nfs/dbraw/zinc/40/55/52/563405552.db2.gz GXTSSKHXXSPBSC-CYBMUJFWSA-N 0 0 302.171 3.728 50 0 DHAARN CCOc1ccc(C[C@@H]2c3ccccc3NC2=O)cc1OCC ZINC000015017062 563405588 /nfs/dbraw/zinc/40/55/88/563405588.db2.gz MQPWLQURVITNPS-OAHLLOKOSA-N 0 0 311.381 3.762 50 0 DHAARN CC(=O)c1ccccc1NC(=O)CNc1ccccc1Cl ZINC000015085899 563406971 /nfs/dbraw/zinc/40/69/71/563406971.db2.gz RAUZPGPEPJWNTA-UHFFFAOYSA-N 0 0 302.761 3.593 50 0 DHAARN O=C(C[C@@H](c1cccc(O)c1)c1ccccc1Cl)NC1CC1 ZINC000015067335 563406998 /nfs/dbraw/zinc/40/69/98/563406998.db2.gz HSUADIISQDMVSI-INIZCTEOSA-N 0 0 315.800 3.846 50 0 DHAARN CCC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@@H]2[C@@H]1c1ccco1 ZINC000004555197 563407525 /nfs/dbraw/zinc/40/75/25/563407525.db2.gz OFOXTMOYXZXIJT-NXOUGTEYSA-N 0 0 315.344 3.994 50 0 DHAARN CCCCN(CC)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000032888298 563408341 /nfs/dbraw/zinc/40/83/41/563408341.db2.gz XYVIXABKELPCLL-UHFFFAOYSA-N 0 0 305.809 3.992 50 0 DHAARN O=C(Cc1ccc2c(c1)CCC2)Nc1cnc2ccccc2c1 ZINC000032900706 563409707 /nfs/dbraw/zinc/40/97/07/563409707.db2.gz JGOBCLUCYUUWDG-UHFFFAOYSA-N 0 0 302.377 3.905 50 0 DHAARN COc1ccc(OC)c(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000015355807 563409728 /nfs/dbraw/zinc/40/97/28/563409728.db2.gz XYBGMIWNGSYLBT-UHFFFAOYSA-N 0 0 311.381 3.835 50 0 DHAARN Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000032903096 563410174 /nfs/dbraw/zinc/41/01/74/563410174.db2.gz VXDRDPGQBOCKNR-LLVKDONJSA-N 0 0 308.303 3.900 50 0 DHAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCC(F)(F)F)cc1 ZINC000032905375 563410232 /nfs/dbraw/zinc/41/02/32/563410232.db2.gz ZSYKABIRGILPFX-UHFFFAOYSA-N 0 0 321.298 3.518 50 0 DHAARN Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccccn2)cc1 ZINC000032905405 563410298 /nfs/dbraw/zinc/41/02/98/563410298.db2.gz JSDOJWJGVIGPKC-UHFFFAOYSA-N 0 0 316.360 3.873 50 0 DHAARN CNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000032903298 563410334 /nfs/dbraw/zinc/41/03/34/563410334.db2.gz DMVXURNBFRONEO-UHFFFAOYSA-N 0 0 323.396 3.569 50 0 DHAARN CC(C)c1ccccc1NC(=O)CNC(=O)Nc1ccccc1 ZINC000032899974 563410426 /nfs/dbraw/zinc/41/04/26/563410426.db2.gz VZNZTOOMZWIKCY-UHFFFAOYSA-N 0 0 311.385 3.570 50 0 DHAARN COc1ccc2c(c1)CC/C(=C/c1ccc(N(C)C)cc1)C2=O ZINC000000183965 563413042 /nfs/dbraw/zinc/41/30/42/563413042.db2.gz DIMSXLVQCLMKRE-VBKFSLOCSA-N 0 0 307.393 3.974 50 0 DHAARN Cc1ccc2nc(-c3ccccc3Br)oc(=O)c2c1 ZINC000016623286 563413045 /nfs/dbraw/zinc/41/30/45/563413045.db2.gz FNTZEEPCMBVXAO-UHFFFAOYSA-N 0 0 316.154 3.926 50 0 DHAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc(F)c1 ZINC000032930536 563413510 /nfs/dbraw/zinc/41/35/10/563413510.db2.gz PZPAHKRVUKOSTP-UHFFFAOYSA-N 0 0 322.339 3.943 50 0 DHAARN C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(Cl)ccc1F ZINC000032931293 563414144 /nfs/dbraw/zinc/41/41/44/563414144.db2.gz QRXBNTPMUXXPPV-XHDPSFHLSA-N 0 0 313.800 3.804 50 0 DHAARN Cc1cc2ccccc2n1CC(=O)OCc1nc2ccccc2o1 ZINC000010622160 563414627 /nfs/dbraw/zinc/41/46/27/563414627.db2.gz QNUQHFUCTKUNNB-UHFFFAOYSA-N 0 0 320.348 3.834 50 0 DHAARN CCOc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1 ZINC000010641841 563415579 /nfs/dbraw/zinc/41/55/79/563415579.db2.gz WPMFEWVMVKBCBN-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN C=CCn1cc(/C=C2\SC(=O)N(CC)C2=O)c2ccccc21 ZINC000000981842 563415786 /nfs/dbraw/zinc/41/57/86/563415786.db2.gz LPLLSQCXXYVIPT-GDNBJRDFSA-N 0 0 312.394 3.884 50 0 DHAARN Nc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000001415990 563417408 /nfs/dbraw/zinc/41/74/08/563417408.db2.gz STABSBLDDWSULD-UVTDQMKNSA-N 0 0 312.419 3.675 50 0 DHAARN Cc1cc(Nc2ccc(Nc3ccccc3)cc2)n2ncnc2n1 ZINC000025317250 563421839 /nfs/dbraw/zinc/42/18/39/563421839.db2.gz GJGYXDJWMMFLEX-UHFFFAOYSA-N 0 0 316.368 3.920 50 0 DHAARN COc1cc(F)ccc1NC(=O)c1ccc(Br)cc1 ZINC000025309568 563421864 /nfs/dbraw/zinc/42/18/64/563421864.db2.gz WKFMSUSBLQMBFB-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)C3CC3)o2)cc1C ZINC000025595158 563423344 /nfs/dbraw/zinc/42/33/44/563423344.db2.gz KMAILOKBJLVAJE-AWEZNQCLSA-N 0 0 312.413 3.806 50 0 DHAARN c1cnn(Cc2cccc(Nc3ncnc4ccsc43)c2)c1 ZINC000025503319 563423656 /nfs/dbraw/zinc/42/36/56/563423656.db2.gz SOUSWTJSVDTBOP-UHFFFAOYSA-N 0 0 307.382 3.680 50 0 DHAARN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCc2ccccc2C1 ZINC000025798425 563424592 /nfs/dbraw/zinc/42/45/92/563424592.db2.gz MCLUUZRIROTJCL-RHSMWYFYSA-N 0 0 306.409 3.844 50 0 DHAARN Cc1cccc(NC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)c1 ZINC000011009166 563425854 /nfs/dbraw/zinc/42/58/54/563425854.db2.gz WKWRHJNJPPGVNU-KRWDZBQOSA-N 0 0 320.396 3.824 50 0 DHAARN COc1ccccc1NC(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000011008343 563426000 /nfs/dbraw/zinc/42/60/00/563426000.db2.gz JKPHLZJRXZWUJR-ZDUSSCGKSA-N 0 0 314.385 3.544 50 0 DHAARN C[C@@H](c1nc(-c2cccs2)no1)N1CCc2ccccc2C1 ZINC000026807466 563426830 /nfs/dbraw/zinc/42/68/30/563426830.db2.gz QUCSUVGKKNYXFT-LBPRGKRZSA-N 0 0 311.410 3.917 50 0 DHAARN C[C@H](CNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1 ZINC000026754004 563426897 /nfs/dbraw/zinc/42/68/97/563426897.db2.gz GTVDCHOHAGPCCC-CQSZACIVSA-N 0 0 322.408 3.569 50 0 DHAARN COc1ccc(N[C@H](C)c2nc(-c3cccs3)no2)cc1 ZINC000026982514 563427310 /nfs/dbraw/zinc/42/73/10/563427310.db2.gz AVLDPGHUVZYONP-SNVBAGLBSA-N 0 0 301.371 3.980 50 0 DHAARN Cc1cc(CS[C@@H](C)C(=O)Nc2ccccc2Cl)no1 ZINC000027190947 563427353 /nfs/dbraw/zinc/42/73/53/563427353.db2.gz GRRVLPGPTXZXAH-JTQLQIEISA-N 0 0 310.806 3.897 50 0 DHAARN O=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(O)cc1 ZINC000027533605 563428056 /nfs/dbraw/zinc/42/80/56/563428056.db2.gz JSKXFVGQQSRPDX-GSPDUGTFSA-N 0 0 313.334 3.782 50 0 DHAARN Cc1nc(CC(=O)Nc2ccc(SC(F)F)cc2)cs1 ZINC000027653524 563428811 /nfs/dbraw/zinc/42/88/11/563428811.db2.gz UYBZGWVSSYPSFH-UHFFFAOYSA-N 0 0 314.382 3.947 50 0 DHAARN CCCCCCOc1ccc(C(=O)Nc2nonc2C)cc1 ZINC000027662820 563429605 /nfs/dbraw/zinc/42/96/05/563429605.db2.gz HHFBAEFCSNRVKD-UHFFFAOYSA-N 0 0 303.362 3.589 50 0 DHAARN O=C(NCc1cc(-c2cccs2)on1)c1c(F)cccc1F ZINC000011025850 563430188 /nfs/dbraw/zinc/43/01/88/563430188.db2.gz PLFFUMFOBSPOQI-UHFFFAOYSA-N 0 0 320.320 3.611 50 0 DHAARN C[C@@H](c1ccccc1F)N(C(=O)NCc1ccco1)C1CC1 ZINC000072273193 563430974 /nfs/dbraw/zinc/43/09/74/563430974.db2.gz JNKCKRGGYYDZQH-LBPRGKRZSA-N 0 0 302.349 3.854 50 0 DHAARN CCc1nc(CN[C@H]2CCCc3c2cnn3C(C)(C)C)cs1 ZINC000072274463 563431589 /nfs/dbraw/zinc/43/15/89/563431589.db2.gz HFNPMQLBUBBPKV-AWEZNQCLSA-N 0 0 318.490 3.824 50 0 DHAARN Cc1cccc(NC(=S)N2C(=O)CSc3ccccc32)c1 ZINC000028527560 563432442 /nfs/dbraw/zinc/43/24/42/563432442.db2.gz NIQLKBJLQRDJNE-UHFFFAOYSA-N 0 0 314.435 3.831 50 0 DHAARN CC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)=O)c1 ZINC000028853015 563433065 /nfs/dbraw/zinc/43/30/65/563433065.db2.gz ZRMNGNAKZUVSPV-GFCCVEGCSA-N 0 0 324.380 3.531 50 0 DHAARN Cc1cc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)no1 ZINC000028988987 563433126 /nfs/dbraw/zinc/43/31/26/563433126.db2.gz OMYVOWCGIMSNBF-VIFPVBQESA-N 0 0 313.279 3.885 50 0 DHAARN CCOc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)cc1C ZINC000072283381 563433456 /nfs/dbraw/zinc/43/34/56/563433456.db2.gz CSXVIVFQERZCDY-NSHDSACASA-N 0 0 317.389 3.881 50 0 DHAARN Cc1c(C(=O)Nc2ccc3c(c2)CCC3)[nH]c2c1C(=O)CCC2 ZINC000029357199 563434030 /nfs/dbraw/zinc/43/40/30/563434030.db2.gz OLFQOCDKMHZCRW-UHFFFAOYSA-N 0 0 308.381 3.583 50 0 DHAARN c1ccc(C(NCc2nc(C3CC3)no2)c2ccccc2)cc1 ZINC000029450073 563434847 /nfs/dbraw/zinc/43/48/47/563434847.db2.gz GIGKSCDQWSYMAV-UHFFFAOYSA-N 0 0 305.381 3.826 50 0 DHAARN Cc1nc(CSc2nnc(CCC3CCCC3)[nH]2)cs1 ZINC000029621360 563435355 /nfs/dbraw/zinc/43/53/55/563435355.db2.gz IMZPLICLVQGKIZ-UHFFFAOYSA-N 0 0 308.476 3.985 50 0 DHAARN C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000030009388 563435812 /nfs/dbraw/zinc/43/58/12/563435812.db2.gz DWLRZAIBRMRWJK-LBPRGKRZSA-N 0 0 317.820 3.845 50 0 DHAARN CC(C)(C)c1noc(CN2CCCc3c(F)cc(F)cc32)n1 ZINC000029922558 563435961 /nfs/dbraw/zinc/43/59/61/563435961.db2.gz WHXIGIVYMMJJDY-UHFFFAOYSA-N 0 0 307.344 3.598 50 0 DHAARN O=C(Nc1cccc2c[nH]nc21)c1cc(-c2ccccc2F)on1 ZINC000030040232 563435973 /nfs/dbraw/zinc/43/59/73/563435973.db2.gz BZHJBRUVVXZIFM-UHFFFAOYSA-N 0 0 322.299 3.609 50 0 DHAARN COc1cc(OC)cc(C(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000030547482 563436627 /nfs/dbraw/zinc/43/66/27/563436627.db2.gz YXHIRVATLINPFL-NSHDSACASA-N 0 0 317.410 3.525 50 0 DHAARN CCC(C)(C)C1CCC(NC(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000030225236 563437060 /nfs/dbraw/zinc/43/70/60/563437060.db2.gz FEVLNMYBAVNSAQ-UHFFFAOYSA-N 0 0 314.433 3.683 50 0 DHAARN CN(C)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000030763280 563438380 /nfs/dbraw/zinc/43/83/80/563438380.db2.gz YRMNVCMBJRKRDW-IBGZPJMESA-N 0 0 308.425 3.600 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1C ZINC000031112999 563439754 /nfs/dbraw/zinc/43/97/54/563439754.db2.gz JXGHSQUAFZCFAN-UHFFFAOYSA-N 0 0 300.333 3.735 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1C ZINC000031112994 563439853 /nfs/dbraw/zinc/43/98/53/563439853.db2.gz PVRYCZQRKWGMCT-UHFFFAOYSA-N 0 0 312.369 3.604 50 0 DHAARN CC[C@]1(CO)CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000032581770 563442536 /nfs/dbraw/zinc/44/25/36/563442536.db2.gz WBLKHMSAHXCCPI-ZDUSSCGKSA-N 0 0 322.758 3.743 50 0 DHAARN Cc1cc2nnc(-c3cnc(C)nc3)n2c2cc(Cl)ccc12 ZINC000032558429 563442541 /nfs/dbraw/zinc/44/25/41/563442541.db2.gz XEVZDZZMLQTCKO-UHFFFAOYSA-N 0 0 309.760 3.610 50 0 DHAARN CCc1nc(CN(C)C(=O)C[C@@H](C)c2ccccc2F)cs1 ZINC000071184943 563442610 /nfs/dbraw/zinc/44/26/10/563442610.db2.gz AKGHXGIUJKZLQH-GFCCVEGCSA-N 0 0 320.433 3.997 50 0 DHAARN COc1ccc(S(=O)(=O)Oc2ccccc2)c2ccccc12 ZINC000032401223 563442841 /nfs/dbraw/zinc/44/28/41/563442841.db2.gz OWGQVACIFRKAMN-UHFFFAOYSA-N 0 0 314.362 3.616 50 0 DHAARN Cc1cccc2c1C(=O)N[C@H](c1ccc(-c3cccnc3)o1)N2 ZINC000072302522 563443067 /nfs/dbraw/zinc/44/30/67/563443067.db2.gz OZEPRYLWDBXERU-QGZVFWFLSA-N 0 0 305.337 3.504 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCC3=O)c(C)c1 ZINC000011100632 563444639 /nfs/dbraw/zinc/44/46/39/563444639.db2.gz WSRCCZGQGLMBRQ-CQSZACIVSA-N 0 0 323.392 3.838 50 0 DHAARN COc1ccc(C(=O)c2c(C)oc3ccc(O)cc32)c(OC)c1 ZINC000000446164 563447663 /nfs/dbraw/zinc/44/76/63/563447663.db2.gz AMFKGJAGBOHOBA-UHFFFAOYSA-N 0 0 312.321 3.695 50 0 biogenic DHAARN C[C@H](NC(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000001186419 563448090 /nfs/dbraw/zinc/44/80/90/563448090.db2.gz QEDFBWSVDYGXBJ-NSHDSACASA-N 0 0 317.772 3.602 50 0 DHAARN CCCCCC[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000002097696 563448278 /nfs/dbraw/zinc/44/82/78/563448278.db2.gz YKZYZRBKXDEHFI-JKSUJKDBSA-N 0 0 300.402 3.778 50 0 biogenic DHAARN CCC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc(OC)cc1 ZINC000000613553 563448315 /nfs/dbraw/zinc/44/83/15/563448315.db2.gz OCOBVEAQRJVGJS-MRXNPFEDSA-N 0 0 312.369 3.684 50 0 DHAARN O=C(c1cccc2ccccc21)N1C[C@H](c2ccccc2)CC1=O ZINC000001178712 563448366 /nfs/dbraw/zinc/44/83/66/563448366.db2.gz PJEVIZNPNKNFIL-QGZVFWFLSA-N 0 0 315.372 3.996 50 0 DHAARN Cc1cccc(C(C)(C)C)c1OCCOCCn1ccnc1 ZINC000016193093 563448612 /nfs/dbraw/zinc/44/86/12/563448612.db2.gz XTMPGZZFKLDKPS-UHFFFAOYSA-N 0 0 302.418 3.585 50 0 DHAARN CCOc1cccc(OCCOCCOc2ccccc2F)c1 ZINC000022238499 563449884 /nfs/dbraw/zinc/44/98/84/563449884.db2.gz ZRGBMQOPKMFJAO-UHFFFAOYSA-N 0 0 320.360 3.699 50 0 DHAARN Cc1ccc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)[C@@H]2C)cc1 ZINC000005019427 563450801 /nfs/dbraw/zinc/45/08/01/563450801.db2.gz MRQHYIGWVUXPHZ-YWZLYKJASA-N 0 0 307.393 3.871 50 0 DHAARN COc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(C)o2)cc1F ZINC000194008768 563451048 /nfs/dbraw/zinc/45/10/48/563451048.db2.gz GVNBWYKVIUNLBP-LBPRGKRZSA-N 0 0 320.364 3.638 50 0 DHAARN CCN(C(=O)CO[C@@H]1CCC[C@H](C)C1)[C@H](C)c1cccc(O)c1 ZINC000072311481 563451875 /nfs/dbraw/zinc/45/18/75/563451875.db2.gz VZEOSXCREMJPFX-HDMKZQKVSA-N 0 0 319.445 3.897 50 0 DHAARN O=C(NCc1cccs1)c1cccc(-n2cc[nH]c2=S)c1 ZINC000036378469 563454889 /nfs/dbraw/zinc/45/48/89/563454889.db2.gz AAXQDVLYGQKRTG-UHFFFAOYSA-N 0 0 315.423 3.526 50 0 DHAARN Cc1c(NC(=O)c2cccs2)cccc1NC(=O)C1CC1 ZINC000036567547 563455337 /nfs/dbraw/zinc/45/53/37/563455337.db2.gz OHZNZZHFGFLQDC-UHFFFAOYSA-N 0 0 300.383 3.657 50 0 DHAARN Clc1cnc(Cl)c(Cl)c1I ZINC000036532828 563455481 /nfs/dbraw/zinc/45/54/81/563455481.db2.gz IPDPWUULSOOSCC-UHFFFAOYSA-N 0 0 308.333 3.646 50 0 DHAARN Cc1nc([C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)cs1 ZINC000036915317 563457122 /nfs/dbraw/zinc/45/71/22/563457122.db2.gz QBWMBZCMEXXOIL-SNVBAGLBSA-N 0 0 301.415 3.973 50 0 DHAARN Clc1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000037370026 563457750 /nfs/dbraw/zinc/45/77/50/563457750.db2.gz GEPPWBCPYIBEHQ-UHFFFAOYSA-N 0 0 302.790 3.681 50 0 DHAARN CCCCN(C(=O)Cc1cn2ccsc2n1)c1ccccc1 ZINC000032994326 563458489 /nfs/dbraw/zinc/45/84/89/563458489.db2.gz USQPQNWHYNODGD-UHFFFAOYSA-N 0 0 313.426 3.772 50 0 DHAARN Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)n1 ZINC000037859005 563458589 /nfs/dbraw/zinc/45/85/89/563458589.db2.gz HDCJGWBYBBLTDR-XNTDXEJSSA-N 0 0 310.378 3.627 50 0 DHAARN CCOc1ccc(N2C(=O)CC(c3ccc(C)cc3)CC2=O)cc1 ZINC000032985323 563458873 /nfs/dbraw/zinc/45/88/73/563458873.db2.gz BVYZQAIKYGCNLT-UHFFFAOYSA-N 0 0 323.392 3.831 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)Nc3ccccc3C)cc2)no1 ZINC000032996300 563459139 /nfs/dbraw/zinc/45/91/39/563459139.db2.gz ACDJZONILNYQTI-UHFFFAOYSA-N 0 0 308.341 3.997 50 0 DHAARN Cc1nc2ccccc2nc1N1CCO[C@@H](c2ccccc2)C1 ZINC000071797886 563460271 /nfs/dbraw/zinc/46/02/71/563460271.db2.gz HMAKMRVHIDPTJD-GOSISDBHSA-N 0 0 305.381 3.516 50 0 DHAARN O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)[C@H]1CCCO1 ZINC000071796414 563460347 /nfs/dbraw/zinc/46/03/47/563460347.db2.gz SMTGAZPIURJEFB-MRXNPFEDSA-N 0 0 303.308 3.749 50 0 DHAARN COc1cc(C(C)=O)ccc1Oc1ncnc2oc(C)c(C)c21 ZINC000032996727 563460372 /nfs/dbraw/zinc/46/03/72/563460372.db2.gz GPTKXRLMGOCENL-UHFFFAOYSA-N 0 0 312.325 3.843 50 0 DHAARN Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc2ncccc2c1=O ZINC000071794618 563460373 /nfs/dbraw/zinc/46/03/73/563460373.db2.gz NJGZMLNOOKZPLS-UHFFFAOYSA-N 0 0 321.424 3.754 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)NC3CCCCCC3)cc2)no1 ZINC000032996341 563460378 /nfs/dbraw/zinc/46/03/78/563460378.db2.gz KEYFXKRFTHSLMQ-UHFFFAOYSA-N 0 0 314.389 3.889 50 0 DHAARN Cc1ccc(-c2ncc(NC(=O)Cc3ccccc3F)cn2)cc1 ZINC000097938526 563461007 /nfs/dbraw/zinc/46/10/07/563461007.db2.gz MMPVQIVSEKAHIB-UHFFFAOYSA-N 0 0 321.355 3.772 50 0 DHAARN CC[C@@H](C)NC(=O)c1nc2ccccn2c1-c1ccc(OC)cc1 ZINC000097939296 563461308 /nfs/dbraw/zinc/46/13/08/563461308.db2.gz YVPYJGHMKYXQIE-CYBMUJFWSA-N 0 0 323.396 3.538 50 0 DHAARN Cc1ccc(-c2noc(-c3cccnc3N3CCCC3)n2)cc1 ZINC000033004338 563461516 /nfs/dbraw/zinc/46/15/16/563461516.db2.gz XCYHRBIPSJQNAG-UHFFFAOYSA-N 0 0 306.369 3.707 50 0 DHAARN FC(F)(F)[C@](F)(Br)C(F)(F)Br ZINC000045329266 563464921 /nfs/dbraw/zinc/46/49/21/563464921.db2.gz KTULQNFKNLFOHL-SFOWXEAESA-N 0 0 309.829 3.597 50 0 DHAARN C=C1c2ccccc2NC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013636161 563467743 /nfs/dbraw/zinc/46/77/43/563467743.db2.gz VMRHKOJLIVPVET-UHFFFAOYSA-N 0 0 310.378 3.819 50 0 DHAARN Cc1cc(NC(=O)c2nc3ccccc3s2)n(C(C)C)n1 ZINC000013656883 563468108 /nfs/dbraw/zinc/46/81/08/563468108.db2.gz DTYNXKFVQQEISY-UHFFFAOYSA-N 0 0 300.387 3.634 50 0 DHAARN O=C(Nc1ccc2cc[nH]c2c1)c1cn2cc(Cl)ccc2n1 ZINC000013688525 563468993 /nfs/dbraw/zinc/46/89/93/563468993.db2.gz GVVVKLZEUBVQHD-UHFFFAOYSA-N 0 0 310.744 3.721 50 0 DHAARN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(Cc2ccccc2)o1 ZINC000071911980 563469152 /nfs/dbraw/zinc/46/91/52/563469152.db2.gz JMYNPIRIZRDSJX-OIISXLGYSA-N 0 0 311.429 3.813 50 0 DHAARN CCN(CC)c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1 ZINC000013752002 563469568 /nfs/dbraw/zinc/46/95/68/563469568.db2.gz CCIPNZUEBQZXPS-XFXZXTDPSA-N 0 0 308.403 3.571 50 0 DHAARN CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1cnn2ccccc12 ZINC000055072197 563470559 /nfs/dbraw/zinc/47/05/59/563470559.db2.gz ZYAOCOIFCHXMTD-AWEZNQCLSA-N 0 0 311.385 3.614 50 0 DHAARN Cc1ccc(C)c(O[C@H](C)C(=O)N2CCc3sccc3C2)c1 ZINC000055099458 563471179 /nfs/dbraw/zinc/47/11/79/563471179.db2.gz TWSKURXABQVXQX-CQSZACIVSA-N 0 0 315.438 3.717 50 0 DHAARN CCCCN(C)C(=O)c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000055133032 563471708 /nfs/dbraw/zinc/47/17/08/563471708.db2.gz FXHMBNCSUIKGSS-UHFFFAOYSA-N 0 0 314.385 3.712 50 0 DHAARN CCOc1ccccc1C[N@H+](CC)Cc1ccccc1C(=O)[O-] ZINC000055120553 563471914 /nfs/dbraw/zinc/47/19/14/563471914.db2.gz ZBXQOWWGUSGQTQ-UHFFFAOYSA-N 0 0 313.397 3.806 50 0 DHAARN CCOc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1CO ZINC000055153996 563471926 /nfs/dbraw/zinc/47/19/26/563471926.db2.gz HABBZESCQZZOSL-UHFFFAOYSA-N 0 0 302.761 3.774 50 0 DHAARN C[NH+](C)[C@@H](C(=O)[O-])c1cccc2c1Sc1ccccc1S2 ZINC000055225966 563472622 /nfs/dbraw/zinc/47/26/22/563472622.db2.gz DTEOQYRVEJZXAY-CQSZACIVSA-N 0 0 317.435 3.990 50 0 DHAARN Cc1ccc2nc(C)c(C(=O)NCCCc3ccco3)cc2c1 ZINC000055199012 563472939 /nfs/dbraw/zinc/47/29/39/563472939.db2.gz GBBMVJAKQWGNLP-UHFFFAOYSA-N 0 0 308.381 3.807 50 0 DHAARN CC[C@H](C)N(Cc1cccnc1)C(=O)c1ccc(C(C)=O)s1 ZINC000055270974 563473381 /nfs/dbraw/zinc/47/33/81/563473381.db2.gz LXGHNRWVTIOSHI-LBPRGKRZSA-N 0 0 316.426 3.787 50 0 DHAARN Cc1ccc(C)c(N2CCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000055291995 563473484 /nfs/dbraw/zinc/47/34/84/563473484.db2.gz NXVSOQDGEMYDBW-UHFFFAOYSA-N 0 0 316.395 3.904 50 0 DHAARN CC[C@H](C)N(C(=O)Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000055327990 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Cc1csc([C@@H](OC(=O)c2ccc(C)nc2)C(F)(F)F)n1 ZINC000096456261 563482778 /nfs/dbraw/zinc/48/27/78/563482778.db2.gz RAWXCZUMYTWHIS-SNVBAGLBSA-N 0 0 316.304 3.615 50 0 DHAARN O=C(CCc1ccccn1)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000096466184 563483731 /nfs/dbraw/zinc/48/37/31/563483731.db2.gz JLWAEPUORSYZCT-KRWDZBQOSA-N 0 0 322.408 3.577 50 0 DHAARN C[C@@H](C(=O)N(Cc1cccs1)C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000096467577 563483770 /nfs/dbraw/zinc/48/37/70/563483770.db2.gz AWRBBEVNXAUPRZ-DYVFJYSZSA-N 0 0 314.454 3.575 50 0 DHAARN O=c1ccn(Cc2ncc(-c3ccccc3)o2)c2ccccc12 ZINC000096461923 563483791 /nfs/dbraw/zinc/48/37/91/563483791.db2.gz AYDKITFTKHZSKB-UHFFFAOYSA-N 0 0 302.333 3.705 50 0 DHAARN CCN(C/C=C/c1ccccc1)c1nc(C)nc2oc(C)nc21 ZINC000063834309 563484955 /nfs/dbraw/zinc/48/49/55/563484955.db2.gz QIOGOAARDOZHCW-DHZHZOJOSA-N 0 0 308.385 3.774 50 0 DHAARN CCn1c2cnccc2nc(Nc2ccc(Cl)c(C)c2)c1=O ZINC000097945097 563486616 /nfs/dbraw/zinc/48/66/16/563486616.db2.gz DSKYQBUHADMIMJ-UHFFFAOYSA-N 0 0 314.776 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CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000097143235 563506640 /nfs/dbraw/zinc/50/66/40/563506640.db2.gz BJEFDNDVORUICD-RTBURBONSA-N 0 0 323.392 3.539 50 0 DHAARN CCOc1cccc([C@H](C)NC(=O)Nc2ccncc2F)c1 ZINC000097135532 563506769 /nfs/dbraw/zinc/50/67/69/563506769.db2.gz RLDPPEATEXXGFE-NSHDSACASA-N 0 0 303.337 3.502 50 0 DHAARN CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccncc1F ZINC000097135611 563506771 /nfs/dbraw/zinc/50/67/71/563506771.db2.gz NXCMQERVEDROGM-UHFFFAOYSA-N 0 0 307.756 3.581 50 0 DHAARN CCOc1ncccc1C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000076509918 563506851 /nfs/dbraw/zinc/50/68/51/563506851.db2.gz BZYVPAAFVKFYID-OAHLLOKOSA-N 0 0 314.385 3.831 50 0 DHAARN C[C@@H](NC(=O)N[C@H]1CCCc2sccc21)c1cccnc1 ZINC000097161940 563507650 /nfs/dbraw/zinc/50/76/50/563507650.db2.gz MZSCKRXXMQLMEF-RISCZKNCSA-N 0 0 301.415 3.581 50 0 DHAARN Cc1nc([C@@H](C)N(C)Cc2noc(-c3ccco3)n2)c(C)s1 ZINC000077320765 563509148 /nfs/dbraw/zinc/50/91/48/563509148.db2.gz IVMNMXOHTUEPKU-SECBINFHSA-N 0 0 318.402 3.596 50 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O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccco1 ZINC000585147963 563521831 /nfs/dbraw/zinc/52/18/31/563521831.db2.gz KPQYKEXLSCGTRS-JTQLQIEISA-N 0 0 319.407 3.533 50 0 DHAARN O=C(NCCCOC1CCCCC1)c1ccc2ncsc2c1 ZINC000011355828 563522913 /nfs/dbraw/zinc/52/29/13/563522913.db2.gz JTOCAPPTKFVJJK-UHFFFAOYSA-N 0 0 318.442 3.766 50 0 DHAARN COc1ccc(C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)cc1 ZINC000000075043 563523357 /nfs/dbraw/zinc/52/33/57/563523357.db2.gz OFXZWDDMPDDQKS-ZDUSSCGKSA-N 0 0 308.381 3.538 50 0 biogenic DHAARN Cc1nc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2nc1C ZINC000008783097 563523991 /nfs/dbraw/zinc/52/39/91/563523991.db2.gz VKMABYNSXBZFED-UHFFFAOYSA-N 0 0 317.392 3.917 50 0 DHAARN Clc1nc(NCc2ccccc2)nc(Nc2ccccc2)n1 ZINC000000087001 563526237 /nfs/dbraw/zinc/52/62/37/563526237.db2.gz CTOMMDBBJMSBDQ-UHFFFAOYSA-N 0 0 311.776 3.881 50 0 DHAARN COc1ccc2c(c1)nc(N1CCOCC1)cc2-c1ccccc1 ZINC000000087172 563526835 /nfs/dbraw/zinc/52/68/35/563526835.db2.gz CKZHUGNNWROEQM-UHFFFAOYSA-N 0 0 320.392 3.747 50 0 DHAARN 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CC(C)(C)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000007407367 563906014 /nfs/dbraw/zinc/90/60/14/563906014.db2.gz VWYJANYSTBHXRL-UHFFFAOYSA-N 0 0 312.417 3.656 50 0 DHAARN O=C1NCc2ccc(N[C@H](c3ccccc3)c3ccncc3)cc21 ZINC000170593078 563906645 /nfs/dbraw/zinc/90/66/45/563906645.db2.gz DSWXAVRVHZZMBY-LJQANCHMSA-N 0 0 315.376 3.527 50 0 DHAARN CCc1cccc(N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000037214368 563906646 /nfs/dbraw/zinc/90/66/46/563906646.db2.gz APPHFSBNOBXXDC-MRXNPFEDSA-N 0 0 301.411 3.580 50 0 DHAARN COCc1nc(C)cc(N2CCC[C@]2(C)Cc2ccccc2)n1 ZINC000170596919 563906985 /nfs/dbraw/zinc/90/69/85/563906985.db2.gz KSWSPGDNOMTVCO-LJQANCHMSA-N 0 0 311.429 3.533 50 0 DHAARN C[C@@H]1CCCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000170598823 563907049 /nfs/dbraw/zinc/90/70/49/563907049.db2.gz ZWXUPAJSHRLKMW-LLVKDONJSA-N 0 0 301.308 3.847 50 0 DHAARN CC(C)(C)OC(=O)c1ccsc1NC(=O)NCc1ccco1 ZINC000170598238 563907167 /nfs/dbraw/zinc/90/71/67/563907167.db2.gz GIAOEWJWGSOFSR-UHFFFAOYSA-N 0 0 322.386 3.618 50 0 DHAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1c(F)ccc(F)c1F ZINC000170598923 563907365 /nfs/dbraw/zinc/90/73/65/563907365.db2.gz PJYYHWCRQGJNHJ-UHFFFAOYSA-N 0 0 323.299 3.808 50 0 DHAARN Cc1nnc(-c2ccc(NC(=O)Nc3ccsc3)cc2)o1 ZINC000170605371 563907475 /nfs/dbraw/zinc/90/74/75/563907475.db2.gz TULRKJSSQZXWSP-UHFFFAOYSA-N 0 0 300.343 3.751 50 0 DHAARN CC(C)c1ccc(NC(=O)N(CC2CCC2)[C@@H](C)CO)cc1 ZINC000170619517 563908568 /nfs/dbraw/zinc/90/85/68/563908568.db2.gz RFYAYCXLYWLTPH-AWEZNQCLSA-N 0 0 304.434 3.825 50 0 DHAARN CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1ccccc1F ZINC000170618933 563908622 /nfs/dbraw/zinc/90/86/22/563908622.db2.gz ARNOWHMCQULDKL-KRWDZBQOSA-N 0 0 300.308 3.662 50 0 DHAARN COc1ccccc1C1=NN(C(C)=O)[C@@H](c2cccc(F)c2)C1 ZINC000170625896 563908864 /nfs/dbraw/zinc/90/88/64/563908864.db2.gz PJRHNMLOWQMOSU-QGZVFWFLSA-N 0 0 312.344 3.532 50 0 DHAARN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCCCCCC1 ZINC000170631258 563908975 /nfs/dbraw/zinc/90/89/75/563908975.db2.gz BADKWNOWVKMTST-HOTGVXAUSA-N 0 0 310.482 3.803 50 0 DHAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc(O)c2)S1 ZINC000071285030 563909035 /nfs/dbraw/zinc/90/90/35/563909035.db2.gz UAARDSHNBVRMKH-ZDUSSCGKSA-N 0 0 303.387 3.761 50 0 DHAARN COc1ccc(C)cc1NC(=O)CN(C)[C@@H](C)c1cccs1 ZINC000014109040 563910216 /nfs/dbraw/zinc/91/02/16/563910216.db2.gz VGTPHBRTTZARGH-ZDUSSCGKSA-N 0 0 318.442 3.697 50 0 DHAARN CC(=O)c1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000014379164 563910639 /nfs/dbraw/zinc/91/06/39/563910639.db2.gz XPVYSJZFBLGBOT-UHFFFAOYSA-N 0 0 309.152 3.843 50 0 DHAARN COc1cccc(Br)c1OC(=O)OC(C)(C)C ZINC000089694254 563910853 /nfs/dbraw/zinc/91/08/53/563910853.db2.gz UIKYKSKVLGJRMT-UHFFFAOYSA-N 0 0 303.152 3.772 50 0 DHAARN Cc1nc(-c2cccc(C)c2)n(CC(=O)Nc2ccccc2C)n1 ZINC000089678033 563910891 /nfs/dbraw/zinc/91/08/91/563910891.db2.gz ISMMWSARLLFRLL-UHFFFAOYSA-N 0 0 320.396 3.509 50 0 DHAARN O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc2n[nH]cc2c1 ZINC000089800420 563911410 /nfs/dbraw/zinc/91/14/10/563911410.db2.gz BGYALMOAKYPITC-UHFFFAOYSA-N 0 0 305.381 3.623 50 0 DHAARN FC(F)n1ccnc1CN1CCC(=Cc2ccccc2)CC1 ZINC000089828178 563911476 /nfs/dbraw/zinc/91/14/76/563911476.db2.gz SEELKNQBVJDXAC-UHFFFAOYSA-N 0 0 303.356 3.958 50 0 DHAARN O=C(NCc1cccnc1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000089873205 563911633 /nfs/dbraw/zinc/91/16/33/563911633.db2.gz XKVHTAJLJLKICM-OALUTQOASA-N 0 0 302.377 3.655 50 0 DHAARN c1nc(-c2ccccc2OCc2cc(-c3ccccc3)on2)n[nH]1 ZINC000089851126 563911784 /nfs/dbraw/zinc/91/17/84/563911784.db2.gz FTMOIRHZXKHKCX-UHFFFAOYSA-N 0 0 318.336 3.706 50 0 DHAARN CC(C)N(C(=O)CN1CCC[C@@H]1c1ccncc1)c1ccccc1 ZINC000089869690 563911787 /nfs/dbraw/zinc/91/17/87/563911787.db2.gz HYVIQWCXHCCSPM-LJQANCHMSA-N 0 0 323.440 3.660 50 0 DHAARN COC[C@@H](C)NC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000076070717 563912276 /nfs/dbraw/zinc/91/22/76/563912276.db2.gz PEYCLENAMINRKV-GFCCVEGCSA-N 0 0 317.389 3.621 50 0 DHAARN CCC(CC)n1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2SC)n1 ZINC000089943230 563912363 /nfs/dbraw/zinc/91/23/63/563912363.db2.gz NASSWAKDYKONDJ-GJZGRUSLSA-N 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BLQUQSCENCIJSW-SCZZXKLOSA-N 0 0 305.271 3.751 50 0 DHAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000252479731 563915786 /nfs/dbraw/zinc/91/57/86/563915786.db2.gz BLQUQSCENCIJSW-WCBMZHEXSA-N 0 0 305.271 3.751 50 0 DHAARN CCCCC(=O)N1Cc2cc(OC)c(OC)cc2CC1(C)C ZINC000002156759 563916081 /nfs/dbraw/zinc/91/60/81/563916081.db2.gz ORDNTBFIBILHTO-UHFFFAOYSA-N 0 0 305.418 3.557 50 0 biogenic DHAARN CCN(C(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000252491461 563916108 /nfs/dbraw/zinc/91/61/08/563916108.db2.gz LMXUXYXCQXIPQU-VXGBXAGGSA-N 0 0 315.335 3.873 50 0 DHAARN COc1ncc(C)cc1NC(=O)c1oc(-c2ccccc2)nc1C ZINC000170649115 563916900 /nfs/dbraw/zinc/91/69/00/563916900.db2.gz GRGXCMXCLPCGPZ-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN Cc1noc(C)c1[C@H](C)CNC(=O)N(CC1CCC1)C(C)C ZINC000194117370 563916908 /nfs/dbraw/zinc/91/69/08/563916908.db2.gz CCXDFTOEAOJOAC-GFCCVEGCSA-N 0 0 307.438 3.615 50 0 DHAARN CCc1nnc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)s1 ZINC000153546769 563916923 /nfs/dbraw/zinc/91/69/23/563916923.db2.gz MGWQDPIISSJUPG-QWRGUYRKSA-N 0 0 320.418 3.699 50 0 DHAARN C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](C)O1 ZINC000054675192 563917055 /nfs/dbraw/zinc/91/70/55/563917055.db2.gz AXOXDGJSSWQIOC-UWVGGRQHSA-N 0 0 324.833 3.646 50 0 DHAARN O=C(c1noc2c1CCCC2)N1CCC[C@@H]1C1CCCCC1 ZINC000252550566 563917065 /nfs/dbraw/zinc/91/70/65/563917065.db2.gz STOGKLZEGCRXBN-OAHLLOKOSA-N 0 0 302.418 3.738 50 0 DHAARN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccncc1 ZINC000054674967 563917094 /nfs/dbraw/zinc/91/70/94/563917094.db2.gz XJKLQBSUUGJJCL-UHFFFAOYSA-N 0 0 318.380 3.534 50 0 DHAARN Clc1ccc(-c2nc(CSc3nc[nH]n3)cs2)cc1 ZINC000007603716 563917181 /nfs/dbraw/zinc/91/71/81/563917181.db2.gz MPJSILWLBGWQEJ-UHFFFAOYSA-N 0 0 308.819 3.874 50 0 DHAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2C)c1C ZINC000007637593 563917567 /nfs/dbraw/zinc/91/75/67/563917567.db2.gz GJCQFOZQVFVLTB-UHFFFAOYSA-N 0 0 314.385 3.677 50 0 DHAARN C[C@H](C[C@H](O)c1ccco1)Nc1ccnc(-c2ccccc2)n1 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Cc1cnc(-c2ccccc2)n1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000581805872 1021848243 /nfs/dbraw/zinc/84/82/43/1021848243.db2.gz GZHVEZPGZBGULZ-SFHVURJKSA-N 0 0 323.440 3.822 50 0 DHAARN Cc1noc([C@@H]2CCCCCN2C(=O)Nc2ccccc2)n1 ZINC000257183018 1022225205 /nfs/dbraw/zinc/22/52/05/1022225205.db2.gz QPHAILZITLMACQ-AWEZNQCLSA-N 0 0 300.362 3.527 50 0 DHAARN Cc1ccc(/C=C/c2nc(=S)n(CN3CCC[C@@H](C)C3)[nH]2)o1 ZINC000014186819 1022299924 /nfs/dbraw/zinc/29/99/24/1022299924.db2.gz JCDPTNXRJLORIX-ABZNLYFFSA-N 0 0 318.446 3.702 50 0 DHAARN CCc1nccn1[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000122939115 1022320518 /nfs/dbraw/zinc/32/05/18/1022320518.db2.gz AAZDUTBVRIPTJJ-GFCCVEGCSA-N 0 0 324.350 3.701 50 0 DHAARN Cc1ccc2c(c1)C(=O)c1sc3ccccc3c1[Si]2(C)C ZINC000195810897 1022630086 /nfs/dbraw/zinc/63/00/86/1022630086.db2.gz SSHVTPJICXDQNR-UHFFFAOYSA-N 0 0 308.478 3.577 50 0 DHAARN COc1cc(CNc2ccccc2OCC(F)(F)F)sn1 ZINC000399095238 1022639786 /nfs/dbraw/zinc/63/97/86/1022639786.db2.gz CQBQGLHNMBTUNV-UHFFFAOYSA-N 0 0 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313.810 3.599 50 0 DHAARN COc1ccccc1-c1cnc(Cn2ccc(C(F)(F)F)n2)o1 ZINC000095410504 185357312 /nfs/dbraw/zinc/35/73/12/185357312.db2.gz MGUNPQMVYZQFHE-UHFFFAOYSA-N 0 0 323.274 3.614 50 0 DHAARN C[C@@H](CNC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccsc1 ZINC000095426209 185361852 /nfs/dbraw/zinc/36/18/52/185361852.db2.gz BKYVSDNIXIYOQQ-DZGCQCFKSA-N 0 0 322.474 3.643 50 0 DHAARN Cc1csc(CNc2cccc(NC(=O)c3ccoc3)c2)n1 ZINC000095428905 185362278 /nfs/dbraw/zinc/36/22/78/185362278.db2.gz IVQYBDJAZYKQFF-UHFFFAOYSA-N 0 0 313.382 3.909 50 0 DHAARN CO[C@@H](C)c1cccc(NCc2ccc([S@@](C)=O)cc2)c1 ZINC000095428993 185362487 /nfs/dbraw/zinc/36/24/87/185362487.db2.gz WIIDWTREUDMRSH-ZSEKCTLFSA-N 0 0 303.427 3.744 50 0 DHAARN C[S@](=O)c1ccc(NCc2cccc3cccnc32)cc1F ZINC000095429305 185362688 /nfs/dbraw/zinc/36/26/88/185362688.db2.gz ZISYPUBDAWMDSS-JOCHJYFZSA-N 0 0 314.385 3.723 50 0 DHAARN C[S@@](=O)c1ccc(NCc2ccc(Cl)s2)cc1F ZINC000095429298 185362726 /nfs/dbraw/zinc/36/27/26/185362726.db2.gz QBVWDUDMHVCZTD-SFHVURJKSA-N 0 0 303.811 3.890 50 0 DHAARN CCn1c(C)cc(C(=O)N(C)Cc2cccc3ncccc23)c1C ZINC000082156534 192363111 /nfs/dbraw/zinc/36/31/11/192363111.db2.gz RWZXVROFXPSNFP-UHFFFAOYSA-N 0 0 321.424 3.945 50 0 DHAARN Cc1nc(CNC(=O)N[C@H]2CC[C@H](C)c3ccccc32)oc1C ZINC000095434389 185364379 /nfs/dbraw/zinc/36/43/79/185364379.db2.gz STCXTPSINCTZNT-ZBEGNZNMSA-N 0 0 313.401 3.729 50 0 DHAARN Cc1nnccc1C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000095435253 185364760 /nfs/dbraw/zinc/36/47/60/185364760.db2.gz PYAAYSFPHQPFOA-GFCCVEGCSA-N 0 0 315.804 3.804 50 0 DHAARN Cc1nnc([C@@H](N[C@@H]2CCc3ccc(C)cc32)c2ccccc2)[nH]1 ZINC000095421730 185360815 /nfs/dbraw/zinc/36/08/15/185360815.db2.gz AMSPZROQRILBRP-MOPGFXCFSA-N 0 0 318.424 3.788 50 0 DHAARN CCc1sc([C@@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1C ZINC000095440054 185366043 /nfs/dbraw/zinc/36/60/43/185366043.db2.gz OYGPIQPSILSWJL-CHWSQXEVSA-N 0 0 309.475 3.859 50 0 DHAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1OCC[C@H]1C ZINC000095440391 185366251 /nfs/dbraw/zinc/36/62/51/185366251.db2.gz WXIINKNGDNRGMJ-KGYLQXTDSA-N 0 0 310.463 3.519 50 0 DHAARN O=C(Cn1nc(Cl)c2ccccc21)N(C1CC1)C1CCCC1 ZINC000095455652 185369922 /nfs/dbraw/zinc/36/99/22/185369922.db2.gz MGQWAGKBFAZBDO-UHFFFAOYSA-N 0 0 317.820 3.623 50 0 DHAARN O=C(/C=C\c1ccccc1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000097011171 185397043 /nfs/dbraw/zinc/39/70/43/185397043.db2.gz UDOBILUJBOEQDA-JZHDPFOFSA-N 0 0 323.392 3.896 50 0 DHAARN C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccnc1 ZINC000097014665 185397189 /nfs/dbraw/zinc/39/71/89/185397189.db2.gz NWTBYHYRFRJPMM-CYBMUJFWSA-N 0 0 319.355 3.620 50 0 DHAARN CC(C)(C)C1=N/C(=C/c2csc(Br)c2)C(=O)O1 ZINC000097029949 185399132 /nfs/dbraw/zinc/39/91/32/185399132.db2.gz WXKQDTOLUZVMOU-XBXARRHUSA-N 0 0 314.204 3.853 50 0 DHAARN COCC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccco1 ZINC000095468449 185372295 /nfs/dbraw/zinc/37/22/95/185372295.db2.gz PDWCCMNYYZTNKZ-INIZCTEOSA-N 0 0 317.385 3.574 50 0 DHAARN CC(C)C(=O)Nc1ccc(N[C@H](C)c2cncc(F)c2)cc1 ZINC000097037092 185401303 /nfs/dbraw/zinc/40/13/03/185401303.db2.gz GRCOEVKZDQJSBY-GFCCVEGCSA-N 0 0 301.365 3.988 50 0 DHAARN CC(C)CCOC(=O)c1csc(NCc2ccccc2)n1 ZINC000023199358 190648607 /nfs/dbraw/zinc/64/86/07/190648607.db2.gz LNCRSOOODJLNFN-UHFFFAOYSA-N 0 0 304.415 3.958 50 0 DHAARN Cc1cccc2nc(C(=O)N3CCCSc4ccccc43)cn21 ZINC000023228253 190648781 /nfs/dbraw/zinc/64/87/81/190648781.db2.gz FLWDWFIDPKRHHJ-UHFFFAOYSA-N 0 0 323.421 3.785 50 0 DHAARN O=C(NC[C@@H](O)c1ccco1)N(c1ccccc1)c1ccccc1 ZINC000097082773 185407187 /nfs/dbraw/zinc/40/71/87/185407187.db2.gz XOVURBALULEQDW-QGZVFWFLSA-N 0 0 322.364 3.861 50 0 DHAARN COCc1nc(C)cc(N2CCC[C@@]2(C)Cc2ccccc2)n1 ZINC000170596918 197783123 /nfs/dbraw/zinc/78/31/23/197783123.db2.gz KSWSPGDNOMTVCO-IBGZPJMESA-N 0 0 311.429 3.533 50 0 DHAARN CCCCNC(=O)c1ccc2cnn(Cc3ccc(C)cc3)c2c1 ZINC000064664878 190703961 /nfs/dbraw/zinc/70/39/61/190703961.db2.gz VIDMTLSBQTWGQJ-UHFFFAOYSA-N 0 0 321.424 3.923 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)cc1C ZINC000064818472 190705400 /nfs/dbraw/zinc/70/54/00/190705400.db2.gz OCNYBUGTXJVMTF-UHFFFAOYSA-N 0 0 308.385 3.881 50 0 DHAARN COc1cc(-c2ncccc2C(F)(F)F)cc(OC)c1OC ZINC000067515279 190710118 /nfs/dbraw/zinc/71/01/18/190710118.db2.gz LRCICHUFZVIQAO-UHFFFAOYSA-N 0 0 313.275 3.793 50 0 DHAARN CO[C@@H]1CCCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)C1 ZINC000227674507 201803499 /nfs/dbraw/zinc/80/34/99/201803499.db2.gz PXVCTSVKHOQSEU-CRAIPNDOSA-N 0 0 314.429 3.597 50 0 DHAARN Cc1cnn(C[C@@H]2CCCN2C(=O)c2oc3ccccc3c2C)c1 ZINC000070013650 190849463 /nfs/dbraw/zinc/84/94/63/190849463.db2.gz YWRXWZZXLPMNLB-HNNXBMFYSA-N 0 0 323.396 3.551 50 0 DHAARN C[C@@H](NCc1ccccc1F)c1noc(Cc2ccccc2)n1 ZINC000080345923 192150341 /nfs/dbraw/zinc/15/03/41/192150341.db2.gz AJFADADWVLTKTQ-CYBMUJFWSA-N 0 0 311.360 3.650 50 0 DHAARN Cc1ccc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000080344716 192151005 /nfs/dbraw/zinc/15/10/05/192151005.db2.gz MALKJZNCFVSTNE-CVEARBPZSA-N 0 0 323.392 3.817 50 0 DHAARN O=C(CCc1ccccc1)NC[C@H](O)c1cccc2ccccc21 ZINC000070635946 190908563 /nfs/dbraw/zinc/90/85/63/190908563.db2.gz GDNZDBPFULSDLM-FQEVSTJZSA-N 0 0 319.404 3.622 50 0 DHAARN O=C(NCCCn1ncc2c1cccc2Cl)c1ccccc1 ZINC000071196111 190940946 /nfs/dbraw/zinc/94/09/46/190940946.db2.gz XIBUEFJAJWIOLE-UHFFFAOYSA-N 0 0 313.788 3.510 50 0 DHAARN FC(F)(F)CCc1ccnc(N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000071707907 191011748 /nfs/dbraw/zinc/01/17/48/191011748.db2.gz XXSMCMJUPVRYTF-UONOGXRCSA-N 0 0 307.319 3.940 50 0 DHAARN CCN(C(=O)c1ccc(-n2cccc2)nc1)c1cccc(F)c1 ZINC000084524234 192436452 /nfs/dbraw/zinc/43/64/52/192436452.db2.gz XMEPLZAZZBMZNK-UHFFFAOYSA-N 0 0 309.344 3.678 50 0 DHAARN CSCC[C@@H](CO)n1ccnc1-c1ccc(SC)cc1 ZINC000071746918 191020610 /nfs/dbraw/zinc/02/06/10/191020610.db2.gz LLOYJTDBRPATQW-ZDUSSCGKSA-N 0 0 308.472 3.559 50 0 DHAARN Cc1cc(C2CCC2)nc(NCC[C@H]2c3ccccc3NC2=O)n1 ZINC000071748691 191020663 /nfs/dbraw/zinc/02/06/63/191020663.db2.gz TYRPBOAYKNYTSC-HNNXBMFYSA-N 0 0 322.412 3.590 50 0 DHAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)CCCO ZINC000071749490 191022672 /nfs/dbraw/zinc/02/26/72/191022672.db2.gz LNZFOMZZFBDDMV-UHFFFAOYSA-N 0 0 310.397 3.617 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 ZINC000071754933 191024651 /nfs/dbraw/zinc/02/46/51/191024651.db2.gz KCXSOOXJHDEWPL-UHFFFAOYSA-N 0 0 320.751 3.619 50 0 DHAARN Cc1ccsc1-c1nc(CN(C)C[C@@H]2CCCO2)c(C)o1 ZINC000071763330 191027152 /nfs/dbraw/zinc/02/71/52/191027152.db2.gz RCQHXOZRNCPQAF-ZDUSSCGKSA-N 0 0 306.431 3.631 50 0 DHAARN COc1cccc([C@@H](O)[C@H](c2ccccc2)c2ccccn2)c1 ZINC000071767119 191028623 /nfs/dbraw/zinc/02/86/23/191028623.db2.gz JKQIICOUQXAZEI-WOJBJXKFSA-N 0 0 305.377 3.956 50 0 DHAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000072117719 191038850 /nfs/dbraw/zinc/03/88/50/191038850.db2.gz QTQZCTODEFVPTB-LBPRGKRZSA-N 0 0 323.318 3.957 50 0 DHAARN C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnn2c1CCCC2 ZINC000072145708 191051681 /nfs/dbraw/zinc/05/16/81/191051681.db2.gz UTDIOKFKWCFDNT-CYBMUJFWSA-N 0 0 322.412 3.534 50 0 DHAARN COCCNc1cc(-c2ccnc3ccccc32)c2cc[nH]c2n1 ZINC000072144859 191051754 /nfs/dbraw/zinc/05/17/54/191051754.db2.gz ANYSNXVTPOVHCL-UHFFFAOYSA-N 0 0 318.380 3.836 50 0 DHAARN O=C1CC[C@]2(CCCO2)CCN1Cc1ccc2ccccc2c1 ZINC000072158802 191061020 /nfs/dbraw/zinc/06/10/20/191061020.db2.gz LKAWXMFZFQJXHC-HXUWFJFHSA-N 0 0 309.409 3.902 50 0 DHAARN c1csc(-c2ncc(CN3CCC[C@@H]3c3ccccn3)cn2)c1 ZINC000072166424 191064578 /nfs/dbraw/zinc/06/45/78/191064578.db2.gz KYRDNRWGBKRYON-MRXNPFEDSA-N 0 0 322.437 3.937 50 0 DHAARN Cc1nc2cc(-c3cc(NCCO)nc4[nH]ccc43)ccc2s1 ZINC000072165974 191065124 /nfs/dbraw/zinc/06/51/24/191065124.db2.gz ORLVGIUKCZKVDB-UHFFFAOYSA-N 0 0 324.409 3.552 50 0 DHAARN C[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccco1 ZINC000072169266 191068320 /nfs/dbraw/zinc/06/83/20/191068320.db2.gz NRCMRXGSJONBEU-LLVKDONJSA-N 0 0 311.389 3.787 50 0 DHAARN Fc1cccnc1CN1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000072170249 191068678 /nfs/dbraw/zinc/06/86/78/191068678.db2.gz CDGLVIGTKKYUPD-MRXNPFEDSA-N 0 0 324.359 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ZINC000020615793 182239623 /nfs/dbraw/zinc/23/96/23/182239623.db2.gz TZHGJBQNZKJSGW-ZDUSSCGKSA-N 0 0 321.808 3.583 50 0 DHAARN COc1ccc(CN2CN(C(C)(C)C)CSC2=S)cc1 ZINC000020662465 182241780 /nfs/dbraw/zinc/24/17/80/182241780.db2.gz ROFLDIPDQFMTPW-UHFFFAOYSA-N 0 0 310.488 3.544 50 0 DHAARN Fc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000020661920 182242204 /nfs/dbraw/zinc/24/22/04/182242204.db2.gz YFHXBMDXLIOYGG-UHFFFAOYSA-N 0 0 323.306 3.837 50 0 DHAARN O=C(Oc1ccccc1F)C1=C(c2ccccc2)SCCO1 ZINC000020725243 182244238 /nfs/dbraw/zinc/24/42/38/182244238.db2.gz YMZKNKFPORXUHH-UHFFFAOYSA-N 0 0 316.353 3.863 50 0 DHAARN CCOC(=O)c1c(C)oc2ncnc(Nc3cccc(C)c3)c21 ZINC000020575353 182234937 /nfs/dbraw/zinc/23/49/37/182234937.db2.gz YZFZJNQDXXYCHH-UHFFFAOYSA-N 0 0 311.341 3.760 50 0 DHAARN COc1cccc2c(NC(=O)/C=C/c3ccncc3)cc(C)nc12 ZINC000020762278 182246718 /nfs/dbraw/zinc/24/67/18/182246718.db2.gz YTSOCJJRJHTXML-VOTSOKGWSA-N 0 0 319.364 3.599 50 0 biogenic DHAARN O=S(=O)(Oc1ccc(F)cc1Cl)c1cc(F)ccc1F 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ZINC000021471341 182274250 /nfs/dbraw/zinc/27/42/50/182274250.db2.gz BLXRVNRQBATWHB-XBXARRHUSA-N 0 0 304.349 3.743 50 0 DHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccs2)c1 ZINC000021204256 182268873 /nfs/dbraw/zinc/26/88/73/182268873.db2.gz RDRWHGAVKVTXQK-AWEZNQCLSA-N 0 0 317.410 3.743 50 0 DHAARN CC(C)c1nnc(SCc2ccccc2Br)[nH]1 ZINC000021242769 182270295 /nfs/dbraw/zinc/27/02/95/182270295.db2.gz IQMGOEOVVCKHNZ-UHFFFAOYSA-N 0 0 312.236 3.983 50 0 DHAARN CCCC1(CCC)NC(=O)N(Cc2ccc(SC)cc2)C1=O ZINC000021332073 182271961 /nfs/dbraw/zinc/27/19/61/182271961.db2.gz ZIOGAWGQGOQJGQ-UHFFFAOYSA-N 0 0 320.458 3.799 50 0 DHAARN CSc1ccc(CNC(=O)c2ccc3cccc(O)c3n2)cc1 ZINC000021365259 182273026 /nfs/dbraw/zinc/27/30/26/182273026.db2.gz AIIGPRKMCSSZRD-UHFFFAOYSA-N 0 0 324.405 3.592 50 0 DHAARN Cc1cc(C)cc(NC(=O)COc2nc(C)nc3ccccc32)c1 ZINC000021361065 182273085 /nfs/dbraw/zinc/27/30/85/182273085.db2.gz SOUPLIVVRRIUTA-UHFFFAOYSA-N 0 0 321.380 3.573 50 0 DHAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2ccccc2F)no1 ZINC000021719012 182285335 /nfs/dbraw/zinc/28/53/35/182285335.db2.gz WXRHVMGDVZNODN-OAHLLOKOSA-N 0 0 302.349 3.914 50 0 DHAARN CCCc1cc([C@H]2CCCN2Cc2ccc(OC)cc2)no1 ZINC000021720682 182285775 /nfs/dbraw/zinc/28/57/75/182285775.db2.gz JURSEUHGGQUOMB-GOSISDBHSA-N 0 0 300.402 3.973 50 0 DHAARN O=c1c(NCc2cccs2)nccn1-c1ccc(Cl)cc1 ZINC000021536940 182278954 /nfs/dbraw/zinc/27/89/54/182278954.db2.gz CRIKQVWUJBMTCS-UHFFFAOYSA-N 0 0 317.801 3.560 50 0 DHAARN CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)nc1N)c1ccccc1 ZINC000021804883 182291094 /nfs/dbraw/zinc/29/10/94/182291094.db2.gz ALDANCGCHGFPIW-HNNXBMFYSA-N 0 0 324.359 3.500 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC000021806835 182291253 /nfs/dbraw/zinc/29/12/53/182291253.db2.gz HHZZWUHZVFJZHR-UHFFFAOYSA-N 0 0 317.698 3.653 50 0 DHAARN CCc1cc(OS(=O)(=O)c2cccs2)ccc1Cl ZINC000021820560 182293312 /nfs/dbraw/zinc/29/33/12/182293312.db2.gz MCBHKYTWSLFMPL-UHFFFAOYSA-N 0 0 302.804 3.732 50 0 DHAARN COc1cccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c1 ZINC000021869316 182295651 /nfs/dbraw/zinc/29/56/51/182295651.db2.gz HFULYWWNBLTPTD-UHFFFAOYSA-N 0 0 311.381 3.914 50 0 DHAARN CN(C)C(=O)[C@@H]1CCCN1Cc1sc2ccccc2c1Cl ZINC000022014773 182303848 /nfs/dbraw/zinc/30/38/48/182303848.db2.gz WCLVHAYALPEKEG-LBPRGKRZSA-N 0 0 322.861 3.607 50 0 DHAARN Clc1ccc2nc(-c3ccccc3)c(Br)n2n1 ZINC000022115766 182309070 /nfs/dbraw/zinc/30/90/70/182309070.db2.gz HCHKMKGRDUJJEU-UHFFFAOYSA-N 0 0 308.566 3.812 50 0 DHAARN c1cnc2nc(SCCC34CC5CC(CC(C5)C3)C4)nn2c1 ZINC000022133243 182309992 /nfs/dbraw/zinc/30/99/92/182309992.db2.gz CTRZEUASKPAJFW-UHFFFAOYSA-N 0 0 314.458 3.823 50 0 DHAARN O=C(CCn1ccc2ccccc21)N1CCc2sccc2C1 ZINC000022285501 182316305 /nfs/dbraw/zinc/31/63/05/182316305.db2.gz PEAUUYIWVYLTNY-UHFFFAOYSA-N 0 0 310.422 3.678 50 0 DHAARN CCN(C(=O)c1cc2c(C)nn(C)c2s1)C1CCCCC1 ZINC000022534165 182325698 /nfs/dbraw/zinc/32/56/98/182325698.db2.gz FXGJSMTZSGMJFN-UHFFFAOYSA-N 0 0 305.447 3.738 50 0 DHAARN Cc1ccc(Nc2cccc3cccc(S(N)(=O)=O)c32)cc1 ZINC000022590709 182327117 /nfs/dbraw/zinc/32/71/17/182327117.db2.gz QMOBQPKJHYAHQJ-UHFFFAOYSA-N 0 0 312.394 3.539 50 0 DHAARN CC[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000022618805 182328589 /nfs/dbraw/zinc/32/85/89/182328589.db2.gz XDIYQSQQZSDWJB-LLVKDONJSA-N 0 0 306.793 3.842 50 0 DHAARN Cc1noc(-c2ccco2)c1C(=O)NCCCCc1ccccc1 ZINC000022623844 182328732 /nfs/dbraw/zinc/32/87/32/182328732.db2.gz FYSAJJQXCQLKBM-UHFFFAOYSA-N 0 0 324.380 3.996 50 0 DHAARN Cc1cccc(-c2cc(C(=O)NCc3ccccc3C)no2)c1 ZINC000022627468 182329136 /nfs/dbraw/zinc/32/91/36/182329136.db2.gz ZBASZSWZZWLQDD-UHFFFAOYSA-N 0 0 306.365 3.888 50 0 DHAARN Cc1cccc(CNC(=O)c2cc(-c3cccc(C)c3)on2)c1 ZINC000022626490 182329442 /nfs/dbraw/zinc/32/94/42/182329442.db2.gz GRHIPZUYNWDZAR-UHFFFAOYSA-N 0 0 306.365 3.888 50 0 DHAARN O=C(Cc1cccs1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000022673053 182330126 /nfs/dbraw/zinc/33/01/26/182330126.db2.gz VJKIVQAVTAZPMV-UHFFFAOYSA-N 0 0 312.419 3.957 50 0 DHAARN Cc1cn2nc(N3CCC(Cc4ccccc4)CC3)sc2n1 ZINC000022976878 182343811 /nfs/dbraw/zinc/34/38/11/182343811.db2.gz MPXWKTUEQINLTE-UHFFFAOYSA-N 0 0 312.442 3.558 50 0 DHAARN CCc1nnc(COC(=O)c2c(C)c(C)c(C)c(C)c2C)o1 ZINC000022987728 182344178 /nfs/dbraw/zinc/34/41/78/182344178.db2.gz CYYDWPQHMOSRHZ-UHFFFAOYSA-N 0 0 302.374 3.531 50 0 DHAARN O=C(COc1ccc2ccccc2c1)NCCc1ccccc1F ZINC000023149613 182351615 /nfs/dbraw/zinc/35/16/15/182351615.db2.gz OLQAIMQFEQUOQF-UHFFFAOYSA-N 0 0 323.367 3.717 50 0 DHAARN Cc1ccc(-c2c[nH]c([C@H]3CC(=O)N(CC(C)C)C3)n2)c(C)c1 ZINC000023153402 182351943 /nfs/dbraw/zinc/35/19/43/182351943.db2.gz YLYMPSFQZKWLEX-HNNXBMFYSA-N 0 0 311.429 3.665 50 0 DHAARN COc1cccc(CN(C)C(=O)c2ccc(C)c(C)c2)c1OC ZINC000023057886 182346027 /nfs/dbraw/zinc/34/60/27/182346027.db2.gz XLOPEKOBPBBTGB-UHFFFAOYSA-N 0 0 313.397 3.593 50 0 DHAARN CCSc1nnc(SCc2cn3cccc(C)c3n2)s1 ZINC000023055230 182346035 /nfs/dbraw/zinc/34/60/35/182346035.db2.gz NYODMORJIZWZDS-UHFFFAOYSA-N 0 0 322.484 3.899 50 0 DHAARN c1ccc(CNc2nc(-c3ccncc3)nc3ccccc32)nc1 ZINC000023078932 182346580 /nfs/dbraw/zinc/34/65/80/182346580.db2.gz HRRRLQYONLOQSH-UHFFFAOYSA-N 0 0 313.364 3.699 50 0 DHAARN O=C(CCOc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 ZINC000023114096 182347299 /nfs/dbraw/zinc/34/72/99/182347299.db2.gz IYWKMYITHYPKQE-GOSISDBHSA-N 0 0 313.372 3.788 50 0 DHAARN Cc1c[nH]nc1[C@@H]1CCCN(Cc2c(F)ccc(F)c2F)C1 ZINC000023128417 182349802 /nfs/dbraw/zinc/34/98/02/182349802.db2.gz MFPMCDHLZZNIHI-LLVKDONJSA-N 0 0 309.335 3.515 50 0 DHAARN COCc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000023387322 182359219 /nfs/dbraw/zinc/35/92/19/182359219.db2.gz IOJZGVDZNFQTQR-ZIAGYGMSSA-N 0 0 315.335 3.684 50 0 DHAARN Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000023384066 182359402 /nfs/dbraw/zinc/35/94/02/182359402.db2.gz KEBDAEJFGHPFBW-IBGZPJMESA-N 0 0 309.409 3.581 50 0 DHAARN C[C@@H](NC(=O)CCc1ccccc1O)c1ccccc1Cl ZINC000023482355 182362261 /nfs/dbraw/zinc/36/22/61/182362261.db2.gz FVIDCMIASUUDPK-GFCCVEGCSA-N 0 0 303.789 3.856 50 0 DHAARN c1nn(-c2ccccc2)cc1CNCc1nc2ccccc2s1 ZINC000024082691 182374883 /nfs/dbraw/zinc/37/48/83/182374883.db2.gz KNYBXOFJTDGMEH-UHFFFAOYSA-N 0 0 320.421 3.772 50 0 DHAARN Cc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(O)c1 ZINC000024152028 182376072 /nfs/dbraw/zinc/37/60/72/182376072.db2.gz CFBHWOYNMFGPNE-UHFFFAOYSA-N 0 0 311.168 3.842 50 0 DHAARN O=C(CCc1nc2ccccc2o1)OCc1ccc(Cl)nc1 ZINC000024050967 182373765 /nfs/dbraw/zinc/37/37/65/182373765.db2.gz KDTXIXOKCPODBH-UHFFFAOYSA-N 0 0 316.744 3.552 50 0 DHAARN Cc1ccc2c(COc3ccc(F)cc3F)cc(=O)oc2c1 ZINC000024048222 182373948 /nfs/dbraw/zinc/37/39/48/182373948.db2.gz DTDYMXOMAVVILW-UHFFFAOYSA-N 0 0 302.276 3.959 50 0 DHAARN Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 ZINC000024070129 182374144 /nfs/dbraw/zinc/37/41/44/182374144.db2.gz LAPNNXRKZPVCEQ-UHFFFAOYSA-N 0 0 319.810 3.958 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)NCc1ccccc1F ZINC000024836302 182392081 /nfs/dbraw/zinc/39/20/81/182392081.db2.gz ZIOGJSYZVNQQSQ-AWEZNQCLSA-N 0 0 300.377 3.646 50 0 DHAARN Cc1ccc(C(=O)C2CCN(C(=O)c3ccoc3)CC2)c(C)c1 ZINC000024455068 182381023 /nfs/dbraw/zinc/38/10/23/182381023.db2.gz PVSSVVVCOWALQM-UHFFFAOYSA-N 0 0 311.381 3.632 50 0 DHAARN CSc1ncccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000024833587 182392273 /nfs/dbraw/zinc/39/22/73/182392273.db2.gz MQARUBSEKCRRSB-ZJUUUORDSA-N 0 0 318.364 3.654 50 0 DHAARN O=C(C[C@@H]1C=CCC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000024720173 182388798 /nfs/dbraw/zinc/38/87/98/182388798.db2.gz MKECKHAWRKIGLO-CQSZACIVSA-N 0 0 324.380 3.504 50 0 DHAARN O=C(C[C@H]1C=CCC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000024720171 182388895 /nfs/dbraw/zinc/38/88/95/182388895.db2.gz MKECKHAWRKIGLO-AWEZNQCLSA-N 0 0 324.380 3.504 50 0 DHAARN Cc1c2ccccc2oc1C(=O)Nc1cccnc1-n1cccn1 ZINC000025010847 182399028 /nfs/dbraw/zinc/39/90/28/182399028.db2.gz CFPMLBAFLBHRLM-UHFFFAOYSA-N 0 0 318.336 3.574 50 0 DHAARN CC(=O)NCc1ccc(-c2csc(-c3ccco3)n2)s1 ZINC000025204685 182404259 /nfs/dbraw/zinc/40/42/59/182404259.db2.gz GBGPOQLVXMYMDE-UHFFFAOYSA-N 0 0 304.396 3.768 50 0 DHAARN C[C@@H]1CCCC[C@@H]1N=C1NN=C(c2ccc(F)cc2)CS1 ZINC000024841549 182392822 /nfs/dbraw/zinc/39/28/22/182392822.db2.gz MSAYIKIXUIWWJA-RISCZKNCSA-N 0 0 305.422 3.801 50 0 DHAARN Cc1cc(COc2cc3oc(=O)cc(C)c3cc2Cl)on1 ZINC000025402613 182413185 /nfs/dbraw/zinc/41/31/85/182413185.db2.gz TVVYGQCGTIIUQO-UHFFFAOYSA-N 0 0 305.717 3.630 50 0 DHAARN CC(C)C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000025273097 182406926 /nfs/dbraw/zinc/40/69/26/182406926.db2.gz NZAUIGWTWZFMAW-UHFFFAOYSA-N 0 0 323.392 3.649 50 0 DHAARN Cc1ccccc1CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000025887162 182424511 /nfs/dbraw/zinc/42/45/11/182424511.db2.gz NIFAFTJYMDEIKC-UHFFFAOYSA-N 0 0 311.425 3.684 50 0 DHAARN CCOc1cc2c(cc1OC)nc(-c1ccccc1C)oc2=O ZINC000025605483 182417888 /nfs/dbraw/zinc/41/78/88/182417888.db2.gz FZYYGEYIZXIZED-UHFFFAOYSA-N 0 0 311.337 3.571 50 0 DHAARN C[C@H](NC(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000026399648 182439874 /nfs/dbraw/zinc/43/98/74/182439874.db2.gz GTJZMZFVHYAQPH-YJBOKZPZSA-N 0 0 324.424 3.643 50 0 DHAARN CCCOc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 ZINC000027663661 182486608 /nfs/dbraw/zinc/48/66/08/182486608.db2.gz JKHLQMPACBRCQQ-UHFFFAOYSA-N 0 0 318.398 3.695 50 0 DHAARN C[C@@H]1CCc2noc(NC(=O)Cc3ccc(Cl)cc3)c2C1 ZINC000027794709 182491868 /nfs/dbraw/zinc/49/18/68/182491868.db2.gz SSSMCEXILUNMRE-SNVBAGLBSA-N 0 0 304.777 3.634 50 0 DHAARN CC[C@H](C(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000027837213 182492620 /nfs/dbraw/zinc/49/26/20/182492620.db2.gz SQUGVPLRLRZKIQ-PXNSSMCTSA-N 0 0 322.452 3.823 50 0 DHAARN O=C(NCCCC1CCCCC1)c1cc2ccccc2c(=O)[nH]1 ZINC000029227595 182556780 /nfs/dbraw/zinc/55/67/80/182556780.db2.gz VYZYHARCHYVQRP-UHFFFAOYSA-N 0 0 312.413 3.618 50 0 DHAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)/C=C/c2cccs2)c1 ZINC000030278819 182587276 /nfs/dbraw/zinc/58/72/76/182587276.db2.gz YQEMGVVRCAQHKU-IDVQTMNDSA-N 0 0 314.410 3.597 50 0 DHAARN Cn1ccnc1[C@H](NCc1ccccc1F)c1cccc(F)c1 ZINC000030645438 182593953 /nfs/dbraw/zinc/59/39/53/182593953.db2.gz AOFACENGHHXGBX-QGZVFWFLSA-N 0 0 313.351 3.578 50 0 DHAARN O=C(NCCSCc1ccco1)c1cc2ccccc2o1 ZINC000031252341 182610472 /nfs/dbraw/zinc/61/04/72/182610472.db2.gz DVLOSNDRPBEPOG-UHFFFAOYSA-N 0 0 301.367 3.689 50 0 DHAARN C[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(F)cc1F ZINC000032696853 182655691 /nfs/dbraw/zinc/65/56/91/182655691.db2.gz DWHQIWGZVWZORD-CHWSQXEVSA-N 0 0 319.351 3.747 50 0 DHAARN C[C@H](NC(=O)c1ccc2nccnc2c1)c1cc2ccccc2o1 ZINC000032740942 182657728 /nfs/dbraw/zinc/65/77/28/182657728.db2.gz OJVQKQHFPZVZTN-LBPRGKRZSA-N 0 0 317.348 3.867 50 0 DHAARN COc1ccc([C@H](NC(=O)c2ccnc(Cl)c2)C2CC2)cc1 ZINC000032848508 182670878 /nfs/dbraw/zinc/67/08/78/182670878.db2.gz SFPPVIRVUCIVCI-MRXNPFEDSA-N 0 0 316.788 3.625 50 0 DHAARN CCCCN(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000032907719 182677519 /nfs/dbraw/zinc/67/75/19/182677519.db2.gz IVHYXZUZXSDMAN-UHFFFAOYSA-N 0 0 310.397 3.811 50 0 DHAARN Cc1ccc2oc3nn(-c4ccc(F)cc4F)c(=O)c-3cc2c1 ZINC000033020938 182689319 /nfs/dbraw/zinc/68/93/19/182689319.db2.gz RGFKWROGTINEAX-UHFFFAOYSA-N 0 0 312.275 3.670 50 0 DHAARN CC(C)CC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000032924669 182681260 /nfs/dbraw/zinc/68/12/60/182681260.db2.gz GBASHSSCMKNSFP-HNNXBMFYSA-N 0 0 312.413 3.884 50 0 DHAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NC(C)C ZINC000033059920 182690896 /nfs/dbraw/zinc/69/08/96/182690896.db2.gz NQQRYHKDRYUFRV-UHFFFAOYSA-N 0 0 313.426 3.842 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(N(C)C2CCCCC2)n1 ZINC000033267275 182698748 /nfs/dbraw/zinc/69/87/48/182698748.db2.gz SJQTXGAASNMKMT-UHFFFAOYSA-N 0 0 313.401 3.575 50 0 DHAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cccc(F)c2)on1 ZINC000033270026 182699251 /nfs/dbraw/zinc/69/92/51/182699251.db2.gz VIKFFPXLFZMUOL-OAHLLOKOSA-N 0 0 302.349 3.914 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@H]2c2cc(C(C)C)no2)on1 ZINC000033270001 182699398 /nfs/dbraw/zinc/69/93/98/182699398.db2.gz RGYHYHVKPNKYTH-AWEZNQCLSA-N 0 0 317.389 3.887 50 0 DHAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccc(F)cc1)c3=O ZINC000033088852 182692147 /nfs/dbraw/zinc/69/21/47/182692147.db2.gz HLIMQIZONRRGNS-LLVKDONJSA-N 0 0 322.339 3.510 50 0 DHAARN O=C(/C=C\c1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000033316479 182703332 /nfs/dbraw/zinc/70/33/32/182703332.db2.gz WJMAZTUOVFWRJI-YHYXMXQVSA-N 0 0 303.764 3.851 50 0 DHAARN CCc1ccc([C@H](C)Nc2ccccc2S(C)(=O)=O)cc1 ZINC000035046749 182748845 /nfs/dbraw/zinc/74/88/45/182748845.db2.gz XOQOSPQFVADGIS-ZDUSSCGKSA-N 0 0 303.427 3.826 50 0 DHAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C2CC2)cc1 ZINC000034912899 182743472 /nfs/dbraw/zinc/74/34/72/182743472.db2.gz BPWSPICSLLFHEW-UHFFFAOYSA-N 0 0 305.381 3.967 50 0 DHAARN Cc1cc(C)n(Cc2ccc(F)c(F)c2)c1C(=O)NCC(C)C ZINC000035836984 182789412 /nfs/dbraw/zinc/78/94/12/182789412.db2.gz CDERZIVYSSQZCT-UHFFFAOYSA-N 0 0 320.383 3.817 50 0 DHAARN CCN(Cc1cc(-c2ccccc2OC)on1)C(=O)CC(C)C ZINC000036012488 182792449 /nfs/dbraw/zinc/79/24/49/182792449.db2.gz DNKRVKNKFZKIOE-UHFFFAOYSA-N 0 0 316.401 3.745 50 0 DHAARN CCOC(=O)c1nc2ccccc2nc1N[C@H](C)c1ccccc1 ZINC000035479368 182778001 /nfs/dbraw/zinc/77/80/01/182778001.db2.gz GFGZQEUNIPGZNF-CYBMUJFWSA-N 0 0 321.380 3.980 50 0 DHAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)N1CCCCC1 ZINC000035536163 182779336 /nfs/dbraw/zinc/77/93/36/182779336.db2.gz ZZFIAZMCFUYCRK-UHFFFAOYSA-N 0 0 306.312 3.554 50 0 DHAARN Cc1ccc(SCC(=O)Nc2nnc(C(C)C)o2)c(C)c1 ZINC000036832364 182846510 /nfs/dbraw/zinc/84/65/10/182846510.db2.gz CIWSAWXBFYUZLE-UHFFFAOYSA-N 0 0 305.403 3.541 50 0 DHAARN O=C(Cn1ccc2ccccc21)Nc1cccc2ncccc21 ZINC000038488643 182999665 /nfs/dbraw/zinc/99/96/65/182999665.db2.gz SBTMFVRUVSJUGR-UHFFFAOYSA-N 0 0 301.349 3.828 50 0 DHAARN COc1cccc(NC(=O)N[C@@H](C)Cc2cccs2)c1OC ZINC000038489508 183000522 /nfs/dbraw/zinc/00/05/22/183000522.db2.gz OLXXIMIRERCVDL-NSHDSACASA-N 0 0 320.414 3.518 50 0 DHAARN CCOC(=O)c1cnc2cc(Br)ccc2c1Cl ZINC000038843292 183011113 /nfs/dbraw/zinc/01/11/13/183011113.db2.gz NYXULZOUQJAFCL-UHFFFAOYSA-N 0 0 314.566 3.827 50 0 DHAARN FC(F)(F)c1cnc(NCCCOCC2CC2)c(Cl)c1 ZINC000039982748 183026530 /nfs/dbraw/zinc/02/65/30/183026530.db2.gz ZYMBCQVEJRTJHF-UHFFFAOYSA-N 0 0 308.731 3.982 50 0 DHAARN CC(=O)c1cccc(N[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000040005407 183027554 /nfs/dbraw/zinc/02/75/54/183027554.db2.gz RPQBOKGMJFXCFG-HUUCEWRRSA-N 0 0 324.424 3.610 50 0 DHAARN CCOc1ccc([C@@H]2CCCN2Cc2nnsc2Cl)cc1 ZINC000040009494 183027625 /nfs/dbraw/zinc/02/76/25/183027625.db2.gz DVIHFEWNNZDLRV-AWEZNQCLSA-N 0 0 323.849 3.927 50 0 DHAARN Cc1nc2ccc(NCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2s1 ZINC000040012029 183027703 /nfs/dbraw/zinc/02/77/03/183027703.db2.gz XFJFBNSAVPHXIW-TXEJJXNPSA-N 0 0 317.458 3.806 50 0 DHAARN Cc1ccc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000040068581 183030506 /nfs/dbraw/zinc/03/05/06/183030506.db2.gz MQYBYZPAEXFCKP-UHFFFAOYSA-N 0 0 311.406 3.855 50 0 DHAARN Cc1cc(C(F)(F)F)nn1-c1cccc(Br)c1 ZINC000039175273 183014826 /nfs/dbraw/zinc/01/48/26/183014826.db2.gz XECLHFHMHXWCQO-UHFFFAOYSA-N 0 0 305.097 3.962 50 0 DHAARN CC1=CC[C@@](C[C@H]2CCCO2)(S(=O)(=O)c2ccccc2)CC1 ZINC000039247188 183015881 /nfs/dbraw/zinc/01/58/81/183015881.db2.gz YYRWTVNJWGKNPB-SJLPKXTDSA-N 0 0 320.454 3.898 50 0 DHAARN O=C(COc1ccc2ccccc2c1)Nc1cccc2c[nH]nc21 ZINC000039551606 183020617 /nfs/dbraw/zinc/02/06/17/183020617.db2.gz IDCVGMZJHIEGSP-UHFFFAOYSA-N 0 0 317.348 3.734 50 0 DHAARN CCOc1ccccc1CCC(=O)N(C)Cc1cccs1 ZINC000039977625 183026392 /nfs/dbraw/zinc/02/63/92/183026392.db2.gz PQYJAXGBLWFWKN-UHFFFAOYSA-N 0 0 303.427 3.738 50 0 DHAARN CCCCOc1ccc(C(=O)NC[C@H]2Cc3ccccc32)cc1 ZINC000040148968 183040004 /nfs/dbraw/zinc/04/00/04/183040004.db2.gz GJOJQSHZYTVDLI-QGZVFWFLSA-N 0 0 309.409 3.935 50 0 DHAARN Cc1cccc(Oc2ccccc2NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000040160313 183041198 /nfs/dbraw/zinc/04/11/98/183041198.db2.gz KOUFFPVRXQKTQB-UHFFFAOYSA-N 0 0 320.348 3.728 50 0 DHAARN Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)o1 ZINC000040159491 183041359 /nfs/dbraw/zinc/04/13/59/183041359.db2.gz WVKHQYDNTJFWBE-CYBMUJFWSA-N 0 0 321.804 3.976 50 0 DHAARN COc1ccc(CN(C)Cc2ccccc2Cl)cc1OC ZINC000040161832 183041853 /nfs/dbraw/zinc/04/18/53/183041853.db2.gz SAGAQVXAMDRNKU-UHFFFAOYSA-N 0 0 305.805 3.989 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000040074788 183031436 /nfs/dbraw/zinc/03/14/36/183031436.db2.gz NJAYROVUADOBIT-SNVBAGLBSA-N 0 0 312.797 3.500 50 0 DHAARN C[C@H](NC(=O)C1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000040074325 183031523 /nfs/dbraw/zinc/03/15/23/183031523.db2.gz ZOHJMSMWGIHKLJ-JTQLQIEISA-N 0 0 301.308 3.953 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000040093939 183033396 /nfs/dbraw/zinc/03/33/96/183033396.db2.gz PEGSBRQLYRIQBZ-UHFFFAOYSA-N 0 0 317.370 3.674 50 0 DHAARN COc1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1OC ZINC000040097633 183034145 /nfs/dbraw/zinc/03/41/45/183034145.db2.gz HVINIDMEOGGTTR-ZDUSSCGKSA-N 0 0 314.385 3.629 50 0 DHAARN COCc1ccccc1CNC(=O)Nc1ccccc1Cl ZINC000040095592 183034370 /nfs/dbraw/zinc/03/43/70/183034370.db2.gz YOTOALUTJZGORZ-UHFFFAOYSA-N 0 0 304.777 3.808 50 0 DHAARN O=C(CCOc1ccc(F)c(Cl)c1)NCc1cccs1 ZINC000040106466 183035577 /nfs/dbraw/zinc/03/55/77/183035577.db2.gz WFULUUJJYZNCNL-UHFFFAOYSA-N 0 0 313.781 3.626 50 0 DHAARN O=C(/C=C/c1ccco1)NCc1ccnc(Oc2ccccc2)c1 ZINC000040106864 183035734 /nfs/dbraw/zinc/03/57/34/183035734.db2.gz WISDQOJYCJBZLD-CMDGGOBGSA-N 0 0 320.348 3.797 50 0 DHAARN Cc1ncsc1C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000040107459 183036104 /nfs/dbraw/zinc/03/61/04/183036104.db2.gz UKGORCVFUDSUIF-QMTHXVAHSA-N 0 0 316.426 3.973 50 0 DHAARN O=C(Nc1nc(-c2ccco2)cs1)c1cc(F)cc(F)c1 ZINC000040111445 183036947 /nfs/dbraw/zinc/03/69/47/183036947.db2.gz PCVMBADZUNURBE-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN CCc1ccc([C@H](C)NC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000040130313 183038298 /nfs/dbraw/zinc/03/82/98/183038298.db2.gz YXFIHSQNHIRMDS-ZDUSSCGKSA-N 0 0 321.380 3.790 50 0 DHAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC(C)C)c12 ZINC000040127975 183038480 /nfs/dbraw/zinc/03/84/80/183038480.db2.gz JDIMBEQQQMBIDT-UHFFFAOYSA-N 0 0 314.433 3.510 50 0 DHAARN Cc1nnc(NC(=O)c2ccccc2N(C)c2ccccc2)s1 ZINC000040129276 183038500 /nfs/dbraw/zinc/03/85/00/183038500.db2.gz QYLUFFVWYWRQKB-UHFFFAOYSA-N 0 0 324.409 3.867 50 0 DHAARN Cc1c(C(=O)N[C@@H](C)c2cccc(F)c2)oc2c1C(=O)CCC2 ZINC000040130083 183038717 /nfs/dbraw/zinc/03/87/17/183038717.db2.gz UVRPOILXXJTJPI-NSHDSACASA-N 0 0 315.344 3.737 50 0 DHAARN CCCc1nnc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000040141362 183039287 /nfs/dbraw/zinc/03/92/87/183039287.db2.gz WZKULMMIXMFADF-IUCAKERBSA-N 0 0 321.368 3.798 50 0 DHAARN C[C@H](NC(=O)COCc1ccccc1Cl)c1ccc(F)cc1 ZINC000040140807 183039555 /nfs/dbraw/zinc/03/95/55/183039555.db2.gz SSGRUWIVHRRRPM-LBPRGKRZSA-N 0 0 321.779 3.873 50 0 DHAARN Fc1cc(-c2nn3c(nnc3-c3ccco3)s2)cc(F)c1F ZINC000040284524 183050751 /nfs/dbraw/zinc/05/07/51/183050751.db2.gz ODHFAOXYJLEKJQ-UHFFFAOYSA-N 0 0 322.271 3.530 50 0 DHAARN Cc1nn2c(ncc3c2ccn(C(C)C)c3=O)c1-c1ccccc1 ZINC000040387969 183060065 /nfs/dbraw/zinc/06/00/65/183060065.db2.gz HCDWEWOWCZKGAK-UHFFFAOYSA-N 0 0 318.380 3.601 50 0 DHAARN CC(C)(C)OC(=O)N1CC(C2CC(=CBr)C2)C1 ZINC000040449995 183068566 /nfs/dbraw/zinc/06/85/66/183068566.db2.gz BOMUMBHUFIQUDC-UHFFFAOYSA-N 0 0 302.212 3.542 50 0 DHAARN Fc1ccccc1-c1nnc2sc(/C=C/c3cccnc3)nn21 ZINC000040267453 183049903 /nfs/dbraw/zinc/04/99/03/183049903.db2.gz NZJUNKYFUXQBGB-BQYQJAHWSA-N 0 0 323.356 3.557 50 0 DHAARN COc1cccc(C(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)c1 ZINC000040268322 183050132 /nfs/dbraw/zinc/05/01/32/183050132.db2.gz SKNQGIRBHSLWJW-UHFFFAOYSA-N 0 0 309.369 3.947 50 0 DHAARN Cn1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000040472961 183074100 /nfs/dbraw/zinc/07/41/00/183074100.db2.gz YAMRCNKBPRJRPH-LLVKDONJSA-N 0 0 310.319 3.593 50 0 DHAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1nccs1 ZINC000040512974 183088255 /nfs/dbraw/zinc/08/82/55/183088255.db2.gz DFRLVJMEMTYTFC-JTQLQIEISA-N 0 0 310.806 3.535 50 0 DHAARN CCOc1ccccc1NC(=O)CCCc1nc(C(C)C)no1 ZINC000040515696 183088889 /nfs/dbraw/zinc/08/88/89/183088889.db2.gz LCZABFSYMXQZER-UHFFFAOYSA-N 0 0 317.389 3.553 50 0 DHAARN Cn1ccnc1CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000040536372 183095423 /nfs/dbraw/zinc/09/54/23/183095423.db2.gz OGOHOAYKVOIHLZ-UHFFFAOYSA-N 0 0 324.211 3.532 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(=O)c2ccccc2o1 ZINC000040457554 183068803 /nfs/dbraw/zinc/06/88/03/183068803.db2.gz YFLIGNXEWOBGOW-UHFFFAOYSA-N 0 0 319.360 3.694 50 0 DHAARN Clc1ccc2c(c1)C=C(c1nnc(-c3cccnc3)o1)CO2 ZINC000040456279 183068985 /nfs/dbraw/zinc/06/89/85/183068985.db2.gz SKRWQQJMYZQHNA-UHFFFAOYSA-N 0 0 311.728 3.718 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)c3ccc(C)nc3)c2)oc1C ZINC000040555765 183101582 /nfs/dbraw/zinc/10/15/82/183101582.db2.gz SSJBEVXMBZHUNK-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN Nc1cc(C(F)(F)F)c(Cl)cc1I ZINC000040564517 183103127 /nfs/dbraw/zinc/10/31/27/183103127.db2.gz UIAJGKPIEJXINZ-UHFFFAOYSA-N 0 0 321.467 3.546 50 0 DHAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2sccc2n1C ZINC000040786264 183133797 /nfs/dbraw/zinc/13/37/97/183133797.db2.gz AWPGBWPKHBMDER-UHFFFAOYSA-N 0 0 316.430 3.886 50 0 DHAARN C[C@@H](CNC(=O)c1ccc(F)cc1)Oc1ccc(Cl)cc1 ZINC000041155688 183178853 /nfs/dbraw/zinc/17/88/53/183178853.db2.gz DXMWJNFMGVPNTI-NSHDSACASA-N 0 0 307.752 3.676 50 0 DHAARN CCCc1noc([C@H]2CCCCN2C(=O)C2CCCCC2)n1 ZINC000041122792 183168143 /nfs/dbraw/zinc/16/81/43/183168143.db2.gz BDOOQVIYZKAWJB-CQSZACIVSA-N 0 0 305.422 3.656 50 0 DHAARN Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1ccccc1 ZINC000041454049 183192095 /nfs/dbraw/zinc/19/20/95/183192095.db2.gz SRXAGEBMQBAQSU-UHFFFAOYSA-N 0 0 313.307 3.711 50 0 DHAARN Cc1occc1-c1nnc(Sc2cnc3ccccc3n2)o1 ZINC000041872890 183223359 /nfs/dbraw/zinc/22/33/59/183223359.db2.gz FOEDTCKUSDBDGV-UHFFFAOYSA-N 0 0 310.338 3.732 50 0 DHAARN Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)no1 ZINC000041894330 183224266 /nfs/dbraw/zinc/22/42/66/183224266.db2.gz ISNUNCPNPMVBEO-QMTHXVAHSA-N 0 0 300.358 3.504 50 0 DHAARN Cn1ccnc1[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000042203559 183241927 /nfs/dbraw/zinc/24/19/27/183241927.db2.gz KVBLZFWGUABOLK-QGZVFWFLSA-N 0 0 313.351 3.578 50 0 DHAARN CC(C)=C[C@@H]1[C@@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)C1(C)C ZINC000042887300 183316484 /nfs/dbraw/zinc/31/64/84/183316484.db2.gz BYQDQLKEODSFHT-PBHICJAKSA-N 0 0 313.397 3.715 50 0 DHAARN O=C(NCc1ccsc1)c1ccc(OC(F)(F)F)cc1 ZINC000042938067 183320158 /nfs/dbraw/zinc/32/01/58/183320158.db2.gz FYBXUWUXMHAEEZ-UHFFFAOYSA-N 0 0 301.289 3.577 50 0 DHAARN O=C(NC1CCCCCC1)N(Cc1cccc(O)c1)C1CC1 ZINC000042996034 183326143 /nfs/dbraw/zinc/32/61/43/183326143.db2.gz CRVPOYWBNURADK-UHFFFAOYSA-N 0 0 302.418 3.789 50 0 DHAARN CN(CC1CCOCC1)c1ncc(C(F)(F)F)cc1Cl ZINC000042783544 183309362 /nfs/dbraw/zinc/30/93/62/183309362.db2.gz MPROCLVEFOAPRU-UHFFFAOYSA-N 0 0 308.731 3.617 50 0 DHAARN O=C(NCc1cccs1)N1CCCCC[C@@H]1c1ccncc1 ZINC000042838652 183312596 /nfs/dbraw/zinc/31/25/96/183312596.db2.gz MVINYACLAIGDLR-MRXNPFEDSA-N 0 0 315.442 3.970 50 0 DHAARN O=C(c1ccc(C2OCCO2)cc1)c1ccc(Cl)cc1F ZINC000043212679 183344954 /nfs/dbraw/zinc/34/49/54/183344954.db2.gz WCSDZHCWTBBEQV-UHFFFAOYSA-N 0 0 306.720 3.756 50 0 DHAARN CSc1ccc(C(=O)c2cccc(C3OCCO3)c2)cc1 ZINC000043212535 183345197 /nfs/dbraw/zinc/34/51/97/183345197.db2.gz TYRMRSRSJRMBRV-UHFFFAOYSA-N 0 0 300.379 3.685 50 0 DHAARN CCn1ccnc1SCc1nc2cc(Cl)ccc2n1C ZINC000043243079 183347378 /nfs/dbraw/zinc/34/73/78/183347378.db2.gz UIIUUSSXUPLGIH-UHFFFAOYSA-N 0 0 306.822 3.735 50 0 DHAARN C[C@H](c1ncnc(Cl)c1F)[C@](C)(O)c1ccc(F)cc1F ZINC000044460319 183411595 /nfs/dbraw/zinc/41/15/95/183411595.db2.gz WGWRADFMZDPUIH-UOWDBTKRSA-N 0 0 316.710 3.559 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccccc2-c2cccs2)CCO1 ZINC000043910656 183389115 /nfs/dbraw/zinc/38/91/15/183389115.db2.gz VQBAZOAOCZASLN-GFCCVEGCSA-N 0 0 302.399 3.668 50 0 DHAARN COc1ccc(Cl)cc1NCc1nc(-c2ccco2)no1 ZINC000044070356 183393832 /nfs/dbraw/zinc/39/38/32/183393832.db2.gz UJJLENJJJZQJML-UHFFFAOYSA-N 0 0 305.721 3.604 50 0 DHAARN CC(C)CC[C@@H](C)NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103393 183394830 /nfs/dbraw/zinc/39/48/30/183394830.db2.gz RYRLAORRVDIOMY-CYBMUJFWSA-N 0 0 317.433 3.981 50 0 DHAARN CC(C)CC[C@H](C)NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103397 183395086 /nfs/dbraw/zinc/39/50/86/183395086.db2.gz RYRLAORRVDIOMY-ZDUSSCGKSA-N 0 0 317.433 3.981 50 0 DHAARN 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ZINC000064871377 184305351 /nfs/dbraw/zinc/30/53/51/184305351.db2.gz DCJLZGFNFCUMIH-UHFFFAOYSA-N 0 0 321.384 3.726 50 0 DHAARN O[C@H](Cn1c2ccccc2nc1[C@H]1CCCO1)c1ccccc1 ZINC000065005827 184308514 /nfs/dbraw/zinc/30/85/14/184308514.db2.gz PUEOZVNZXIRZHP-QZTJIDSGSA-N 0 0 308.381 3.621 50 0 DHAARN COC(=O)c1cc(OCc2ccccc2C)c2ccccc2n1 ZINC000065033050 184309062 /nfs/dbraw/zinc/30/90/62/184309062.db2.gz LGHDRWBYFJJVKW-UHFFFAOYSA-N 0 0 307.349 3.909 50 0 DHAARN CCNC(=O)C1(c2ccc(NC(=O)C(C)C)cc2)CCCCC1 ZINC000065027406 184309072 /nfs/dbraw/zinc/30/90/72/184309072.db2.gz SFGKRNORVZWQRG-UHFFFAOYSA-N 0 0 316.445 3.619 50 0 DHAARN CCC(=O)N1CCC[C@@H](c2ccnc(Nc3ccccc3C)n2)C1 ZINC000065148212 184311411 /nfs/dbraw/zinc/31/14/11/184311411.db2.gz IYOINHBSVHVWHO-OAHLLOKOSA-N 0 0 324.428 3.645 50 0 DHAARN CC(C)n1c2ccc(-c3noc(-c4ccccc4)n3)cc2oc1=O ZINC000065138351 184311712 /nfs/dbraw/zinc/31/17/12/184311712.db2.gz RIELVZZCAOHUES-UHFFFAOYSA-N 0 0 321.336 3.892 50 0 DHAARN O=C(NCc1cccs1)c1cc(-c2ccccc2)ns1 ZINC000065233050 184316680 /nfs/dbraw/zinc/31/66/80/184316680.db2.gz FNCSBVPHZSECBT-UHFFFAOYSA-N 0 0 300.408 3.802 50 0 DHAARN CCn1cc(CC(=O)Nc2cccc(C)c2C)c2cccnc21 ZINC000065155850 184312767 /nfs/dbraw/zinc/31/27/67/184312767.db2.gz FAQKZDAJQMKGFB-UHFFFAOYSA-N 0 0 307.397 3.854 50 0 DHAARN CCCn1cc(CCNC(=O)Nc2ccccc2)c2cccnc21 ZINC000065156572 184312853 /nfs/dbraw/zinc/31/28/53/184312853.db2.gz ULLFSIYCBUDKPU-UHFFFAOYSA-N 0 0 322.412 3.811 50 0 DHAARN COc1ccc(-c2ncccc2CNC(=O)CC2CCCC2)cc1 ZINC000065171169 184313679 /nfs/dbraw/zinc/31/36/79/184313679.db2.gz FJTPRZOJNPOTIT-UHFFFAOYSA-N 0 0 324.424 3.954 50 0 DHAARN O=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000065171289 184313710 /nfs/dbraw/zinc/31/37/10/184313710.db2.gz DYPACXXKKITOJG-UHFFFAOYSA-N 0 0 324.330 3.957 50 0 DHAARN O=C(NCc1cccnc1-c1ccccc1)c1cccc(F)c1 ZINC000065171445 184313737 /nfs/dbraw/zinc/31/37/37/184313737.db2.gz WLHTWDIGVCLWJH-UHFFFAOYSA-N 0 0 306.340 3.818 50 0 DHAARN Cc1ccc(CNC(=O)c2nc(-c3cccs3)cs2)o1 ZINC000065199405 184314434 /nfs/dbraw/zinc/31/44/34/184314434.db2.gz PTSKUGRHQZTXDU-UHFFFAOYSA-N 0 0 304.396 3.703 50 0 DHAARN CCC(=O)N1CCc2c1cccc2C(=O)Nc1ccc(C)cc1 ZINC000065209893 184314643 /nfs/dbraw/zinc/31/46/43/184314643.db2.gz DEROVSUGBPPSSK-UHFFFAOYSA-N 0 0 308.381 3.546 50 0 DHAARN O=C(CCc1conc1-c1ccc(F)cc1)NCc1ccccc1 ZINC000065213465 184314689 /nfs/dbraw/zinc/31/46/89/184314689.db2.gz CJZZSPXEPUCZOP-UHFFFAOYSA-N 0 0 324.355 3.730 50 0 DHAARN O=C(CCc1conc1-c1ccc(F)cc1)NC1CCCCC1 ZINC000065213470 184314873 /nfs/dbraw/zinc/31/48/73/184314873.db2.gz BPQWOSPWQDEXEP-UHFFFAOYSA-N 0 0 316.376 3.862 50 0 DHAARN CCN(CC)C(=O)c1ccc2nc(-c3ccc(C)cc3)cn2c1 ZINC000065229905 184315793 /nfs/dbraw/zinc/31/57/93/184315793.db2.gz MHOOSIDILMFOCS-UHFFFAOYSA-N 0 0 307.397 3.792 50 0 DHAARN Cc1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1C ZINC000065239583 184317184 /nfs/dbraw/zinc/31/71/84/184317184.db2.gz RLGHLFKJFOFHBB-UHFFFAOYSA-N 0 0 317.352 3.601 50 0 DHAARN Cc1ccccc1CC(=O)N1CCc2cc(-c3ccno3)ccc21 ZINC000065247353 184318011 /nfs/dbraw/zinc/31/80/11/184318011.db2.gz JGXJZZQIUHSYPZ-UHFFFAOYSA-N 0 0 318.376 3.782 50 0 DHAARN Cc1cc(I)cc(C)c1Br ZINC000065356438 184328252 /nfs/dbraw/zinc/32/82/52/184328252.db2.gz QFHHDLIXCIGLBS-UHFFFAOYSA-N 0 0 310.960 3.671 50 0 DHAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1C)CC(=O)N2 ZINC000065365559 184329596 /nfs/dbraw/zinc/32/95/96/184329596.db2.gz SXRYNZVVGXLTPI-KRWDZBQOSA-N 0 0 317.392 3.963 50 0 DHAARN CCCCOc1ccc2c(c1)NC(=O)C[C@H]2c1ccncc1F ZINC000065372914 184330617 /nfs/dbraw/zinc/33/06/17/184330617.db2.gz TVZGLLBLMZWUON-HNNXBMFYSA-N 0 0 314.360 3.874 50 0 DHAARN FC(F)(F)c1ccccc1-n1nc(C2CC2)nc1[C@@H]1CCOC1 ZINC000065408499 184339236 /nfs/dbraw/zinc/33/92/36/184339236.db2.gz RCHBVVASYRFYFS-LLVKDONJSA-N 0 0 323.318 3.667 50 0 DHAARN Cc1c(CCn2cnnc2)c2ccccc2n1Cc1ccccc1 ZINC000065423045 184341748 /nfs/dbraw/zinc/34/17/48/184341748.db2.gz QRFGLSFCMNGLHJ-UHFFFAOYSA-N 0 0 316.408 3.832 50 0 DHAARN C/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1cnn2-c1ccccc1 ZINC000065452949 184346612 /nfs/dbraw/zinc/34/66/12/184346612.db2.gz PCPXIUSOMZNVDW-QSOAKEGCSA-N 0 0 319.364 3.995 50 0 DHAARN Oc1ccc(-n2cccc2)cc1-c1n[nH]c(Cc2ccccc2)n1 ZINC000065457728 184348602 /nfs/dbraw/zinc/34/86/02/184348602.db2.gz PRNVBTLFYCZUNN-UHFFFAOYSA-N 0 0 316.364 3.559 50 0 DHAARN C[C@H](C(N)=O)n1cnc(-c2ccccc2)c1CCC1CCCC1 ZINC000065461902 184349120 /nfs/dbraw/zinc/34/91/20/184349120.db2.gz YOWMYWIYKQEEPB-CQSZACIVSA-N 0 0 311.429 3.719 50 0 DHAARN CC(C)c1nn(C)cc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000065475448 184351654 /nfs/dbraw/zinc/35/16/54/184351654.db2.gz LGJNWLWHOWEARL-UHFFFAOYSA-N 0 0 311.429 3.563 50 0 DHAARN CC[C@@H](Sc1nnc(C)s1)C(=O)c1ccc(OC)cc1 ZINC000065475668 184351797 /nfs/dbraw/zinc/35/17/97/184351797.db2.gz ZFLTUOJSFAUJCJ-GFCCVEGCSA-N 0 0 308.428 3.609 50 0 DHAARN COc1c(CN[C@@H](C)c2cc(C)oc2C)c(C(C)C)nn1C ZINC000065475374 184352184 /nfs/dbraw/zinc/35/21/84/184352184.db2.gz FSAMYFIORDDHHE-LBPRGKRZSA-N 0 0 305.422 3.613 50 0 DHAARN COc1ccccc1-n1nc(C(C)C)nc1[C@@H]1CCCCO1 ZINC000065488686 184353015 /nfs/dbraw/zinc/35/30/15/184353015.db2.gz AHNQQOFHQIPLEP-HNNXBMFYSA-N 0 0 301.390 3.641 50 0 DHAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)(C)C ZINC000065403062 184337273 /nfs/dbraw/zinc/33/72/73/184337273.db2.gz DMTOYKRZJZGGAG-UHFFFAOYSA-N 0 0 322.405 3.698 50 0 DHAARN CSCc1ccc(C(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)o1 ZINC000065405224 184337779 /nfs/dbraw/zinc/33/77/79/184337779.db2.gz DALKAZCLTMKULM-ZDUSSCGKSA-N 0 0 318.442 3.549 50 0 DHAARN CCN(CC)c1ccc(C(=O)Nc2ccc3ccccc3n2)cn1 ZINC000065530637 184361099 /nfs/dbraw/zinc/36/10/99/184361099.db2.gz QVBNTZAZETZHDJ-UHFFFAOYSA-N 0 0 320.396 3.728 50 0 DHAARN Cn1cc(CCC(=O)N(Cc2ccccc2)c2ccccc2)cn1 ZINC000065588159 184369285 /nfs/dbraw/zinc/36/92/85/184369285.db2.gz IDKSFOIHEAYHAF-UHFFFAOYSA-N 0 0 319.408 3.586 50 0 DHAARN COc1ccc(C2(c3nnc(CCc4ccccc4)[nH]3)CC2)cc1 ZINC000065505534 184356940 /nfs/dbraw/zinc/35/69/40/184356940.db2.gz QGSZRQKXCWOQTA-UHFFFAOYSA-N 0 0 319.408 3.678 50 0 DHAARN O=C(CCCC1CCCCC1)NCc1n[nH]c(=S)n1C1CC1 ZINC000065513296 184357983 /nfs/dbraw/zinc/35/79/83/184357983.db2.gz OKEQLYUNRDAMOH-UHFFFAOYSA-N 0 0 322.478 3.642 50 0 DHAARN O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1ccc[nH]1 ZINC000065515489 184357999 /nfs/dbraw/zinc/35/79/99/184357999.db2.gz NNAGUNGURQXQKN-UHFFFAOYSA-N 0 0 310.328 3.985 50 0 DHAARN Cc1nc(CSc2nnc(-c3c(C)cc(C)cc3C)o2)no1 ZINC000069454592 184516252 /nfs/dbraw/zinc/51/62/52/184516252.db2.gz DFLZWKLGOFRWER-UHFFFAOYSA-N 0 0 316.386 3.646 50 0 DHAARN C[C@@H]1CCc2c(sc3ncnc(N4CCCSCC4)c23)C1 ZINC000069351989 184508978 /nfs/dbraw/zinc/50/89/78/184508978.db2.gz ZXVGBQJWHDEHBT-LLVKDONJSA-N 0 0 319.499 3.759 50 0 DHAARN CCc1ccc(-c2noc(-c3cccc(NC(C)=O)c3)n2)cc1 ZINC000113735232 194610699 /nfs/dbraw/zinc/61/06/99/194610699.db2.gz HUVNGHAKCOJWFT-UHFFFAOYSA-N 0 0 307.353 3.924 50 0 DHAARN Cc1cccc(N(C)C(=O)CSc2ccc3c(c2)CCC3)n1 ZINC000118666865 194913461 /nfs/dbraw/zinc/91/34/61/194913461.db2.gz UTIWCXLRZTYXEG-UHFFFAOYSA-N 0 0 312.438 3.634 50 0 DHAARN O=S(=O)(c1cccc(F)c1)N1CCCSc2ccccc21 ZINC000120394320 195157665 /nfs/dbraw/zinc/15/76/65/195157665.db2.gz FNLMGIUGGRNBLD-UHFFFAOYSA-N 0 0 323.414 3.517 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc2c(s1)CCC2 ZINC000008313172 256522981 /nfs/dbraw/zinc/52/29/81/256522981.db2.gz DJJJZEUYMRXHJV-UHFFFAOYSA-N 0 0 311.410 3.684 50 0 DHAARN CCCc1cc(C(=O)N(C)CCc2scnc2C)cs1 ZINC000072435438 256545988 /nfs/dbraw/zinc/54/59/88/256545988.db2.gz LTIZHVUVZNKUPB-UHFFFAOYSA-N 0 0 308.472 3.780 50 0 DHAARN COCCN1C(=O)c2ccccc2N[C@@H]1/C(C)=C\c1ccccc1 ZINC000096942859 257212299 /nfs/dbraw/zinc/21/22/99/257212299.db2.gz BEJDFFRIDINBBR-AVCMKVNGSA-N 0 0 322.408 3.630 50 0 DHAARN C[C@H](c1ccco1)N(C(=O)NC[C@@H](C)c1ccncc1)C1CC1 ZINC000095409992 257271983 /nfs/dbraw/zinc/27/19/83/257271983.db2.gz GOQOESCFHYILMN-ZIAGYGMSSA-N 0 0 313.401 3.713 50 0 DHAARN Cc1nc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c(Cl)c(=O)[n-]1 ZINC000216494052 257273373 /nfs/dbraw/zinc/27/33/73/257273373.db2.gz FREKTVHZHRQLPL-NSHDSACASA-N 0 0 317.820 3.556 50 0 DHAARN COc1ccc(C2(C(=O)NCc3cccc4[nH]ccc43)CC2)cc1 ZINC000222883768 257274382 /nfs/dbraw/zinc/27/43/82/257274382.db2.gz JAQLZHNELAMCGH-UHFFFAOYSA-N 0 0 320.392 3.525 50 0 DHAARN CSc1ccc(C(=O)N(C)Cc2cc(C3CC3)on2)cc1 ZINC000222584365 257274573 /nfs/dbraw/zinc/27/45/73/257274573.db2.gz GFKQKUSOWITNAH-UHFFFAOYSA-N 0 0 302.399 3.546 50 0 DHAARN CCS[C@@H]1CCCCN(C(=O)C[C@H]2CCO[C@@H](CC)C2)C1 ZINC000361035817 257236064 /nfs/dbraw/zinc/23/60/64/257236064.db2.gz PIDFKNVEPNTKEL-HRCADAONSA-N 0 0 313.507 3.716 50 0 DHAARN Cc1c2ccccc2[nH]c1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000426674336 257244044 /nfs/dbraw/zinc/24/40/44/257244044.db2.gz SFKAXWXXJLLCGR-MRXNPFEDSA-N 0 0 320.392 3.770 50 0 DHAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)NCCCc1cccnc1)C2 ZINC000426674323 257244047 /nfs/dbraw/zinc/24/40/47/257244047.db2.gz RIALMKZZSAXVTK-VQIMIIECSA-N 0 0 315.461 3.624 50 0 DHAARN Cc1ccsc1CNC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000426674013 257244091 /nfs/dbraw/zinc/24/40/91/257244091.db2.gz ILCMTXVWOCNKLN-HNNXBMFYSA-N 0 0 315.442 3.888 50 0 DHAARN CSc1nc(C(=O)NC2(Cc3ccc(C)cc3)CC2)cs1 ZINC000426662036 257244460 /nfs/dbraw/zinc/24/44/60/257244460.db2.gz BSYCAEPEIFNIDR-UHFFFAOYSA-N 0 0 318.467 3.679 50 0 DHAARN CCOCCCNC(=O)c1cccc(-c2ccc(C)nc2C)c1 ZINC000426624942 257244983 /nfs/dbraw/zinc/24/49/83/257244983.db2.gz YLHSJDJXZHCMAK-UHFFFAOYSA-N 0 0 312.413 3.522 50 0 DHAARN O=C(NCc1ccccc1C(F)(F)F)N1CCC(F)(F)CC1 ZINC000426582877 257245911 /nfs/dbraw/zinc/24/59/11/257245911.db2.gz SXWTVKXWJPRJCL-UHFFFAOYSA-N 0 0 322.277 3.646 50 0 DHAARN CCOc1ncccc1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000426535970 257247916 /nfs/dbraw/zinc/24/79/16/257247916.db2.gz WLOANMLEDWFBDU-UHFFFAOYSA-N 0 0 310.397 3.773 50 0 DHAARN CC1(C)C[C@@]1(C(=O)NCc1ccc2[nH]cnc2c1)c1ccccc1 ZINC000426527657 257248031 /nfs/dbraw/zinc/24/80/31/257248031.db2.gz DKWHYOTYFWDJAW-FQEVSTJZSA-N 0 0 319.408 3.547 50 0 DHAARN CC(C)CCNC(=O)c1ccc(-c2cnc3[nH]ccc3c2)cc1 ZINC000426506526 257248196 /nfs/dbraw/zinc/24/81/96/257248196.db2.gz AMDYJJARTSFINK-UHFFFAOYSA-N 0 0 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C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)C[C@H]1CCOC1 ZINC000172883035 526045606 /nfs/dbraw/zinc/04/56/06/526045606.db2.gz RKCYTUMQORJKNP-ZJUUUORDSA-N 0 0 323.241 3.506 50 0 DHAARN Cc1ncsc1CN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000093606497 527502869 /nfs/dbraw/zinc/50/28/69/527502869.db2.gz GMCYEATUEFVRED-NHYWBVRUSA-N 0 0 306.406 3.553 50 0 DHAARN CCC[C@@H](C)n1nccc1NC(=O)N(C)C1CCSCC1 ZINC000299758818 528910043 /nfs/dbraw/zinc/91/00/43/528910043.db2.gz MEBSEBFGJPKHGN-GFCCVEGCSA-N 0 0 310.467 3.604 50 0 DHAARN CCCC[C@@H]1C=CCN1C(=O)Nc1ccc(OC)c(OC)c1 ZINC000097446941 563539376 /nfs/dbraw/zinc/53/93/76/563539376.db2.gz YZQQPPNDHDIBMZ-CQSZACIVSA-N 0 0 304.390 3.666 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)COCO2 ZINC000073155431 563598959 /nfs/dbraw/zinc/59/89/59/563598959.db2.gz PCXRJLBWQFOZKK-UHFFFAOYSA-N 0 0 307.708 3.598 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044966757 563687485 /nfs/dbraw/zinc/68/74/85/563687485.db2.gz DXLJJSQHSRSJSF-BDAKNGLRSA-N 0 0 319.352 3.723 50 0 DHAARN Cc1nc(C)c([C@@H](C)Nc2nccc(C(F)(F)F)n2)s1 ZINC000048626042 563699108 /nfs/dbraw/zinc/69/91/08/563699108.db2.gz XZMKAPUZOJCWJJ-SSDOTTSWSA-N 0 0 302.325 3.742 50 0 DHAARN CC(C)Sc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1 ZINC000001393522 563817353 /nfs/dbraw/zinc/81/73/53/563817353.db2.gz FAAMWBXEJRUGDN-UHFFFAOYSA-N 0 0 314.332 3.752 50 0 DHAARN O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCCCC1 ZINC000069416817 563866379 /nfs/dbraw/zinc/86/63/79/563866379.db2.gz NZTSFBQGQSVEHI-QWHCGFSZSA-N 0 0 308.219 3.565 50 0 DHAARN Cc1ccsc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000036350657 563896030 /nfs/dbraw/zinc/89/60/30/563896030.db2.gz BKOPJBCEBQATJP-CQSZACIVSA-N 0 0 322.861 3.743 50 0 DHAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000007218016 563904540 /nfs/dbraw/zinc/90/45/40/563904540.db2.gz BIUOFYISKNTURG-SNVBAGLBSA-N 0 0 313.781 3.519 50 0 DHAARN CC(C)c1ccc(NC(=O)N(CC2CCC2)[C@H](C)CO)cc1 ZINC000170619518 563908532 /nfs/dbraw/zinc/90/85/32/563908532.db2.gz RFYAYCXLYWLTPH-CQSZACIVSA-N 0 0 304.434 3.825 50 0 DHAARN C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000013329843 563909724 /nfs/dbraw/zinc/90/97/24/563909724.db2.gz UZKNTQHUVLFRCT-KOLCDFICSA-N 0 0 317.216 3.533 50 0 DHAARN Cc1ncsc1CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000076017046 563911716 /nfs/dbraw/zinc/91/17/16/563911716.db2.gz RNNDNWPBJZCBGT-UHFFFAOYSA-N 0 0 319.455 3.512 50 0 DHAARN C[C@@H](N[C@H](C)c1ccc(F)cc1OC(F)F)c1cnn(C)c1 ZINC000095968478 563933076 /nfs/dbraw/zinc/93/30/76/563933076.db2.gz QAYODACGUWAQHY-NXEZZACHSA-N 0 0 313.323 3.572 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(C(C)C)C1CC1 ZINC000095944975 563932196 /nfs/dbraw/zinc/93/21/96/563932196.db2.gz WUNVQZABYCPPNZ-GFCCVEGCSA-N 0 0 306.454 3.590 50 0 DHAARN COc1ccc([C@@H](NC(=O)c2ccc(C)s2)C2CC2)cc1 ZINC000031257970 563944482 /nfs/dbraw/zinc/94/44/82/563944482.db2.gz PCKHHYRXNLYLSJ-INIZCTEOSA-N 0 0 301.411 3.946 50 0 DHAARN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000230128813 563941732 /nfs/dbraw/zinc/94/17/32/563941732.db2.gz SOCQHZVPVRJVCI-GIPNMCIBSA-N 0 0 314.351 3.963 50 0 DHAARN Cn1ccnc1[C@@H](OC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008425272 563948629 /nfs/dbraw/zinc/94/86/29/563948629.db2.gz AMDANUNGFHZVBO-SNVBAGLBSA-N 0 0 318.682 3.534 50 0 DHAARN CCN(Cc1ccoc1)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000069538850 563953371 /nfs/dbraw/zinc/95/33/71/563953371.db2.gz WDVIJFRCCZAAEU-LLVKDONJSA-N 0 0 308.328 3.851 50 0 DHAARN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000010341154 563958587 /nfs/dbraw/zinc/95/85/87/563958587.db2.gz FNQDPFPWNZZDGZ-LLVKDONJSA-N 0 0 320.845 3.787 50 0 DHAARN COc1cc(NC(=O)Cc2ccccc2)c(OC)cc1Cl ZINC000000292194 563236644 /nfs/dbraw/zinc/23/66/44/563236644.db2.gz OHCCHENIMHLRNI-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN O=C(NC(=O)c1ccc(F)cc1F)Nc1ccccc1Cl ZINC000000171823 563227487 /nfs/dbraw/zinc/22/74/87/563227487.db2.gz XCSNJGNOURKCPP-UHFFFAOYSA-N 0 0 310.687 3.580 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 ZINC000000307808 563238983 /nfs/dbraw/zinc/23/89/83/563238983.db2.gz CCANEQPISVBKKP-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN Cc1c(Br)cccc1NC(=O)Cc1ccccc1 ZINC000000409520 563252044 /nfs/dbraw/zinc/25/20/44/563252044.db2.gz UVHIAFQWUMZYBX-UHFFFAOYSA-N 0 0 304.187 3.939 50 0 DHAARN COc1cccc(COc2ccc(Br)cc2C=O)c1 ZINC000002558298 563309031 /nfs/dbraw/zinc/30/90/31/563309031.db2.gz XHYZANDEQVEKJH-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN CCCCN1C(=O)S/C(=C\c2cc(Cl)ccc2O)C1=O ZINC000002815708 563313615 /nfs/dbraw/zinc/31/36/15/563313615.db2.gz OBWQQSRZMCSCHB-WQLSENKSSA-N 0 0 311.790 3.882 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000012404277 563368236 /nfs/dbraw/zinc/36/82/36/563368236.db2.gz HTIKSXAJMVSYPM-NSHDSACASA-N 0 0 302.399 3.529 50 0 DHAARN COCc1ccccc1CNC(=O)c1c(F)cccc1Cl ZINC000025795704 563424088 /nfs/dbraw/zinc/42/40/88/563424088.db2.gz BJROJWIFAITZHQ-UHFFFAOYSA-N 0 0 307.752 3.556 50 0 DHAARN C[C@H](OCc1ccccc1)C(=O)Nc1nc(C2CC2)cs1 ZINC000030850719 563438519 /nfs/dbraw/zinc/43/85/19/563438519.db2.gz FHNRXEWRBYTEQK-NSHDSACASA-N 0 0 302.399 3.564 50 0 DHAARN CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)n1 ZINC000076042926 563459313 /nfs/dbraw/zinc/45/93/13/563459313.db2.gz OCBPIBZCZVTNNP-STQMWFEESA-N 0 0 322.474 3.673 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000033149318 563497680 /nfs/dbraw/zinc/49/76/80/563497680.db2.gz WSYXWDUFRGSCLB-UHFFFAOYSA-N 0 0 321.808 3.900 50 0 DHAARN CCCc1nnc(SCc2c(Cl)cccc2Cl)n1N ZINC000000145750 563224136 /nfs/dbraw/zinc/22/41/36/563224136.db2.gz UZFLMOMZURRTHN-UHFFFAOYSA-N 0 0 317.245 3.544 50 0 DHAARN COc1ccc(NC(=S)NC(=O)CC(C)(C)C)cc1Cl ZINC000000150282 563224746 /nfs/dbraw/zinc/22/47/46/563224746.db2.gz BFJZFJYXGQILMM-UHFFFAOYSA-N 0 0 314.838 3.598 50 0 DHAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1 ZINC000000029408 563211070 /nfs/dbraw/zinc/21/10/70/563211070.db2.gz IPKYAISLSVOYDX-UHFFFAOYSA-N 0 0 303.427 3.594 50 0 DHAARN COc1ccc(C=O)cc1COc1ccccc1Br ZINC000000035794 563211278 /nfs/dbraw/zinc/21/12/78/563211278.db2.gz ATCXVERWJNGQFR-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN O=C(Nc1ccc(Br)cn1)c1cc2ccccc2o1 ZINC000000036084 563211305 /nfs/dbraw/zinc/21/13/05/563211305.db2.gz FVSFNZQPURGLSZ-UHFFFAOYSA-N 0 0 317.142 3.843 50 0 DHAARN COc1cccc(C(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000000036322 563211312 /nfs/dbraw/zinc/21/13/12/563211312.db2.gz ZNRPRVFRKDEJJW-UHFFFAOYSA-N 0 0 309.409 3.937 50 0 biogenic DHAARN Cc1cc(C)n2ncc(-c3cccc(Br)c3)c2n1 ZINC000000038196 563211397 /nfs/dbraw/zinc/21/13/97/563211397.db2.gz VCLPEIYGFSLHEN-UHFFFAOYSA-N 0 0 302.175 3.776 50 0 DHAARN CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000000045001 563211691 /nfs/dbraw/zinc/21/16/91/563211691.db2.gz FOLNCPMAIZWJRE-INIZCTEOSA-N 0 0 322.408 3.549 50 0 DHAARN O=C(COc1ccc2ccccc2c1)N1CCc2ccccc21 ZINC000000049353 563211859 /nfs/dbraw/zinc/21/18/59/563211859.db2.gz GFJYMBGNXAJNTL-UHFFFAOYSA-N 0 0 303.361 3.808 50 0 DHAARN O=C(Nc1ccc(Cl)cn1)c1cccc(Br)c1 ZINC000000058979 563212252 /nfs/dbraw/zinc/21/22/52/563212252.db2.gz UZZLSZZSCCZKHP-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN CSc1nc2cccc(F)c2c(=O)n1-c1ccc(C)c(C)c1 ZINC000000078869 563213866 /nfs/dbraw/zinc/21/38/66/563213866.db2.gz WKIQDOSDBFGZED-UHFFFAOYSA-N 0 0 314.385 3.864 50 0 DHAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(C)N(Cc3ccccc3)C(=O)CN21 ZINC000000088518 563215118 /nfs/dbraw/zinc/21/51/18/563215118.db2.gz MKPBDWUHVCSHSY-OAQYLSRUSA-N 0 0 320.436 3.851 50 0 biogenic DHAARN C[C@@H]1S[C@@H](c2cccnc2)N(c2ccc(F)cc2F)C1=O ZINC000000101486 563217085 /nfs/dbraw/zinc/21/70/85/563217085.db2.gz UNMLFVDNUVMNOR-VFZGTOFNSA-N 0 0 306.337 3.527 50 0 DHAARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000000102267 563217515 /nfs/dbraw/zinc/21/75/15/563217515.db2.gz YPMHGAUQQLJHJH-UHFFFAOYSA-N 0 0 301.289 3.506 50 0 DHAARN COc1ccccc1/C=C/C(=O)NCc1ccc(Cl)cc1 ZINC000000115170 563219348 /nfs/dbraw/zinc/21/93/48/563219348.db2.gz SQOIRUHNOQUAOT-DHZHZOJOSA-N 0 0 301.773 3.678 50 0 DHAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccncc1 ZINC000000119479 563219822 /nfs/dbraw/zinc/21/98/22/563219822.db2.gz KHQQLUKOGBLASL-UHFFFAOYSA-N 0 0 304.349 3.913 50 0 DHAARN COc1ccc(NC(=O)CCn2cc(C)c3ccccc32)cc1 ZINC000000119355 563219870 /nfs/dbraw/zinc/21/98/70/563219870.db2.gz TTYYVLCSYHLKOK-UHFFFAOYSA-N 0 0 308.381 3.987 50 0 DHAARN COc1ccc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc1 ZINC000000119698 563219949 /nfs/dbraw/zinc/21/99/49/563219949.db2.gz HTFJPMGFPVZQOO-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN CC(C)OC(=O)c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000000132643 563222042 /nfs/dbraw/zinc/22/20/42/563222042.db2.gz CUTRHYHJQOXCDN-UHFFFAOYSA-N 0 0 307.353 3.939 50 0 DHAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2N)c(C)c1C ZINC000000139508 563222822 /nfs/dbraw/zinc/22/28/22/563222822.db2.gz CMLCZYQCHNIRCV-UHFFFAOYSA-N 0 0 318.442 3.612 50 0 DHAARN FC(F)(F)c1nc2ccccc2c(NCc2cccnc2)n1 ZINC000000151341 563225323 /nfs/dbraw/zinc/22/53/23/563225323.db2.gz NFAOVQOCYRYYHW-UHFFFAOYSA-N 0 0 304.275 3.656 50 0 DHAARN O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccco1 ZINC000000153693 563225336 /nfs/dbraw/zinc/22/53/36/563225336.db2.gz RNEQFYNYAJUDCU-UHFFFAOYSA-N 0 0 311.366 3.501 50 0 DHAARN Clc1ccc(CSC2=NCN(C3CC3)CN2)cc1Cl ZINC000000166875 563226333 /nfs/dbraw/zinc/22/63/33/563226333.db2.gz OYQQGFBYZKZYAA-UHFFFAOYSA-N 0 0 316.257 3.565 50 0 DHAARN CN(C)c1cc(C(F)(F)F)nc2c(Cl)c(C(C)(C)C)nn21 ZINC000000169347 563226934 /nfs/dbraw/zinc/22/69/34/563226934.db2.gz NJYGHWKIHNMDML-UHFFFAOYSA-N 0 0 320.746 3.765 50 0 DHAARN COc1ccc(CC(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000000168974 563227033 /nfs/dbraw/zinc/22/70/33/563227033.db2.gz BALSIKGNZVYMFL-UHFFFAOYSA-N 0 0 323.436 3.866 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCC1)Oc1ccccc1 ZINC000000177902 563227955 /nfs/dbraw/zinc/22/79/55/563227955.db2.gz GQPGRJMHFDMFTK-UHFFFAOYSA-N 0 0 310.353 3.534 50 0 DHAARN C[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000000181164 563228441 /nfs/dbraw/zinc/22/84/41/563228441.db2.gz DCLOAAOADZBCIS-GFCCVEGCSA-N 0 0 312.394 3.797 50 0 DHAARN CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C ZINC000000188300 563229176 /nfs/dbraw/zinc/22/91/76/563229176.db2.gz CRYOIWMVGRVNFN-UHFFFAOYSA-N 0 0 324.789 3.534 50 0 DHAARN O=c1[nH]c2ccc(NCc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000000194864 563229749 /nfs/dbraw/zinc/22/97/49/563229749.db2.gz LADILXUPFJQLQI-UHFFFAOYSA-N 0 0 308.168 3.775 50 0 DHAARN Cc1cc(C)n(C[C@H](O)Cn2c3ccccc3c3ccccc32)n1 ZINC000000197430 563229826 /nfs/dbraw/zinc/22/98/26/563229826.db2.gz OMHHJCAKLOMROZ-MRXNPFEDSA-N 0 0 319.408 3.669 50 0 in-vitro DHAARN CCN(CC)c1cc(-n2nc(C)cc2C)nc(-c2ccccc2)n1 ZINC000000200591 563230162 /nfs/dbraw/zinc/23/01/62/563230162.db2.gz SGASOVXNSKNOOF-UHFFFAOYSA-N 0 0 321.428 3.792 50 0 DHAARN FC(F)(F)c1cc(-c2ccccc2)nc(NC[C@@H]2CCCO2)n1 ZINC000000213188 563230775 /nfs/dbraw/zinc/23/07/75/563230775.db2.gz BIXFAKJKVRUCNU-LBPRGKRZSA-N 0 0 323.318 3.753 50 0 DHAARN FC(F)(F)c1cc(-c2ccccc2)nc(NC[C@H]2CCCO2)n1 ZINC000000213185 563230902 /nfs/dbraw/zinc/23/09/02/563230902.db2.gz BIXFAKJKVRUCNU-GFCCVEGCSA-N 0 0 323.318 3.753 50 0 DHAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCCC1 ZINC000000217741 563231573 /nfs/dbraw/zinc/23/15/73/563231573.db2.gz OLBSXMVXURDUSV-UHFFFAOYSA-N 0 0 303.365 3.533 50 0 DHAARN O=C(NC1CCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000000217189 563231776 /nfs/dbraw/zinc/23/17/76/563231776.db2.gz JMMQWWWXIKRBAA-UHFFFAOYSA-N 0 0 317.392 3.969 50 0 DHAARN Cc1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)n1C ZINC000000235587 563232058 /nfs/dbraw/zinc/23/20/58/563232058.db2.gz GRPMGPRDFRNCPX-UHFFFAOYSA-N 0 0 323.421 3.766 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000000237054 563232072 /nfs/dbraw/zinc/23/20/72/563232072.db2.gz GAWYFPDRSFXCQY-UHFFFAOYSA-N 0 0 303.749 3.942 50 0 DHAARN O=C(CSc1ccccn1)c1ccc(Br)cc1 ZINC000000241922 563232671 /nfs/dbraw/zinc/23/26/71/563232671.db2.gz GUGVDLUPWKIBQU-UHFFFAOYSA-N 0 0 308.200 3.819 50 0 DHAARN Cc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000000240337 563232768 /nfs/dbraw/zinc/23/27/68/563232768.db2.gz GNISFWGQPJYVJV-UHFFFAOYSA-N 0 0 307.444 3.503 50 0 DHAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000000242879 563232861 /nfs/dbraw/zinc/23/28/61/563232861.db2.gz FXJWGIYQVLNWHL-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN Cc1ccc(N(C)C)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000000251754 563233534 /nfs/dbraw/zinc/23/35/34/563233534.db2.gz BVXDCDNPINYTIV-UHFFFAOYSA-N 0 0 318.804 3.732 50 0 DHAARN COc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1 ZINC000000265922 563234471 /nfs/dbraw/zinc/23/44/71/563234471.db2.gz OVOKAOJXXISGGL-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN COc1ccc(NCc2cc(C)c(OC)cc2C)cc1OC ZINC000000279476 563235400 /nfs/dbraw/zinc/23/54/00/563235400.db2.gz HTINYGJUDBUCFN-UHFFFAOYSA-N 0 0 301.386 3.941 50 0 DHAARN COc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 ZINC000000272435 563235421 /nfs/dbraw/zinc/23/54/21/563235421.db2.gz HDHVXHOMRGEEMV-UHFFFAOYSA-N 0 0 306.365 3.525 50 0 DHAARN CCN(c1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000272557 563235595 /nfs/dbraw/zinc/23/55/95/563235595.db2.gz NTVLJMUQOPZFHX-UHFFFAOYSA-N 0 0 303.427 3.827 50 0 DHAARN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(O)cc2)c1 ZINC000000289474 563236494 /nfs/dbraw/zinc/23/64/94/563236494.db2.gz BNTPHVOJKUVMRU-UHFFFAOYSA-N 0 0 312.369 3.629 50 0 DHAARN CCOc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000304869 563238364 /nfs/dbraw/zinc/23/83/64/563238364.db2.gz BXMXRHFXWJRBJM-UHFFFAOYSA-N 0 0 319.426 3.811 50 0 DHAARN COc1ccc(C(=O)Nc2cccc(F)c2)cc1Br ZINC000000308870 563238878 /nfs/dbraw/zinc/23/88/78/563238878.db2.gz CGEXJQBWMOIFRF-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000000318672 563240815 /nfs/dbraw/zinc/24/08/15/563240815.db2.gz OUUOXOIILVIIQG-UHFFFAOYSA-N 0 0 310.397 3.631 50 0 DHAARN CC(C)(C)c1ccc(S(=O)(=O)Cc2ccc(C=O)cc2)cc1 ZINC000000336510 563242156 /nfs/dbraw/zinc/24/21/56/563242156.db2.gz LPDDQYUDGGXWBN-UHFFFAOYSA-N 0 0 316.422 3.771 50 0 DHAARN CCOC(=O)c1nc(-c2ccc(Br)cc2)cs1 ZINC000000343133 563242654 /nfs/dbraw/zinc/24/26/54/563242654.db2.gz XGCLHKIDYQWOAC-UHFFFAOYSA-N 0 0 312.188 3.749 50 0 DHAARN CCCC(=O)Nc1ccc(I)cc1CC ZINC000000342351 563242846 /nfs/dbraw/zinc/24/28/46/563242846.db2.gz GPXQLKIYEQDBMT-UHFFFAOYSA-N 0 0 317.170 3.592 50 0 DHAARN 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COC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000000373961 563247080 /nfs/dbraw/zinc/24/70/80/563247080.db2.gz PGWVLAJUEREYOA-UHFFFAOYSA-N 0 0 301.733 3.833 50 0 DHAARN COc1ccc(-c2cn3ccccc3n2)cc1Br ZINC000000373930 563247163 /nfs/dbraw/zinc/24/71/63/563247163.db2.gz MSJHUGZGCBSPTE-UHFFFAOYSA-N 0 0 303.159 3.772 50 0 DHAARN Cc1nnc(SCC(=O)Nc2cccc3ccccc32)s1 ZINC000000375333 563247168 /nfs/dbraw/zinc/24/71/68/563247168.db2.gz MWYVXHTUWSMHFW-UHFFFAOYSA-N 0 0 315.423 3.731 50 0 DHAARN CCCc1nn(C)c(C(=O)Nc2cccc(Cl)c2)c1Cl ZINC000000385532 563248579 /nfs/dbraw/zinc/24/85/79/563248579.db2.gz UBBYAVZWRSLHPL-UHFFFAOYSA-N 0 0 312.200 3.932 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000000407290 563251373 /nfs/dbraw/zinc/25/13/73/563251373.db2.gz QDYDNKAVIIBNDO-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)no2)cc1 ZINC000000423635 563252724 /nfs/dbraw/zinc/25/27/24/563252724.db2.gz KVHOAAKGZMKRLP-ZDUSSCGKSA-N 0 0 322.364 3.841 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1noc2c1CCCCC2 ZINC000000426563 563252747 /nfs/dbraw/zinc/25/27/47/563252747.db2.gz WCBYPDMTXMQRMF-UHFFFAOYSA-N 0 0 308.740 3.988 50 0 DHAARN COc1ccc(C(=O)c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000000431896 563253251 /nfs/dbraw/zinc/25/32/51/563253251.db2.gz NVHXJMYVJRMNBH-UHFFFAOYSA-N 0 0 314.724 3.686 50 0 DHAARN O=C(N1N=C(c2ccccc2)C[C@H]1c1ccccc1)C(F)(F)F ZINC000000433604 563253330 /nfs/dbraw/zinc/25/33/30/563253330.db2.gz RQJFFFLFFSHBSE-HNNXBMFYSA-N 0 0 318.298 3.927 50 0 DHAARN CCC[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000000442546 563254289 /nfs/dbraw/zinc/25/42/89/563254289.db2.gz VXOABTTZDKXTLH-SECBINFHSA-N 0 0 317.170 3.666 50 0 DHAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2oc(=O)cc(C)c12 ZINC000000444405 563254952 /nfs/dbraw/zinc/25/49/52/563254952.db2.gz AXYQZBJOEOMXEW-UHFFFAOYSA-N 0 0 308.259 3.614 50 0 DHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 ZINC000000450586 563256045 /nfs/dbraw/zinc/25/60/45/563256045.db2.gz VQRIXNLEELNTLI-INIZCTEOSA-N 0 0 322.408 3.603 50 0 DHAARN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000000461002 563258337 /nfs/dbraw/zinc/25/83/37/563258337.db2.gz KHSVVQZXNPIFPX-UHFFFAOYSA-N 0 0 312.413 3.695 50 0 DHAARN c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1 ZINC000000458807 563258541 /nfs/dbraw/zinc/25/85/41/563258541.db2.gz LZDXZPOBLINBEO-UHFFFAOYSA-N 0 0 308.366 3.905 50 0 aggregator DHAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000000465106 563259414 /nfs/dbraw/zinc/25/94/14/563259414.db2.gz PDYOUSFZLVETTA-UHFFFAOYSA-N 0 0 318.323 3.812 50 0 DHAARN CC1(C)Cc2nc(NC(=O)Cc3cccs3)sc2C(=O)C1 ZINC000000464486 563259447 /nfs/dbraw/zinc/25/94/47/563259447.db2.gz AQSRFCASWNTRKK-UHFFFAOYSA-N 0 0 320.439 3.541 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)Nc2c(F)cccc2F)c(C)c1 ZINC000000468125 563260256 /nfs/dbraw/zinc/26/02/56/563260256.db2.gz LYZHQWSIUVENIO-UHFFFAOYSA-N 0 0 311.353 3.691 50 0 DHAARN CSc1nc2sc3c(c2c(-n2nc(C)cc2C)n1)CCC3 ZINC000000477120 563262391 /nfs/dbraw/zinc/26/23/91/563262391.db2.gz RIBQQNLVSSBMMK-UHFFFAOYSA-N 0 0 316.455 3.704 50 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O=C(CSCc1c(F)cccc1Cl)NC1CCCC1 ZINC000000581195 563268111 /nfs/dbraw/zinc/26/81/11/563268111.db2.gz OEQGUULMJVTCBW-UHFFFAOYSA-N 0 0 301.814 3.771 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2ccccc2SC)c1 ZINC000000581210 563268305 /nfs/dbraw/zinc/26/83/05/563268305.db2.gz WHOHNWLNLSZKFL-UHFFFAOYSA-N 0 0 303.383 3.678 50 0 DHAARN Cc1ccc(C)c(N(Cc2ccccc2C)S(C)(=O)=O)c1 ZINC000000582901 563268421 /nfs/dbraw/zinc/26/84/21/563268421.db2.gz FVABHURPWWQJIF-UHFFFAOYSA-N 0 0 303.427 3.578 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2ccccc2SC)c1 ZINC000000581757 563268556 /nfs/dbraw/zinc/26/85/56/563268556.db2.gz JRENFJYPUFUWML-UHFFFAOYSA-N 0 0 303.383 3.678 50 0 DHAARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000000612376 563269392 /nfs/dbraw/zinc/26/93/92/563269392.db2.gz HSZOKXDRZSNFSH-CQSZACIVSA-N 0 0 302.374 3.975 50 0 DHAARN COc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OC ZINC000000615165 563270159 /nfs/dbraw/zinc/27/01/59/563270159.db2.gz YTZULKDPNFQOSS-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN Clc1cccc(CSc2nnnn2-c2ccccc2)c1 ZINC000000616919 563270200 /nfs/dbraw/zinc/27/02/00/563270200.db2.gz XZJUHHZHIWJIIH-UHFFFAOYSA-N 0 0 302.790 3.608 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1 ZINC000000618592 563270513 /nfs/dbraw/zinc/27/05/13/563270513.db2.gz PWGKTMAHFLRPIL-UHFFFAOYSA-N 0 0 318.423 3.714 50 0 DHAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1NC(C)=O ZINC000000617792 563270614 /nfs/dbraw/zinc/27/06/14/563270614.db2.gz RSJLGRKZELPZAK-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN COc1ccc(NC(=O)COc2cc(C)ccc2C)cc1Cl ZINC000000858696 563272462 /nfs/dbraw/zinc/27/24/62/563272462.db2.gz JVMWRAOKPMRHEC-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN O=C1C[C@@H](c2ccc(Cl)cc2)c2cc3c(cc2N1)OCCO3 ZINC000000816170 563272556 /nfs/dbraw/zinc/27/25/56/563272556.db2.gz IQZXFHZMEGSEGE-LBPRGKRZSA-N 0 0 315.756 3.585 50 0 DHAARN O=C1S[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000000974163 563273149 /nfs/dbraw/zinc/27/31/49/563273149.db2.gz QVTLFMPTGMFIHS-ZDUSSCGKSA-N 0 0 318.785 3.978 50 0 DHAARN 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ZQFROAJNAJEGRM-ZDUSSCGKSA-N 0 0 300.402 3.858 50 0 DHAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1onc2c1CCCC2 ZINC000027662287 563429226 /nfs/dbraw/zinc/42/92/26/563429226.db2.gz TZHHZNSGKNNSSK-SNVBAGLBSA-N 0 0 320.776 3.613 50 0 DHAARN C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000027876045 563429889 /nfs/dbraw/zinc/42/98/89/563429889.db2.gz RZLMOYZUVCDKLG-BXKDBHETSA-N 0 0 319.348 3.596 50 0 DHAARN CC(C)Oc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 ZINC000027794931 563429960 /nfs/dbraw/zinc/42/99/60/563429960.db2.gz DXKCTJMPJHFWFV-LBPRGKRZSA-N 0 0 314.385 3.839 50 0 DHAARN C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000027876036 563429986 /nfs/dbraw/zinc/42/99/86/563429986.db2.gz RZLMOYZUVCDKLG-CABZTGNLSA-N 0 0 319.348 3.596 50 0 DHAARN O=C(c1ccc(Cl)cc1F)N1CCO[C@H](c2ccccc2)C1 ZINC000027908461 563429995 /nfs/dbraw/zinc/42/99/95/563429995.db2.gz FNNQVFVNRXCCLM-INIZCTEOSA-N 0 0 319.763 3.693 50 0 DHAARN Cc1c(C(=O)N[C@@H](C)[C@@H]2CCCO2)sc2nc(C)cc(C)c12 ZINC000027885548 563430007 /nfs/dbraw/zinc/43/00/07/563430007.db2.gz VJHJZKQMFWMFIT-STQMWFEESA-N 0 0 318.442 3.519 50 0 DHAARN CC(=O)Nc1ccc(SCc2noc(C(C)(C)C)n2)cc1 ZINC000028011785 563431025 /nfs/dbraw/zinc/43/10/25/563431025.db2.gz JDWWOOBZQVVDQJ-UHFFFAOYSA-N 0 0 305.403 3.618 50 0 DHAARN COc1cccc(CN(C)C(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC000072275485 563432104 /nfs/dbraw/zinc/43/21/04/563432104.db2.gz TYLUXKRUIOFVIY-UHFFFAOYSA-N 0 0 320.392 3.963 50 0 DHAARN CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)=O)c1 ZINC000028853017 563432666 /nfs/dbraw/zinc/43/26/66/563432666.db2.gz ZRMNGNAKZUVSPV-LBPRGKRZSA-N 0 0 324.380 3.531 50 0 DHAARN Cc1ccccc1CNC(=O)Nc1nc2c(s1)CCCC2 ZINC000072280712 563432708 /nfs/dbraw/zinc/43/27/08/563432708.db2.gz PSTYLRDVDDXSDL-UHFFFAOYSA-N 0 0 301.415 3.652 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccccn1 ZINC000028780165 563432785 /nfs/dbraw/zinc/43/27/85/563432785.db2.gz QPLWGYZUPXUCSR-NWDGAFQWSA-N 0 0 300.427 3.759 50 0 DHAARN Cc1csc2nc(CNc3c(C)cc(C)cc3C)cc(=O)n12 ZINC000011040736 563433276 /nfs/dbraw/zinc/43/32/76/563433276.db2.gz RXJAMGAGFQCKKY-UHFFFAOYSA-N 0 0 313.426 3.602 50 0 DHAARN C[C@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1 ZINC000028790910 563433329 /nfs/dbraw/zinc/43/33/29/563433329.db2.gz KQOIQLBYMBXQMC-QMMMGPOBSA-N 0 0 307.806 3.569 50 0 DHAARN COCc1cc(C(=O)N2CCCC[C@H]2c2nccs2)c(C)o1 ZINC000072285892 563435401 /nfs/dbraw/zinc/43/54/01/563435401.db2.gz ZJFDBLYLYPXKBU-AWEZNQCLSA-N 0 0 320.414 3.558 50 0 DHAARN O=C(NCCCOC1CCCCC1)NCc1ccc(Cl)cc1 ZINC000029686441 563435457 /nfs/dbraw/zinc/43/54/57/563435457.db2.gz WKVHWCUNJBGAPO-UHFFFAOYSA-N 0 0 324.852 3.879 50 0 DHAARN O=C(NOCc1ccccc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000029728586 563435548 /nfs/dbraw/zinc/43/55/48/563435548.db2.gz GTMUFYKRDDDVAY-QWHCGFSZSA-N 0 0 316.323 3.539 50 0 DHAARN CCOCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000029754022 563436185 /nfs/dbraw/zinc/43/61/85/563436185.db2.gz ZLGBLSIFTGQVKC-UHFFFAOYSA-N 0 0 302.418 3.622 50 0 DHAARN Cc1ccc(O)c(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 ZINC000030001451 563436348 /nfs/dbraw/zinc/43/63/48/563436348.db2.gz HPNZTNDROQRMMD-UHFFFAOYSA-N 0 0 321.336 3.535 50 0 DHAARN CCOCc1ccccc1CNC(=O)c1cn(C)c2ccccc12 ZINC000030509258 563436965 /nfs/dbraw/zinc/43/69/65/563436965.db2.gz LTHXEPMTZMXXTH-UHFFFAOYSA-N 0 0 322.408 3.645 50 0 DHAARN Cc1ccc(NC(=O)c2ccccc2F)cc1NC(=O)C1CC1 ZINC000030831176 563438700 /nfs/dbraw/zinc/43/87/00/563438700.db2.gz LSZGYUIQUWPNTM-UHFFFAOYSA-N 0 0 312.344 3.735 50 0 DHAARN COc1cc(C)cc2c(C)c(C(=O)OCc3ccccn3)oc21 ZINC000072295236 563439827 /nfs/dbraw/zinc/43/98/27/563439827.db2.gz XZXGHCIFIDPDLT-UHFFFAOYSA-N 0 0 311.337 3.810 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1 ZINC000031904008 563441111 /nfs/dbraw/zinc/44/11/11/563441111.db2.gz CIOMVLFZWXLXRT-UHFFFAOYSA-N 0 0 314.410 3.507 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)c1noc2c1CCCCC2 ZINC000032093585 563441464 /nfs/dbraw/zinc/44/14/64/563441464.db2.gz GPIAOYVBIWMGMG-CQSZACIVSA-N 0 0 312.413 3.695 50 0 DHAARN Cc1ccc(NC[C@H](O)c2ccc(Br)cc2)cc1 ZINC000032204765 563441925 /nfs/dbraw/zinc/44/19/25/563441925.db2.gz IKZNHEBRGOQSNY-HNNXBMFYSA-N 0 0 306.203 3.903 50 0 DHAARN Cc1cccc(C[C@H](C)n2cnc3cc(Cl)ccc3c2=O)n1 ZINC000032558393 563442742 /nfs/dbraw/zinc/44/27/42/563442742.db2.gz MVQHDDMAZPPRNZ-LBPRGKRZSA-N 0 0 313.788 3.557 50 0 DHAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCC3=O)c(C)c1 ZINC000011100638 563444951 /nfs/dbraw/zinc/44/49/51/563444951.db2.gz WSRCCZGQGLMBRQ-AWEZNQCLSA-N 0 0 323.392 3.838 50 0 DHAARN CCC(=O)Nc1nc2c(cc(NC(=O)CC(C)C)cc2C)s1 ZINC000032961328 563446138 /nfs/dbraw/zinc/44/61/38/563446138.db2.gz LJRLVYXBGGEMOQ-UHFFFAOYSA-N 0 0 319.430 3.938 50 0 DHAARN CCC(=O)Nc1nc2ccc(NC(=O)CC(C)C)cc2s1 ZINC000032961165 563446385 /nfs/dbraw/zinc/44/63/85/563446385.db2.gz AWFUNRMCRSDILH-UHFFFAOYSA-N 0 0 305.403 3.629 50 0 DHAARN O=S(=O)(c1ccccc1)c1ccc(NCc2ccco2)cc1 ZINC000000146278 563446824 /nfs/dbraw/zinc/44/68/24/563446824.db2.gz MUDQOYDXSZEKNB-UHFFFAOYSA-N 0 0 313.378 3.725 50 0 DHAARN COc1ccc(CN(CC[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000000102357 563446847 /nfs/dbraw/zinc/44/68/47/563446847.db2.gz OEFONZDTNCUOMA-MRXNPFEDSA-N 0 0 319.445 3.639 50 0 biogenic DHAARN CCOc1cccc(C(=O)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000000338180 563447569 /nfs/dbraw/zinc/44/75/69/563447569.db2.gz DPXBKEXXUXUPHQ-GOSISDBHSA-N 0 0 310.397 3.848 50 0 biogenic DHAARN CCOc1ccccc1OCCOCCOc1ccccc1F ZINC000002984110 563449599 /nfs/dbraw/zinc/44/95/99/563449599.db2.gz AYRBEIRLYNANIU-UHFFFAOYSA-N 0 0 320.360 3.699 50 0 DHAARN Cc1nnc(SCCOc2ccc(Cl)c(C)c2)s1 ZINC000004702036 563449774 /nfs/dbraw/zinc/44/97/74/563449774.db2.gz OURFUHFBFAXIQJ-UHFFFAOYSA-N 0 0 300.836 3.979 50 0 DHAARN CCOc1ccc(-c2nc(C(=O)N(C)CC)cs2)c(Cl)c1 ZINC000034713107 563451233 /nfs/dbraw/zinc/45/12/33/563451233.db2.gz RAMPSAWNRMSRRR-UHFFFAOYSA-N 0 0 324.833 3.954 50 0 DHAARN CCOc1ccccc1C=C1NC(=S)N(c2ccccc2)C1=O ZINC000034927061 563451815 /nfs/dbraw/zinc/45/18/15/563451815.db2.gz QSPSENYWAQEIAB-NTCAYCPXSA-N 0 0 324.405 3.759 50 0 DHAARN C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccccc1 ZINC000072311607 563451902 /nfs/dbraw/zinc/45/19/02/563451902.db2.gz BGXRPPIXKROVQC-ZDUSSCGKSA-N 0 0 318.367 3.514 50 0 DHAARN O=C(Cc1ccccc1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000036357742 563454591 /nfs/dbraw/zinc/45/45/91/563454591.db2.gz BTGZREDMUWKIPU-UHFFFAOYSA-N 0 0 319.286 3.763 50 0 DHAARN COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1C ZINC000036567666 563455409 /nfs/dbraw/zinc/45/54/09/563455409.db2.gz XGLDVCADXYUITE-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN COc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1 ZINC000036567560 563455507 /nfs/dbraw/zinc/45/55/07/563455507.db2.gz UCORMAKGKOMTLX-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN CO[C@H](CNC(=O)c1ccc(Cl)s1)c1ccsc1 ZINC000096097380 563456933 /nfs/dbraw/zinc/45/69/33/563456933.db2.gz BPIQIARYPAVTKS-SECBINFHSA-N 0 0 301.820 3.581 50 0 DHAARN COC(=O)c1cc2c(nc(-c3ccco3)cc2C(F)(F)F)[nH]1 ZINC000037593665 563457925 /nfs/dbraw/zinc/45/79/25/563457925.db2.gz IFFFBUGNMCTIFU-UHFFFAOYSA-N 0 0 310.231 3.628 50 0 DHAARN Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccccc2)n1 ZINC000013495381 563458988 /nfs/dbraw/zinc/45/89/88/563458988.db2.gz VNHBRRWBCYIIFF-CYBMUJFWSA-N 0 0 307.353 3.536 50 0 DHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000071818743 563460662 /nfs/dbraw/zinc/46/06/62/563460662.db2.gz FVNYWFPVBRKEGN-OAHLLOKOSA-N 0 0 322.330 3.940 50 0 DHAARN CCc1csc(-c2ccc(CNC(=O)c3ccoc3)cc2)n1 ZINC000097938097 563461010 /nfs/dbraw/zinc/46/10/10/563461010.db2.gz ZDSRZLAEZQOMSJ-UHFFFAOYSA-N 0 0 312.394 3.896 50 0 DHAARN O=C(Nc1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000041173571 563461193 /nfs/dbraw/zinc/46/11/93/563461193.db2.gz GUBYNFFRVDJEFR-MRXNPFEDSA-N 0 0 316.788 3.945 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044913165 563464428 /nfs/dbraw/zinc/46/44/28/563464428.db2.gz YEXCJNOWQQUQOZ-OAHLLOKOSA-N 0 0 317.392 3.523 50 0 DHAARN CCc1noc(C)c1C(=O)OCc1ccc(OC)cc1Cl ZINC000072314193 563466014 /nfs/dbraw/zinc/46/60/14/563466014.db2.gz QAIJASROIPXYIR-UHFFFAOYSA-N 0 0 309.749 3.564 50 0 DHAARN COCCN(C(=S)Nc1ccc(C)cc1)[C@@H](C)c1ccco1 ZINC000013543355 563466276 /nfs/dbraw/zinc/46/62/76/563466276.db2.gz SRPYFKYTLHFYCW-AWEZNQCLSA-N 0 0 318.442 3.994 50 0 DHAARN O=C(NCCC1=CCCCC1)c1noc2c1COc1ccccc1-2 ZINC000033028783 563468030 /nfs/dbraw/zinc/46/80/30/563468030.db2.gz DFQMFVJWVKVUMX-UHFFFAOYSA-N 0 0 324.380 3.854 50 0 DHAARN O=C(OCc1ncc(-c2ccccc2)o1)c1c(F)cccc1F ZINC000011127919 563468964 /nfs/dbraw/zinc/46/89/64/563468964.db2.gz BPLVRZIBLKFWKX-UHFFFAOYSA-N 0 0 315.275 3.977 50 0 DHAARN COc1cccc(CN2CCN(c3ccccc3Cl)CC2)c1 ZINC000053059164 563469550 /nfs/dbraw/zinc/46/95/50/563469550.db2.gz WLNZURIVIXXICT-UHFFFAOYSA-N 0 0 316.832 3.671 50 0 DHAARN CC/C=C/CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C ZINC000055042427 563470646 /nfs/dbraw/zinc/47/06/46/563470646.db2.gz LJWSZLFCNMGUQR-BQYQJAHWSA-N 0 0 302.418 3.818 50 0 DHAARN CC(C)CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccn1 ZINC000055042679 563471127 /nfs/dbraw/zinc/47/11/27/563471127.db2.gz URPWHTVYGPPSPL-UHFFFAOYSA-N 0 0 300.450 3.760 50 0 DHAARN CC[C@@H](C)N(C(=O)c1coc2c1C(=O)CCC2)C1CCCC1 ZINC000055132540 563471977 /nfs/dbraw/zinc/47/19/77/563471977.db2.gz BNMQSLFKIMSPCK-GFCCVEGCSA-N 0 0 303.402 3.982 50 0 DHAARN CCc1cc([C@@H](C)NCc2c[nH]nc2-c2ccc(F)cc2)on1 ZINC000055132111 563471983 /nfs/dbraw/zinc/47/19/83/563471983.db2.gz CXESLAPFLBBJSR-LLVKDONJSA-N 0 0 314.364 3.617 50 0 DHAARN CC[C@@H](c1ccc(OC)cc1)N(CC)C(=O)c1cccn1C ZINC000055131742 563471988 /nfs/dbraw/zinc/47/19/88/563471988.db2.gz USYFAPGNKXSKBD-INIZCTEOSA-N 0 0 300.402 3.647 50 0 DHAARN Cc1ccc(C)c(OCC(=O)N(C)[C@@H](C)c2nccs2)c1C ZINC000055118795 563472044 /nfs/dbraw/zinc/47/20/44/563472044.db2.gz YUMAGZKFTVLGHY-AWEZNQCLSA-N 0 0 318.442 3.667 50 0 DHAARN Cc1ccnc(C[C@H](C)N(C)C(=O)Cc2c[nH]c3ccccc23)c1 ZINC000055253631 563472560 /nfs/dbraw/zinc/47/25/60/563472560.db2.gz OOMOAZWULHAAKW-HNNXBMFYSA-N 0 0 321.424 3.503 50 0 DHAARN Cc1ccoc1C(=O)N(Cc1nccs1)Cc1ccccc1 ZINC000055242221 563472565 /nfs/dbraw/zinc/47/25/65/563472565.db2.gz YRYOINWHMRQMHR-UHFFFAOYSA-N 0 0 312.394 3.887 50 0 DHAARN CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccc(CO)cc1 ZINC000055255438 563472782 /nfs/dbraw/zinc/47/27/82/563472782.db2.gz PLJCUFMTYBVOAZ-ZDUSSCGKSA-N 0 0 303.427 3.681 50 0 DHAARN COCc1ccc(C(=O)N(Cc2ccco2)[C@@H](C)C(C)C)o1 ZINC000055211553 563472931 /nfs/dbraw/zinc/47/29/31/563472931.db2.gz UIXUBYKRRYTVBD-ZDUSSCGKSA-N 0 0 305.374 3.706 50 0 DHAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)c1cc(C(C)C)on1 ZINC000055211287 563472971 /nfs/dbraw/zinc/47/29/71/563472971.db2.gz YLIVGOXMYGNWPZ-CYBMUJFWSA-N 0 0 301.390 3.634 50 0 DHAARN CCc1ncc(C(=O)N(Cc2sccc2C)[C@H](C)CC)cn1 ZINC000055271785 563473808 /nfs/dbraw/zinc/47/38/08/563473808.db2.gz QDISJEDKUJOJPW-CYBMUJFWSA-N 0 0 317.458 3.850 50 0 DHAARN CCCN(Cc1cccc(Cl)c1)C(=O)C[C@@H](C)n1cccn1 ZINC000055284479 563473976 /nfs/dbraw/zinc/47/39/76/563473976.db2.gz MZDCYTOAKUIWAP-CQSZACIVSA-N 0 0 319.836 3.926 50 0 DHAARN Cc1c[nH]c(CN(C)C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)n1 ZINC000055358342 563474414 /nfs/dbraw/zinc/47/44/14/563474414.db2.gz ZHDIQZXHSRUIKN-KOCGSPDRSA-N 0 0 315.461 3.673 50 0 DHAARN CC[C@@H](C)N(C(=O)Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000055327989 563474478 /nfs/dbraw/zinc/47/44/78/563474478.db2.gz AERLESVMHKFQSO-CYBMUJFWSA-N 0 0 303.402 3.528 50 0 DHAARN CCN(C/C=C/c1ccccc1)C(=O)Cc1ccccc1OC ZINC000055343676 563474499 /nfs/dbraw/zinc/47/44/99/563474499.db2.gz WKSMCHYOQQYCIF-FMIVXFBMSA-N 0 0 309.409 3.800 50 0 DHAARN CCCN(Cc1cccnc1)C(=O)c1nccc2ccccc21 ZINC000055414127 563475615 /nfs/dbraw/zinc/47/56/15/563475615.db2.gz NNXMXCHMPITWOO-UHFFFAOYSA-N 0 0 305.381 3.682 50 0 DHAARN CNc1ncccc1CN(Cc1nccs1)Cc1ccccc1 ZINC000055413673 563475686 /nfs/dbraw/zinc/47/56/86/563475686.db2.gz YDBXLBYXFFRHJQ-UHFFFAOYSA-N 0 0 324.453 3.782 50 0 DHAARN Cn1[nH]c(C2CC2)c2nc(-c3ccccc3OC(F)(F)F)nc1-2 ZINC000055405024 563475718 /nfs/dbraw/zinc/47/57/18/563475718.db2.gz IJNJFPPBYHTHFR-UHFFFAOYSA-N 0 0 322.290 3.739 50 0 DHAARN O=C(NC1CCCCCCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000058368294 563478573 /nfs/dbraw/zinc/47/85/73/563478573.db2.gz OSKSPMWDGOWQHV-KRWDZBQOSA-N 0 0 318.392 3.548 50 0 DHAARN COc1cc(OC)cc(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC000058368922 563478749 /nfs/dbraw/zinc/47/87/49/563478749.db2.gz ADPWLZPJLFLNDU-UHFFFAOYSA-N 0 0 317.429 3.887 50 0 DHAARN Cc1ccc(C[C@H](C)NC(=O)N(C)[C@@H](C)c2ccccn2)s1 ZINC000096415583 563480976 /nfs/dbraw/zinc/48/09/76/563480976.db2.gz XONAYBRHUURQFK-JSGCOSHPSA-N 0 0 317.458 3.785 50 0 DHAARN Cc1ccc(C[C@@H](C)NC(=O)N(C)[C@@H](C)c2ccncc2)s1 ZINC000096415586 563481193 /nfs/dbraw/zinc/48/11/93/563481193.db2.gz OEFDHVXMDRNHFK-OCCSQVGLSA-N 0 0 317.458 3.785 50 0 DHAARN COc1cccc(-c2cnc(CSC3=NCCS3)o2)c1 ZINC000096424803 563481273 /nfs/dbraw/zinc/48/12/73/563481273.db2.gz BAAPSNYTHCODJI-UHFFFAOYSA-N 0 0 306.412 3.686 50 0 DHAARN O=C(CC1CCOCC1)Nc1cccc(Oc2ccccn2)c1 ZINC000096433212 563482210 /nfs/dbraw/zinc/48/22/10/563482210.db2.gz SUUKKNYWWDHXEX-UHFFFAOYSA-N 0 0 312.369 3.629 50 0 DHAARN CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(F)cc1 ZINC000096455440 563482804 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563508994 /nfs/dbraw/zinc/50/89/94/563508994.db2.gz RPTGTEAMQVRGAN-UHFFFAOYSA-N 0 0 306.822 3.920 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(-n3ccnc3C3CC3)cc2)co1 ZINC000077353350 563509385 /nfs/dbraw/zinc/50/93/85/563509385.db2.gz JBIASAYJLSQBAU-UHFFFAOYSA-N 0 0 307.353 3.903 50 0 DHAARN O=C(Cc1ccccc1)Nc1cccc(-n2ccnc2C2CC2)c1 ZINC000077407741 563510198 /nfs/dbraw/zinc/51/01/98/563510198.db2.gz BOHHNPUKUKMOAW-UHFFFAOYSA-N 0 0 317.392 3.931 50 0 DHAARN COc1ccc(OC[C@H]2CCCN(c3nc(C)cs3)C2)cc1 ZINC000077504035 563510610 /nfs/dbraw/zinc/51/06/10/563510610.db2.gz WMPKKFPBIKGMCB-AWEZNQCLSA-N 0 0 318.442 3.756 50 0 DHAARN Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077504371 563510912 /nfs/dbraw/zinc/51/09/12/563510912.db2.gz HDYMJHATDYRZGM-KRWDZBQOSA-N 0 0 316.376 3.727 50 0 DHAARN COc1ccnc(CN2CCCCC[C@@H]2c2ccco2)c1OC ZINC000077504019 563511092 /nfs/dbraw/zinc/51/10/92/563511092.db2.gz YCFRACWKEXTVGA-OAHLLOKOSA-N 0 0 316.401 3.809 50 0 DHAARN COCC1(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000077523051 563511512 /nfs/dbraw/zinc/51/15/12/563511512.db2.gz SAUFVDXUMXNBFQ-INIZCTEOSA-N 0 0 305.393 3.696 50 0 DHAARN O=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc(Cl)cc12 ZINC000000049570 563512394 /nfs/dbraw/zinc/51/23/94/563512394.db2.gz FIBFCFXKLQHQRC-UHFFFAOYSA-N 0 0 314.724 3.885 50 0 DHAARN C[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 ZINC000097234410 563514542 /nfs/dbraw/zinc/51/45/42/563514542.db2.gz GCWAVGBKHZGBPO-JSGCOSHPSA-N 0 0 318.446 3.512 50 0 DHAARN Cc1ccc(C(=O)NC2CC2)cc1N[C@H](C)c1ccc(F)cn1 ZINC000097232005 563514878 /nfs/dbraw/zinc/51/48/78/563514878.db2.gz BIKWGNQPIWRGOI-GFCCVEGCSA-N 0 0 313.376 3.594 50 0 DHAARN C[C@@H]1CCCCN1C(=O)NCCCc1nc2ccccc2s1 ZINC000072483978 563515812 /nfs/dbraw/zinc/51/58/12/563515812.db2.gz PZUCUQAJGUHUTE-CYBMUJFWSA-N 0 0 317.458 3.813 50 0 DHAARN Fc1cccc(Cl)c1CSc1nnnn1-c1ccccc1 ZINC000000067008 563517591 /nfs/dbraw/zinc/51/75/91/563517591.db2.gz ZAFBCXBJOMVJBE-UHFFFAOYSA-N 0 0 320.780 3.747 50 0 DHAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 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/nfs/dbraw/zinc/53/01/01/563530101.db2.gz IGWDCTVJARKBAD-UHFFFAOYSA-N 0 0 304.440 3.653 50 0 DHAARN CCCN(C(=O)[C@@H](c1ccc(F)cc1)N(C)C)C1CCCC1 ZINC000095383352 563530120 /nfs/dbraw/zinc/53/01/20/563530120.db2.gz KJCXLIMMUMVFIF-QGZVFWFLSA-N 0 0 306.425 3.610 50 0 DHAARN O=C(C[C@@H]1C=CCC1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000011535073 563530506 /nfs/dbraw/zinc/53/05/06/563530506.db2.gz BAKRQIBWBFNGRV-CQSZACIVSA-N 0 0 324.380 3.504 50 0 DHAARN Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CCO4)CC3)c2c1 ZINC000095503867 563530856 /nfs/dbraw/zinc/53/08/56/563530856.db2.gz VTJWBFVBYMDKKA-UHFFFAOYSA-N 0 0 324.424 3.555 50 0 DHAARN CCOC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000000095091 563531476 /nfs/dbraw/zinc/53/14/76/563531476.db2.gz QWOREVAINGOWBO-UHFFFAOYSA-N 0 0 300.383 3.881 50 0 DHAARN O=C(NCCC[C@H]1CCOC1)Nc1ccccc1C(F)(F)F ZINC000096133728 563533571 /nfs/dbraw/zinc/53/35/71/563533571.db2.gz RVBZYPXYAOYITF-NSHDSACASA-N 0 0 316.323 3.644 50 0 DHAARN CCn1nc(C2CCOCC2)nc1-c1cc(-c2ccccc2)on1 ZINC000096141338 563533858 /nfs/dbraw/zinc/53/38/58/563533858.db2.gz UKPXUWKEUSTGQU-UHFFFAOYSA-N 0 0 324.384 3.514 50 0 DHAARN CSC[C@H]1CCCN(C(=O)c2cc(C)nc3ccccc32)C1 ZINC000096141467 563534024 /nfs/dbraw/zinc/53/40/24/563534024.db2.gz VIGXNBCPUWEZOS-AWEZNQCLSA-N 0 0 314.454 3.758 50 0 DHAARN Cc1nn(C)c2nc(N[C@H](c3cc(C)ccn3)C3CC3)sc12 ZINC000096147820 563534033 /nfs/dbraw/zinc/53/40/33/563534033.db2.gz XNFPPTMAZBUOPA-ZDUSSCGKSA-N 0 0 313.430 3.605 50 0 DHAARN O=C(Nc1ccc(OC(F)F)cc1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000096138984 563534225 /nfs/dbraw/zinc/53/42/25/563534225.db2.gz XJVJIOLALPCERS-HGSJOUDDSA-N 0 0 322.355 3.798 50 0 DHAARN COCCC[C@H]1CCCN(C(=O)Nc2ccc(C)cc2F)C1 ZINC000096140103 563534256 /nfs/dbraw/zinc/53/42/56/563534256.db2.gz MFOFSBVIWYPORE-CQSZACIVSA-N 0 0 308.397 3.805 50 0 DHAARN CCc1ccc2c(c1)c1nnc(=S)[nH]c1n2Cc1ccccc1 ZINC000096319318 563536449 /nfs/dbraw/zinc/53/64/49/563536449.db2.gz CXKGESHURZQGDJ-UHFFFAOYSA-N 0 0 320.421 3.879 50 0 DHAARN COc1ccc(-c2cc(COC(=O)c3cccs3)no2)cc1 ZINC000011613675 563537543 /nfs/dbraw/zinc/53/75/43/563537543.db2.gz SEJPSCKBDNHFNH-UHFFFAOYSA-N 0 0 315.350 3.769 50 0 DHAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1ccccc1-c1ncc[nH]1 ZINC000097213199 563537766 /nfs/dbraw/zinc/53/77/66/563537766.db2.gz SODOTYBFTVXJCU-KRWDZBQOSA-N 0 0 320.396 3.695 50 0 DHAARN CCOCCOc1ccccc1NC(=O)N1CC=C[C@H]1C(C)C ZINC000097551427 563540139 /nfs/dbraw/zinc/54/01/39/563540139.db2.gz JEDKOUCNHPGBQM-INIZCTEOSA-N 0 0 318.417 3.530 50 0 DHAARN COc1ccc([C@]2(C(=O)NCc3ccsc3)CC2(C)C)cc1 ZINC000097601014 563540382 /nfs/dbraw/zinc/54/03/82/563540382.db2.gz XRQCGVAWXNFNFR-SFHVURJKSA-N 0 0 315.438 3.741 50 0 DHAARN COCC(C)(C)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000097711731 563541712 /nfs/dbraw/zinc/54/17/12/563541712.db2.gz AFSQEHGIMLREQI-JTQLQIEISA-N 0 0 303.324 3.555 50 0 DHAARN CC(C)=CCC/C(C)=C/CNC(=O)Nc1cccc(C(N)=O)c1 ZINC000097729978 563542024 /nfs/dbraw/zinc/54/20/24/563542024.db2.gz HISQOOMGFBTFDM-GXDHUFHOSA-N 0 0 315.417 3.600 50 0 DHAARN CCc1cc(Cl)ccc1NC(=O)N1CCCCC[C@@H]1CO ZINC000097819717 563542354 /nfs/dbraw/zinc/54/23/54/563542354.db2.gz CJPFUXUMVJWUMO-CQSZACIVSA-N 0 0 310.825 3.671 50 0 DHAARN Cc1nc2[nH]c3ccccc3n2c(=O)c1Cc1ccc(Cl)cc1 ZINC000100129232 563546492 /nfs/dbraw/zinc/54/64/92/563546492.db2.gz NNNYIJUISKTQGD-UHFFFAOYSA-N 0 0 323.783 3.728 50 0 DHAARN CCOc1cccc(C[C@H]2c3cccc(C)c3NC2=O)c1OC ZINC000101016096 563555573 /nfs/dbraw/zinc/55/55/73/563555573.db2.gz FRVQTHVCKDOEJN-HNNXBMFYSA-N 0 0 311.381 3.681 50 0 DHAARN CN(C)c1ccc(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101013973 563555787 /nfs/dbraw/zinc/55/57/87/563555787.db2.gz IWXREDHWWQDSHO-HNNXBMFYSA-N 0 0 300.789 3.684 50 0 DHAARN COc1ccc(Cl)cc1C[C@H]1c2ccccc2N(C)C1=O ZINC000101013937 563555930 /nfs/dbraw/zinc/55/59/30/563555930.db2.gz JFKONFJORWAYSP-AWEZNQCLSA-N 0 0 301.773 3.651 50 0 DHAARN O=C(NC1CC1)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000014167149 563560560 /nfs/dbraw/zinc/56/05/60/563560560.db2.gz AUHRYYIGSGOXIY-MRXNPFEDSA-N 0 0 301.386 3.938 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)C2CCCC2)c(C)c1 ZINC000014228772 563564307 /nfs/dbraw/zinc/56/43/07/563564307.db2.gz AKURGNWJNSUVLF-AWEZNQCLSA-N 0 0 303.402 3.672 50 0 DHAARN C[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000072314209 563566790 /nfs/dbraw/zinc/56/67/90/563566790.db2.gz JIQDKWZCXROQCK-LBPRGKRZSA-N 0 0 322.330 3.563 50 0 DHAARN Cc1sc2ncn3cnnc3c2c1-c1ccc(Cl)cc1 ZINC000000102350 563566966 /nfs/dbraw/zinc/56/69/66/563566966.db2.gz IUOYTRVGOVSDNU-UHFFFAOYSA-N 0 0 300.774 3.968 50 0 DHAARN CC1=CC[C@@H]2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)[C@@H]2C1 ZINC000100174066 563569697 /nfs/dbraw/zinc/56/96/97/563569697.db2.gz ZZNPGQANDYFMNC-NNKBYLESSA-N 0 0 313.441 3.544 50 0 DHAARN Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccc(Cl)cc1 ZINC000000117097 563571043 /nfs/dbraw/zinc/57/10/43/563571043.db2.gz UPKMMWQBGWXLHN-UHFFFAOYSA-N 0 0 323.787 3.960 50 0 aggregator DHAARN COC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000000140836 563572856 /nfs/dbraw/zinc/57/28/56/563572856.db2.gz RVJTZWRABIJLSI-UHFFFAOYSA-N 0 0 323.270 3.744 50 0 DHAARN CCOc1ccc(-c2c(C)sc3ncn(CC)c(=O)c32)cc1 ZINC000000148884 563573248 /nfs/dbraw/zinc/57/32/48/563573248.db2.gz CRJDRYBWUVGIIM-UHFFFAOYSA-N 0 0 314.410 3.852 50 0 DHAARN O=C(COC(=O)c1cccs1)Nc1cccc2ccccc21 ZINC000000149200 563573374 /nfs/dbraw/zinc/57/33/74/563573374.db2.gz MDQNADHGBSEVGR-UHFFFAOYSA-N 0 0 311.362 3.697 50 0 DHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)cc1 ZINC000000171351 563574496 /nfs/dbraw/zinc/57/44/96/563574496.db2.gz TUGNTIFUYCUODJ-UHFFFAOYSA-N 0 0 307.275 3.732 50 0 DHAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1Cl ZINC000000176615 563575233 /nfs/dbraw/zinc/57/52/33/563575233.db2.gz XKKQDXLIDJVAQQ-ZROIWOOFSA-N 0 0 301.704 3.824 50 0 DHAARN Cc1ccc2c(Cl)c(C(=O)NC[C@H]3CCCO3)sc2c1 ZINC000000186007 563575976 /nfs/dbraw/zinc/57/59/76/563575976.db2.gz LAOCYNSMGHHRAH-SNVBAGLBSA-N 0 0 309.818 3.772 50 0 DHAARN Cc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000000192861 563577415 /nfs/dbraw/zinc/57/74/15/563577415.db2.gz WAYMIPNROXDZMZ-UHFFFAOYSA-N 0 0 322.183 3.987 50 0 DHAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)OC(=O)C2 ZINC000000207155 563578078 /nfs/dbraw/zinc/57/80/78/563578078.db2.gz KYWVTUZLEGHSQS-IBGZPJMESA-N 0 0 312.365 3.673 50 0 biogenic DHAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCCC1 ZINC000000217799 563579263 /nfs/dbraw/zinc/57/92/63/563579263.db2.gz BFVACIPUTIKBNM-UHFFFAOYSA-N 0 0 303.365 3.533 50 0 DHAARN C[C@@H](Cc1ccsc1)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000050156609 563579828 /nfs/dbraw/zinc/57/98/28/563579828.db2.gz WJNGWXBVJIEHIR-XJKSGUPXSA-N 0 0 315.442 3.621 50 0 DHAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(C)=O)c1ccccc1 ZINC000000246558 563581858 /nfs/dbraw/zinc/58/18/58/563581858.db2.gz BKRDBLIVHFVAGJ-LJQANCHMSA-N 0 0 316.445 3.657 50 0 DHAARN Cc1cnc(NC(=O)Nc2ccc(Br)cc2)s1 ZINC000000253559 563583135 /nfs/dbraw/zinc/58/31/35/563583135.db2.gz XNAYILAXKUTSGS-UHFFFAOYSA-N 0 0 312.192 3.858 50 0 DHAARN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCCCC1 ZINC000000263825 563583385 /nfs/dbraw/zinc/58/33/85/563583385.db2.gz WWTHZWQDHGXSFI-UHFFFAOYSA-N 0 0 309.818 3.668 50 0 DHAARN CCc1cccc(NC(=O)Cn2cc(C=O)c3ccccc32)c1 ZINC000000264098 563583401 /nfs/dbraw/zinc/58/34/01/563583401.db2.gz AZZHMNPMHVCPJV-UHFFFAOYSA-N 0 0 306.365 3.655 50 0 DHAARN O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(C(F)(F)F)cc1 ZINC000000269327 563583639 /nfs/dbraw/zinc/58/36/39/563583639.db2.gz MBFPJEVYHYKFKZ-UHFFFAOYSA-N 0 0 321.254 3.628 50 0 DHAARN Cc1ccc(C[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000000277699 563584890 /nfs/dbraw/zinc/58/48/90/563584890.db2.gz FJFAARYSCCJBPB-KRWDZBQOSA-N 0 0 307.393 3.734 50 0 DHAARN COc1c2occc2c(OC)c2c(=O)cc(C(F)(F)F)oc12 ZINC000000306064 563586916 /nfs/dbraw/zinc/58/69/16/563586916.db2.gz NSYPJSPCYBZGJP-UHFFFAOYSA-N 0 0 314.215 3.575 50 0 biogenic DHAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12 ZINC000000317345 563587922 /nfs/dbraw/zinc/58/79/22/563587922.db2.gz ZZVVMTCXBQPGSO-UHFFFAOYSA-N 0 0 312.321 3.866 50 0 DHAARN CCCC(C)(C)NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000050498002 563588720 /nfs/dbraw/zinc/58/87/20/563588720.db2.gz MKEZNDZZDDHFEU-UHFFFAOYSA-N 0 0 300.402 3.969 50 0 DHAARN c1ccc(-c2cc(-c3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000000353333 563590001 /nfs/dbraw/zinc/59/00/01/563590001.db2.gz YUFMCTBRMVCAIY-UHFFFAOYSA-N 0 0 317.392 3.647 50 0 DHAARN Cc1cc(C)n2cc(COc3ccc(Cl)cc3C)nc2n1 ZINC000000352700 563590019 /nfs/dbraw/zinc/59/00/19/563590019.db2.gz QVVVIUACTJDGTR-UHFFFAOYSA-N 0 0 301.777 3.887 50 0 DHAARN COc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000000354637 563590041 /nfs/dbraw/zinc/59/00/41/563590041.db2.gz NSJCEBWUTMEBIZ-GDNBJRDFSA-N 0 0 313.740 3.693 50 0 DHAARN O=[N+]([O-])C(=C(Cl)C(Cl)Cl)c1nc2ccccc2o1 ZINC000100472871 563594155 /nfs/dbraw/zinc/59/41/55/563594155.db2.gz REFFNUIWWSTIBH-NTMALXAHSA-N 0 0 307.520 3.822 50 0 DHAARN CN(C[C@H]1CCCCO1)C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000119472565 563594713 /nfs/dbraw/zinc/59/47/13/563594713.db2.gz YAEOIRJMSOPXJT-MRXNPFEDSA-N 0 0 321.848 3.789 50 0 DHAARN COc1ccc2c(CC(=O)N[C@H]3[C@H](C)CCC[C@@H]3C)coc2c1 ZINC000247972589 563599004 /nfs/dbraw/zinc/59/90/04/563599004.db2.gz VDLDACQEEWBNCD-WURKVNMJSA-N 0 0 315.413 3.925 50 0 DHAARN Cn1ccc2c1cccc2C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000248029168 563599625 /nfs/dbraw/zinc/59/96/25/563599625.db2.gz NUJOAJJIMYJXCI-GOSISDBHSA-N 0 0 319.408 3.941 50 0 DHAARN CC[C@@H](C)NC(=O)CSc1cc(C)c2cccc(OC)c2n1 ZINC000011907547 563600976 /nfs/dbraw/zinc/60/09/76/563600976.db2.gz UVGKVFJPIMSLAQ-GFCCVEGCSA-N 0 0 318.442 3.559 50 0 DHAARN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccccc1F ZINC000011913749 563601372 /nfs/dbraw/zinc/60/13/72/563601372.db2.gz YWYRYFRLNCMEQT-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN CC(=O)c1c(C)cccc1NCc1nnc(C2CC2)n1C1CC1 ZINC000125169201 563602305 /nfs/dbraw/zinc/60/23/05/563602305.db2.gz WGYAGVVHPNCICK-UHFFFAOYSA-N 0 0 310.401 3.614 50 0 DHAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2onc3c2CCCC3)c1 ZINC000011915000 563602311 /nfs/dbraw/zinc/60/23/11/563602311.db2.gz HLEOREXGSYMSKU-CYBMUJFWSA-N 0 0 314.385 3.576 50 0 DHAARN Cc1cc(NC(=O)c2c(F)cccc2Br)ccn1 ZINC000176638236 563602940 /nfs/dbraw/zinc/60/29/40/563602940.db2.gz IJUZMDQUVKDZSI-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN Cc1nc(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)cs1 ZINC000050767735 563603771 /nfs/dbraw/zinc/60/37/71/563603771.db2.gz FZRSVXXNSZLPLD-MRXNPFEDSA-N 0 0 314.454 3.855 50 0 DHAARN C[C@]1(C[S@@](=O)C[C@]2(C)CC2(Cl)Cl)CC1(Cl)Cl ZINC000251138141 563610002 /nfs/dbraw/zinc/61/00/02/563610002.db2.gz IOHDZIQKXXHESD-JWEVAZEWSA-N 0 0 324.100 3.903 50 0 DHAARN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000000127387 563610535 /nfs/dbraw/zinc/61/05/35/563610535.db2.gz XPVORDOKNBZFBQ-UHFFFAOYSA-N 0 0 302.333 3.954 50 0 DHAARN COc1ccccc1-n1c(=O)c2ccccc2nc1-c1ccco1 ZINC000000127398 563610591 /nfs/dbraw/zinc/61/05/91/563610591.db2.gz ZWRZZSWQUBLTOC-UHFFFAOYSA-N 0 0 318.332 3.654 50 0 DHAARN O=C(Nc1cnc2ccccc2c1)c1cc2ccccc2oc1=O ZINC000000418395 563611681 /nfs/dbraw/zinc/61/16/81/563611681.db2.gz KZPGKHWIHKIQQR-UHFFFAOYSA-N 0 0 316.316 3.594 50 0 DHAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 ZINC000000423760 563612256 /nfs/dbraw/zinc/61/22/56/563612256.db2.gz JFRGTGQQSOEURZ-MRXNPFEDSA-N 0 0 303.358 3.613 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1noc2c1CCCC2 ZINC000000426342 563613256 /nfs/dbraw/zinc/61/32/56/563613256.db2.gz WVYMMQPMRCDNGY-UHFFFAOYSA-N 0 0 310.275 3.825 50 0 DHAARN CC[C@@H](NC(=O)N1CCC[C@@](C)(OC)CC1)c1cccs1 ZINC000253429071 563613987 /nfs/dbraw/zinc/61/39/87/563613987.db2.gz OJILGRGIYHEQAJ-CZUORRHYSA-N 0 0 310.463 3.800 50 0 DHAARN CCCOc1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)cc1 ZINC000253536804 563614026 /nfs/dbraw/zinc/61/40/26/563614026.db2.gz AKROKDWVMFXCNH-UHFFFAOYSA-N 0 0 322.364 3.982 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000179128534 563615781 /nfs/dbraw/zinc/61/57/81/563615781.db2.gz SDIDUKRIVIUGCM-UHFFFAOYSA-N 0 0 312.377 3.601 50 0 DHAARN Cc1ccc(C)c(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 ZINC000000325387 563616201 /nfs/dbraw/zinc/61/62/01/563616201.db2.gz JSOOWXBGFFFLLE-MHWRWJLKSA-N 0 0 322.320 3.556 50 0 DHAARN CC(C)c1nc([C@@H]2CCCN2Cc2nc3ccccc3o2)no1 ZINC000075581749 563616999 /nfs/dbraw/zinc/61/69/99/563616999.db2.gz QJJZYJUTOQNNAT-ZDUSSCGKSA-N 0 0 312.373 3.671 50 0 DHAARN CC(=O)Nc1nc(C(=O)N(CCC(C)C)C2CCCC2)cs1 ZINC000078716645 563617933 /nfs/dbraw/zinc/61/79/33/563617933.db2.gz REHHZKSBDMCMID-UHFFFAOYSA-N 0 0 323.462 3.532 50 0 DHAARN Cc1nc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)sc1C ZINC000206587451 563620290 /nfs/dbraw/zinc/62/02/90/563620290.db2.gz DBJIXKZNJQRAGY-UHFFFAOYSA-N 0 0 317.345 3.806 50 0 DHAARN O=C(COc1cc(Cl)ccc1Cl)NCc1cccs1 ZINC000002630416 563621399 /nfs/dbraw/zinc/62/13/99/563621399.db2.gz RMOXLDGEIAYQTN-UHFFFAOYSA-N 0 0 316.209 3.750 50 0 DHAARN COc1ccc(CC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000005425627 563621581 /nfs/dbraw/zinc/62/15/81/563621581.db2.gz NJAMLUOURIZNLL-MRXNPFEDSA-N 0 0 313.422 3.591 50 0 DHAARN COP(=O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1 ZINC000003165001 563622246 /nfs/dbraw/zinc/62/22/46/563622246.db2.gz FBRJHTXSGSICMA-UHFFFAOYSA-N 0 0 316.293 3.677 50 0 DHAARN CC(C)[C@H]1CN(Cc2ccccc2)[C@H]2c3ccccc3C(=O)N21 ZINC000034379945 563623546 /nfs/dbraw/zinc/62/35/46/563623546.db2.gz DJNISVWULMFWDD-RTBURBONSA-N 0 0 306.409 3.681 50 0 DHAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2 ZINC000005555640 563623649 /nfs/dbraw/zinc/62/36/49/563623649.db2.gz HFKPWPZRPGJOIT-UHFFFAOYSA-N 0 0 323.270 3.615 50 0 DHAARN O=C(c1cccc([C@H]2CCOC2)c1)N1CCc2c1cccc2F ZINC000274056800 563626332 /nfs/dbraw/zinc/62/63/32/563626332.db2.gz OGDBDFXMPIASMP-HNNXBMFYSA-N 0 0 311.356 3.533 50 0 DHAARN CCN1c2ccc(NC(=O)c3cccc(C)c3)cc2CCC1=O ZINC000017289114 563626863 /nfs/dbraw/zinc/62/68/63/563626863.db2.gz KCHLJADMVUSNAK-UHFFFAOYSA-N 0 0 308.381 3.546 50 0 DHAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(Cl)c2)c1 ZINC000017370434 563627282 /nfs/dbraw/zinc/62/72/82/563627282.db2.gz SJGQKDFYKHHMDN-LLVKDONJSA-N 0 0 319.788 3.848 50 0 DHAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1 ZINC000000613996 563631840 /nfs/dbraw/zinc/63/18/40/563631840.db2.gz HOFXGTPRNFDWSV-CYBMUJFWSA-N 0 0 301.386 3.661 50 0 DHAARN COC(=O)c1sccc1NC(=O)c1oc2ccccc2c1C ZINC000001053951 563632928 /nfs/dbraw/zinc/63/29/28/563632928.db2.gz QPDLFKLRTUHVLQ-UHFFFAOYSA-N 0 0 315.350 3.842 50 0 DHAARN Cc1ccc2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1 ZINC000001480520 563633882 /nfs/dbraw/zinc/63/38/82/563633882.db2.gz CTCQEBTVOLFDGK-UHFFFAOYSA-N 0 0 301.346 3.578 50 0 DHAARN Cc1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1 ZINC000014715599 563634518 /nfs/dbraw/zinc/63/45/18/563634518.db2.gz OSEBAQOKYBMXQQ-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN Fc1cccc(Cl)c1CC1N=NC(=S)N1c1ccccc1 ZINC000003118090 563636073 /nfs/dbraw/zinc/63/60/73/563636073.db2.gz ZXAMRELGZWFWAU-UHFFFAOYSA-N 0 0 319.792 3.939 50 0 DHAARN COC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000005112951 563637412 /nfs/dbraw/zinc/63/74/12/563637412.db2.gz MDTNAJZTXGDLIG-UHFFFAOYSA-N 0 0 323.270 3.744 50 0 DHAARN CCCCN1C(=O)N(c2ccccc2C)[C@@](C)(O)CC1(C)C ZINC000003152377 563639607 /nfs/dbraw/zinc/63/96/07/563639607.db2.gz 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O=[S@](Cc1cccc(Cl)c1)Cc1cccc2c1OCCO2 ZINC000084367799 563826604 /nfs/dbraw/zinc/82/66/04/563826604.db2.gz AIMGUQBVQANIMR-NRFANRHFSA-N 0 0 322.813 3.560 50 0 DHAARN CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 ZINC000084544370 563827541 /nfs/dbraw/zinc/82/75/41/563827541.db2.gz SQTPQFKIWLOFIR-SJORKVTESA-N 0 0 319.420 3.593 50 0 DHAARN CC(C)CO[C@H]1C[C@@H](OC(=O)c2ccc(F)cc2F)C1(C)C ZINC000084544345 563827607 /nfs/dbraw/zinc/82/76/07/563827607.db2.gz WFUYSQCFHKFGLS-LSDHHAIUSA-N 0 0 312.356 3.961 50 0 DHAARN CCCCOCCCNC(=O)c1oc2ccc(F)cc2c1C ZINC000012770147 563827696 /nfs/dbraw/zinc/82/76/96/563827696.db2.gz SWHSUYSKHBSUQD-UHFFFAOYSA-N 0 0 307.365 3.817 50 0 DHAARN O=c1onc(-c2cccs2)n1Cc1cccc2ccccc21 ZINC000084598517 563828463 /nfs/dbraw/zinc/82/84/63/563828463.db2.gz HRPVHUPVQPULQO-UHFFFAOYSA-N 0 0 308.362 3.766 50 0 DHAARN O=C(/C=C/c1cccs1)Nc1ccccc1N1CCCC1=O ZINC000015614999 563828996 /nfs/dbraw/zinc/82/89/96/563828996.db2.gz GUMKCXUQTOWXHD-MDZDMXLPSA-N 0 0 312.394 3.527 50 0 DHAARN CCCc1noc(COC(=O)c2cc3c(s2)CCCCC3)n1 ZINC000084759058 563830564 /nfs/dbraw/zinc/83/05/64/563830564.db2.gz WVNSHLSLNNGPAN-UHFFFAOYSA-N 0 0 320.414 3.710 50 0 DHAARN CCCOc1cccc(C(=O)N[C@@H](CCO)C2CCCCC2)c1 ZINC000084758628 563830629 /nfs/dbraw/zinc/83/06/29/563830629.db2.gz FVTZTOLLJUYXIQ-SFHVURJKSA-N 0 0 319.445 3.537 50 0 DHAARN Cc1ncc(C[S@@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)s1 ZINC000085225325 563834388 /nfs/dbraw/zinc/83/43/88/563834388.db2.gz RGILLMGDOWZJGD-YBYGRFCBSA-N 0 0 312.460 3.747 50 0 DHAARN COC(=O)Nc1cccc(NCc2ncc(C(C)(C)C)o2)c1 ZINC000085273289 563834737 /nfs/dbraw/zinc/83/47/37/563834737.db2.gz PVECHFUFOXJMCH-UHFFFAOYSA-N 0 0 303.362 3.763 50 0 DHAARN Cc1ccc(CNC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1 ZINC000015732218 563835394 /nfs/dbraw/zinc/83/53/94/563835394.db2.gz HFMZLVAIVBYSFS-KRWDZBQOSA-N 0 0 321.424 3.694 50 0 DHAARN Cc1nc(C)c(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)o1 ZINC000294651861 563835825 /nfs/dbraw/zinc/83/58/25/563835825.db2.gz UGTXNSPDLNQVEU-HAQNSBGRSA-N 0 0 304.777 3.621 50 0 DHAARN Cc1cc(S[C@@H](C)C(=O)N2CCCC2)nc2ccccc12 ZINC000011907444 563836500 /nfs/dbraw/zinc/83/65/00/563836500.db2.gz ACTFAAJQCUMUCN-ZDUSSCGKSA-N 0 0 300.427 3.646 50 0 DHAARN CCc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000012817250 563837491 /nfs/dbraw/zinc/83/74/91/563837491.db2.gz BKAZCRFRSGHWAV-UHFFFAOYSA-N 0 0 322.408 3.624 50 0 DHAARN CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCC2 ZINC000001465439 563837612 /nfs/dbraw/zinc/83/76/12/563837612.db2.gz YUXWZKPEWMLFSA-UHFFFAOYSA-N 0 0 319.382 3.567 50 0 DHAARN CCSc1ccccc1C(=O)N(CCOC)Cc1ccoc1 ZINC000085474306 563838146 /nfs/dbraw/zinc/83/81/46/563838146.db2.gz ALOSSWPIZVLMBN-UHFFFAOYSA-N 0 0 319.426 3.680 50 0 DHAARN COCCN(Cc1ccoc1)C(=O)/C=C/c1ccccc1Cl ZINC000085474313 563838225 /nfs/dbraw/zinc/83/82/25/563838225.db2.gz NLUPZJSWPQQQMG-VOTSOKGWSA-N 0 0 319.788 3.621 50 0 DHAARN Cc1cccc(O[C@@H](C)C(=O)N(C)c2nc3ccccc3o2)c1 ZINC000012860378 563845534 /nfs/dbraw/zinc/84/55/34/563845534.db2.gz RTVFWKAPSRRTRI-ZDUSSCGKSA-N 0 0 310.353 3.567 50 0 DHAARN Clc1nc(Cl)c(Cl)c(N2CCOCC2)c1Cl ZINC000025664298 563848069 /nfs/dbraw/zinc/84/80/69/563848069.db2.gz CLAYESCJQCKOCV-UHFFFAOYSA-N 0 0 301.988 3.532 50 0 DHAARN CN=[S@](=O)(C[C@@]1(O)C[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C)c1ccccc1 ZINC000101143994 563848919 /nfs/dbraw/zinc/84/89/19/563848919.db2.gz JTHKOQBFXFUGEP-OFPAILGUSA-N 0 0 321.486 3.577 50 0 DHAARN Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000101806108 563852683 /nfs/dbraw/zinc/85/26/83/563852683.db2.gz AAPLZPKPHYULMM-UHFFFAOYSA-N 0 0 321.380 3.968 50 0 DHAARN O=C(COc1ccccc1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000012884390 563852716 /nfs/dbraw/zinc/85/27/16/563852716.db2.gz DQLLCRFCELLOCM-SFHVURJKSA-N 0 0 315.800 3.986 50 0 DHAARN Cc1ccc(O)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000012889587 563852840 /nfs/dbraw/zinc/85/28/40/563852840.db2.gz LNEYFFWTHDNUON-UHFFFAOYSA-N 0 0 309.409 3.796 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000012901304 563853305 /nfs/dbraw/zinc/85/33/05/563853305.db2.gz KGOKGGFYTOQZDJ-UHFFFAOYSA-N 0 0 304.296 3.566 50 0 DHAARN COc1ccccc1CC(=O)OCc1nc2ccccc2s1 ZINC000012910478 563853425 /nfs/dbraw/zinc/85/34/25/563853425.db2.gz URQBEYWCEVKBTO-UHFFFAOYSA-N 0 0 313.378 3.591 50 0 DHAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1ccccc1OC(F)F ZINC000074510620 563854001 /nfs/dbraw/zinc/85/40/01/563854001.db2.gz SIFBJJQFHONPDD-UHFFFAOYSA-N 0 0 323.343 3.935 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1F ZINC000012926379 563854866 /nfs/dbraw/zinc/85/48/66/563854866.db2.gz ZYFPMKFEHMZWJH-HNNXBMFYSA-N 0 0 305.736 3.730 50 0 DHAARN C[C@H](Nc1ncnc2n[nH]cc21)c1ccc(-c2cccnc2)cc1 ZINC000075092073 563859243 /nfs/dbraw/zinc/85/92/43/563859243.db2.gz KUWDPONSRDTWLS-LBPRGKRZSA-N 0 0 316.368 3.588 50 0 DHAARN CC(C)[C@H]1CN(C(=O)CCc2cscn2)c2ccccc2N1 ZINC000075092697 563859270 /nfs/dbraw/zinc/85/92/70/563859270.db2.gz AVLKAZGAOBWRRW-OAHLLOKOSA-N 0 0 315.442 3.559 50 0 DHAARN CN(CCC1CCCCC1)C(=O)c1c(O)cnc2ccccc21 ZINC000075104872 563859678 /nfs/dbraw/zinc/85/96/78/563859678.db2.gz RKLNTNKAVUDBMU-UHFFFAOYSA-N 0 0 312.413 3.983 50 0 DHAARN CC(=O)c1c(F)cc(F)cc1OCCOc1ccc(F)cc1 ZINC000075105894 563859885 /nfs/dbraw/zinc/85/98/85/563859885.db2.gz BGKWESNNZIGRDF-UHFFFAOYSA-N 0 0 310.271 3.764 50 0 DHAARN CC(C)c1nnc(NC(=O)c2sccc2OC(F)F)s1 ZINC000075127956 563860286 /nfs/dbraw/zinc/86/02/86/563860286.db2.gz NWCAGGFFXRVQRE-UHFFFAOYSA-N 0 0 319.358 3.577 50 0 DHAARN Cc1ccc2[nH]c(C3CN(C(=O)Nc4cccs4)C3)nc2c1 ZINC000075156463 563861102 /nfs/dbraw/zinc/86/11/02/563861102.db2.gz UPZRENLZXBTLML-UHFFFAOYSA-N 0 0 312.398 3.564 50 0 DHAARN O=C(NCCc1ccccc1)N1CCC(c2ccsc2)CC1 ZINC000075157174 563861158 /nfs/dbraw/zinc/86/11/58/563861158.db2.gz JJNFVBFERUVFTC-UHFFFAOYSA-N 0 0 314.454 3.880 50 0 DHAARN Cc1noc(C)c1CS(=O)(=O)CCC1C[C@@H](C)C[C@H](C)C1 ZINC000089099549 563862314 /nfs/dbraw/zinc/86/23/14/563862314.db2.gz VIQUUGZOICLNJP-RYUDHWBXSA-N 0 0 313.463 3.669 50 0 DHAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)c(F)c1 ZINC000008884037 563864896 /nfs/dbraw/zinc/86/48/96/563864896.db2.gz GSOXOSPSFQGCMT-RIYZIHGNSA-N 0 0 319.694 3.963 50 0 DHAARN O=C(NCC[C@@H](CCO)c1ccsc1)c1cccc(Cl)c1 ZINC000575607780 563865252 /nfs/dbraw/zinc/86/52/52/563865252.db2.gz OXLSKEGWFRSKRL-LBPRGKRZSA-N 0 0 323.845 3.688 50 0 DHAARN O=C(NCc1ccc(-c2cccs2)o1)c1cc(C2CC2)on1 ZINC000575609326 563865618 /nfs/dbraw/zinc/86/56/18/563865618.db2.gz SSVVMXWVOAEDFQ-UHFFFAOYSA-N 0 0 314.366 3.804 50 0 DHAARN CN(C)c1cccc(C(=O)NCc2ccc(-c3ccco3)o2)c1 ZINC000575609464 563865790 /nfs/dbraw/zinc/86/57/90/563865790.db2.gz VPQBUROMOBTLNL-UHFFFAOYSA-N 0 0 310.353 3.536 50 0 DHAARN O=C(c1c(F)cccc1F)N1CCc2sc(Cl)cc2C1 ZINC000575616432 563867335 /nfs/dbraw/zinc/86/73/35/563867335.db2.gz OHQHCVCITQOBQX-UHFFFAOYSA-N 0 0 313.756 3.878 50 0 DHAARN Cc1c(C(=O)OCc2ccccc2)nnn1-c1cc(C)cc(C)c1 ZINC000035479030 563867692 /nfs/dbraw/zinc/86/76/92/563867692.db2.gz IAERABSULSMKHZ-UHFFFAOYSA-N 0 0 321.380 3.550 50 0 DHAARN CCCNC(=O)c1cc2c3c(ccc2Cl)O[C@@H](CC)Cn13 ZINC000035477454 563867824 /nfs/dbraw/zinc/86/78/24/563867824.db2.gz HVUQOCPGMCUDRD-JTQLQIEISA-N 0 0 306.793 3.606 50 0 DHAARN O=C(CCSc1ccccc1)NCc1cncc(C2CC2)c1 ZINC000575618674 563867835 /nfs/dbraw/zinc/86/78/35/563867835.db2.gz FBUSICFNBMSWST-UHFFFAOYSA-N 0 0 312.438 3.758 50 0 DHAARN C[C@H](CN(C)C(=O)N[C@H]1CCC[C@@H](C2CC2)C1)c1nccs1 ZINC000222281431 563869547 /nfs/dbraw/zinc/86/95/47/563869547.db2.gz SBHQWNFSTZFLJP-YUELXQCFSA-N 0 0 321.490 3.857 50 0 DHAARN CC(C)(C)c1cc(C(=O)NC(C)(C)CO)cc(C(C)(C)C)c1 ZINC000002825575 563869601 /nfs/dbraw/zinc/86/96/01/563869601.db2.gz APKGPOONTAGLPH-UHFFFAOYSA-N 0 0 305.462 3.782 50 0 DHAARN Cc1c(C(=O)Oc2ccccc2C(C)C)cnn1-c1ccncc1 ZINC000090427061 563870427 /nfs/dbraw/zinc/87/04/27/563870427.db2.gz NZHVIPCUKVJYOQ-UHFFFAOYSA-N 0 0 321.380 3.918 50 0 DHAARN CC[C@H](C)NC(=O)c1nnc(-c2oc3c(cccc3C)c2C)o1 ZINC000035503628 563870833 /nfs/dbraw/zinc/87/08/33/563870833.db2.gz QIYMOILDZXVXFH-JTQLQIEISA-N 0 0 313.357 3.628 50 0 DHAARN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](Oc2ccccn2)C1 ZINC000229890997 563871065 /nfs/dbraw/zinc/87/10/65/563871065.db2.gz VBQICRSCMJRHQC-GXTWGEPZSA-N 0 0 304.340 3.574 50 0 DHAARN CCC(=O)N1CCc2cc(C(=O)Nc3ccc(C)cc3)ccc21 ZINC000075437395 563871440 /nfs/dbraw/zinc/87/14/40/563871440.db2.gz YJZKWEZMZBOZGD-UHFFFAOYSA-N 0 0 308.381 3.546 50 0 DHAARN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2cccnc2)[nH]n1 ZINC000075441605 563871573 /nfs/dbraw/zinc/87/15/73/563871573.db2.gz LAGQCBQLVDMVGH-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN C[C@H](Nc1ccc(Cl)c(C[S@@](C)=O)c1)c1ccccn1 ZINC000191176670 563871601 /nfs/dbraw/zinc/87/16/01/563871601.db2.gz WRZBXGWXFWRZKK-PRWKNARSSA-N 0 0 308.834 3.787 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000032978657 563873403 /nfs/dbraw/zinc/87/34/03/563873403.db2.gz OZARKFOAHKZEKL-RMKNXTFCSA-N 0 0 321.376 3.716 50 0 DHAARN Cc1ccc(-c2nc(-c3nnc(-c4ccccc4)o3)c(N)o2)cc1 ZINC000035681791 563874447 /nfs/dbraw/zinc/87/44/47/563874447.db2.gz FYSIVOMGTMQVKM-UHFFFAOYSA-N 0 0 318.336 3.949 50 0 DHAARN CO[C@@H](CNC(=O)NCc1cccs1)c1ccccc1Cl ZINC000123366313 563875425 /nfs/dbraw/zinc/87/54/25/563875425.db2.gz BKSICJDIYKZUFZ-AWEZNQCLSA-N 0 0 324.833 3.588 50 0 DHAARN Cc1csc(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)n1 ZINC000013007066 563875645 /nfs/dbraw/zinc/87/56/45/563875645.db2.gz OYSXVNQYPAVTLU-UHFFFAOYSA-N 0 0 323.830 3.634 50 0 DHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCc2ccccc21 ZINC000013007873 563875666 /nfs/dbraw/zinc/87/56/66/563875666.db2.gz DCKWQVFSLOVIME-SJCJKPOMSA-N 0 0 315.800 3.911 50 0 DHAARN CCOc1cc2c(cc1NC(=O)[C@H]1CC=CCC1)O[C@H](C)C2 ZINC000013012270 563876196 /nfs/dbraw/zinc/87/61/96/563876196.db2.gz MTGUZEXKZWUBGX-OLZOCXBDSA-N 0 0 301.386 3.704 50 0 DHAARN CCOC(=O)c1cnc2c(Cl)cccc2c1NCCCOC ZINC000001774679 563878290 /nfs/dbraw/zinc/87/82/90/563878290.db2.gz LLJCBEFIWSUTNV-UHFFFAOYSA-N 0 0 322.792 3.513 50 0 DHAARN Cc1sc(-c2cc[nH]n2)cc1NC(=O)Cc1cccs1 ZINC000075519281 563878682 /nfs/dbraw/zinc/87/86/82/563878682.db2.gz HMJBRBBQBVGDPS-UHFFFAOYSA-N 0 0 303.412 3.689 50 0 DHAARN COc1cc(C(=O)Oc2cc(C)ccc2C)cc(OC)c1OC ZINC000000384145 563878693 /nfs/dbraw/zinc/87/86/93/563878693.db2.gz YUCCQUYWKFGSLO-UHFFFAOYSA-N 0 0 316.353 3.548 50 0 DHAARN O=C(Nc1nc2ccc(F)cc2s1)c1cccnc1Cl ZINC000001850104 563882370 /nfs/dbraw/zinc/88/23/70/563882370.db2.gz CBCLLTGDSVTDTI-UHFFFAOYSA-N 0 0 307.737 3.736 50 0 DHAARN CCOc1ccc2ccccc2c1COC(=O)[C@@H]1CCO[C@H]1C ZINC000092309403 563882844 /nfs/dbraw/zinc/88/28/44/563882844.db2.gz TWYWSADOLPKJPC-DZGCQCFKSA-N 0 0 314.381 3.707 50 0 DHAARN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccoc1C)CCC2 ZINC000089295747 563884431 /nfs/dbraw/zinc/88/44/31/563884431.db2.gz DOXQJVPZZQXFJU-CYBMUJFWSA-N 0 0 304.415 3.757 50 0 DHAARN C[C@@H](NC(=O)[C@@H]1CSCCS1)c1ccc(F)c(Cl)c1 ZINC000075572782 563884692 /nfs/dbraw/zinc/88/46/92/563884692.db2.gz NINDWQKLVGJXTF-PELKAZGASA-N 0 0 319.854 3.505 50 0 DHAARN CN(C(=O)c1ccc(NC2CC2)nc1)C1CCCCCCC1 ZINC000089334996 563885005 /nfs/dbraw/zinc/88/50/05/563885005.db2.gz PFPOKRZFJQQXRK-UHFFFAOYSA-N 0 0 301.434 3.841 50 0 DHAARN CC(C)OCc1cccc(NC(=O)N2CCS[C@H](C)CC2)c1 ZINC000192240709 563885726 /nfs/dbraw/zinc/88/57/26/563885726.db2.gz MRIDTHKCOBHMFS-CQSZACIVSA-N 0 0 322.474 3.971 50 0 DHAARN Cc1cc(NC(=O)c2cc(-c3ccc[nH]3)[nH]n2)ccc1Cl ZINC000263618566 563886100 /nfs/dbraw/zinc/88/61/00/563886100.db2.gz UJSLAUCVWKBNDT-UHFFFAOYSA-N 0 0 300.749 3.619 50 0 DHAARN CCOC(=O)c1c(NC(=O)C=C(C)C)sc2c1CCCC2 ZINC000001937584 563886217 /nfs/dbraw/zinc/88/62/17/563886217.db2.gz AZNWVVVEPBYCGV-UHFFFAOYSA-N 0 0 307.415 3.708 50 0 DHAARN Cc1csc2c1ncnc2N1CCCN(c2ccccc2)CC1 ZINC000192517134 563886707 /nfs/dbraw/zinc/88/67/07/563886707.db2.gz IMSBEQRLTIUCEB-UHFFFAOYSA-N 0 0 324.453 3.716 50 0 DHAARN COCc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000089420297 563886907 /nfs/dbraw/zinc/88/69/07/563886907.db2.gz VTCOKHMRVUOUKP-QWRGUYRKSA-N 0 0 305.761 3.822 50 0 DHAARN CCCc1cc(=O)oc2c(C)c(O[C@@H]3CCCCC3=O)ccc12 ZINC000000454776 563887285 /nfs/dbraw/zinc/88/72/85/563887285.db2.gz HRCXBPPNKDISCK-QGZVFWFLSA-N 0 0 314.381 3.944 50 0 biogenic DHAARN CCOc1ccc(O[C@@H](C)c2nnc([C@H]3CCCCO3)o2)cc1 ZINC000521393797 563887700 /nfs/dbraw/zinc/88/77/00/563887700.db2.gz DZPSQJSRHSFCNA-SWLSCSKDSA-N 0 0 318.373 3.850 50 0 DHAARN Cc1ccc2[nH]c3nc(N=NC[C@H]4CC=C(C)CC4)nnc3c2c1 ZINC000252627023 563887730 /nfs/dbraw/zinc/88/77/30/563887730.db2.gz RKKFAFPBYNLGIW-ZDUSSCGKSA-N 0 0 320.400 3.959 50 0 DHAARN C[C@@H]1CCC[C@@H](OCc2nnc(Cc3ccc(F)cc3)o2)C1 ZINC000521393806 563887762 /nfs/dbraw/zinc/88/77/62/563887762.db2.gz KZALPIQYIMXIOD-IUODEOHRSA-N 0 0 304.365 3.895 50 0 DHAARN O=C(NCc1csc(Br)c1)Nc1ccccc1 ZINC000031099709 563887871 /nfs/dbraw/zinc/88/78/71/563887871.db2.gz NEROYTLYJLAYPI-UHFFFAOYSA-N 0 0 311.204 3.832 50 0 DHAARN Cc1c2oc(=O)c3c(c2cc2c1OC(C)(C)C[C@H]2O)CCCC3 ZINC000008879318 563888000 /nfs/dbraw/zinc/88/80/00/563888000.db2.gz BRGFMNKRRCZOMB-OAHLLOKOSA-N 0 0 314.381 3.575 50 0 biogenic DHAARN CC(C)[C@@H](CNC(=O)c1ccc2c(c1)COC2)Nc1ccccc1 ZINC000064655839 563891583 /nfs/dbraw/zinc/89/15/83/563891583.db2.gz CHBGSNFNONEVHH-LJQANCHMSA-N 0 0 324.424 3.583 50 0 DHAARN O=C(NCCc1ccc(O)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000064641827 563891765 /nfs/dbraw/zinc/89/17/65/563891765.db2.gz UQPYUSOPTFLOEF-UHFFFAOYSA-N 0 0 324.302 3.775 50 0 DHAARN Cc1ccccc1C(=O)N1CC(OCc2ccc(Cl)cc2)C1 ZINC000064665855 563892216 /nfs/dbraw/zinc/89/22/16/563892216.db2.gz LMIOOZUAPBCDEC-UHFFFAOYSA-N 0 0 315.800 3.690 50 0 DHAARN CC(C)CC(=O)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000064678066 563892340 /nfs/dbraw/zinc/89/23/40/563892340.db2.gz OJQWMMSMRQFZRL-UHFFFAOYSA-N 0 0 307.409 3.879 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)n1ncc2cc(C)ccc21 ZINC000064662552 563892434 /nfs/dbraw/zinc/89/24/34/563892434.db2.gz HLUYEPQIAGTFNC-UHFFFAOYSA-N 0 0 323.352 3.602 50 0 DHAARN Cc1ccc(C(=O)NCc2ccc3c(c2)ncn3C(C)C)s1 ZINC000064754933 563892887 /nfs/dbraw/zinc/89/28/87/563892887.db2.gz SUMLUEMPKVTMAF-UHFFFAOYSA-N 0 0 313.426 3.917 50 0 DHAARN C[C@H](C(=O)NC[C@@H](C)c1ccccc1)n1cnc2ccccc21 ZINC000036260050 563894695 /nfs/dbraw/zinc/89/46/95/563894695.db2.gz BDITURCYQDLMME-HUUCEWRRSA-N 0 0 307.397 3.517 50 0 DHAARN Cc1ccc(-c2cncc(C(=O)NCc3ccccc3)c2)cc1 ZINC000036348877 563895341 /nfs/dbraw/zinc/89/53/41/563895341.db2.gz RVLOFEFAMYXHJP-UHFFFAOYSA-N 0 0 302.377 3.987 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccc2c1SCCC2=O ZINC000006841673 563896349 /nfs/dbraw/zinc/89/63/49/563896349.db2.gz XIYDRVPZTIYTFP-BXUZGUMPSA-N 0 0 303.427 3.674 50 0 DHAARN CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)c2ccccc2O1 ZINC000006843750 563896750 /nfs/dbraw/zinc/89/67/50/563896750.db2.gz RYOPNSXVORSTOA-AWEZNQCLSA-N 0 0 312.369 3.905 50 0 DHAARN CCNC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000065029787 563897108 /nfs/dbraw/zinc/89/71/08/563897108.db2.gz WJPAORAWTVIFSQ-UHFFFAOYSA-N 0 0 316.380 3.506 50 0 DHAARN Fc1ccccc1-c1noc(-c2nc(Cc3ccccc3)no2)n1 ZINC000169759355 563897562 /nfs/dbraw/zinc/89/75/62/563897562.db2.gz OCXUONMGYAKPRU-UHFFFAOYSA-N 0 0 322.299 3.517 50 0 DHAARN CC(=O)Nc1ccc(C)c(NC(=O)CCc2cccc(F)c2)c1 ZINC000036391373 563897856 /nfs/dbraw/zinc/89/78/56/563897856.db2.gz PHXJRGBVROWNLD-UHFFFAOYSA-N 0 0 314.360 3.664 50 0 DHAARN O=C(Cc1ccc(-n2cccc2)cc1)NCCc1ccc(F)cc1 ZINC000036391634 563898005 /nfs/dbraw/zinc/89/80/05/563898005.db2.gz FJADLGBBMGKIRP-UHFFFAOYSA-N 0 0 322.383 3.518 50 0 DHAARN COc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000036392455 563898425 /nfs/dbraw/zinc/89/84/25/563898425.db2.gz LJQUSEPGIKAFDU-UHFFFAOYSA-N 0 0 306.365 3.667 50 0 DHAARN CC(C)Oc1cccc([C@H](C)NC(=O)CCc2ccco2)c1 ZINC000036392714 563898434 /nfs/dbraw/zinc/89/84/34/563898434.db2.gz BUFMSOMBFKXHHL-AWEZNQCLSA-N 0 0 301.386 3.877 50 0 DHAARN COc1ccccc1C(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000169773695 563898760 /nfs/dbraw/zinc/89/87/60/563898760.db2.gz AXNJCBZDSHVOBT-QGZVFWFLSA-N 0 0 320.392 3.984 50 0 DHAARN Cc1ccc(-c2c(=O)c(=O)c2Nc2ccc(F)c(Cl)c2)cc1 ZINC000006892902 563898897 /nfs/dbraw/zinc/89/88/97/563898897.db2.gz ZQGUTKZBTICPSJ-UHFFFAOYSA-N 0 0 315.731 3.794 50 0 DHAARN COC(=O)c1ccc(OCC(=O)c2ccc3ccccc3c2)cc1 ZINC000006914160 563899424 /nfs/dbraw/zinc/89/94/24/563899424.db2.gz WYQQHNSNLULFQK-UHFFFAOYSA-N 0 0 320.344 3.888 50 0 DHAARN O=C(c1ccco1)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000065180686 563900654 /nfs/dbraw/zinc/90/06/54/563900654.db2.gz MNQTVNVLPHIPTG-UHFFFAOYSA-N 0 0 317.360 3.740 50 0 DHAARN Cc1ccccc1C(=O)N1CCC(CCOc2cccnc2)CC1 ZINC000065181217 563900656 /nfs/dbraw/zinc/90/06/56/563900656.db2.gz HBCIUIMZBFVDPW-UHFFFAOYSA-N 0 0 324.424 3.711 50 0 DHAARN CC(=O)Nc1ccc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000007028470 563901281 /nfs/dbraw/zinc/90/12/81/563901281.db2.gz LCXNGBIYIWJTPI-BETUJISGSA-N 0 0 320.458 3.527 50 0 DHAARN CC(=O)Nc1ccc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000007028474 563901318 /nfs/dbraw/zinc/90/13/18/563901318.db2.gz LCXNGBIYIWJTPI-STQMWFEESA-N 0 0 320.458 3.527 50 0 DHAARN CC(C)C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 ZINC000036630002 563901874 /nfs/dbraw/zinc/90/18/74/563901874.db2.gz SQVUIVLMLBZWKA-UHFFFAOYSA-N 0 0 306.174 3.699 50 0 DHAARN CN(Cc1cccnc1Oc1ccccc1)C(=O)NC(C)(C)C ZINC000065267112 563901967 /nfs/dbraw/zinc/90/19/67/563901967.db2.gz BTSPTOXRAANKKD-UHFFFAOYSA-N 0 0 313.401 3.814 50 0 DHAARN Cc1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000007069870 563902138 /nfs/dbraw/zinc/90/21/38/563902138.db2.gz ZXVOFGFEWRTWFN-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN O=C(NCc1cccs1)Nc1nc2c(cccc2F)s1 ZINC000036709362 563903341 /nfs/dbraw/zinc/90/33/41/563903341.db2.gz FMPCSQBSKPZOQM-UHFFFAOYSA-N 0 0 307.375 3.819 50 0 DHAARN Cc1noc(C)c1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000036764554 563904039 /nfs/dbraw/zinc/90/40/39/563904039.db2.gz BIWHYAKMEBLGLH-UHFFFAOYSA-N 0 0 320.392 3.853 50 0 DHAARN C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1cccnc1 ZINC000007180323 563904228 /nfs/dbraw/zinc/90/42/28/563904228.db2.gz DWHRADSDWPOXSU-GFCCVEGCSA-N 0 0 311.410 3.501 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1cccs1 ZINC000036783952 563904273 /nfs/dbraw/zinc/90/42/73/563904273.db2.gz KWDACHFSDZVWGK-LBPRGKRZSA-N 0 0 313.426 3.538 50 0 DHAARN Cc1occc1-c1nnc(SCC(=O)c2ccccc2F)o1 ZINC000007196265 563904330 /nfs/dbraw/zinc/90/43/30/563904330.db2.gz SKLAHOPJHSKISV-UHFFFAOYSA-N 0 0 318.329 3.752 50 0 DHAARN Cc1occc1-c1nnc(SCC(=O)c2cccs2)o1 ZINC000007196035 563904363 /nfs/dbraw/zinc/90/43/63/563904363.db2.gz IPDPHSXVFUCDNS-UHFFFAOYSA-N 0 0 306.368 3.675 50 0 DHAARN CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(F)cc2)cc1 ZINC000007267410 563904945 /nfs/dbraw/zinc/90/49/45/563904945.db2.gz NKYKCLMZCHOJPN-AWEZNQCLSA-N 0 0 314.404 3.847 50 0 DHAARN Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1C ZINC000007253345 563904956 /nfs/dbraw/zinc/90/49/56/563904956.db2.gz WJZJWGLABWRJKD-UHFFFAOYSA-N 0 0 315.442 3.750 50 0 DHAARN C[C@H](Sc1nnc(C2CC2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000007289837 563905139 /nfs/dbraw/zinc/90/51/39/563905139.db2.gz ZKCOGBOZIXGNOW-VIFPVBQESA-N 0 0 313.382 3.792 50 0 DHAARN Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000037000988 563905377 /nfs/dbraw/zinc/90/53/77/563905377.db2.gz BLDXRGAPKYCQLG-MBNYWOFBSA-N 0 0 317.458 3.797 50 0 DHAARN O=C(NCCCc1ccccc1)c1ccc(N2CCCC2)cc1 ZINC000007383541 563905740 /nfs/dbraw/zinc/90/57/40/563905740.db2.gz WGELIYDRPWQBQH-UHFFFAOYSA-N 0 0 308.425 3.649 50 0 DHAARN CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000007409028 563906055 /nfs/dbraw/zinc/90/60/55/563906055.db2.gz RCYBTRZDTQKODC-UHFFFAOYSA-N 0 0 305.399 3.503 50 0 DHAARN Cc1cccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000007424973 563906354 /nfs/dbraw/zinc/90/63/54/563906354.db2.gz AYDXWLSJKRFHOS-KRWDZBQOSA-N 0 0 307.397 3.998 50 0 DHAARN COc1ccccc1[C@H](C)Nc1cccc(C[S@@](C)=O)c1 ZINC000170592765 563906670 /nfs/dbraw/zinc/90/66/70/563906670.db2.gz JBQPHBOVODUTSM-YEJXKQKISA-N 0 0 303.427 3.747 50 0 DHAARN C[C@@H](Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccncc1 ZINC000170592755 563906762 /nfs/dbraw/zinc/90/67/62/563906762.db2.gz LXVYWXSVJJTCIT-CZUORRHYSA-N 0 0 316.376 3.952 50 0 DHAARN CCCCC1CCC(NC(=O)[C@@H]2CSCCS2)CC1 ZINC000170593170 563906917 /nfs/dbraw/zinc/90/69/17/563906917.db2.gz SQJWLPMCOXCXJU-RUXDESIVSA-N 0 0 301.521 3.700 50 0 DHAARN O=C(NCc1nc(-c2cccs2)c[nH]1)c1ccc(Cl)cc1 ZINC000170597718 563906981 /nfs/dbraw/zinc/90/69/81/563906981.db2.gz FUOJKWGNVSBNHO-UHFFFAOYSA-N 0 0 317.801 3.722 50 0 DHAARN Cn1cc(Oc2nc(-c3ccsc3)nc3ccccc32)cn1 ZINC000170598753 563907183 /nfs/dbraw/zinc/90/71/83/563907183.db2.gz YNQNCXYDLDSUHU-UHFFFAOYSA-N 0 0 308.366 3.884 50 0 DHAARN Cc1nc(Nc2cccnc2)sc1C(=O)Nc1ccccc1 ZINC000170604741 563907373 /nfs/dbraw/zinc/90/73/73/563907373.db2.gz ZFFJYTQBHXJDHQ-UHFFFAOYSA-N 0 0 310.382 3.842 50 0 DHAARN CCOc1ccccc1-c1nnc(SC[C@@H]2CC[C@@H](C)O2)o1 ZINC000170608246 563907625 /nfs/dbraw/zinc/90/76/25/563907625.db2.gz XBXBHKPWDBBEMX-NEPJUHHUSA-N 0 0 320.414 3.795 50 0 DHAARN CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)cc1 ZINC000170614113 563907976 /nfs/dbraw/zinc/90/79/76/563907976.db2.gz OTCKSSZHRXJWFX-MRXNPFEDSA-N 0 0 314.410 3.844 50 0 DHAARN COCc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000007525615 563908125 /nfs/dbraw/zinc/90/81/25/563908125.db2.gz VSANIMZGBBVBFE-LLVKDONJSA-N 0 0 305.324 3.602 50 0 DHAARN CN(Cc1ccc(Cl)nc1)C(=O)c1ccc2c(c1)CCC=C2 ZINC000170614570 563908395 /nfs/dbraw/zinc/90/83/95/563908395.db2.gz IQWJVOHPCTYMKR-UHFFFAOYSA-N 0 0 312.800 3.967 50 0 DHAARN C[C@H]1CCCN(C(=O)NCCCc2c[nH]c3ccccc23)CC1 ZINC000170623135 563908833 /nfs/dbraw/zinc/90/88/33/563908833.db2.gz GGKVXEHVVMTJGZ-HNNXBMFYSA-N 0 0 313.445 3.932 50 0 DHAARN O=c1[nH]n(C2CCCC2)c2c1[C@@H](C1CCCCC1)CC(=O)N2 ZINC000071283813 563909129 /nfs/dbraw/zinc/90/91/29/563909129.db2.gz RLOJVDVBAJBTJN-CYBMUJFWSA-N 0 0 303.406 3.947 50 0 DHAARN Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)c(C)o1 ZINC000071195619 563909142 /nfs/dbraw/zinc/90/91/42/563909142.db2.gz CCGHUHDCAVEVIO-OAHLLOKOSA-N 0 0 315.417 3.655 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000009997190 563909230 /nfs/dbraw/zinc/90/92/30/563909230.db2.gz ZBHUGRFJYAQKHD-GHMZBOCLSA-N 0 0 315.244 3.910 50 0 DHAARN CC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000010023682 563909279 /nfs/dbraw/zinc/90/92/79/563909279.db2.gz NHFGHXAIBZFBSW-LBPRGKRZSA-N 0 0 314.360 3.617 50 0 DHAARN Cc1ccc(N(C(=O)c2ccco2)C(=O)N2CCCCC2)cc1 ZINC000010254533 563909351 /nfs/dbraw/zinc/90/93/51/563909351.db2.gz FLOYWWCYZVFMJJ-UHFFFAOYSA-N 0 0 312.369 3.841 50 0 DHAARN O=C(Nc1cccc(C(F)F)c1)N(CCO)Cc1ccccc1 ZINC000071854032 563909430 /nfs/dbraw/zinc/90/94/30/563909430.db2.gz JXCBFMQXKNIAOM-UHFFFAOYSA-N 0 0 320.339 3.651 50 0 DHAARN CC(C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000013325367 563909467 /nfs/dbraw/zinc/90/94/67/563909467.db2.gz UWAKJKCVAYLAME-UHFFFAOYSA-N 0 0 324.428 3.559 50 0 DHAARN CCOCCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000013330011 563909615 /nfs/dbraw/zinc/90/96/15/563909615.db2.gz AIVICJKHBRIESN-JTQLQIEISA-N 0 0 319.232 3.780 50 0 DHAARN Cn1ccc(NC(=S)Nc2cccc(Cl)c2Cl)n1 ZINC000013331955 563909637 /nfs/dbraw/zinc/90/96/37/563909637.db2.gz CRTOUQFEJMSAKF-UHFFFAOYSA-N 0 0 301.202 3.536 50 0 DHAARN CC(=O)C(=CNc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000005260714 563909767 /nfs/dbraw/zinc/90/97/67/563909767.db2.gz FLRNGHVILXJTDB-LFIBNONCSA-N 0 0 314.772 3.864 50 0 DHAARN CCc1ccccc1NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000013790732 563910120 /nfs/dbraw/zinc/91/01/20/563910120.db2.gz PHPGGBWMQIKHFA-UHFFFAOYSA-N 0 0 314.410 3.829 50 0 DHAARN O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCOCC1 ZINC000014116774 563910268 /nfs/dbraw/zinc/91/02/68/563910268.db2.gz VNXJRVBFOUOJKX-UHFFFAOYSA-N 0 0 311.381 3.631 50 0 DHAARN Cc1noc(C)c1CNc1nnc(-c2cccc(F)c2)cc1C ZINC000089600925 563910795 /nfs/dbraw/zinc/91/07/95/563910795.db2.gz BSFISFFZCSMJKB-UHFFFAOYSA-N 0 0 312.348 3.808 50 0 DHAARN Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(C3CC3)s2)s1 ZINC000089656442 563910852 /nfs/dbraw/zinc/91/08/52/563910852.db2.gz BUTJRPHMCHOHGY-UWVGGRQHSA-N 0 0 305.428 3.528 50 0 DHAARN Cc1cccc(N(C)CCCS(=O)(=O)c2ccccc2)c1C ZINC000089686468 563910871 /nfs/dbraw/zinc/91/08/71/563910871.db2.gz RNDMESMWCYMKMQ-UHFFFAOYSA-N 0 0 317.454 3.604 50 0 DHAARN COc1ccc(C)c(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000089646754 563910931 /nfs/dbraw/zinc/91/09/31/563910931.db2.gz PSXFNSPEJPALLW-CQSZACIVSA-N 0 0 318.417 3.617 50 0 DHAARN Cc1oc(-c2ccccc2)nc1Cn1cnc(C2CCC2)cc1=O ZINC000089702917 563911036 /nfs/dbraw/zinc/91/10/36/563911036.db2.gz VTOLZGPDEHXWQI-UHFFFAOYSA-N 0 0 321.380 3.523 50 0 DHAARN Cc1cscc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000089708902 563911175 /nfs/dbraw/zinc/91/11/75/563911175.db2.gz GRDNDPWVDWZUOA-CYBMUJFWSA-N 0 0 317.435 3.735 50 0 DHAARN O=C(c1ncncc1Cl)N(c1ccc(F)cc1)C1CCCC1 ZINC000089788122 563911224 /nfs/dbraw/zinc/91/12/24/563911224.db2.gz ILSVEJBOZUFDTK-UHFFFAOYSA-N 0 0 319.767 3.859 50 0 DHAARN Fc1ccc(NCc2ccncc2)c(OCC(F)(F)F)c1 ZINC000089793416 563911269 /nfs/dbraw/zinc/91/12/69/563911269.db2.gz PHKKPTXTBVFQJS-UHFFFAOYSA-N 0 0 300.255 3.774 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCCCC[C@H]1c1ccco1 ZINC000089794504 563911283 /nfs/dbraw/zinc/91/12/83/563911283.db2.gz SYOYNXMEOSKQAS-AWEZNQCLSA-N 0 0 300.358 3.903 50 0 DHAARN c1nnc(-c2ccccc2OCc2cccc3cccnc32)o1 ZINC000089821292 563911529 /nfs/dbraw/zinc/91/15/29/563911529.db2.gz WXFXKJTXOWWSPG-UHFFFAOYSA-N 0 0 303.321 3.864 50 0 DHAARN CC[C@H](NC(=O)NCc1csc(C(C)C)n1)c1nccs1 ZINC000076018533 563911696 /nfs/dbraw/zinc/91/16/96/563911696.db2.gz XDNJDYKKRGHRQI-NSHDSACASA-N 0 0 324.475 3.674 50 0 DHAARN O=C(NCc1ccccn1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000089873204 563911712 /nfs/dbraw/zinc/91/17/12/563911712.db2.gz MJZPHCHYUDKFQM-RTBURBONSA-N 0 0 302.377 3.655 50 0 DHAARN CC(C)c1nn(C)c2sc(C(=O)N3C[C@@H]4CCC[C@@H]4C3)cc12 ZINC000089891216 563911922 /nfs/dbraw/zinc/91/19/22/563911922.db2.gz SCLONRASZCINDM-TXEJJXNPSA-N 0 0 317.458 3.630 50 0 DHAARN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc2cc[nH]c21 ZINC000089894755 563911995 /nfs/dbraw/zinc/91/19/95/563911995.db2.gz PUJHMSOUIZLPSX-NSHDSACASA-N 0 0 312.394 3.621 50 0 DHAARN C[C@@H](O)CNc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000089901366 563912086 /nfs/dbraw/zinc/91/20/86/563912086.db2.gz BGUZVFMKLMAJPK-SECBINFHSA-N 0 0 319.817 3.804 50 0 DHAARN C[C@@H](Sc1ccccn1)c1nc(COc2ccccc2)no1 ZINC000089913655 563912121 /nfs/dbraw/zinc/91/21/21/563912121.db2.gz FXXQXLXLPHBWAQ-GFCCVEGCSA-N 0 0 313.382 3.897 50 0 DHAARN O=C(NC[C@H](O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000076089237 563912346 /nfs/dbraw/zinc/91/23/46/563912346.db2.gz GVUDWZWLQDKPLU-JTQLQIEISA-N 0 0 321.785 3.611 50 0 DHAARN C[C@@H](OC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2n1C ZINC000076093118 563912451 /nfs/dbraw/zinc/91/24/51/563912451.db2.gz HVYHMUBURGLRFL-CQSZACIVSA-N 0 0 320.392 3.909 50 0 DHAARN Fc1cccc(CCNc2ncnc3cc(F)c(F)cc32)c1 ZINC000170632569 563912512 /nfs/dbraw/zinc/91/25/12/563912512.db2.gz FUXHBMGOEHBQCP-UHFFFAOYSA-N 0 0 303.287 3.702 50 0 DHAARN COc1ccc(Cl)cc1NCCC(=O)N1CC(C)(C)C1(C)C ZINC000076094510 563912646 /nfs/dbraw/zinc/91/26/46/563912646.db2.gz SDENDCVKERDRRO-UHFFFAOYSA-N 0 0 324.852 3.798 50 0 DHAARN CCc1ccc(OCCCOc2c(C=O)cccc2OC)cc1 ZINC000002875644 563913020 /nfs/dbraw/zinc/91/30/20/563913020.db2.gz LWSRXQVPOWBAHW-UHFFFAOYSA-N 0 0 314.381 3.918 50 0 DHAARN COc1ccccc1OCCOc1ccc(Cl)cc1C=O ZINC000002877389 563913105 /nfs/dbraw/zinc/91/31/05/563913105.db2.gz WSTGDOXXRSMDIA-UHFFFAOYSA-N 0 0 306.745 3.619 50 0 DHAARN CCO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C12CCC2 ZINC000170638827 563913861 /nfs/dbraw/zinc/91/38/61/563913861.db2.gz JUGCMNMHORZNMY-ZWKOTPCHSA-N 0 0 324.424 3.555 50 0 DHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@H](CCc3ccccc3)[C@@H]1[C@@H]2C ZINC000002124465 563914873 /nfs/dbraw/zinc/91/48/73/563914873.db2.gz XWHWCKHMKQSYBV-PRHYDEJPSA-N 0 0 300.442 3.845 50 0 biogenic DHAARN CC[C@@H](C(=O)NC[C@@H](OC)c1cccc(F)c1)c1ccccc1 ZINC000208000377 563914933 /nfs/dbraw/zinc/91/49/33/563914933.db2.gz ORBOWHDLKYDHEZ-QZTJIDSGSA-N 0 0 315.388 3.823 50 0 DHAARN COc1ccccc1[C@@H](C)NC(=O)Cc1cccc2cccnc21 ZINC000054519774 563915447 /nfs/dbraw/zinc/91/54/47/563915447.db2.gz COUCORBLLLJDJJ-CQSZACIVSA-N 0 0 320.392 3.663 50 0 DHAARN Cc1nn(C(=O)[C@]2(C)CC2(Cl)Cl)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000002140005 563915526 /nfs/dbraw/zinc/91/55/26/563915526.db2.gz MCUSISQBVWANQN-UGQGEIBHSA-N 0 0 313.228 3.711 50 0 biogenic DHAARN O=C(Nc1ccc(Cl)cc1)OCc1ccc2c(c1)OCO2 ZINC000000395329 563915538 /nfs/dbraw/zinc/91/55/38/563915538.db2.gz WBHZUBCSWXVXIL-UHFFFAOYSA-N 0 0 305.717 3.817 50 0 DHAARN COCc1ccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000252485119 563915917 /nfs/dbraw/zinc/91/59/17/563915917.db2.gz GNUCIELZYZZSAT-UHFFFAOYSA-N 0 0 320.339 3.775 50 0 DHAARN C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000054583588 563916175 /nfs/dbraw/zinc/91/61/75/563916175.db2.gz XEXKQQSFZPIIMF-NHYWBVRUSA-N 0 0 322.330 3.583 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc2c1OC(C)(C)C2)c1ccncc1 ZINC000252500522 563916315 /nfs/dbraw/zinc/91/63/15/563916315.db2.gz SXEUUEVSMZBKRH-GFCCVEGCSA-N 0 0 311.385 3.678 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc2c1OC(C)(C)C2)c1nccs1 ZINC000252500480 563916334 /nfs/dbraw/zinc/91/63/34/563916334.db2.gz SWNSZFVNLQFOKN-SNVBAGLBSA-N 0 0 317.414 3.739 50 0 DHAARN Cc1cc(NC(=O)C2=COCCC2)ccc1Oc1ccncc1 ZINC000193703410 563916644 /nfs/dbraw/zinc/91/66/44/563916644.db2.gz VMVCVKNQZXUHAQ-UHFFFAOYSA-N 0 0 310.353 3.815 50 0 DHAARN Cc1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)no1 ZINC000252585791 563917267 /nfs/dbraw/zinc/91/72/67/563917267.db2.gz LDBPIOUJCNUYRR-MZPVMMEZSA-N 0 0 321.380 3.512 50 0 DHAARN O=[S@](CCCc1cn[nH]c1)Cc1c(Cl)cccc1Cl ZINC000194544678 563917691 /nfs/dbraw/zinc/91/76/91/563917691.db2.gz ZNHNBEOLZAOWJV-LJQANCHMSA-N 0 0 317.241 3.598 50 0 DHAARN CCCNC(=O)CCn1c(Cc2ccccc2)nc2ccccc21 ZINC000037398063 563917536 /nfs/dbraw/zinc/91/75/36/563917536.db2.gz VCSSDHTUENVTJZ-UHFFFAOYSA-N 0 0 321.424 3.543 50 0 DHAARN Cc1cc(C)n2nc(NCc3ccc(Cl)cc3Cl)nc2n1 ZINC000002208068 563917543 /nfs/dbraw/zinc/91/75/43/563917543.db2.gz KJWNYDBMESNTBY-UHFFFAOYSA-N 0 0 322.199 3.660 50 0 DHAARN Cc1cc(C)cc(OCC(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000007642530 563917781 /nfs/dbraw/zinc/91/77/81/563917781.db2.gz HZEDFUHMGKWWFE-UHFFFAOYSA-N 0 0 316.426 3.656 50 0 DHAARN Cc1cccn2cc(CSc3nncn3-c3ccccc3)nc12 ZINC000007677553 563917941 /nfs/dbraw/zinc/91/79/41/563917941.db2.gz PPDJINKTEHUWHW-UHFFFAOYSA-N 0 0 321.409 3.516 50 0 DHAARN Cc1ccc2nc(CSc3nncn3-c3ccccc3)cn2c1 ZINC000007677551 563917965 /nfs/dbraw/zinc/91/79/65/563917965.db2.gz DBLHAFFWKMUFAN-UHFFFAOYSA-N 0 0 321.409 3.516 50 0 DHAARN Cc1cccc(C(=O)OCCCC(=O)c2ccc(F)cc2)c1O ZINC000007701429 563918115 /nfs/dbraw/zinc/91/81/15/563918115.db2.gz FTUGDSHGOYAPOX-UHFFFAOYSA-N 0 0 316.328 3.660 50 0 DHAARN CCCCCCOc1ccccc1C=C1SC(=O)NC1=O ZINC000007719316 563918136 /nfs/dbraw/zinc/91/81/36/563918136.db2.gz CKPNGEWSIFFGFW-KAMYIIQDSA-N 0 0 305.399 3.970 50 0 DHAARN Cc1ccc(Cn2c(C(=O)NC3CC3)cc3sccc32)cc1 ZINC000037526296 563918310 /nfs/dbraw/zinc/91/83/10/563918310.db2.gz MXXBEYICCXBRPR-UHFFFAOYSA-N 0 0 310.422 3.952 50 0 DHAARN Cc1cc2nc(NCCc3ccc(F)cc3)c3ccccc3n2n1 ZINC000007735839 563918520 /nfs/dbraw/zinc/91/85/20/563918520.db2.gz BIQHLBFBTWIKRZ-UHFFFAOYSA-N 0 0 320.371 3.985 50 0 DHAARN COc1ccc2c(c1)c1ncnc(N3C[C@@H](C)C[C@H](C)C3)c1n2C ZINC000002216741 563919536 /nfs/dbraw/zinc/91/95/36/563919536.db2.gz WUWTVBLBTCIWLU-STQMWFEESA-N 0 0 324.428 3.612 50 0 DHAARN C[C@H]1OCC[C@@H]1Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000195551646 563919597 /nfs/dbraw/zinc/91/95/97/563919597.db2.gz TYVRJRDLAVHGDR-DOMZBBRYSA-N 0 0 318.417 3.574 50 0 DHAARN COc1ccc(Oc2ncccc2NCc2cncs2)cc1 ZINC000195573333 563919741 /nfs/dbraw/zinc/91/97/41/563919741.db2.gz AVCPXTXIGZJFDS-UHFFFAOYSA-N 0 0 313.382 3.951 50 0 DHAARN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(C)cc1 ZINC000007808056 563919767 /nfs/dbraw/zinc/91/97/67/563919767.db2.gz GSUOERQTYPXBEK-UHFFFAOYSA-N 0 0 323.421 3.752 50 0 DHAARN Cc1ncc(CNc2ccc(Cl)c(C[S@](C)=O)c2)s1 ZINC000195559053 563919789 /nfs/dbraw/zinc/91/97/89/563919789.db2.gz CRRHLBMZQKYRAM-IBGZPJMESA-N 0 0 314.863 3.596 50 0 DHAARN Cc1cc(CSc2nnc(NCc3ccccc3)s2)no1 ZINC000007819751 563919872 /nfs/dbraw/zinc/91/98/72/563919872.db2.gz GINHCOALJYIPFC-UHFFFAOYSA-N 0 0 318.427 3.739 50 0 DHAARN CC[NH+](CC)C[C@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000007813741 563919959 /nfs/dbraw/zinc/91/99/59/563919959.db2.gz IFBGTGGSPWOMSM-SFHVURJKSA-N 0 0 311.429 3.891 50 0 DHAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[C@@H]1C=CCC1 ZINC000007824812 563920004 /nfs/dbraw/zinc/92/00/04/563920004.db2.gz PLEFIEDKJSKFFR-QGZVFWFLSA-N 0 0 323.440 3.521 50 0 DHAARN Cc1cc(CSc2nnc(-c3c[nH]c4ccccc43)o2)no1 ZINC000007828614 563920018 /nfs/dbraw/zinc/92/00/18/563920018.db2.gz CPBYGINZVLEIFK-UHFFFAOYSA-N 0 0 312.354 3.807 50 0 DHAARN Cc1cc(C)cc(NC(=O)CSc2ncnc3ccccc32)c1 ZINC000003246400 563920448 /nfs/dbraw/zinc/92/04/48/563920448.db2.gz IUZZUBDAZJGPCY-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(F)F ZINC000002631197 563920482 /nfs/dbraw/zinc/92/04/82/563920482.db2.gz BWLDWQQAEBGIBJ-WEVVVXLNSA-N 0 0 317.338 3.626 50 0 DHAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000007917348 563920557 /nfs/dbraw/zinc/92/05/57/563920557.db2.gz KSUXFBLURONRBH-UHFFFAOYSA-N 0 0 321.380 3.750 50 0 DHAARN CCC(C(=O)Nc1ccccn1)(C(F)(F)F)C(F)(F)F ZINC000002276160 563921177 /nfs/dbraw/zinc/92/11/77/563921177.db2.gz KUEOKYYTKMCWBQ-UHFFFAOYSA-N 0 0 300.202 3.541 50 0 DHAARN Cc1ccccc1[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095837062 563924209 /nfs/dbraw/zinc/92/42/09/563924209.db2.gz GOXPNHIQWSDRCN-INIZCTEOSA-N 0 0 305.418 3.676 50 0 DHAARN Cc1nnc(CN2CCS[C@@H](C)[C@H]2c2ccccc2)s1 ZINC000253418554 563925070 /nfs/dbraw/zinc/92/50/70/563925070.db2.gz WMROCJQJCATUCH-NHYWBVRUSA-N 0 0 305.472 3.525 50 0 DHAARN CCO[C@@H](C)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000225721771 563925205 /nfs/dbraw/zinc/92/52/05/563925205.db2.gz UBCZLAVCRVFIAY-VIFPVBQESA-N 0 0 323.286 3.520 50 0 DHAARN CCc1ccc(OC)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000253428165 563925334 /nfs/dbraw/zinc/92/53/34/563925334.db2.gz PIWJUESYXBXWSL-UHFFFAOYSA-N 0 0 319.426 3.675 50 0 DHAARN COc1cc(NC(C)=O)ccc1N[C@H](C)c1cccc(O)c1 ZINC000253432702 563925748 /nfs/dbraw/zinc/92/57/48/563925748.db2.gz MXCONYAZYWRODH-LLVKDONJSA-N 0 0 300.358 3.532 50 0 DHAARN CC(C)n1ccc2c1cccc2OCC(=O)Nc1cccnc1 ZINC000252499858 563927350 /nfs/dbraw/zinc/92/73/50/563927350.db2.gz SGTAXKWDZIVDBP-UHFFFAOYSA-N 0 0 309.369 3.635 50 0 DHAARN CCOc1ccc(CCC(=O)N2CCc3sccc3C2)cc1 ZINC000055165592 563927717 /nfs/dbraw/zinc/92/77/17/563927717.db2.gz JLJVJUBMZLJGSZ-UHFFFAOYSA-N 0 0 315.438 3.664 50 0 DHAARN COc1ccc(Oc2cncnc2-c2ccc(OC)cc2O)cc1 ZINC000002429791 563928436 /nfs/dbraw/zinc/92/84/36/563928436.db2.gz BWWOGHPAKMUEOD-UHFFFAOYSA-N 0 0 324.336 3.659 50 0 DHAARN Cc1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013072792 563929324 /nfs/dbraw/zinc/92/93/24/563929324.db2.gz YRRGGHFYPDCZPS-UHFFFAOYSA-N 0 0 302.805 3.719 50 0 DHAARN O=C(CCc1ccccc1O)Nc1cccc(N2CCCCC2)c1 ZINC000055356691 563929523 /nfs/dbraw/zinc/92/95/23/563929523.db2.gz UMEVBRXUNMIHEI-UHFFFAOYSA-N 0 0 324.424 3.954 50 0 DHAARN CN(C(=O)c1cc(F)cc2cccnc21)c1ccc(Cl)cn1 ZINC000330032879 563930622 /nfs/dbraw/zinc/93/06/22/563930622.db2.gz SXRRVPAMAANPJX-UHFFFAOYSA-N 0 0 315.735 3.699 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3ncccc23)cc1 ZINC000095361001 563931165 /nfs/dbraw/zinc/93/11/65/563931165.db2.gz LHXRRUTUOVBRDJ-QGZVFWFLSA-N 0 0 321.380 3.549 50 0 DHAARN CSCCCNC(=O)Nc1c(C)noc1-c1ccccc1 ZINC000095942302 563931935 /nfs/dbraw/zinc/93/19/35/563931935.db2.gz AXCQYFJYBSFHHJ-UHFFFAOYSA-N 0 0 305.403 3.525 50 0 DHAARN CCC(CC)(NC(=O)[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000095946641 563932231 /nfs/dbraw/zinc/93/22/31/563932231.db2.gz URPQNBJRCYNYQV-ZDUSSCGKSA-N 0 0 309.837 3.898 50 0 DHAARN CCCN(C)Cc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000095946230 563932263 /nfs/dbraw/zinc/93/22/63/563932263.db2.gz IVNDZJDOJMFSHQ-UHFFFAOYSA-N 0 0 314.433 3.569 50 0 DHAARN CC1(C)[C@H](NC(=O)Nc2cccc(C(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000095961117 563932527 /nfs/dbraw/zinc/93/25/27/563932527.db2.gz HWYZIGKQLZHRMI-UPJWGTAASA-N 0 0 310.344 3.559 50 0 DHAARN Cc1ncc(Cl)c(C(=O)O[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)n1 ZINC000095961415 563932561 /nfs/dbraw/zinc/93/25/61/563932561.db2.gz VQYBXKRGCIRWHA-UKKREREHSA-N 0 0 308.809 3.666 50 0 DHAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)c1nccs1 ZINC000095959978 563932568 /nfs/dbraw/zinc/93/25/68/563932568.db2.gz YKKLTQLRRGTOQF-JTQLQIEISA-N 0 0 324.833 3.615 50 0 DHAARN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cnccc1OC ZINC000095963605 563932681 /nfs/dbraw/zinc/93/26/81/563932681.db2.gz AVKOBOJCOXTKJK-ZDUSSCGKSA-N 0 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CCN(C)c1cccc(NC(=O)N[C@H](C)c2c(C)noc2C)c1 ZINC000079306165 185164289 /nfs/dbraw/zinc/16/42/89/185164289.db2.gz ZKSNVZABBJVBAA-LLVKDONJSA-N 0 0 316.405 3.630 50 0 DHAARN Cc1ccccc1C[S@@](=O)Cc1noc(-c2ccsc2)n1 ZINC000079324609 185165037 /nfs/dbraw/zinc/16/50/37/185165037.db2.gz ILUQRDTUIFUZQA-NRFANRHFSA-N 0 0 318.423 3.555 50 0 DHAARN Cc1ccccc1C[S@](=O)Cc1noc(-c2ccsc2)n1 ZINC000079324614 185165101 /nfs/dbraw/zinc/16/51/01/185165101.db2.gz ILUQRDTUIFUZQA-OAQYLSRUSA-N 0 0 318.423 3.555 50 0 DHAARN O=C(C[C@H]1CC(=O)Oc2ccccc21)Nc1ccc2[nH]ccc2c1 ZINC000079190244 185161221 /nfs/dbraw/zinc/16/12/21/185161221.db2.gz GRCRMOQZARKPQC-ZDUSSCGKSA-N 0 0 320.348 3.589 50 0 biogenic DHAARN C[C@H]1CCCCN1C(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000096841009 185389542 /nfs/dbraw/zinc/38/95/42/185389542.db2.gz PPYZLVSWUNDAGA-FJOGCWAESA-N 0 0 321.804 3.525 50 0 DHAARN COc1ccc(C)cc1NC(=O)/C=C\c1nc2ccccc2o1 ZINC000096859778 185389760 /nfs/dbraw/zinc/38/97/60/185389760.db2.gz SLGOUZZOYWTFBD-KTKRTIGZSA-N 0 0 308.337 3.797 50 0 DHAARN O[C@H]1CCCN(c2cc(-c3ccccc3)c3ccccc3n2)C1 ZINC000082164539 185174520 /nfs/dbraw/zinc/17/45/20/185174520.db2.gz KPBLWWBDVVXFFF-INIZCTEOSA-N 0 0 304.393 3.863 50 0 DHAARN O=C1CCCc2cc(NCc3ccc(-c4cc[nH]n4)o3)ccc2N1 ZINC000328588926 231231588 /nfs/dbraw/zinc/23/15/88/231231588.db2.gz YWKZIKWXNGADOP-UHFFFAOYSA-N 0 0 322.368 3.557 50 0 DHAARN Clc1ccccc1CC1CN(Cc2cnn3ccccc23)C1 ZINC000328594840 231235206 /nfs/dbraw/zinc/23/52/06/231235206.db2.gz CVTPHBYWLIWIQC-UHFFFAOYSA-N 0 0 311.816 3.662 50 0 DHAARN CCc1ccsc1CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000087464733 185225953 /nfs/dbraw/zinc/22/59/53/185225953.db2.gz ARSXHJVSEFVAOL-CABCVRRESA-N 0 0 303.402 3.870 50 0 DHAARN C/C=C\COC(=O)c1ccc(OCc2csc(C)n2)cc1 ZINC000096931145 185392505 /nfs/dbraw/zinc/39/25/05/185392505.db2.gz CMSZOWGCFMUHDP-ARJAWSKDSA-N 0 0 303.383 3.763 50 0 DHAARN CCCOc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cn[nH]c1 ZINC000089960319 185272063 /nfs/dbraw/zinc/27/20/63/185272063.db2.gz HVQDECJEIRKSFV-SNVBAGLBSA-N 0 0 322.796 3.735 50 0 DHAARN C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1cccc(F)c1 ZINC000096971642 185394614 /nfs/dbraw/zinc/39/46/14/185394614.db2.gz DQLHTBBJLWUJGS-OAHLLOKOSA-N 0 0 318.436 3.653 50 0 DHAARN COc1ccccc1-c1nc(Cc2cccc3ccnn32)c(C)o1 ZINC000082083635 192354133 /nfs/dbraw/zinc/35/41/33/192354133.db2.gz SWOMXHPEDJYNOU-UHFFFAOYSA-N 0 0 319.364 3.897 50 0 DHAARN COCCC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC000082083213 192354420 /nfs/dbraw/zinc/35/44/20/192354420.db2.gz KVHQXSWZTIXQOY-AWEZNQCLSA-N 0 0 309.837 3.927 50 0 DHAARN CCSc1ccc(C(=O)N2Cc3ccccc3[C@H](O)C2)s1 ZINC000082107032 192355956 /nfs/dbraw/zinc/35/59/56/192355956.db2.gz HOQTWSGKACDYEX-CYBMUJFWSA-N 0 0 319.451 3.550 50 0 DHAARN Cc1ncsc1CCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000082097991 192355589 /nfs/dbraw/zinc/35/55/89/192355589.db2.gz YOUBDRIBPVFFIY-MRXNPFEDSA-N 0 0 314.454 3.920 50 0 DHAARN Cn1nc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc21 ZINC000090610281 185306730 /nfs/dbraw/zinc/30/67/30/185306730.db2.gz HAMXMDGYRHSJRG-UHFFFAOYSA-N 0 0 303.724 3.618 50 0 DHAARN CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000000618910 190615679 /nfs/dbraw/zinc/61/56/79/190615679.db2.gz WNWZDVZZFOOOOC-UHFFFAOYSA-N 0 0 312.369 3.629 50 0 DHAARN O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(F)c1F ZINC000003262476 190617537 /nfs/dbraw/zinc/61/75/37/190617537.db2.gz BNISIGCXVQFRJB-UHFFFAOYSA-N 0 0 313.300 3.767 50 0 DHAARN Cc1ccc(CN2C(=O)S[C@H](Nc3ccccc3)C2=O)cc1 ZINC000004151304 190618740 /nfs/dbraw/zinc/61/87/40/190618740.db2.gz WMLJWOVTJNPGAJ-HNNXBMFYSA-N 0 0 312.394 3.629 50 0 DHAARN O=C(Cc1ccc(F)cc1)N(Cc1ccccc1)c1ccccn1 ZINC000000339771 190612573 /nfs/dbraw/zinc/61/25/73/190612573.db2.gz KPIFSFIPQNUNBH-UHFFFAOYSA-N 0 0 320.367 3.997 50 0 DHAARN COc1ccccc1[C@H](C)NC(=O)c1ccccc1SC ZINC000006847726 190624361 /nfs/dbraw/zinc/62/43/61/190624361.db2.gz JLZGGPQLLWZRBQ-LBPRGKRZSA-N 0 0 301.411 3.908 50 0 DHAARN COc1cc(C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000007990140 190629787 /nfs/dbraw/zinc/62/97/87/190629787.db2.gz FMZOTYSEMSPXHK-UHFFFAOYSA-N 0 0 313.397 3.946 50 0 DHAARN CC(=O)Nc1ccc(-n2ccnc2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000082133942 192361167 /nfs/dbraw/zinc/36/11/67/192361167.db2.gz IKBYJTHAHADEST-CQSZACIVSA-N 0 0 313.401 3.503 50 0 DHAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccnc2-n2ccnc2C)C1(C)C ZINC000096999291 185395876 /nfs/dbraw/zinc/39/58/76/185395876.db2.gz DRZKEVXJKOKCBQ-GDBMZVCRSA-N 0 0 324.428 3.753 50 0 DHAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000095389022 185351269 /nfs/dbraw/zinc/35/12/69/185351269.db2.gz WKJVMCXQAPCFBP-CYBMUJFWSA-N 0 0 303.431 3.545 50 0 DHAARN CCN(C(=O)c1ccc[nH]1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000095396481 185352844 /nfs/dbraw/zinc/35/28/44/185352844.db2.gz XUBGLLWDZKAZJY-GOSISDBHSA-N 0 0 323.371 3.801 50 0 DHAARN CCc1ocnc1C(=O)OCc1ccc(Oc2cccnc2)cc1 ZINC000095399981 185354126 /nfs/dbraw/zinc/35/41/26/185354126.db2.gz WGTUZIPIDRVABQ-UHFFFAOYSA-N 0 0 324.336 3.781 50 0 DHAARN CCO[C@H](C)c1nc(CSc2ccc(Cl)nn2)cs1 ZINC000095401573 185354649 /nfs/dbraw/zinc/35/46/49/185354649.db2.gz ONVAUBIUXSFMPH-MRVPVSSYSA-N 0 0 315.851 3.976 50 0 DHAARN Cc1ncsc1CN(C)C(=O)[C@H]1SCCc2sccc21 ZINC000095403528 185355132 /nfs/dbraw/zinc/35/51/32/185355132.db2.gz POYOYRJYDPYZCF-ZDUSSCGKSA-N 0 0 324.496 3.502 50 0 DHAARN CCc1nc(CSCc2nccn2CC(F)(F)F)cs1 ZINC000095403747 185355228 /nfs/dbraw/zinc/35/52/28/185355228.db2.gz MYIZCDRHCOIUSI-UHFFFAOYSA-N 0 0 321.393 3.898 50 0 DHAARN CSCc1cccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000095416110 185359151 /nfs/dbraw/zinc/35/91/51/185359151.db2.gz DXVXMRUAOZPYQG-BZUAXINKSA-N 0 0 320.458 3.629 50 0 DHAARN FC(F)(F)c1ccc2oc(CSc3cnccn3)nc2c1 ZINC000095425981 185361868 /nfs/dbraw/zinc/36/18/68/185361868.db2.gz PQWOFJZPJLUMFD-UHFFFAOYSA-N 0 0 311.288 3.929 50 0 DHAARN CCc1nnc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)n1C ZINC000097000415 185396240 /nfs/dbraw/zinc/39/62/40/185396240.db2.gz KXFRILRIIAGAPZ-SECBINFHSA-N 0 0 313.232 3.535 50 0 DHAARN C[S@@](=O)Cc1cccc(NCc2ccc(Cl)c(F)c2)c1 ZINC000095429168 185362667 /nfs/dbraw/zinc/36/26/67/185362667.db2.gz NIWSOTCESFCUKW-FQEVSTJZSA-N 0 0 311.809 3.970 50 0 DHAARN Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1cccc2cccnc21 ZINC000095434357 185364474 /nfs/dbraw/zinc/36/44/74/185364474.db2.gz VGKVMYUQEQPHAT-NSHDSACASA-N 0 0 324.384 3.765 50 0 DHAARN C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc2[nH]ccc21 ZINC000095435122 185364565 /nfs/dbraw/zinc/36/45/65/185364565.db2.gz QFPDBBIDYZFCRK-LLVKDONJSA-N 0 0 312.394 3.621 50 0 DHAARN Cc1nnccc1C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000095435252 185364732 /nfs/dbraw/zinc/36/47/32/185364732.db2.gz PYAAYSFPHQPFOA-LBPRGKRZSA-N 0 0 315.804 3.804 50 0 DHAARN c1cn2cc(CN[C@H]3CCSc4ccccc43)nc2s1 ZINC000095421019 185360527 /nfs/dbraw/zinc/36/05/27/185360527.db2.gz GPFFAXHLVUKIMF-ZDUSSCGKSA-N 0 0 301.440 3.723 50 0 DHAARN O=C(Nc1cccc(O)c1F)c1csc(Br)c1 ZINC000095446724 185367625 /nfs/dbraw/zinc/36/76/25/185367625.db2.gz NEXAHYYHKWBYRU-UHFFFAOYSA-N 0 0 316.151 3.608 50 0 DHAARN O=C(NCc1ccccc1)c1cccc(NCc2cscn2)c1 ZINC000095447462 185367845 /nfs/dbraw/zinc/36/78/45/185367845.db2.gz IKJWFTGKUBRGEA-UHFFFAOYSA-N 0 0 323.421 3.685 50 0 DHAARN Cc1nncn1-c1cccc(NC(=O)c2coc3ccccc23)c1 ZINC000095450806 185369027 /nfs/dbraw/zinc/36/90/27/185369027.db2.gz ARXYZGYZHOXCFL-UHFFFAOYSA-N 0 0 318.336 3.574 50 0 DHAARN CC(C)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000095436624 185365279 /nfs/dbraw/zinc/36/52/79/185365279.db2.gz GFNIXSQFIWYIPI-UHFFFAOYSA-N 0 0 304.777 3.884 50 0 DHAARN CSc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccn1 ZINC000095452237 185369345 /nfs/dbraw/zinc/36/93/45/185369345.db2.gz CROYRJXMQAMTBO-ZIAGYGMSSA-N 0 0 302.374 3.685 50 0 DHAARN CCSc1ccccc1OCc1nc(-c2ccncc2)no1 ZINC000095438631 185365657 /nfs/dbraw/zinc/36/56/57/185365657.db2.gz UXWNJOBFZWZORQ-UHFFFAOYSA-N 0 0 313.382 3.823 50 0 DHAARN CCc1sc([C@@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1C ZINC000095440052 185365907 /nfs/dbraw/zinc/36/59/07/185365907.db2.gz OYGPIQPSILSWJL-QWHCGFSZSA-N 0 0 309.475 3.859 50 0 DHAARN CC(=O)c1c(F)cccc1N1CCC(Cc2cccnc2)CC1 ZINC000095458002 185370284 /nfs/dbraw/zinc/37/02/84/185370284.db2.gz RIVAGDFGRHNSSE-UHFFFAOYSA-N 0 0 312.388 3.882 50 0 DHAARN CCc1cccc(C)c1NC(=O)Cc1ccccc1C(=O)OC ZINC000095457305 185370407 /nfs/dbraw/zinc/37/04/07/185370407.db2.gz XWUOREZWTQTOTI-UHFFFAOYSA-N 0 0 311.381 3.525 50 0 DHAARN CCN(CC)C(=O)COc1ccc(Cl)cc1C(F)(F)F ZINC000095464689 185371590 /nfs/dbraw/zinc/37/15/90/185371590.db2.gz XCXRHYCSCGFBJY-UHFFFAOYSA-N 0 0 309.715 3.606 50 0 DHAARN CSCc1cccc(NC(=O)N[C@@H](C)C2CCOCC2)c1C ZINC000097016030 185397507 /nfs/dbraw/zinc/39/75/07/185397507.db2.gz XDJQMSXXOJPWDC-ZDUSSCGKSA-N 0 0 322.474 3.795 50 0 DHAARN C[C@H](NC(=O)/C=C\c1ccco1)c1ccc(NC(=O)C2CC2)cc1 ZINC000097030006 185399168 /nfs/dbraw/zinc/39/91/68/185399168.db2.gz DTUHDQZZYJDMLS-OEYXZAGESA-N 0 0 324.380 3.519 50 0 DHAARN CCCc1sc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1CC ZINC000097032364 185399288 /nfs/dbraw/zinc/39/92/88/185399288.db2.gz LPOCGLOCFSVLHK-RYUDHWBXSA-N 0 0 309.475 3.949 50 0 DHAARN CCCc1sc(C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1CC ZINC000097032363 185399384 /nfs/dbraw/zinc/39/93/84/185399384.db2.gz LPOCGLOCFSVLHK-VXGBXAGGSA-N 0 0 309.475 3.949 50 0 DHAARN O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)C1CC(=O)C1 ZINC000097032158 185399522 /nfs/dbraw/zinc/39/95/22/185399522.db2.gz KPRGAPWAMNCUDV-KRWDZBQOSA-N 0 0 313.784 3.525 50 0 DHAARN Cc1cnc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)o1 ZINC000097086262 185407829 /nfs/dbraw/zinc/40/78/29/185407829.db2.gz BISNHAGDAKOHSE-LBPRGKRZSA-N 0 0 306.234 3.654 50 0 DHAARN O=C(NCc1ccc(Br)s1)c1ccsc1 ZINC000025473396 190650456 /nfs/dbraw/zinc/65/04/56/190650456.db2.gz XJXLPEQEDJABHO-UHFFFAOYSA-N 0 0 302.218 3.502 50 0 DHAARN Cc1ccc(OCCCO[C@H]2CCCc3c[nH]nc32)cc1C ZINC000097104249 185410248 /nfs/dbraw/zinc/41/02/48/185410248.db2.gz XFYQVTFCHHXBQU-KRWDZBQOSA-N 0 0 300.402 3.890 50 0 DHAARN CCOC(=O)c1cc2cc(C(=O)N(C)c3ccccc3)ccc2[nH]1 ZINC000024482767 190649369 /nfs/dbraw/zinc/64/93/69/190649369.db2.gz GOACKFPKPSESGR-UHFFFAOYSA-N 0 0 322.364 3.621 50 0 DHAARN CC(=O)c1ccc(N(C)C)cc1OCc1ncc(C(C)C)o1 ZINC000097114898 185412560 /nfs/dbraw/zinc/41/25/60/185412560.db2.gz KRDYGXUYERXJLU-UHFFFAOYSA-N 0 0 302.374 3.646 50 0 DHAARN CCSc1nccnc1-c1noc(-c2ccccc2Cl)n1 ZINC000225515600 201725137 /nfs/dbraw/zinc/72/51/37/201725137.db2.gz DZTFGNWXSUNLTK-UHFFFAOYSA-N 0 0 318.789 3.959 50 0 DHAARN C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)[C@H]1CCO[C@H]1C ZINC000170053019 197766771 /nfs/dbraw/zinc/76/67/71/197766771.db2.gz WXNXNMUEGAZUCA-JKXTYRPNSA-N 0 0 322.348 3.572 50 0 DHAARN Brc1cnn(Cc2csc(C3CCCC3)n2)c1 ZINC000063887540 190701264 /nfs/dbraw/zinc/70/12/64/190701264.db2.gz XTYJCXJDACPKFJ-UHFFFAOYSA-N 0 0 312.236 3.808 50 0 DHAARN CC[C@@H]1Cn2c(C(=O)NCc3ccc(C)o3)cc3cccc(c32)O1 ZINC000064657920 190703573 /nfs/dbraw/zinc/70/35/73/190703573.db2.gz WZNPJDILVPUVAT-CQSZACIVSA-N 0 0 324.380 3.644 50 0 DHAARN CC(C)n1cnc2cc(CNC(=O)Cc3ccsc3)ccc21 ZINC000064754849 190704292 /nfs/dbraw/zinc/70/42/92/190704292.db2.gz FMVLNNKOJYCSNO-UHFFFAOYSA-N 0 0 313.426 3.538 50 0 DHAARN Cc1cc(NC(=O)c2cc(C(C)C)n3nccc3n2)ccc1F ZINC000064760801 190704539 /nfs/dbraw/zinc/70/45/39/190704539.db2.gz YWMWQXUAWJMWPI-UHFFFAOYSA-N 0 0 312.348 3.553 50 0 DHAARN Fc1cc(F)cc(CCNc2ncnc3cccc(F)c32)c1 ZINC000170605774 197787961 /nfs/dbraw/zinc/78/79/61/197787961.db2.gz VUHKSMAXZKVHOA-UHFFFAOYSA-N 0 0 303.287 3.702 50 0 DHAARN Cc1cnc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)s1 ZINC000227165901 201795445 /nfs/dbraw/zinc/79/54/45/201795445.db2.gz GQTCLSSPWKXBAU-LBPRGKRZSA-N 0 0 312.398 3.515 50 0 DHAARN CC1(C)[C@H](OC(=O)c2nccc3ccccc32)[C@H]2CCCO[C@H]21 ZINC000230161673 201869263 /nfs/dbraw/zinc/86/92/63/201869263.db2.gz KSPSFWLBFAAXQS-USXIJHARSA-N 0 0 311.381 3.595 50 0 DHAARN FC(F)(F)c1cccc(CNc2nnc([C@H]3CCCO3)o2)c1 ZINC000181969966 199368772 /nfs/dbraw/zinc/36/87/72/199368772.db2.gz SHPPXAYTAWEEHU-LLVKDONJSA-N 0 0 313.279 3.552 50 0 DHAARN CCOc1cccc([C@@H](C)NC(=O)Cc2noc3ccccc23)c1 ZINC000069775720 190816017 /nfs/dbraw/zinc/81/60/17/190816017.db2.gz DGBWAZNSIPYESH-CYBMUJFWSA-N 0 0 324.380 3.646 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000080344749 192149831 /nfs/dbraw/zinc/14/98/31/192149831.db2.gz YACJHPDKODYZNK-HOTGVXAUSA-N 0 0 309.365 3.508 50 0 DHAARN Cc1ccc(C)c(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000080344723 192150902 /nfs/dbraw/zinc/15/09/02/192150902.db2.gz MALKJZNCFVSTNE-HOTGVXAUSA-N 0 0 323.392 3.817 50 0 DHAARN Clc1ccccc1CSc1ccc(-n2cccn2)nn1 ZINC000070635212 190909182 /nfs/dbraw/zinc/90/91/82/190909182.db2.gz YFNYPHHDHREOAW-UHFFFAOYSA-N 0 0 302.790 3.608 50 0 DHAARN CC(C)c1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@H](C)C3)cc1 ZINC000071384756 190964355 /nfs/dbraw/zinc/96/43/55/190964355.db2.gz FQEPOGSCFCTDDF-ZDUSSCGKSA-N 0 0 324.424 3.875 50 0 DHAARN O=[S@@](Cc1coc(-c2cccs2)n1)c1cccc(F)c1 ZINC000083979135 192392844 /nfs/dbraw/zinc/39/28/44/192392844.db2.gz JGZLESNSXWWPJM-HXUWFJFHSA-N 0 0 307.371 3.850 50 0 DHAARN Cc1cc(OCCOc2nnc3ccccn32)ccc1C(C)C ZINC000084090081 192401238 /nfs/dbraw/zinc/40/12/38/192401238.db2.gz BQQLRGXKFCQPKQ-UHFFFAOYSA-N 0 0 311.385 3.619 50 0 DHAARN Cc1ccc(-c2ccnc(N[C@H](C)Cc3cccnc3)n2)c(C)n1 ZINC000071712287 191011538 /nfs/dbraw/zinc/01/15/38/191011538.db2.gz VRMTXDYWOIKYQI-CQSZACIVSA-N 0 0 319.412 3.594 50 0 DHAARN Cc1ccsc1-c1nccn1CCCn1nnc2ccccc21 ZINC000071681966 191006579 /nfs/dbraw/zinc/00/65/79/191006579.db2.gz RSLGVFNAZKFIRA-UHFFFAOYSA-N 0 0 323.425 3.755 50 0 DHAARN O=C(c1csnn1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000084515185 192436514 /nfs/dbraw/zinc/43/65/14/192436514.db2.gz XQBLOCKBNJPBMM-NKSUMMKUSA-N 0 0 313.426 3.636 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)Nc1nccc(-c2ccc(C)nc2C)n1 ZINC000071746359 191019414 /nfs/dbraw/zinc/01/94/14/191019414.db2.gz PNFDIQOQXJSXNN-LBPRGKRZSA-N 0 0 322.416 3.668 50 0 DHAARN CCc1nc(Cn2ccnc2-c2cccc(-c3ccco3)c2)no1 ZINC000071748791 191020851 /nfs/dbraw/zinc/02/08/51/191020851.db2.gz WXRREYHNFQHNMK-UHFFFAOYSA-N 0 0 320.352 3.804 50 0 DHAARN O=C(c1ccccc1-c1ncc[nH]1)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071753675 191023633 /nfs/dbraw/zinc/02/36/33/191023633.db2.gz ZIQJRUZKPREJDW-MLXTZYFGSA-N 0 0 321.424 3.585 50 0 DHAARN Oc1ccc(CCn2ccnc2-c2cccc(F)c2F)cc1 ZINC000071760162 191025684 /nfs/dbraw/zinc/02/56/84/191025684.db2.gz TTXONSHUYIUGED-UHFFFAOYSA-N 0 0 300.308 3.777 50 0 DHAARN COc1ccc2c(c1)CCN1Cc3[nH]c4ccccc4c3C[C@@H]21 ZINC000071769143 191028531 /nfs/dbraw/zinc/02/85/31/191028531.db2.gz PPHXAWMEWGQMQD-FQEVSTJZSA-N 0 0 304.393 3.832 50 0 DHAARN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2-c2ncc[nH]2)o1 ZINC000072139161 191047406 /nfs/dbraw/zinc/04/74/06/191047406.db2.gz BKSBYFUOLIXDES-UHFFFAOYSA-N 0 0 308.316 3.970 50 0 DHAARN c1cn(Cc2ccccc2)c(CN2CCC[C@H]2c2ccccn2)n1 ZINC000072140387 191047786 /nfs/dbraw/zinc/04/77/86/191047786.db2.gz MILMWLHNLTYERR-IBGZPJMESA-N 0 0 318.424 3.664 50 0 DHAARN O=C(CC1CCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000072115462 191038374 /nfs/dbraw/zinc/03/83/74/191038374.db2.gz GZHRYSGLRRRKSL-UHFFFAOYSA-N 0 0 314.429 3.832 50 0 DHAARN CCCN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@H]1O ZINC000072117736 191039256 /nfs/dbraw/zinc/03/92/56/191039256.db2.gz IKYYMCXSPSLQHQ-LSDHHAIUSA-N 0 0 310.825 3.887 50 0 DHAARN C[C@@]1(O)CCN(c2ccc(Cl)cn2)C[C@@H]1Cc1ccccc1 ZINC000072127346 191043446 /nfs/dbraw/zinc/04/34/46/191043446.db2.gz QVPYDNDCZAHCGL-MAUKXSAKSA-N 0 0 316.832 3.555 50 0 DHAARN CC(=O)Oc1ccc2c(c1)CC=C1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000140509793 186027002 /nfs/dbraw/zinc/02/70/02/186027002.db2.gz DBXQAPGFWYIOGN-HQRMLTQVSA-N 0 0 310.393 3.957 50 0 DHAARN c1cnn(C[C@@H](Nc2ccc3cc[nH]c3n2)c2ccccc2)c1 ZINC000072148059 191054609 /nfs/dbraw/zinc/05/46/09/191054609.db2.gz KXMPLRYYIXMNTK-MRXNPFEDSA-N 0 0 303.369 3.613 50 0 DHAARN O=C(NC[C@@H]1CCOC1)Nc1cccc(-c2cccs2)c1 ZINC000072230604 191078708 /nfs/dbraw/zinc/07/87/08/191078708.db2.gz DWUYPGKLRXHCEI-LBPRGKRZSA-N 0 0 302.399 3.573 50 0 DHAARN Cc1csc([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 ZINC000072232500 191078953 /nfs/dbraw/zinc/07/89/53/191078953.db2.gz ZWDAWRYPPLAOTD-HNNXBMFYSA-N 0 0 318.417 3.887 50 0 DHAARN C[C@H](Nc1cncc(-n2cccn2)n1)c1cc2ccccc2o1 ZINC000084647709 192449841 /nfs/dbraw/zinc/44/98/41/192449841.db2.gz NGZDKZCQHRKYLZ-LBPRGKRZSA-N 0 0 305.341 3.582 50 0 DHAARN CCn1nc(C)c2nc(C(C)C)nc(N(C)Cc3ccco3)c21 ZINC000072238318 191081902 /nfs/dbraw/zinc/08/19/02/191081902.db2.gz DKNUIQHAXBUSTK-UHFFFAOYSA-N 0 0 313.405 3.507 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2O)[nH]n1 ZINC000072238561 191082337 /nfs/dbraw/zinc/08/23/37/191082337.db2.gz DDUVDIADCXDGJM-UHFFFAOYSA-N 0 0 313.744 3.688 50 0 DHAARN C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000084651714 192451281 /nfs/dbraw/zinc/45/12/81/192451281.db2.gz RLGISGJQXBHHHP-QMMMGPOBSA-N 0 0 309.774 3.621 50 0 DHAARN CCOc1cc(C(=O)N[C@H](C)c2ccncc2)cc2occc21 ZINC000072240106 191084115 /nfs/dbraw/zinc/08/41/15/191084115.db2.gz UXMJIYFWOILPDP-GFCCVEGCSA-N 0 0 310.353 3.718 50 0 DHAARN O=C(NC[C@@H]1CCCO1)c1ccc(Oc2cccc(Cl)c2)o1 ZINC000072264833 191089605 /nfs/dbraw/zinc/08/96/05/191089605.db2.gz PLCALQNQOKVYKK-ZDUSSCGKSA-N 0 0 321.760 3.634 50 0 DHAARN CCCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000072273005 191095352 /nfs/dbraw/zinc/09/53/52/191095352.db2.gz UHWDOROBTHEMQZ-SFHVURJKSA-N 0 0 317.454 3.690 50 0 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O=C(Nc1cccc(Br)c1Cl)c1cccnc1 ZINC000253393034 186303491 /nfs/dbraw/zinc/30/34/91/186303491.db2.gz OVBBYHZYLBEWSR-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN CC(C)Cc1nsc(N2CCC(c3nccs3)CC2)n1 ZINC000253397496 186305994 /nfs/dbraw/zinc/30/59/94/186305994.db2.gz XVTDKKPGTBWQDM-UHFFFAOYSA-N 0 0 308.476 3.577 50 0 DHAARN COc1ncccc1NC(=O)C[C@@H](c1ccccc1)n1cccc1 ZINC000253412663 186309855 /nfs/dbraw/zinc/30/98/55/186309855.db2.gz RRFBSVWKAYHVGD-KRWDZBQOSA-N 0 0 321.380 3.510 50 0 DHAARN CCc1noc([C@H]2CCCCN2Cc2cc(F)cc(F)c2)n1 ZINC000072329920 191123892 /nfs/dbraw/zinc/12/38/92/191123892.db2.gz DTCMCTSEIXQZHY-CQSZACIVSA-N 0 0 307.344 3.637 50 0 DHAARN O=C(NCc1cccc(Cl)c1)c1c[nH]nc1-c1cccs1 ZINC000072329455 191123956 /nfs/dbraw/zinc/12/39/56/191123956.db2.gz GMZJGUUKILGLBS-UHFFFAOYSA-N 0 0 317.801 3.722 50 0 DHAARN COc1cc(C(=O)NCc2ccccc2)nc2c(C)cc(F)cc12 ZINC000072329495 191124009 /nfs/dbraw/zinc/12/40/09/191124009.db2.gz ORAOPCMKFLGGRA-UHFFFAOYSA-N 0 0 324.355 3.621 50 0 DHAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCC(C)C)cc1Cl ZINC000072329306 191124087 /nfs/dbraw/zinc/12/40/87/191124087.db2.gz RKEHPJOEQLBQII-UHFFFAOYSA-N 0 0 321.808 3.515 50 0 DHAARN CCc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000072331283 191124330 /nfs/dbraw/zinc/12/43/30/191124330.db2.gz GHCMRMBVQFTGAB-UHFFFAOYSA-N 0 0 308.425 3.520 50 0 DHAARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000072331205 191124547 /nfs/dbraw/zinc/12/45/47/191124547.db2.gz NNPDWKRJYCCBCG-UHFFFAOYSA-N 0 0 314.816 3.611 50 0 DHAARN CCc1noc([C@@H]2CCCCN2Cc2cc(F)cc(F)c2)n1 ZINC000072329919 191124579 /nfs/dbraw/zinc/12/45/79/191124579.db2.gz DTCMCTSEIXQZHY-AWEZNQCLSA-N 0 0 307.344 3.637 50 0 DHAARN O=C1C[C@H](c2cccc(F)c2)c2cnn(Cc3ccco3)c2N1 ZINC000072406446 191152876 /nfs/dbraw/zinc/15/28/76/191152876.db2.gz IYKZLLLLTWGPIR-CQSZACIVSA-N 0 0 311.316 3.787 50 0 DHAARN O=C1C[C@H](c2ccccc2F)c2cnn(Cc3ccco3)c2N1 ZINC000072405806 191151888 /nfs/dbraw/zinc/15/18/88/191151888.db2.gz IHWCYJOZZMKHHK-CYBMUJFWSA-N 0 0 311.316 3.787 50 0 DHAARN Cc1[nH]cnc1-c1nccn1-c1ccc(Nc2ccccc2)nc1 ZINC000072420229 191156768 /nfs/dbraw/zinc/15/67/68/191156768.db2.gz LBEKFEJVOHQXIX-UHFFFAOYSA-N 0 0 316.368 3.709 50 0 DHAARN CCC[C@H](C)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 ZINC000000074165 180684599 /nfs/dbraw/zinc/68/45/99/180684599.db2.gz MVOBKEOLRXJLMU-NSHDSACASA-N 0 0 319.430 3.512 50 0 DHAARN S=C1N=C(c2ccccc2)C[C@H](c2ccccc2Cl)N1 ZINC000000086539 180688235 /nfs/dbraw/zinc/68/82/35/180688235.db2.gz XMVFLDOQVNPPKF-OAHLLOKOSA-N 0 0 300.814 3.900 50 0 DHAARN CCc1cc(N[C@H](C)c2ccc(F)cc2F)n2nccc2n1 ZINC000072425504 191160426 /nfs/dbraw/zinc/16/04/26/191160426.db2.gz VWCYYPWZFMIGTE-SNVBAGLBSA-N 0 0 302.328 3.743 50 0 DHAARN Cc1cc2nc(C(C)C)cc(NCc3cc(C(C)C)no3)n2n1 ZINC000072426504 191161710 /nfs/dbraw/zinc/16/17/10/191161710.db2.gz BNHUVZMQORDCDQ-UHFFFAOYSA-N 0 0 313.405 3.885 50 0 DHAARN CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccco1 ZINC000072429504 191163589 /nfs/dbraw/zinc/16/35/89/191163589.db2.gz PEGLWRMFQLNMRD-UHFFFAOYSA-N 0 0 304.396 3.737 50 0 DHAARN COC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000000138238 180704962 /nfs/dbraw/zinc/70/49/62/180704962.db2.gz YOEWALPUSNQMHK-UHFFFAOYSA-N 0 0 306.745 3.714 50 0 biogenic DHAARN Cc1nc2sc3c(c2c(-n2cnc4ccccc42)n1)CCC3 ZINC000000142903 180706373 /nfs/dbraw/zinc/70/63/73/180706373.db2.gz UPVCFBVIGJYKCY-UHFFFAOYSA-N 0 0 306.394 3.827 50 0 DHAARN COc1ccc(-c2nc3ccccc3c(N3CCCC3)n2)cc1 ZINC000000144814 180706906 /nfs/dbraw/zinc/70/69/06/180706906.db2.gz VLJHDAQMZWPVON-UHFFFAOYSA-N 0 0 305.381 3.906 50 0 DHAARN COc1cccc([C@@H]2CCN(c3ccc4cc[nH]c4n3)C2)c1OC ZINC000072463404 191173630 /nfs/dbraw/zinc/17/36/30/191173630.db2.gz VNXYSFZFWIECHV-CQSZACIVSA-N 0 0 323.396 3.574 50 0 DHAARN CC(C)c1cc(NCc2cccc3[nH]ccc32)n2nccc2n1 ZINC000072469375 191176218 /nfs/dbraw/zinc/17/62/18/191176218.db2.gz OIMOSQPWMYLHFG-UHFFFAOYSA-N 0 0 305.385 3.946 50 0 DHAARN c1cc2n(c1)-c1ccccc1N[C@H]2c1ccc2nsnc2c1 ZINC000000158241 180711743 /nfs/dbraw/zinc/71/17/43/180711743.db2.gz ZRWBIPWVJUYASZ-KRWDZBQOSA-N 0 0 304.378 3.997 50 0 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COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000000282818 180747212 /nfs/dbraw/zinc/74/72/12/180747212.db2.gz MADHBRSPSDIBAY-UHFFFAOYSA-N 0 0 305.399 3.619 50 0 DHAARN CCCc1nn2c(nnc2-c2cccc(C(F)(F)F)c2)s1 ZINC000000385333 180773822 /nfs/dbraw/zinc/77/38/22/180773822.db2.gz JHTRPYLKYLEJSM-UHFFFAOYSA-N 0 0 312.320 3.824 50 0 DHAARN COc1ccc(C)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C ZINC000000352714 180764662 /nfs/dbraw/zinc/76/46/62/180764662.db2.gz FGENSCRHDKKOPP-MOPGFXCFSA-N 0 0 315.413 3.728 50 0 DHAARN Cc1ccc(O)c(NC(=O)c2ccccc2Br)c1 ZINC000000405579 180778123 /nfs/dbraw/zinc/77/81/23/180778123.db2.gz NLJCKNSJJSWZHW-UHFFFAOYSA-N 0 0 306.159 3.715 50 0 DHAARN Cc1cccc(NC(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000000386878 180774845 /nfs/dbraw/zinc/77/48/45/180774845.db2.gz JKGVRCHUVGWRLO-UHFFFAOYSA-N 0 0 309.413 3.658 50 0 DHAARN Cc1cc2ccccc2n1CCNC(=O)[C@@H](C)Oc1ccccc1 ZINC000000427905 180787478 /nfs/dbraw/zinc/78/74/78/180787478.db2.gz CRHFPPSUQGVFCL-MRXNPFEDSA-N 0 0 322.408 3.533 50 0 DHAARN O=C1CS[C@@H](c2cccc(F)c2)N1c1c(F)cccc1F ZINC000000424036 180785068 /nfs/dbraw/zinc/78/50/68/180785068.db2.gz RPVHTUVCHHOXSY-HNNXBMFYSA-N 0 0 309.312 3.883 50 0 DHAARN CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000000460891 180798015 /nfs/dbraw/zinc/79/80/15/180798015.db2.gz QKBATLMLCIXNPL-MDWZMJQESA-N 0 0 308.381 3.933 50 0 DHAARN CCc1c(C)c2ccc(OCC(=O)C(C)(C)C)c(C)c2oc1=O ZINC000000465582 180799211 /nfs/dbraw/zinc/79/92/11/180799211.db2.gz QOXTUXDJOTWMGW-UHFFFAOYSA-N 0 0 316.397 3.966 50 0 DHAARN O=C(COC(=O)[C@H]1C=CCCC1)c1ccc(Br)cc1 ZINC000000448530 180794544 /nfs/dbraw/zinc/79/45/44/180794544.db2.gz CATWLMSASIDGPX-LBPRGKRZSA-N 0 0 323.186 3.531 50 0 DHAARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2Cl)c1 ZINC000000451203 180795553 /nfs/dbraw/zinc/79/55/53/180795553.db2.gz LTLAVLDTCQUBFZ-NSHDSACASA-N 0 0 319.788 3.848 50 0 DHAARN CC(=O)c1c(OC(=O)c2ccc(C)cc2)c2ccccc2n1C ZINC000000472521 180801704 /nfs/dbraw/zinc/80/17/04/180801704.db2.gz UJZAISBWBNWFFA-UHFFFAOYSA-N 0 0 307.349 3.909 50 0 DHAARN CCN(C1CCCCC1)S(=O)(=O)c1ccc(C)c(C)c1C ZINC000000475034 180802714 /nfs/dbraw/zinc/80/27/14/180802714.db2.gz DNGLAPLOCDCTIZ-UHFFFAOYSA-N 0 0 309.475 3.955 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1cccs1 ZINC000000476432 180803211 /nfs/dbraw/zinc/80/32/11/180803211.db2.gz IILVPWGJKMRGNA-MDZDMXLPSA-N 0 0 301.367 3.577 50 0 DHAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000476003 180803231 /nfs/dbraw/zinc/80/32/31/180803231.db2.gz QYXYAWSLCKRDAX-UHFFFAOYSA-N 0 0 303.855 3.643 50 0 DHAARN COC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 ZINC000000484526 180805486 /nfs/dbraw/zinc/80/54/86/180805486.db2.gz BNAPFRFTKFBMMQ-UHFFFAOYSA-N 0 0 315.394 3.512 50 0 DHAARN Cc1ccc(CCS(=O)(=O)c2ccc(C(C)C)cc2)cn1 ZINC000000495423 180807435 /nfs/dbraw/zinc/80/74/35/180807435.db2.gz CXLFDTUFAQEXIT-UHFFFAOYSA-N 0 0 303.427 3.530 50 0 DHAARN FC(F)(F)CCSc1nnc(C2CC2)n1Cc1ccco1 ZINC000072970159 191258388 /nfs/dbraw/zinc/25/83/88/191258388.db2.gz VZGZKFXNYGMDBS-UHFFFAOYSA-N 0 0 317.336 3.841 50 0 DHAARN CN(C)c1ccc([C@H]2OCC[C@@]3(CCOC(C)(C)C3)O2)cc1 ZINC000000517745 180811148 /nfs/dbraw/zinc/81/11/48/180811148.db2.gz RNXCDKJGMRCTGF-WMZOPIPTSA-N 0 0 305.418 3.516 50 0 biogenic DHAARN COc1cccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)c1 ZINC000000523276 180812337 /nfs/dbraw/zinc/81/23/37/180812337.db2.gz ZUATUFKLGFZBPT-IAGOWNOFSA-N 0 0 324.359 3.572 50 0 DHAARN Cc1cc(C)cc(CC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000000525757 180812706 /nfs/dbraw/zinc/81/27/06/180812706.db2.gz USMJTOLZEVRQJK-UHFFFAOYSA-N 0 0 306.409 3.686 50 0 biogenic DHAARN Cc1cccc(NC(=S)NC(=O)C=Cc2cccs2)c1C ZINC000000556230 180821088 /nfs/dbraw/zinc/82/10/88/180821088.db2.gz AYKCBJBDUXXCFS-CMDGGOBGSA-N 0 0 316.451 3.891 50 0 DHAARN COC(=O)c1ccccc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000000858464 180835935 /nfs/dbraw/zinc/83/59/35/180835935.db2.gz DRSMJNBDAWPPIK-UHFFFAOYSA-N 0 0 303.745 3.687 50 0 DHAARN Cc1cccc(-c2nnc(NC(=O)c3ccccc3F)s2)c1 ZINC000000987481 180839147 /nfs/dbraw/zinc/83/91/47/180839147.db2.gz CMMGLTBSFNWOBT-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN CCOC(=O)c1cc(C)sc1NC(=O)c1cccc(F)c1 ZINC000001053613 180843285 /nfs/dbraw/zinc/84/32/85/180843285.db2.gz BEECDPLPNOUYGT-UHFFFAOYSA-N 0 0 307.346 3.625 50 0 DHAARN C[C@@H](NC(=O)c1sc2ccccc2c1Cl)[C@H]1CCCO1 ZINC000001054586 180843482 /nfs/dbraw/zinc/84/34/82/180843482.db2.gz ZPOLVNPAJUQHAV-MWLCHTKSSA-N 0 0 309.818 3.852 50 0 DHAARN CCC1(CC)Cc2ccccc2-c2nc3n(c(=O)c21)CCS3 ZINC000001208580 180849239 /nfs/dbraw/zinc/84/92/39/180849239.db2.gz TWYDZCDTEMKRRI-UHFFFAOYSA-N 0 0 312.438 3.630 50 0 DHAARN COc1ccc(CNC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000001390444 180859016 /nfs/dbraw/zinc/85/90/16/180859016.db2.gz BQPNDOUSADCGMQ-UHFFFAOYSA-N 0 0 315.369 3.979 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000001456707 180867746 /nfs/dbraw/zinc/86/77/46/180867746.db2.gz VQDCMAQZEHDHCB-ZIAGYGMSSA-N 0 0 303.427 3.506 50 0 DHAARN CCN(CCOC(=O)Nc1ccccc1F)c1ccccc1 ZINC000001752773 180894369 /nfs/dbraw/zinc/89/43/69/180894369.db2.gz PHBHSKUOJRJBAN-UHFFFAOYSA-N 0 0 302.349 3.901 50 0 DHAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000001960551 180904092 /nfs/dbraw/zinc/90/40/92/180904092.db2.gz ITGBGKMKMKWBGP-UHFFFAOYSA-N 0 0 324.163 3.789 50 0 DHAARN Cc1ccc(S(=O)(=O)Oc2ccc3ccc(O)cc3c2)cc1 ZINC000002069629 180908834 /nfs/dbraw/zinc/90/88/34/180908834.db2.gz OXFRWILFTPFWNC-UHFFFAOYSA-N 0 0 314.362 3.622 50 0 DHAARN CCCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1O ZINC000002069757 180908857 /nfs/dbraw/zinc/90/88/57/180908857.db2.gz CFRQFHNRELJHOC-UHFFFAOYSA-N 0 0 313.353 3.520 50 0 DHAARN O=C(NCCCCc1ccccc1)c1ccc(Br)o1 ZINC000002080140 180909264 /nfs/dbraw/zinc/90/92/64/180909264.db2.gz COIGSIMGQRLSOY-UHFFFAOYSA-N 0 0 322.202 3.795 50 0 DHAARN CCCc1cc(C(=O)Nc2ccc(Br)cc2)no1 ZINC000002465755 180925647 /nfs/dbraw/zinc/92/56/47/180925647.db2.gz CTHGUGLMKHIMQR-UHFFFAOYSA-N 0 0 309.163 3.642 50 0 DHAARN CCOC(=O)c1ccc(C(=O)CCc2cccc(F)c2)cc1 ZINC000002517327 180930467 /nfs/dbraw/zinc/93/04/67/180930467.db2.gz UGNOHMMEMPGHTM-UHFFFAOYSA-N 0 0 300.329 3.818 50 0 DHAARN CCOC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000002561782 180935179 /nfs/dbraw/zinc/93/51/79/180935179.db2.gz WXVNFSQYAALDAL-UHFFFAOYSA-N 0 0 309.159 3.544 50 0 DHAARN S=C1N=NC(Cc2cccc(Cl)c2)N1c1ccccc1 ZINC000002562049 180935737 /nfs/dbraw/zinc/93/57/37/180935737.db2.gz IMUQZUCONZAZAA-UHFFFAOYSA-N 0 0 301.802 3.800 50 0 DHAARN CCN1C(=S)N=NC1CCCOc1ccc(Cl)cc1C ZINC000002536722 180933074 /nfs/dbraw/zinc/93/30/74/180933074.db2.gz YTXXOMBBXTUUMS-UHFFFAOYSA-N 0 0 311.838 3.560 50 0 DHAARN Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)s1 ZINC000002639478 180942754 /nfs/dbraw/zinc/94/27/54/180942754.db2.gz BPMTXYNLYBDIHY-SNVBAGLBSA-N 0 0 310.806 3.819 50 0 DHAARN Cc1cccc2c1N(Cc1ccc(OC(C)C)cc1)C(=O)C2=O ZINC000002706835 180948043 /nfs/dbraw/zinc/94/80/43/180948043.db2.gz VWEWOOPQNHDTKP-UHFFFAOYSA-N 0 0 309.365 3.512 50 0 DHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc(F)cc1 ZINC000002713228 180948674 /nfs/dbraw/zinc/94/86/74/180948674.db2.gz YYNQUSMWJBPWMP-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN Cc1c2c(sc1NC(=O)[C@H](C)Oc1cccnc1)CCCC2 ZINC000073115484 191280475 /nfs/dbraw/zinc/28/04/75/191280475.db2.gz KBQAJOLBDPZPCP-LBPRGKRZSA-N 0 0 316.426 3.736 50 0 DHAARN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000002851506 180963455 /nfs/dbraw/zinc/96/34/55/180963455.db2.gz ZHJNMUGAYXTXEV-AWEZNQCLSA-N 0 0 324.424 3.800 50 0 DHAARN CCOC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002856510 180963800 /nfs/dbraw/zinc/96/38/00/180963800.db2.gz CAEBOVJTSDDTAN-UHFFFAOYSA-N 0 0 324.591 3.929 50 0 DHAARN CSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)cc2)n1 ZINC000002883208 180967140 /nfs/dbraw/zinc/96/71/40/180967140.db2.gz SSXKJMHKLGFDHT-UHFFFAOYSA-N 0 0 315.181 3.725 50 0 DHAARN CCCSc1ncc(Cl)c(C(=O)NCc2ccccc2)n1 ZINC000002885393 180968019 /nfs/dbraw/zinc/96/80/19/180968019.db2.gz DOHOUNXUTOEVJJ-UHFFFAOYSA-N 0 0 321.833 3.562 50 0 DHAARN CC(C)(C)SCCNC(=O)c1ccc(Br)cc1 ZINC000002986705 180974688 /nfs/dbraw/zinc/97/46/88/180974688.db2.gz PYDCSHNIYVTAHF-UHFFFAOYSA-N 0 0 316.264 3.711 50 0 DHAARN Cc1cc(C)c(NC(=O)C(=O)NCCC2=CCCCC2)c(C)c1 ZINC000002994114 180975601 /nfs/dbraw/zinc/97/56/01/180975601.db2.gz MPAUFBXSMDUAPS-UHFFFAOYSA-N 0 0 314.429 3.557 50 0 DHAARN CCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003163790 180987347 /nfs/dbraw/zinc/98/73/47/180987347.db2.gz FMTYHFQBLILLDW-UHFFFAOYSA-N 0 0 309.818 3.864 50 0 DHAARN CCOP(=O)(OCC)/C(=C/Cl)NC(=O)c1ccccc1 ZINC000003156894 180987541 /nfs/dbraw/zinc/98/75/41/180987541.db2.gz XQQPMRLLFNZUDF-ZRDIBKRKSA-N 0 0 317.709 3.720 50 0 DHAARN CN(C)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000003318332 181004379 /nfs/dbraw/zinc/00/43/79/181004379.db2.gz ZBMKOTYTDCJUDR-UHFFFAOYSA-N 0 0 323.223 3.989 50 0 DHAARN CSc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000003325831 181005595 /nfs/dbraw/zinc/00/55/95/181005595.db2.gz UKBMLEVYQQWZNT-UHFFFAOYSA-N 0 0 307.444 3.810 50 0 DHAARN COc1ccc(OC)c(/C=C/C(=O)Oc2ccccc2Cl)c1 ZINC000003286899 181000081 /nfs/dbraw/zinc/00/00/81/181000081.db2.gz WJLDRVPZCOTIPX-JXMROGBWSA-N 0 0 318.756 3.976 50 0 DHAARN O=C(CCC(=O)c1cccs1)N[C@@H]1CCCc2ccccc21 ZINC000003304134 181002270 /nfs/dbraw/zinc/00/22/70/181002270.db2.gz RTHNIUQZEXRMMZ-OAHLLOKOSA-N 0 0 313.422 3.905 50 0 DHAARN C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000003327949 181006210 /nfs/dbraw/zinc/00/62/10/181006210.db2.gz QLHKKYNMTQXZDQ-GFCCVEGCSA-N 0 0 322.330 3.822 50 0 DHAARN O=C(CSc1ccccc1F)NC(=O)c1ccc(Cl)cc1 ZINC000003328117 181006225 /nfs/dbraw/zinc/00/62/25/181006225.db2.gz AHGLDRZOQQBICM-UHFFFAOYSA-N 0 0 323.776 3.528 50 0 DHAARN CSc1ccccc1NC(=O)COc1cccc(C(C)=O)c1 ZINC000003327069 181006239 /nfs/dbraw/zinc/00/62/39/181006239.db2.gz XWWXBGQOTAYTHP-UHFFFAOYSA-N 0 0 315.394 3.629 50 0 DHAARN Cc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)no1 ZINC000003314595 181003687 /nfs/dbraw/zinc/00/36/87/181003687.db2.gz BOCAPSFGORMOBK-UHFFFAOYSA-N 0 0 313.382 3.570 50 0 DHAARN Cc1cc(C(=O)CCC(=O)NCc2ccccc2)c(C)s1 ZINC000003371938 181012157 /nfs/dbraw/zinc/01/21/57/181012157.db2.gz BZOFVPMSXBTGCA-UHFFFAOYSA-N 0 0 301.411 3.644 50 0 DHAARN CC[C@@H](C)NC(=O)CSc1cc(C)c2cccc(C)c2n1 ZINC000003381804 181013462 /nfs/dbraw/zinc/01/34/62/181013462.db2.gz CPUUQWBKGCGMQS-CYBMUJFWSA-N 0 0 302.443 3.858 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)s1 ZINC000003384798 181014079 /nfs/dbraw/zinc/01/40/79/181014079.db2.gz NQZHLRCNYARLRE-UHFFFAOYSA-N 0 0 309.774 3.505 50 0 DHAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000003389238 181014363 /nfs/dbraw/zinc/01/43/63/181014363.db2.gz RJTXGQXPHRNDAT-SSDOTTSWSA-N 0 0 313.835 3.619 50 0 DHAARN CSc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000003346610 181009992 /nfs/dbraw/zinc/00/99/92/181009992.db2.gz OVYWJYLSQKCMLA-UHFFFAOYSA-N 0 0 304.440 3.996 50 0 DHAARN O=C(Cc1csc(-c2ccccc2)n1)NCc1cccs1 ZINC000003358190 181011052 /nfs/dbraw/zinc/01/10/52/181011052.db2.gz JMFROYTUTIQHQF-UHFFFAOYSA-N 0 0 314.435 3.731 50 0 DHAARN Cc1sc2ncnc(NCCOc3ccccc3F)c2c1C ZINC000003453499 181022450 /nfs/dbraw/zinc/02/24/50/181022450.db2.gz UETCPNYJVNVCRO-UHFFFAOYSA-N 0 0 317.389 3.938 50 0 DHAARN Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccccn3)cs2)o1 ZINC000003399640 181015003 /nfs/dbraw/zinc/01/50/03/181015003.db2.gz FZPSXNADYYSMDT-BQYQJAHWSA-N 0 0 311.366 3.758 50 0 DHAARN Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000003401185 181015207 /nfs/dbraw/zinc/01/52/07/181015207.db2.gz RFTFUZDUQCDNAL-HNNXBMFYSA-N 0 0 311.381 3.512 50 0 DHAARN Cc1csc(SCC(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000003405515 181015519 /nfs/dbraw/zinc/01/55/19/181015519.db2.gz RKCXADFPHKPACJ-SNVBAGLBSA-N 0 0 310.419 3.560 50 0 DHAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)cs2)c1 ZINC000003413591 181016875 /nfs/dbraw/zinc/01/68/75/181016875.db2.gz IXZGMCGHPOBUKR-NSHDSACASA-N 0 0 320.439 3.773 50 0 DHAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccncc1 ZINC000003417110 181017011 /nfs/dbraw/zinc/01/70/11/181017011.db2.gz AERYAABTHDDSOJ-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3nccs3)o2)cc1 ZINC000003434194 181018845 /nfs/dbraw/zinc/01/88/45/181018845.db2.gz KMXVCHYILHHJRA-UHFFFAOYSA-N 0 0 312.350 3.858 50 0 DHAARN Cc1cc(C)cc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003434656 181018853 /nfs/dbraw/zinc/01/88/53/181018853.db2.gz FQOAJFBSBGQWNM-LJQANCHMSA-N 0 0 309.409 3.876 50 0 DHAARN O=C(COc1cc(Cl)ccc1Cl)NC1CCCCC1 ZINC000003469468 181024468 /nfs/dbraw/zinc/02/44/68/181024468.db2.gz BKUMDUVKHABHDA-UHFFFAOYSA-N 0 0 302.201 3.821 50 0 DHAARN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2C)C(C)C)cc1 ZINC000003481447 181025292 /nfs/dbraw/zinc/02/52/92/181025292.db2.gz KDDGDRHSUWMZET-GOSISDBHSA-N 0 0 324.424 3.697 50 0 DHAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1F ZINC000003503618 181027077 /nfs/dbraw/zinc/02/70/77/181027077.db2.gz ITBRTTSMIBETMU-JTQLQIEISA-N 0 0 315.373 3.821 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000003559843 181034577 /nfs/dbraw/zinc/03/45/77/181034577.db2.gz LANZBGHPZLHMFS-UHFFFAOYSA-N 0 0 317.772 3.698 50 0 DHAARN COc1ccccc1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000003566661 181036092 /nfs/dbraw/zinc/03/60/92/181036092.db2.gz WAGHXEROZBJBOG-UHFFFAOYSA-N 0 0 309.287 3.895 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(C)c1O ZINC000003571452 181036405 /nfs/dbraw/zinc/03/64/05/181036405.db2.gz VUVLXCFZSUGGJD-UHFFFAOYSA-N 0 0 323.348 3.530 50 0 DHAARN O=C(Cc1ccc(F)cc1)Nc1nc2ccc(F)cc2s1 ZINC000003577846 181037491 /nfs/dbraw/zinc/03/74/91/181037491.db2.gz UFFVVSGNMAXCEE-UHFFFAOYSA-N 0 0 304.321 3.756 50 0 DHAARN COc1ccccc1CNC(=O)CCSc1ccc(F)cc1 ZINC000003614845 181041362 /nfs/dbraw/zinc/04/13/62/181041362.db2.gz DRHLUSFAMBCTGZ-UHFFFAOYSA-N 0 0 319.401 3.633 50 0 DHAARN CCCCNc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O ZINC000003766221 181045190 /nfs/dbraw/zinc/04/51/90/181045190.db2.gz OGBCKWKJLPPYBK-LLVKDONJSA-N 0 0 301.415 3.663 50 0 DHAARN COc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000003607728 181040019 /nfs/dbraw/zinc/04/00/19/181040019.db2.gz YWHYFFZOUHDWIW-NSHDSACASA-N 0 0 305.761 3.755 50 0 DHAARN CSc1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 ZINC000003608053 181040286 /nfs/dbraw/zinc/04/02/86/181040286.db2.gz UYNKQUOFNAUPEE-UHFFFAOYSA-N 0 0 313.422 3.915 50 0 DHAARN Cc1cc2oc(=O)cc(Cn3ccsc3=N)c2cc1C(C)C ZINC000003868411 181051073 /nfs/dbraw/zinc/05/10/73/181051073.db2.gz XYJYGCNDJKQQEM-UHFFFAOYSA-N 0 0 314.410 3.616 50 0 DHAARN CCOc1ccc(C2N=NC(=S)N2c2ccccc2F)cc1 ZINC000003887382 181052738 /nfs/dbraw/zinc/05/27/38/181052738.db2.gz LOAGSXQDALKPNJ-UHFFFAOYSA-N 0 0 315.373 3.761 50 0 DHAARN Cc1cccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c1 ZINC000003892418 181052860 /nfs/dbraw/zinc/05/28/60/181052860.db2.gz MVLPAXKBZMIDLV-UHFFFAOYSA-N 0 0 301.415 3.522 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000003901754 181055141 /nfs/dbraw/zinc/05/51/41/181055141.db2.gz SBCMJKRWCSBOEA-KRWDZBQOSA-N 0 0 323.436 3.935 50 0 DHAARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 ZINC000003908621 181056429 /nfs/dbraw/zinc/05/64/29/181056429.db2.gz RDNIFHSDAHCPKV-UHFFFAOYSA-N 0 0 304.655 3.908 50 0 DHAARN COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1 ZINC000003907810 181056533 /nfs/dbraw/zinc/05/65/33/181056533.db2.gz APMGZADCNQICAG-UHFFFAOYSA-N 0 0 322.364 3.622 50 0 DHAARN CC(C)=CC/C=C1/CC[C@@H]2C(=O)N(c3ccccc3)NC(=O)[C@@H]2C1 ZINC000004028883 181064192 /nfs/dbraw/zinc/06/41/92/181064192.db2.gz LAQLAJSRFNHUCR-GSBQIYOASA-N 0 0 324.424 3.763 50 0 biogenic DHAARN O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccc(F)cc1 ZINC000004041743 181066171 /nfs/dbraw/zinc/06/61/71/181066171.db2.gz JZKNTPNSXNSIBW-DHZHZOJOSA-N 0 0 306.340 3.601 50 0 DHAARN CCCc1cc2c(cc1OC(C)=O)occ(-c1ccccn1)c2=O ZINC000003998994 181060749 /nfs/dbraw/zinc/06/07/49/181060749.db2.gz MHZPOYOBXRFTNM-UHFFFAOYSA-N 0 0 323.348 3.733 50 0 biogenic DHAARN CN(C)c1ccc(C(=O)[C@H](O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004007936 181061946 /nfs/dbraw/zinc/06/19/46/181061946.db2.gz SFMNUAWELJDMDE-GOSISDBHSA-N 0 0 311.425 3.966 50 0 DHAARN COC(=O)c1ccccc1NC(=O)N(c1ccccc1)C(C)C ZINC000004105544 181074152 /nfs/dbraw/zinc/07/41/52/181074152.db2.gz GIBCFNIQNCSFGO-UHFFFAOYSA-N 0 0 312.369 3.920 50 0 DHAARN O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccccc1 ZINC000004107342 181074222 /nfs/dbraw/zinc/07/42/22/181074222.db2.gz SQSRYUZEGSGIEL-UHFFFAOYSA-N 0 0 319.364 3.868 50 0 DHAARN CCCCNC(=O)NCc1c(Cl)cccc1-n1cccc1 ZINC000004054742 181067518 /nfs/dbraw/zinc/06/75/18/181067518.db2.gz BIOYVYICGVYLMM-UHFFFAOYSA-N 0 0 305.809 3.730 50 0 DHAARN C[C@@H](Cc1ccccc1)n1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000004065553 181068470 /nfs/dbraw/zinc/06/84/70/181068470.db2.gz LJVNNKIKRDBZBZ-LBPRGKRZSA-N 0 0 321.355 3.821 50 0 DHAARN CCSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000004072037 181069837 /nfs/dbraw/zinc/06/98/37/181069837.db2.gz USYXYCCVOKTIEZ-UHFFFAOYSA-N 0 0 323.487 3.805 50 0 DHAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)C2CC2)CSC3)c1 ZINC000004176189 181081964 /nfs/dbraw/zinc/08/19/64/181081964.db2.gz QJKYQYNAMPQMFL-UHFFFAOYSA-N 0 0 313.426 3.584 50 0 DHAARN O=C(Nc1nnc(Cc2ccccc2F)s1)c1cccs1 ZINC000004178889 181082356 /nfs/dbraw/zinc/08/23/56/181082356.db2.gz VXXHTJPXOKIWTL-UHFFFAOYSA-N 0 0 319.386 3.582 50 0 DHAARN O=C(c1ccc(F)cc1)N1CCN=C1SCc1ccccc1 ZINC000004119808 181076059 /nfs/dbraw/zinc/07/60/59/181076059.db2.gz FCPOGDRJHDLQRY-UHFFFAOYSA-N 0 0 314.385 3.571 50 0 DHAARN O=S(=O)(/C=C/c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004134875 181077125 /nfs/dbraw/zinc/07/71/25/181077125.db2.gz XOPNXCMEDPFZAW-VOTSOKGWSA-N 0 0 317.454 3.546 50 0 DHAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)o1 ZINC000004155438 181079141 /nfs/dbraw/zinc/07/91/41/181079141.db2.gz BBRFGXSLGJVBCQ-UHFFFAOYSA-N 0 0 324.218 3.741 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000004163647 181080074 /nfs/dbraw/zinc/08/00/74/181080074.db2.gz JKCZIQCPCWWZNH-UHFFFAOYSA-N 0 0 312.756 3.951 50 0 DHAARN CCc1nnc(NC(=O)c2csc3c2CC[C@@H](C)C3)s1 ZINC000004186510 181083446 /nfs/dbraw/zinc/08/34/46/181083446.db2.gz XOBODSXIUJMSFJ-MRVPVSSYSA-N 0 0 307.444 3.539 50 0 DHAARN COc1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1 ZINC000004252309 181088730 /nfs/dbraw/zinc/08/87/30/181088730.db2.gz ZMMJEKFXMAEUMK-UHFFFAOYSA-N 0 0 310.382 3.512 50 0 DHAARN CCCC(=O)Nc1c2c(nn1-c1cc(C)cc(C)c1)CSC2 ZINC000004274454 181091004 /nfs/dbraw/zinc/09/10/04/181091004.db2.gz XYRYRBHKOLMIRS-UHFFFAOYSA-N 0 0 315.442 3.975 50 0 DHAARN Cn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1 ZINC000004287914 181092657 /nfs/dbraw/zinc/09/26/57/181092657.db2.gz VFHSGUXBMXXUGO-CYBMUJFWSA-N 0 0 321.833 3.739 50 0 DHAARN CCC1(CC)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000004308284 181096150 /nfs/dbraw/zinc/09/61/50/181096150.db2.gz VKHPMROBMZNKEI-UHFFFAOYSA-N 0 0 315.200 3.604 50 0 DHAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@@H]1CCCO1 ZINC000004386754 181106309 /nfs/dbraw/zinc/10/63/09/181106309.db2.gz TZXFDPXLLWPIDB-KRWDZBQOSA-N 0 0 321.380 3.656 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000004524716 181119965 /nfs/dbraw/zinc/11/99/65/181119965.db2.gz STTVOHSZWIUGIP-UHFFFAOYSA-N 0 0 316.788 3.504 50 0 DHAARN CCCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C ZINC000004530447 181120215 /nfs/dbraw/zinc/12/02/15/181120215.db2.gz YJEHHSPOFHLSFW-UHFFFAOYSA-N 0 0 315.369 3.555 50 0 DHAARN O=C1CCc2ccc(cc2)CCCc2ccc(cc2)CC[C@H]1O ZINC000004530406 181120440 /nfs/dbraw/zinc/12/04/40/181120440.db2.gz ZXMPHZXZCNJXNH-HXUWFJFHSA-N 0 0 308.421 3.671 50 0 DHAARN Cc1ccc(/C=C/c2nn3c(nnc3-c3ccncc3)s2)cc1 ZINC000004540227 181121608 /nfs/dbraw/zinc/12/16/08/181121608.db2.gz LDBTVSDTEYOFNV-VOTSOKGWSA-N 0 0 319.393 3.727 50 0 DHAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(C)c(C)c3)c2c1 ZINC000004487684 181113397 /nfs/dbraw/zinc/11/33/97/181113397.db2.gz JRMNTYFOGMRVBQ-UHFFFAOYSA-N 0 0 322.408 3.766 50 0 biogenic DHAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC1CCCCC1 ZINC000004485039 181113459 /nfs/dbraw/zinc/11/34/59/181113459.db2.gz GYZOLNHGWFSATI-UHFFFAOYSA-N 0 0 323.849 3.757 50 0 DHAARN CCOC(=O)c1ccsc1NC(=O)CSc1ccccc1 ZINC000004496673 181115152 /nfs/dbraw/zinc/11/51/52/181115152.db2.gz XZLVUQNOGFYIJR-UHFFFAOYSA-N 0 0 321.423 3.656 50 0 DHAARN CCCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000004501736 181115832 /nfs/dbraw/zinc/11/58/32/181115832.db2.gz YOZDSCWINRTWBD-UHFFFAOYSA-N 0 0 323.348 3.834 50 0 DHAARN COc1cccc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc21 ZINC000004502609 181116485 /nfs/dbraw/zinc/11/64/85/181116485.db2.gz KILBJVJIQNKPQL-UHFFFAOYSA-N 0 0 320.348 3.962 50 0 DHAARN Clc1ccc(Cc2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000004511800 181117448 /nfs/dbraw/zinc/11/74/48/181117448.db2.gz LTNSOHNRVUKANU-UHFFFAOYSA-N 0 0 316.773 3.690 50 0 DHAARN COc1ccccc1/C=C/c1nn2c(nnc2-c2ccco2)s1 ZINC000004511816 181117470 /nfs/dbraw/zinc/11/74/70/181117470.db2.gz BYFUCQTUEFSBBJ-CMDGGOBGSA-N 0 0 324.365 3.625 50 0 DHAARN COc1ccc(/C=C/c2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000004511817 181117715 /nfs/dbraw/zinc/11/77/15/181117715.db2.gz KPHUPWKCDFVVES-RMKNXTFCSA-N 0 0 324.365 3.625 50 0 DHAARN COc1cc2nc(-c3cc4ccccc4o3)oc(=O)c2cc1OC ZINC000004512109 181118100 /nfs/dbraw/zinc/11/81/00/181118100.db2.gz BZBRNLUEPZTFEI-UHFFFAOYSA-N 0 0 323.304 3.618 50 0 DHAARN Cc1cccc(-c2noc(CNC(=O)CCC3CCCC3)n2)c1 ZINC000004513126 181118230 /nfs/dbraw/zinc/11/82/30/181118230.db2.gz UMOKXGTZDMSDRU-UHFFFAOYSA-N 0 0 313.401 3.632 50 0 DHAARN O=C(CSCc1ccccc1)NCCSc1ccccc1 ZINC000004520377 181119416 /nfs/dbraw/zinc/11/94/16/181119416.db2.gz UCSAUZCJGBBKCA-UHFFFAOYSA-N 0 0 317.479 3.828 50 0 DHAARN COc1cccc(C2=N/C(=C\C(C)=C\c3ccccc3)C(=O)O2)c1 ZINC000004588369 181127340 /nfs/dbraw/zinc/12/73/40/181127340.db2.gz SPDBVCWBXCHRIL-UJUKKVGJSA-N 0 0 319.360 3.986 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\O ZINC000004603870 181129522 /nfs/dbraw/zinc/12/95/22/181129522.db2.gz FQYKBNNKXYUQSC-MNDPQUGUSA-N 0 0 314.728 3.628 50 0 DHAARN CN(C)c1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1 ZINC000004597393 181128491 /nfs/dbraw/zinc/12/84/91/181128491.db2.gz SRWQSYKRARIJIA-UHFFFAOYSA-N 0 0 321.428 3.817 50 0 DHAARN Cc1cc(NC(=O)Cc2ccccc2)ccc1Br ZINC000004603234 181129247 /nfs/dbraw/zinc/12/92/47/181129247.db2.gz HEMCMDSUTUDGDY-UHFFFAOYSA-N 0 0 304.187 3.939 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)O[C@H]1c1ccccc1 ZINC000004603958 181129385 /nfs/dbraw/zinc/12/93/85/181129385.db2.gz GFNYGSJTVOPVCO-HOCLYGCPSA-N 0 0 315.756 3.583 50 0 DHAARN C[C@@H](NC(=O)c1ccco1)c1cc2c(cc1Cl)OCCCO2 ZINC000004656392 181133068 /nfs/dbraw/zinc/13/30/68/181133068.db2.gz OXWHPHPAKOLMHM-SNVBAGLBSA-N 0 0 321.760 3.585 50 0 DHAARN CCOC(=O)c1ccc(Nc2cc(=O)oc3ccccc23)cc1 ZINC000004663221 181133530 /nfs/dbraw/zinc/13/35/30/181133530.db2.gz WVDYCJPCYHGGQH-UHFFFAOYSA-N 0 0 309.321 3.713 50 0 DHAARN C(=C/c1ccccc1)\c1nn2c(Cc3ccccc3)nnc2s1 ZINC000004667776 181134203 /nfs/dbraw/zinc/13/42/03/181134203.db2.gz MWIUSECJJATERU-VAWYXSNFSA-N 0 0 318.405 3.947 50 0 DHAARN C[C@]1(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1(Cl)Cl ZINC000004652628 181132323 /nfs/dbraw/zinc/13/23/23/181132323.db2.gz ZFSVAIQWVQYONB-IQFQURSWSA-N 0 0 302.245 3.655 50 0 DHAARN CCCCCNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000004696136 181138440 /nfs/dbraw/zinc/13/84/40/181138440.db2.gz XPJULIWKUBVMNQ-UHFFFAOYSA-N 0 0 323.433 3.803 50 0 DHAARN Cc1c(C(C)C)c2ccccc2n1CC(=O)NCc1ccco1 ZINC000004702611 181139793 /nfs/dbraw/zinc/13/97/93/181139793.db2.gz QPOQDCFPXWJIAJ-UHFFFAOYSA-N 0 0 310.397 3.983 50 0 DHAARN CCOc1ccc(OCCOCCOc2ccc(C)cc2)cc1 ZINC000004702143 181139962 /nfs/dbraw/zinc/13/99/62/181139962.db2.gz CDVZWTKNKOZZQR-UHFFFAOYSA-N 0 0 316.397 3.868 50 0 DHAARN Cc1ncc(C[S@@](=O)[C@@H](C)c2ncc(C(C)(C)C)o2)s1 ZINC000085225320 192483227 /nfs/dbraw/zinc/48/32/27/192483227.db2.gz RGILLMGDOWZJGD-LXGOIASLSA-N 0 0 312.460 3.747 50 0 DHAARN O=P(Nc1ccccn1)(Nc1ccccn1)c1ccccc1 ZINC000004709378 181140192 /nfs/dbraw/zinc/14/01/92/181140192.db2.gz HXFAARVGODZTHD-UHFFFAOYSA-N 0 0 310.297 3.519 50 0 DHAARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)o2)C1=O ZINC000004739659 181145113 /nfs/dbraw/zinc/14/51/13/181145113.db2.gz GZTONNSWUXKBOU-BVRAVYJCSA-N 0 0 320.414 3.715 50 0 DHAARN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000004740527 181145129 /nfs/dbraw/zinc/14/51/29/181145129.db2.gz WMAKDOYZPUAGOH-GFCCVEGCSA-N 0 0 309.818 3.521 50 0 DHAARN Clc1ccccc1CSc1n[nH]c(-c2ccncc2)n1 ZINC000004739724 181145312 /nfs/dbraw/zinc/14/53/12/181145312.db2.gz QYNKDCXYTWISFX-UHFFFAOYSA-N 0 0 302.790 3.812 50 0 DHAARN COc1cccc(OCC(=O)c2ccc(Br)cc2)c1 ZINC000004776279 181151164 /nfs/dbraw/zinc/15/11/64/181151164.db2.gz GUQQRONYLHFUBT-UHFFFAOYSA-N 0 0 321.170 3.719 50 0 DHAARN Cc1ccc(C)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000004783779 181151680 /nfs/dbraw/zinc/15/16/80/181151680.db2.gz VSRWUQXDRUJGHN-UHFFFAOYSA-N 0 0 313.441 3.767 50 0 DHAARN COC(=O)c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000004798578 181153150 /nfs/dbraw/zinc/15/31/50/181153150.db2.gz NZVTYKIFERBKCI-UHFFFAOYSA-N 0 0 318.372 3.757 50 0 DHAARN COC(=O)c1cccc(NC(=O)c2ccccc2SC)c1C ZINC000004810824 181154655 /nfs/dbraw/zinc/15/46/55/181154655.db2.gz UXDCNIDBPLHIRN-UHFFFAOYSA-N 0 0 315.394 3.756 50 0 DHAARN COCCOc1ccc(Cl)cc1NC(=O)c1ccccc1 ZINC000004821039 181156732 /nfs/dbraw/zinc/15/67/32/181156732.db2.gz USMVGSZAQMGAEC-UHFFFAOYSA-N 0 0 305.761 3.618 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)C(=S)NCc1ccccc1 ZINC000004825626 181158054 /nfs/dbraw/zinc/15/80/54/181158054.db2.gz WMVCNQZHARXJJZ-UHFFFAOYSA-N 0 0 318.829 3.704 50 0 DHAARN Cc1ccc2oc(-c3ccc(NC(=O)[C@H]4CCCO4)cc3)nc2c1 ZINC000004828473 181158310 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/nfs/dbraw/zinc/12/29/30/183122930.db2.gz PSFKJJWWHBMGQE-CYBMUJFWSA-N 0 0 317.389 3.681 50 0 DHAARN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl ZINC000041091866 183164559 /nfs/dbraw/zinc/16/45/59/183164559.db2.gz CJHRRQYVKVTQSC-HZMBPMFUSA-N 0 0 301.839 3.505 50 0 DHAARN Cc1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2c1 ZINC000041096853 183165653 /nfs/dbraw/zinc/16/56/53/183165653.db2.gz LBAVLKYERYVIJS-UHFFFAOYSA-N 0 0 303.427 3.569 50 0 DHAARN CCCCNC(=O)N1CCCC[C@H]1c1nc([C@H](C)CC)no1 ZINC000041122868 183168174 /nfs/dbraw/zinc/16/81/74/183168174.db2.gz HHFMHNLSBBFEFO-OLZOCXBDSA-N 0 0 308.426 3.620 50 0 DHAARN CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000041122610 183168500 /nfs/dbraw/zinc/16/85/00/183168500.db2.gz FANSAYKBMSBJSJ-NWDGAFQWSA-N 0 0 319.430 3.664 50 0 DHAARN Cc1ccc([C@@H](O)CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000041468026 183193221 /nfs/dbraw/zinc/19/32/21/183193221.db2.gz OMUKBWCJYPQKBT-FQEVSTJZSA-N 0 0 319.404 3.541 50 0 DHAARN Cc1ccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cn1 ZINC000041896432 183224239 /nfs/dbraw/zinc/22/42/39/183224239.db2.gz DGRHFXGOAAUQCN-PXAZEXFGSA-N 0 0 310.397 3.911 50 0 DHAARN Cc1noc(CSc2nc(C)c(C)n2C2CCCCC2)n1 ZINC000042357247 183257843 /nfs/dbraw/zinc/25/78/43/183257843.db2.gz NPEYNNHUKFXNLA-UHFFFAOYSA-N 0 0 306.435 3.989 50 0 DHAARN CC(C)CO[C@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000042404532 183264123 /nfs/dbraw/zinc/26/41/23/183264123.db2.gz NGQCWBBZVZDMET-CYBMUJFWSA-N 0 0 320.433 3.671 50 0 DHAARN O=C(NCc1cc(Br)cs1)NC1CCCCC1 ZINC000042862905 183315421 /nfs/dbraw/zinc/31/54/21/183315421.db2.gz QAYXVPTXAHUVFH-UHFFFAOYSA-N 0 0 317.252 3.643 50 0 DHAARN CC(C)[C@@H](Sc1ncc2ccccn21)C(=O)NC1CCCC1 ZINC000042992115 183326031 /nfs/dbraw/zinc/32/60/31/183326031.db2.gz IYDOGEPTOQDCKO-OAHLLOKOSA-N 0 0 317.458 3.510 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cccc3cnccc32)no1 ZINC000043161214 183342273 /nfs/dbraw/zinc/34/22/73/183342273.db2.gz UYAMNEDZZDVYJR-QGZVFWFLSA-N 0 0 322.368 3.900 50 0 DHAARN C[C@@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccncc1 ZINC000043185826 183343728 /nfs/dbraw/zinc/34/37/28/183343728.db2.gz DBWBNDZYVLWOFM-TZMCWYRMSA-N 0 0 301.415 3.751 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc3cccnc32)no1 ZINC000043529008 183370410 /nfs/dbraw/zinc/37/04/10/183370410.db2.gz ANHZQALRFKTXHY-INIZCTEOSA-N 0 0 322.368 3.900 50 0 DHAARN CN(Cc1cscn1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000043567442 183372608 /nfs/dbraw/zinc/37/26/08/183372608.db2.gz TVBZJOYZZMZWQA-UHFFFAOYSA-N 0 0 318.295 3.573 50 0 DHAARN c1coc(CN(Cc2nc(C3CC3)no2)Cc2ccccc2)c1 ZINC000043999721 183392287 /nfs/dbraw/zinc/39/22/87/183392287.db2.gz RJRWHFUQZUJYGV-UHFFFAOYSA-N 0 0 309.369 3.742 50 0 DHAARN CCCCC[C@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 ZINC000044087420 183394371 /nfs/dbraw/zinc/39/43/71/183394371.db2.gz GKSDKESIPVYQOK-LBPRGKRZSA-N 0 0 302.378 3.827 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000044106473 183394764 /nfs/dbraw/zinc/39/47/64/183394764.db2.gz ICZCCWMCMNRIRH-SWLSCSKDSA-N 0 0 303.406 3.735 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103349 183395001 /nfs/dbraw/zinc/39/50/01/183395001.db2.gz UEDRZWHMLQNGIU-MLGOLLRUSA-N 0 0 315.417 3.735 50 0 DHAARN Cc1noc(C)c1CC(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000044868157 183444178 /nfs/dbraw/zinc/44/41/78/183444178.db2.gz TVOGUGOBDVFKGJ-UHFFFAOYSA-N 0 0 300.402 3.616 50 0 DHAARN CCCCCCNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000045125302 183483059 /nfs/dbraw/zinc/48/30/59/183483059.db2.gz QYJSKOFSMDQNFH-CYBMUJFWSA-N 0 0 305.422 3.586 50 0 DHAARN O=C(NCc1ccc(O)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000045529824 183514282 /nfs/dbraw/zinc/51/42/82/183514282.db2.gz RYDBRAFDWYJTNP-OAHLLOKOSA-N 0 0 302.399 3.500 50 0 DHAARN Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)no1 ZINC000045954824 183540251 /nfs/dbraw/zinc/54/02/51/183540251.db2.gz TUIKSODFGWMTAF-CQSZACIVSA-N 0 0 300.362 3.527 50 0 DHAARN CCC(C)(C)NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000048324288 183644095 /nfs/dbraw/zinc/64/40/95/183644095.db2.gz WMOKPCNRHBNKFX-UHFFFAOYSA-N 0 0 305.809 3.503 50 0 DHAARN COc1cc(C(=O)Nc2ccncc2)ccc1OC1CCCC1 ZINC000048343392 183648257 /nfs/dbraw/zinc/64/82/57/183648257.db2.gz WXYAYNKVPFOWTH-UHFFFAOYSA-N 0 0 312.369 3.664 50 0 DHAARN CC(C)OCc1cccc(CNC(=O)c2cccc(F)c2)c1 ZINC000048364127 183651441 /nfs/dbraw/zinc/65/14/41/183651441.db2.gz HVJZDCPJDSRNLQ-UHFFFAOYSA-N 0 0 301.361 3.681 50 0 DHAARN COCCCc1nc(=O)c2c(C)c(-c3ccccc3)sc2[nH]1 ZINC000050186605 183776906 /nfs/dbraw/zinc/77/69/06/183776906.db2.gz NAAMESYCQJRLSH-UHFFFAOYSA-N 0 0 314.410 3.539 50 0 DHAARN CCCC(C)(C)NC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000050497909 183788021 /nfs/dbraw/zinc/78/80/21/183788021.db2.gz MYMSJIBDJCAVKP-UHFFFAOYSA-N 0 0 300.402 3.887 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)[nH]n1 ZINC000051315665 183822693 /nfs/dbraw/zinc/82/26/93/183822693.db2.gz VNEOVEBDXMVDCP-UHFFFAOYSA-N 0 0 313.382 3.708 50 0 DHAARN O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccn1 ZINC000053565818 183906854 /nfs/dbraw/zinc/90/68/54/183906854.db2.gz XTUIJMITCJYBCX-UHFFFAOYSA-N 0 0 318.376 3.826 50 0 DHAARN CC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2ccsc2)c1 ZINC000055107673 183965158 /nfs/dbraw/zinc/96/51/58/183965158.db2.gz VUHSBFSKURCQSM-UHFFFAOYSA-N 0 0 322.817 3.632 50 0 DHAARN Cc1nsc(NC(=O)N2CCC[C@@H](c3ccccc3C)C2)n1 ZINC000055183352 183969772 /nfs/dbraw/zinc/96/97/72/183969772.db2.gz BFLVMHKGMVPEPX-CYBMUJFWSA-N 0 0 316.430 3.566 50 0 DHAARN O=C(NC[C@H]1CCCOC1)c1ccc(-c2ccccc2Cl)o1 ZINC000055921833 184000655 /nfs/dbraw/zinc/00/06/55/184000655.db2.gz AUKLKTQYVFJTDA-GFCCVEGCSA-N 0 0 319.788 3.756 50 0 DHAARN C[C@@H](NC(=O)CCc1ccccc1O)c1ccc(F)c(Cl)c1 ZINC000055744098 183995649 /nfs/dbraw/zinc/99/56/49/183995649.db2.gz HMTBIYZOKROOMV-LLVKDONJSA-N 0 0 321.779 3.995 50 0 DHAARN CC[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1cccs1 ZINC000055966894 184002015 /nfs/dbraw/zinc/00/20/15/184002015.db2.gz LOPMUUCYWDDBCZ-CYBMUJFWSA-N 0 0 317.410 3.791 50 0 DHAARN Cc1nccn1Cc1cccc(CNC(=O)C=C2CCCCC2)c1 ZINC000055992467 184002593 /nfs/dbraw/zinc/00/25/93/184002593.db2.gz OIBVKCNGEKBATK-UHFFFAOYSA-N 0 0 323.440 3.747 50 0 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Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C(C)C ZINC000068682436 184496850 /nfs/dbraw/zinc/49/68/50/184496850.db2.gz CXVZGMZHVNGGCE-JTQLQIEISA-N 0 0 323.799 3.748 50 0 DHAARN C[C@H](Nc1ccc2ccccc2n1)c1ccc2c(c1)NC(=O)CO2 ZINC000069153682 184502083 /nfs/dbraw/zinc/50/20/83/184502083.db2.gz JEOQLVCQSPRPGB-LBPRGKRZSA-N 0 0 319.364 3.739 50 0 DHAARN CCN(CCC(F)(F)F)C(=O)CCC(=O)c1cccs1 ZINC000069452910 184515779 /nfs/dbraw/zinc/51/57/79/184515779.db2.gz QFVIYKKARHRGBO-UHFFFAOYSA-N 0 0 307.337 3.512 50 0 DHAARN Cc1noc([C@H](C)Sc2nnc(-c3sccc3C)o2)n1 ZINC000069562223 184526034 /nfs/dbraw/zinc/52/60/34/184526034.db2.gz JLOFKADBEQHSBB-ZETCQYMHSA-N 0 0 308.388 3.651 50 0 DHAARN O=C(Nc1cccnc1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000069566963 184526561 /nfs/dbraw/zinc/52/65/61/184526561.db2.gz OADPVAURZVOODQ-UHFFFAOYSA-N 0 0 317.339 3.771 50 0 DHAARN Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2C(C)C)[nH]n1 ZINC000158537798 197282178 /nfs/dbraw/zinc/28/21/78/197282178.db2.gz DPYUSOFPPSVXMX-LBPRGKRZSA-N 0 0 300.406 3.594 50 0 DHAARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2C(C)C)[nH]n1 ZINC000158537659 197282053 /nfs/dbraw/zinc/28/20/53/197282053.db2.gz DPYUSOFPPSVXMX-GFCCVEGCSA-N 0 0 300.406 3.594 50 0 DHAARN Cc1ccccc1Cc1nnc(CNc2ccc3c(c2)COC3)o1 ZINC000155526560 197063977 /nfs/dbraw/zinc/06/39/77/197063977.db2.gz QKTCZOSXFUHUBI-UHFFFAOYSA-N 0 0 321.380 3.611 50 0 DHAARN C[C@H]1CCc2sc(C(=O)Nc3ccc4c(c3)OCO4)cc2C1 ZINC000003364370 256516408 /nfs/dbraw/zinc/51/64/08/256516408.db2.gz NIBQMPNUFXIWMN-JTQLQIEISA-N 0 0 315.394 3.854 50 0 DHAARN Cc1cccc(Cl)c1NC(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000132678474 256586629 /nfs/dbraw/zinc/58/66/29/256586629.db2.gz IPGSLLOXJZNCSO-SNVBAGLBSA-N 0 0 312.797 3.500 50 0 DHAARN O=C(Cc1ccccc1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000171176933 256590252 /nfs/dbraw/zinc/59/02/52/256590252.db2.gz PFYCDCLRKGNLIL-UHFFFAOYSA-N 0 0 318.380 3.530 50 0 DHAARN CSc1cccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000274243524 256625168 /nfs/dbraw/zinc/62/51/68/256625168.db2.gz XPHRWJXIYPZTDU-UKRRQHHQSA-N 0 0 320.458 3.796 50 0 DHAARN Brc1ccc([C@H]2CCCN2c2cnccn2)s1 ZINC000374605823 257235082 /nfs/dbraw/zinc/23/50/82/257235082.db2.gz QNYAJYTZJAGYDA-SECBINFHSA-N 0 0 310.220 3.642 50 0 DHAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C ZINC000010957826 257211238 /nfs/dbraw/zinc/21/12/38/257211238.db2.gz DIXYWWXOTQVJQH-UHFFFAOYSA-N 0 0 309.369 3.774 50 0 DHAARN C[C@H](C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C)C1CCOCC1 ZINC000245624765 257237662 /nfs/dbraw/zinc/23/76/62/257237662.db2.gz CMWDEXZTDJJEQM-OLMMMNRUSA-N 0 0 315.457 3.842 50 0 DHAARN CC[C@H](NC(=O)c1cnoc1-c1ccccc1)c1ncccc1C ZINC000426510137 257248475 /nfs/dbraw/zinc/24/84/75/257248475.db2.gz NICVLZLSZDATLR-INIZCTEOSA-N 0 0 321.380 3.926 50 0 DHAARN CCSCCNC(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000426490569 257248878 /nfs/dbraw/zinc/24/88/78/257248878.db2.gz RSQBSXOZCOQPSR-UHFFFAOYSA-N 0 0 320.380 3.600 50 0 DHAARN Cc1ccc(CCCNC(=O)N(C)CC[C@@H]2CCCCO2)cc1 ZINC000426486157 257249051 /nfs/dbraw/zinc/24/90/51/257249051.db2.gz ZTEHUBGWQBKPSX-SFHVURJKSA-N 0 0 318.461 3.528 50 0 DHAARN CCN(C(=O)c1cccc(-c2cnc(N)cn2)c1)C1CCCCC1 ZINC000426478103 257249172 /nfs/dbraw/zinc/24/91/72/257249172.db2.gz NUJXEXUWNRHCMR-UHFFFAOYSA-N 0 0 324.428 3.521 50 0 DHAARN O=C(NCc1cc(F)c(F)cc1F)c1ccc2scnc2c1 ZINC000426444650 257250230 /nfs/dbraw/zinc/25/02/30/257250230.db2.gz QZUJLNWJIADNMU-UHFFFAOYSA-N 0 0 322.311 3.644 50 0 DHAARN O=C(NCCCSCc1ccco1)[C@@H]1CC12CCCCC2 ZINC000426428846 257250242 /nfs/dbraw/zinc/25/02/42/257250242.db2.gz GBICKXGQZJUMTH-HNNXBMFYSA-N 0 0 307.459 3.990 50 0 DHAARN Cc1ccc(C(=O)N[C@@H](c2cccc(C)n2)C2CC2)n1C(F)F ZINC000426361949 257252974 /nfs/dbraw/zinc/25/29/74/257252974.db2.gz NPFCYXRZZSJTFZ-OAHLLOKOSA-N 0 0 319.355 3.776 50 0 DHAARN Cc1cc(-c2cccc3cccnc32)nc(N2CCCCC2)n1 ZINC000426379676 257253121 /nfs/dbraw/zinc/25/31/21/257253121.db2.gz KCBMAMGGVIMFST-UHFFFAOYSA-N 0 0 304.397 3.991 50 0 DHAARN C=CC(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC000408525955 257254370 /nfs/dbraw/zinc/25/43/70/257254370.db2.gz XHGOCZXDFMCKLF-ZBFHGGJFSA-N 0 0 317.429 3.797 50 0 DHAARN C=CC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC000408525953 257254799 /nfs/dbraw/zinc/25/47/99/257254799.db2.gz XHGOCZXDFMCKLF-GOEBONIOSA-N 0 0 317.429 3.797 50 0 DHAARN CCOC[C@H]1CCN(C(=O)c2[nH]c3c(cccc3Cl)c2C)C1 ZINC000408521126 257254911 /nfs/dbraw/zinc/25/49/11/257254911.db2.gz JHBFNONTCFYJHA-LBPRGKRZSA-N 0 0 320.820 3.628 50 0 DHAARN CC(C)(C(=O)N1CCC(C(=O)c2ccccc2)CC1)C1CCC1 ZINC000408519376 257255581 /nfs/dbraw/zinc/25/55/81/257255581.db2.gz LTAPVHODUNCTKZ-UHFFFAOYSA-N 0 0 313.441 3.934 50 0 DHAARN CC(=O)N(Cc1ccccc1Br)c1cncc(C)c1 ZINC000408515723 257255975 /nfs/dbraw/zinc/25/59/75/257255975.db2.gz UGZNVETXCCGCSJ-UHFFFAOYSA-N 0 0 319.202 3.706 50 0 DHAARN Cc1cnc(C(=O)N(c2ccsc2)C2CCCCC2)cn1 ZINC000278588006 257257591 /nfs/dbraw/zinc/25/75/91/257257591.db2.gz ZGJISPCSAWZNMI-UHFFFAOYSA-N 0 0 301.415 3.826 50 0 DHAARN O=C(Cc1cccnc1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000264658411 257257592 /nfs/dbraw/zinc/25/75/92/257257592.db2.gz KMWGTJUDMABZRI-UHFFFAOYSA-N 0 0 321.207 3.736 50 0 DHAARN C[C@H](Sc1ncc2ccccn21)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000252180351 257259035 /nfs/dbraw/zinc/25/90/35/257259035.db2.gz PWTGQOZKJIVDEZ-VNHYZAJKSA-N 0 0 317.458 3.510 50 0 DHAARN CC/[S@](=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000000136328 257266394 /nfs/dbraw/zinc/26/63/94/257266394.db2.gz KMANZPQCTGXUSH-LJQANCHMSA-N 0 0 307.440 3.565 50 0 DHAARN Cc1noc(CSc2nc3ccccc3n2CC(C)C)n1 ZINC000012730261 257268233 /nfs/dbraw/zinc/26/82/33/257268233.db2.gz YGDMRXHBYSRRLW-UHFFFAOYSA-N 0 0 302.403 3.676 50 0 DHAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2cnn3C(C)C)c1 ZINC000071282594 257270289 /nfs/dbraw/zinc/27/02/89/257270289.db2.gz YFEPTJQHIPQUMY-LBPRGKRZSA-N 0 0 315.373 3.605 50 0 DHAARN O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H]1c1ccsc1 ZINC000071851675 184869086 /nfs/dbraw/zinc/86/90/86/184869086.db2.gz GRLJSDNKBZTBKZ-MRXNPFEDSA-N 0 0 313.422 3.589 50 0 DHAARN CC(C)c1noc(-c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000069596681 184821095 /nfs/dbraw/zinc/82/10/95/184821095.db2.gz FDYGOTLWZFYVAW-UHFFFAOYSA-N 0 0 308.341 3.507 50 0 DHAARN O=C(CSCc1ccc(Cl)c(Cl)c1)NCC1CC1 ZINC000071795988 184843534 /nfs/dbraw/zinc/84/35/34/184843534.db2.gz KWFVAACREABEGX-UHFFFAOYSA-N 0 0 304.242 3.753 50 0 DHAARN C[C@H](C(=O)Nc1ccccc1SC1CCCC1)n1cncn1 ZINC000071903395 184896949 /nfs/dbraw/zinc/89/69/49/184896949.db2.gz HDVHHFQYUJAASX-GFCCVEGCSA-N 0 0 316.430 3.513 50 0 DHAARN Cc1ccc2cccc(NC(=O)NCc3ncccc3C)c2n1 ZINC000071907968 184899707 /nfs/dbraw/zinc/89/97/07/184899707.db2.gz JLVRNJGSKHTSTE-UHFFFAOYSA-N 0 0 306.369 3.568 50 0 DHAARN Cc1cccnc1[C@H](NC(=O)N[C@@H](C)c1nccs1)C(C)C ZINC000071909200 184900375 /nfs/dbraw/zinc/90/03/75/184900375.db2.gz LEOLYXGGTQYLNM-QWHCGFSZSA-N 0 0 318.446 3.604 50 0 DHAARN CC(C)[C@H](Sc1cccs1)C(=O)NCc1cccnc1 ZINC000071909991 184901113 /nfs/dbraw/zinc/90/11/13/184901113.db2.gz NCBJQNGPEVITEP-AWEZNQCLSA-N 0 0 306.456 3.576 50 0 DHAARN COc1cc(F)ccc1N(C)Cc1nnc(-c2cccs2)o1 ZINC000071915942 184904998 /nfs/dbraw/zinc/90/49/98/184904998.db2.gz HGDUBTZKYLZVSW-UHFFFAOYSA-N 0 0 319.361 3.582 50 0 DHAARN CS[C@@H](C)CC(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000121924038 195375465 /nfs/dbraw/zinc/37/54/65/195375465.db2.gz MVRZXBFEXLICCU-AWEZNQCLSA-N 0 0 307.459 3.506 50 0 DHAARN CC(C)c1cc(NC(=O)N2Cc3ccccc3OC[C@@H]2C)no1 ZINC000272767013 130062849 /nfs/dbraw/zinc/06/28/49/130062849.db2.gz BJQPALKYLVQVPQ-LBPRGKRZSA-N 0 0 315.373 3.613 50 0 DHAARN Cc1cc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)ccc1-c1ccccc1 ZINC000274024503 130199644 /nfs/dbraw/zinc/19/96/44/130199644.db2.gz NDFPZZSWKIAVGK-MAUKXSAKSA-N 0 0 322.408 3.721 50 0 DHAARN O=C(CCc1cnccn1)N1CCC[C@H]1CCC1CCCCC1 ZINC000279717405 130759107 /nfs/dbraw/zinc/75/91/07/130759107.db2.gz BJDSEHFXJDDGKH-SFHVURJKSA-N 0 0 315.461 3.761 50 0 DHAARN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ccoc1C1CC1 ZINC000284821004 131113117 /nfs/dbraw/zinc/11/31/17/131113117.db2.gz BXLHFSKUJHZVRT-BXWFABGCSA-N 0 0 317.429 3.703 50 0 DHAARN COc1cccc2cc([C@H](C)NCc3cnccc3OC)oc21 ZINC000287840567 131303139 /nfs/dbraw/zinc/30/31/39/131303139.db2.gz QPPDCOZCXOMYHH-LBPRGKRZSA-N 0 0 312.369 3.696 50 0 DHAARN C[C@@]12C[C@@H](NC(=O)N1c1cc(F)ccc1F)c1ccccc1O2 ZINC000000422980 134436851 /nfs/dbraw/zinc/43/68/51/134436851.db2.gz OFCJRBVQXGKLMM-CXAGYDPISA-N 0 0 316.307 3.734 50 0 DHAARN CCC(=O)N1CCCc2cc(NC(=O)c3ccccc3)ccc21 ZINC000008768667 134490035 /nfs/dbraw/zinc/49/00/35/134490035.db2.gz QKKXRJYYQUPZNS-UHFFFAOYSA-N 0 0 308.381 3.628 50 0 DHAARN CCCCN1C(=O)COc2ccc(NC(=O)C(CC)CC)cc21 ZINC000012119094 134501478 /nfs/dbraw/zinc/50/14/78/134501478.db2.gz DVODZEYRILHQFR-UHFFFAOYSA-N 0 0 318.417 3.587 50 0 DHAARN Cc1cc(N2CCC(C)CC2)n2nc(-c3ccccc3C)nc2n1 ZINC000014610461 134521000 /nfs/dbraw/zinc/52/10/00/134521000.db2.gz QYDQXWNRMGAMQI-UHFFFAOYSA-N 0 0 321.428 3.644 50 0 DHAARN Cc1ccccc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000016580709 134528772 /nfs/dbraw/zinc/52/87/72/134528772.db2.gz OYXWCCMVZKTWLL-UHFFFAOYSA-N 0 0 300.446 3.614 50 0 DHAARN Brc1ccnc(N2CCCCC2)c1Br ZINC000019801035 134638898 /nfs/dbraw/zinc/63/88/98/134638898.db2.gz JENPVMXXGZIGIK-UHFFFAOYSA-N 0 0 320.028 3.597 50 0 DHAARN CC[C@@H](NC(=O)Nc1cn(CC)nc1C)c1nc(C)c(C)s1 ZINC000096151504 563534541 /nfs/dbraw/zinc/53/45/41/563534541.db2.gz KEFWFPJTZLALIN-GFCCVEGCSA-N 0 0 321.450 3.558 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)[C@@H](C)c3ccccc3)c2)n[nH]1 ZINC000132326308 196246591 /nfs/dbraw/zinc/24/65/91/196246591.db2.gz NOQLEOPUFYCGNJ-LBPRGKRZSA-N 0 0 306.369 3.522 50 0 DHAARN C[C@H](CNc1ccc(N2CCNC2=O)cc1)c1ccc(F)cc1 ZINC000134034210 196355844 /nfs/dbraw/zinc/35/58/44/196355844.db2.gz KNRVTQZESZZNKC-CYBMUJFWSA-N 0 0 313.376 3.571 50 0 DHAARN O=C(Cc1c(F)cccc1F)Nc1cccc(-c2cc[nH]n2)c1 ZINC000087086102 262524994 /nfs/dbraw/zinc/52/49/94/262524994.db2.gz OWEDJOYDQJHAJP-UHFFFAOYSA-N 0 0 313.307 3.536 50 0 DHAARN COc1ccc(-c2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000000466567 262529946 /nfs/dbraw/zinc/52/99/46/262529946.db2.gz UZBBKNRXMUUDAL-UHFFFAOYSA-N 0 0 307.349 3.885 50 0 DHAARN Cc1ccc(C)c(NC(=O)CCCNC(=O)c2cccs2)c1 ZINC000012912691 262537858 /nfs/dbraw/zinc/53/78/58/262537858.db2.gz VMZQQIQROMHJAI-UHFFFAOYSA-N 0 0 316.426 3.514 50 0 DHAARN CCn1ccnc1C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000091270275 262545198 /nfs/dbraw/zinc/54/51/98/262545198.db2.gz QHEROKHZRPEHLL-UHFFFAOYSA-N 0 0 324.350 3.701 50 0 DHAARN CCc1nnc(NC(=O)c2ccc3c4c(cccc42)CC3)s1 ZINC000000470650 331463045 /nfs/dbraw/zinc/46/30/45/331463045.db2.gz OUFDIYLSNXDSEH-UHFFFAOYSA-N 0 0 309.394 3.605 50 0 DHAARN COc1ccc(C=CC(=O)OCC(=O)c2cc(C)ccc2C)cc1 ZINC000003391298 331480285 /nfs/dbraw/zinc/48/02/85/331480285.db2.gz LTQFBENFMHLWHU-DHZHZOJOSA-N 0 0 324.376 3.751 50 0 DHAARN CC(C)Cc1noc(CN(Cc2ccc(F)cc2F)C2CC2)n1 ZINC000052076061 331759876 /nfs/dbraw/zinc/75/98/76/331759876.db2.gz NZKCILJMVOANSP-UHFFFAOYSA-N 0 0 321.371 3.711 50 0 DHAARN CCOc1ncccc1CN[C@@H](C)c1ccc2ccccc2n1 ZINC000095420103 332170037 /nfs/dbraw/zinc/17/00/37/332170037.db2.gz MQEHOVMBSCTPSZ-AWEZNQCLSA-N 0 0 307.397 3.879 50 0 DHAARN CCc1c(C)nc2ccccc2c1NC(=O)Cc1c(C)noc1C ZINC000097166061 332193675 /nfs/dbraw/zinc/19/36/75/332193675.db2.gz DJBAKTDMGJNWSZ-UHFFFAOYSA-N 0 0 323.396 3.892 50 0 DHAARN Cc1ccccc1[C@H](NCc1nnc(C2CC2)n1C)C(C)(C)C ZINC000180083491 333027366 /nfs/dbraw/zinc/02/73/66/333027366.db2.gz UVBSZCRPFUBGPW-KRWDZBQOSA-N 0 0 312.461 3.878 50 0 DHAARN Cc1ncc(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)c(C)n1 ZINC000189224855 333066592 /nfs/dbraw/zinc/06/65/92/333066592.db2.gz FWRQCACJWXNDLL-GOSISDBHSA-N 0 0 309.413 3.634 50 0 DHAARN CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1cccnc1)CC2 ZINC000189370026 333079788 /nfs/dbraw/zinc/07/97/88/333079788.db2.gz FDXOSBVBRPUNFV-GOSISDBHSA-N 0 0 309.413 3.692 50 0 DHAARN Cc1cc(NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)nn1C ZINC000121685365 333387870 /nfs/dbraw/zinc/38/78/70/333387870.db2.gz OCIPBIPEISQHBT-INIZCTEOSA-N 0 0 312.417 3.796 50 0 DHAARN Cc1ccc(C(=O)N[C@H](c2cccnc2)C(C)C)n1C(F)F ZINC000534643450 334305816 /nfs/dbraw/zinc/30/58/16/334305816.db2.gz QTGOWUJIUHVNIV-AWEZNQCLSA-N 0 0 307.344 3.714 50 0 DHAARN Cc1cccnc1[C@H](C)NC(=O)CCCc1ccc(F)cc1 ZINC000534646761 334306922 /nfs/dbraw/zinc/30/69/22/334306922.db2.gz TWYPUWJKIUDUHO-AWEZNQCLSA-N 0 0 300.377 3.729 50 0 DHAARN CC(C)[C@@H]1C=CCN1C(=O)c1ccc(-c2ccncc2F)cc1 ZINC000534641519 334311307 /nfs/dbraw/zinc/31/13/07/334311307.db2.gz RTPTUWBSTRWCRG-SFHVURJKSA-N 0 0 310.372 3.924 50 0 DHAARN CCOc1ccc([C@@H](C)NC(=O)CCC(F)(F)F)cc1F ZINC000534658733 334314956 /nfs/dbraw/zinc/31/49/56/334314956.db2.gz MHPPUIKYUUNKIZ-SECBINFHSA-N 0 0 307.287 3.744 50 0 DHAARN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000331694062 336144738 /nfs/dbraw/zinc/14/47/38/336144738.db2.gz YABBJKFVTLHCHX-CABCVRRESA-N 0 0 318.465 3.514 50 0 DHAARN O=C(Nc1nncs1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000171645895 337087061 /nfs/dbraw/zinc/08/70/61/337087061.db2.gz QXUVQIPBULZJCH-GFCCVEGCSA-N 0 0 322.821 3.854 50 0 DHAARN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ccoc1 ZINC000175448573 337147357 /nfs/dbraw/zinc/14/73/57/337147357.db2.gz GCIGDXRCGJXEIY-BZNIZROVSA-N 0 0 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Cc1ccsc1CNC(=O)c1c(C)onc1-c1ccccc1 ZINC000000148054 563224555 /nfs/dbraw/zinc/22/45/55/563224555.db2.gz DQVOURGSEIYTCB-UHFFFAOYSA-N 0 0 312.394 3.950 50 0 DHAARN O=C(CNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000146810 563224604 /nfs/dbraw/zinc/22/46/04/563224604.db2.gz KRWXNCATVIUAPB-UHFFFAOYSA-N 0 0 308.164 3.606 50 0 DHAARN O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(=O)CC1 ZINC000000156912 563225788 /nfs/dbraw/zinc/22/57/88/563225788.db2.gz AMWDMRLGMSQZTK-UHFFFAOYSA-N 0 0 321.376 3.600 50 0 DHAARN CCOC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000000165908 563226324 /nfs/dbraw/zinc/22/63/24/563226324.db2.gz MZVGKOLXAQXCPL-UHFFFAOYSA-N 0 0 315.316 3.935 50 0 in-vitro DHAARN Oc1cc2cc(O)c(Br)cc2cc1Br ZINC000000163907 563226420 /nfs/dbraw/zinc/22/64/20/563226420.db2.gz UAECXNARJOIHAO-UHFFFAOYSA-N 0 0 317.964 3.776 50 0 DHAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC000000162719 563226472 /nfs/dbraw/zinc/22/64/72/563226472.db2.gz FFXRDUPWVUFPJU-UHFFFAOYSA-N 0 0 306.317 3.585 50 0 DHAARN Cc1cc(OCC(=O)Nc2ccc(Cl)cn2)ccc1Cl ZINC000000170972 563226815 /nfs/dbraw/zinc/22/68/15/563226815.db2.gz CMGBWQGJIWSEMM-UHFFFAOYSA-N 0 0 311.168 3.714 50 0 DHAARN CCC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000000170982 563227010 /nfs/dbraw/zinc/22/70/10/563227010.db2.gz GJEYRHNTZDSQEG-UHFFFAOYSA-N 0 0 314.776 3.731 50 0 DHAARN O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1Cl ZINC000000171767 563227249 /nfs/dbraw/zinc/22/72/49/563227249.db2.gz DJEQWVYOVPWYAH-BQYQJAHWSA-N 0 0 322.842 3.928 50 0 DHAARN Cc1cccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000000171704 563227357 /nfs/dbraw/zinc/22/73/57/563227357.db2.gz SISNFDKBYSIHGF-UHFFFAOYSA-N 0 0 317.414 3.711 50 0 DHAARN COc1cc(NC(C)=O)c(Cl)cc1NC(=O)c1ccccc1 ZINC000000190519 563229057 /nfs/dbraw/zinc/22/90/57/563229057.db2.gz GHLONPNZEIEIAM-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN Cc1cccc(Nc2nc(N3CCCCC3)ncc2F)c1C ZINC000000187059 563229094 /nfs/dbraw/zinc/22/90/94/563229094.db2.gz KUIFGZDOYYNCQN-UHFFFAOYSA-N 0 0 300.381 3.966 50 0 DHAARN CC(C)COC(=O)c1cccc(NC(=O)Cc2ccccc2)c1 ZINC000000191417 563229798 /nfs/dbraw/zinc/22/97/98/563229798.db2.gz OYUODHBNNQRJET-UHFFFAOYSA-N 0 0 311.381 3.681 50 0 DHAARN COc1ccc(Nc2ncccc2C(=O)NCCC(C)C)cc1 ZINC000000210854 563231099 /nfs/dbraw/zinc/23/10/99/563231099.db2.gz VNVOLPRRHCBQLL-UHFFFAOYSA-N 0 0 313.401 3.610 50 0 DHAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)cc1 ZINC000000213224 563231151 /nfs/dbraw/zinc/23/11/51/563231151.db2.gz DRPFREYMSNHRPT-UHFFFAOYSA-N 0 0 323.318 3.771 50 0 DHAARN O=C(NC(Cc1ccccc1)Cc1ccccc1)c1ccco1 ZINC000000217335 563231374 /nfs/dbraw/zinc/23/13/74/563231374.db2.gz ZNXNQJYVABPDMY-UHFFFAOYSA-N 0 0 305.377 3.863 50 0 DHAARN Fc1cccc([C@H]2C[C@H](c3cccs3)Nc3ncnn32)c1 ZINC000000221864 563231409 /nfs/dbraw/zinc/23/14/09/563231409.db2.gz NUITZTVPBMXDFQ-CHWSQXEVSA-N 0 0 300.362 3.625 50 0 DHAARN Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000000242847 563232872 /nfs/dbraw/zinc/23/28/72/563232872.db2.gz LTFLIVFKVNIORO-KRWDZBQOSA-N 0 0 324.424 3.710 50 0 DHAARN Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1C ZINC000000245597 563233528 /nfs/dbraw/zinc/23/35/28/563233528.db2.gz CCNSNJUWVRKWIK-UHFFFAOYSA-N 0 0 306.365 3.709 50 0 DHAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)cc1 ZINC000000258978 563234186 /nfs/dbraw/zinc/23/41/86/563234186.db2.gz IGRVXTUFZFTEFT-UHFFFAOYSA-N 0 0 314.435 3.907 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000000266867 563234768 /nfs/dbraw/zinc/23/47/68/563234768.db2.gz ZESPLXWZZZYHST-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000000283687 563235893 /nfs/dbraw/zinc/23/58/93/563235893.db2.gz AQQBHIURHRJXQW-UHFFFAOYSA-N 0 0 310.136 3.974 50 0 DHAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)o1 ZINC000000303692 563237806 /nfs/dbraw/zinc/23/78/06/563237806.db2.gz GFEKIYDIDOQAOJ-UHFFFAOYSA-N 0 0 324.218 3.597 50 0 DHAARN CC[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000000302626 563238063 /nfs/dbraw/zinc/23/80/63/563238063.db2.gz GSONOHQUYCWEFY-CQSZACIVSA-N 0 0 319.202 3.725 50 0 DHAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000310590 563239502 /nfs/dbraw/zinc/23/95/02/563239502.db2.gz WLYAZICOBONPRR-UHFFFAOYSA-N 0 0 305.399 3.509 50 0 DHAARN Cc1ccc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1 ZINC000000321560 563240701 /nfs/dbraw/zinc/24/07/01/563240701.db2.gz XAFXEDJGOSPYGP-UHFFFAOYSA-N 0 0 303.427 3.569 50 0 DHAARN O=S(=O)(NC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000000317429 563240837 /nfs/dbraw/zinc/24/08/37/563240837.db2.gz QFUYGTZPSGPAFV-UHFFFAOYSA-N 0 0 321.401 3.735 50 0 DHAARN O=C(NC(=S)Nc1ccccc1O)c1cccc2ccccc21 ZINC000000342069 563242048 /nfs/dbraw/zinc/24/20/48/563242048.db2.gz RDBAIRHXKQZHEA-UHFFFAOYSA-N 0 0 322.389 3.672 50 0 DHAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)C(C)(C)C)cc1 ZINC000000345685 563242599 /nfs/dbraw/zinc/24/25/99/563242599.db2.gz MZEZKYCHQDASBL-UHFFFAOYSA-N 0 0 303.427 3.989 50 0 DHAARN Clc1ccccc1[C@@H]1C[C@H](c2ccco2)n2ncnc2N1 ZINC000000350199 563243119 /nfs/dbraw/zinc/24/31/19/563243119.db2.gz MLMQEBHBKVYIKT-QWHCGFSZSA-N 0 0 300.749 3.671 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccco1 ZINC000000351454 563243149 /nfs/dbraw/zinc/24/31/49/563243149.db2.gz RANDRDYHGUNYGQ-UHFFFAOYSA-N 0 0 312.369 3.548 50 0 DHAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccncc2)cc1 ZINC000000351414 563243166 /nfs/dbraw/zinc/24/31/66/563243166.db2.gz RCCSCUJQGDWHSU-UHFFFAOYSA-N 0 0 313.360 3.756 50 0 DHAARN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(C)=O ZINC000000351112 563243179 /nfs/dbraw/zinc/24/31/79/563243179.db2.gz AGONOQWOOLRZDO-SFHVURJKSA-N 0 0 308.381 3.701 50 0 DHAARN Clc1ccc([C@H]2C[C@@H](c3ccco3)n3ncnc3N2)cc1 ZINC000000350192 563243194 /nfs/dbraw/zinc/24/31/94/563243194.db2.gz AWEXLJNOLIENAV-OLZOCXBDSA-N 0 0 300.749 3.671 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)CCc2ccc(CC)o2)cc1 ZINC000000352126 563243215 /nfs/dbraw/zinc/24/32/15/563243215.db2.gz VPZQDGFPCVCBCU-UHFFFAOYSA-N 0 0 315.369 3.590 50 0 DHAARN COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000353651 563243714 /nfs/dbraw/zinc/24/37/14/563243714.db2.gz BKLDGHUZASRCPX-UHFFFAOYSA-N 0 0 319.426 3.794 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000000362247 563244916 /nfs/dbraw/zinc/24/49/16/563244916.db2.gz XGXNHAIEWTZSCR-UHFFFAOYSA-N 0 0 317.772 3.698 50 0 DHAARN CC(C)(C)c1cc(OC(=O)C2CC2)ccc1OC(=O)C1CC1 ZINC000000363932 563245227 /nfs/dbraw/zinc/24/52/27/563245227.db2.gz WVCQKSDJMPBSAH-UHFFFAOYSA-N 0 0 302.370 3.615 50 0 DHAARN FC(F)Oc1ccccc1NC(=S)NCCc1ccccc1 ZINC000000374509 563247123 /nfs/dbraw/zinc/24/71/23/563247123.db2.gz ASRYLQXOZGVHOZ-UHFFFAOYSA-N 0 0 322.380 3.817 50 0 DHAARN O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000000381711 563247465 /nfs/dbraw/zinc/24/74/65/563247465.db2.gz PXGOUCYSIHUETD-UHFFFAOYSA-N 0 0 324.163 3.789 50 0 DHAARN Cc1c(C(=O)Oc2cccc(F)c2C)cnn1-c1ccccc1 ZINC000000385360 563248910 /nfs/dbraw/zinc/24/89/10/563248910.db2.gz RHHMAOCYRJHSES-UHFFFAOYSA-N 0 0 310.328 3.847 50 0 DHAARN CC[C@H](C)N(C(C)=O)c1ccc(N(C(C)=O)[C@@H](C)CC)cc1 ZINC000000390436 563249315 /nfs/dbraw/zinc/24/93/15/563249315.db2.gz RKKIUOJPJCINRW-KBPBESRZSA-N 0 0 304.434 3.989 50 0 DHAARN Brc1cccc(Br)c1Br ZINC000000391568 563249862 /nfs/dbraw/zinc/24/98/62/563249862.db2.gz GMVJKSNPLYBFSO-UHFFFAOYSA-N 0 0 314.802 3.974 50 0 DHAARN COc1cc(OC)c(NC(=O)OCc2ccncc2)cc1Cl ZINC000000397739 563250447 /nfs/dbraw/zinc/25/04/47/563250447.db2.gz OEFQSSLCSAKSGR-UHFFFAOYSA-N 0 0 322.748 3.501 50 0 DHAARN COC(=O)Nc1ccc(SCC(=O)c2ccccc2)cc1 ZINC000000406847 563251403 /nfs/dbraw/zinc/25/14/03/563251403.db2.gz ZXOCDFHDUXLNFD-UHFFFAOYSA-N 0 0 301.367 3.840 50 0 DHAARN COc1ccc(C2=Nc3nc(C)nn3[C@H](c3ccccc3)C2)cc1 ZINC000000407758 563252177 /nfs/dbraw/zinc/25/21/77/563252177.db2.gz ZFTFOWYACIKQOW-SFHVURJKSA-N 0 0 318.380 3.651 50 0 DHAARN O=S(=O)(Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000439117 563254073 /nfs/dbraw/zinc/25/40/73/563254073.db2.gz HBKOJBASMHLAIW-UHFFFAOYSA-N 0 0 316.209 3.935 50 0 DHAARN COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccccc3)[C@@H]1CC2 ZINC000000439540 563254078 /nfs/dbraw/zinc/25/40/78/563254078.db2.gz BACDCFIUEPUECQ-YLJYHZDGSA-N 0 0 320.392 3.565 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)[C@H](CC)c1ccccc1 ZINC000000442573 563254334 /nfs/dbraw/zinc/25/43/34/563254334.db2.gz GLXOPPIXYVUGTB-OAHLLOKOSA-N 0 0 311.381 3.996 50 0 DHAARN COc1cc(SC)ccc1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000000441635 563254675 /nfs/dbraw/zinc/25/46/75/563254675.db2.gz VJDSWEKADQSZHX-UHFFFAOYSA-N 0 0 315.394 3.872 50 0 DHAARN COc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000000444161 563254865 /nfs/dbraw/zinc/25/48/65/563254865.db2.gz BDXUWUPMUXJHDV-CYBMUJFWSA-N 0 0 301.411 3.956 50 0 DHAARN CC(C)c1nc2ccccc2n1C[C@@H](O)COC1CCCCC1 ZINC000000446327 563255492 /nfs/dbraw/zinc/25/54/92/563255492.db2.gz XLHVWHBOXGIPJP-OAHLLOKOSA-N 0 0 316.445 3.870 50 0 DHAARN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(Cl)cc1Cl ZINC000000452201 563256882 /nfs/dbraw/zinc/25/68/82/563256882.db2.gz LCLKVONZSJXNNL-JTQLQIEISA-N 0 0 322.257 3.865 50 0 DHAARN COc1ccc(NC(=O)c2ccc(C)cc2Cl)c(OC)c1 ZINC000000457966 563257769 /nfs/dbraw/zinc/25/77/69/563257769.db2.gz PBHQMAUXGGIHHV-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(C)=O)c1 ZINC000000455996 563258020 /nfs/dbraw/zinc/25/80/20/563258020.db2.gz ZTLKTADETPLACY-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN Cc1ccc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000000465572 563259435 /nfs/dbraw/zinc/25/94/35/563259435.db2.gz MBYBNQOSAZGEHX-UHFFFAOYSA-N 0 0 322.452 3.503 50 0 DHAARN COc1ccc2nc(NC(=O)Cc3ccc(C)cc3)sc2c1 ZINC000000465370 563259679 /nfs/dbraw/zinc/25/96/79/563259679.db2.gz DUPFUUDZOOZTQX-UHFFFAOYSA-N 0 0 312.394 3.795 50 0 DHAARN CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1F ZINC000000469316 563260178 /nfs/dbraw/zinc/26/01/78/563260178.db2.gz KUXNZOPKINMWMT-UHFFFAOYSA-N 0 0 300.333 3.817 50 0 DHAARN CCOc1ccc(NC(=O)Nc2ccc3c(c2)nc(C)n3C)cc1 ZINC000000469695 563260209 /nfs/dbraw/zinc/26/02/09/563260209.db2.gz ZKGYXNLGBRNKLF-UHFFFAOYSA-N 0 0 324.384 3.924 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000000470212 563260576 /nfs/dbraw/zinc/26/05/76/563260576.db2.gz FTCZINRRYMJSJO-GFCCVEGCSA-N 0 0 314.410 3.764 50 0 DHAARN COc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1Cl ZINC000000470503 563260644 /nfs/dbraw/zinc/26/06/44/563260644.db2.gz JWRQMIBYTADTDV-UHFFFAOYSA-N 0 0 319.832 3.903 50 0 DHAARN C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000000475094 563261723 /nfs/dbraw/zinc/26/17/23/563261723.db2.gz OPSTWQIUBWCWLG-OLZOCXBDSA-N 0 0 303.789 3.985 50 0 DHAARN Fc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1 ZINC000000483207 563262746 /nfs/dbraw/zinc/26/27/46/563262746.db2.gz ICZIFOPCQSRVCY-UHFFFAOYSA-N 0 0 309.094 3.898 50 0 DHAARN Cn1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000000483515 563262961 /nfs/dbraw/zinc/26/29/61/563262961.db2.gz XZHBPLBKRIFDSV-UHFFFAOYSA-N 0 0 304.564 3.633 50 0 DHAARN Cc1cc(Br)ccc1NC(=O)COc1ccccc1 ZINC000000514206 563264141 /nfs/dbraw/zinc/26/41/41/563264141.db2.gz ILWXZSPNQZFFGQ-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN Nc1nc(Nc2ccc(Cl)cc2Cl)nc(C(F)(F)F)n1 ZINC000000528405 563264744 /nfs/dbraw/zinc/26/47/44/563264744.db2.gz AJABPPIXDGMZJO-UHFFFAOYSA-N 0 0 324.093 3.523 50 0 DHAARN COc1cccc(-c2nnc3sc(-c4ccccc4)nn32)c1 ZINC000000532346 563265592 /nfs/dbraw/zinc/26/55/92/563265592.db2.gz KMMJDTDSFGFQSC-UHFFFAOYSA-N 0 0 308.366 3.528 50 0 DHAARN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000000556109 563265966 /nfs/dbraw/zinc/26/59/66/563265966.db2.gz PKGUOIYIKPBZJN-UHFFFAOYSA-N 0 0 304.777 3.876 50 0 DHAARN CCCC(=O)NCc1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000000572731 563267661 /nfs/dbraw/zinc/26/76/61/563267661.db2.gz ZVYQZDVWAROAGJ-UHFFFAOYSA-N 0 0 321.424 3.809 50 0 DHAARN Cc1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000573519 563267819 /nfs/dbraw/zinc/26/78/19/563267819.db2.gz NDYUAGYPHGCPNJ-UHFFFAOYSA-N 0 0 314.429 3.632 50 0 DHAARN Cc1cccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000000582700 563268269 /nfs/dbraw/zinc/26/82/69/563268269.db2.gz NGWJNKNPHSHBJZ-UHFFFAOYSA-N 0 0 309.818 3.615 50 0 DHAARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000000612377 563269440 /nfs/dbraw/zinc/26/94/40/563269440.db2.gz HSZOKXDRZSNFSH-AWEZNQCLSA-N 0 0 302.374 3.975 50 0 DHAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(F)c1 ZINC000000616812 563269968 /nfs/dbraw/zinc/26/99/68/563269968.db2.gz YXUODPFCYZERHF-UHFFFAOYSA-N 0 0 313.357 3.520 50 0 DHAARN O=C(Nc1nnc(-c2ccc(F)cc2Cl)s1)c1ccco1 ZINC000000618342 563270415 /nfs/dbraw/zinc/27/04/15/563270415.db2.gz CQTHGHHOKYNGQR-UHFFFAOYSA-N 0 0 323.736 3.843 50 0 DHAARN COc1ccc(NC(=O)c2ccccc2NC(=O)C(C)C)cc1 ZINC000000619182 563270563 /nfs/dbraw/zinc/27/05/63/563270563.db2.gz ZNJNNLVBBCPYNA-UHFFFAOYSA-N 0 0 312.369 3.542 50 0 DHAARN CCc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c1 ZINC000000621414 563271106 /nfs/dbraw/zinc/27/11/06/563271106.db2.gz DUZOPRVSMWFSHA-SFHVURJKSA-N 0 0 324.424 3.642 50 0 DHAARN CC[C@@H](Sc1ncccn1)C(=O)Nc1c(C)cccc1C ZINC000000619976 563271114 /nfs/dbraw/zinc/27/11/14/563271114.db2.gz LIYUAFKYDNJJGR-CYBMUJFWSA-N 0 0 301.415 3.603 50 0 DHAARN CC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1 ZINC000000813400 563271927 /nfs/dbraw/zinc/27/19/27/563271927.db2.gz AOPRXHZBVBYBNH-UHFFFAOYSA-N 0 0 313.382 3.974 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000000860145 563272385 /nfs/dbraw/zinc/27/23/85/563272385.db2.gz GGUDANQDVPBCOK-CQSZACIVSA-N 0 0 310.397 3.802 50 0 DHAARN CCOc1ccc(-c2csc(N)c2C(=O)OC(C)C)cc1 ZINC000000999484 563274022 /nfs/dbraw/zinc/27/40/22/563274022.db2.gz IGORWRQZCBMTKC-UHFFFAOYSA-N 0 0 305.399 3.961 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)Cc1noc2ccccc21 ZINC000001018162 563274298 /nfs/dbraw/zinc/27/42/98/563274298.db2.gz CISSOLZYHHYXRI-UHFFFAOYSA-N 0 0 300.745 3.971 50 0 DHAARN CCNC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccc(C)o1 ZINC000001016867 563274538 /nfs/dbraw/zinc/27/45/38/563274538.db2.gz PDLGWEMTTNFEIV-OAHLLOKOSA-N 0 0 313.426 3.634 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000001190396 563279209 /nfs/dbraw/zinc/27/92/09/563279209.db2.gz IOXGPLIIBYMMPF-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN COc1cc(F)c(NC(=O)CCc2ccc(F)cc2)cc1OC ZINC000071884402 563281573 /nfs/dbraw/zinc/28/15/73/563281573.db2.gz HWCCQJKSSPMVHK-UHFFFAOYSA-N 0 0 321.323 3.553 50 0 DHAARN Cn1nc(-c2ccccc2)c([C@H](O)c2cccs2)c1Cl ZINC000001392063 563282118 /nfs/dbraw/zinc/28/21/18/563282118.db2.gz IXENXWCHAVNGCN-CQSZACIVSA-N 0 0 304.802 3.884 50 0 DHAARN CC(C)(C)OC(=O)N1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC000001436145 563283508 /nfs/dbraw/zinc/28/35/08/563283508.db2.gz GFOKOPAQAGLVHF-MRXNPFEDSA-N 0 0 311.809 3.823 50 0 DHAARN COc1ccc(NCc2cc3cccc4c3n(c2=O)CCC4)cc1 ZINC000001501642 563284858 /nfs/dbraw/zinc/28/48/58/563284858.db2.gz IERVTAJMHKECCA-UHFFFAOYSA-N 0 0 320.392 3.568 50 0 DHAARN CCOC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000001691665 563291631 /nfs/dbraw/zinc/29/16/31/563291631.db2.gz UPOSGCJFXWMIAZ-UHFFFAOYSA-N 0 0 314.381 3.747 50 0 DHAARN COc1ccccc1OCCOCCOc1ccccc1Cl ZINC000001720454 563293141 /nfs/dbraw/zinc/29/31/41/563293141.db2.gz OOUHRFYTPVYXCY-UHFFFAOYSA-N 0 0 322.788 3.823 50 0 DHAARN CCCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1 ZINC000001777983 563295629 /nfs/dbraw/zinc/29/56/29/563295629.db2.gz STDZWKNSHVQWLE-JLHYYAGUSA-N 0 0 309.409 3.848 50 0 DHAARN CC(=O)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1 ZINC000001773819 563295956 /nfs/dbraw/zinc/29/59/56/563295956.db2.gz WWONUYFHSRKRCU-UHFFFAOYSA-N 0 0 311.381 3.995 50 0 DHAARN CCN(CC)C(=S)SCC(=O)Nc1cc(C)ccc1C ZINC000001811373 563296300 /nfs/dbraw/zinc/29/63/00/563296300.db2.gz ANOZSCHMJWAMAM-UHFFFAOYSA-N 0 0 310.488 3.602 50 0 DHAARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=O ZINC000001826607 563296535 /nfs/dbraw/zinc/29/65/35/563296535.db2.gz DHDFJDUZCZOELC-FQEVSTJZSA-N 0 0 305.377 3.704 50 0 biogenic DHAARN CCCC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000001848683 563296570 /nfs/dbraw/zinc/29/65/70/563296570.db2.gz STMIIPIFODONDC-CQSZACIVSA-N 0 0 314.216 3.663 50 0 in-vitro DHAARN CC(C)c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 ZINC000071889850 563297601 /nfs/dbraw/zinc/29/76/01/563297601.db2.gz PROMTSHDNBCFIW-UHFFFAOYSA-N 0 0 306.793 3.943 50 0 DHAARN CC(C)c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000071889846 563297771 /nfs/dbraw/zinc/29/77/71/563297771.db2.gz XCLCPZGAYARDKI-UHFFFAOYSA-N 0 0 306.793 3.943 50 0 DHAARN CCCCC(=O)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000002052171 563299252 /nfs/dbraw/zinc/29/92/52/563299252.db2.gz QNKHGDOBGHDFLA-UHFFFAOYSA-N 0 0 305.230 3.997 50 0 DHAARN Clc1ccc(-c2nnc3sc(-c4ccccn4)nn32)cc1 ZINC000002194314 563301456 /nfs/dbraw/zinc/30/14/56/563301456.db2.gz BWFZYXALXWWANZ-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN CCCc1cc(NCCOC)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002219903 563302061 /nfs/dbraw/zinc/30/20/61/563302061.db2.gz JPMKXTTXNFUIJI-UHFFFAOYSA-N 0 0 324.428 3.716 50 0 DHAARN COC[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002312258 563302846 /nfs/dbraw/zinc/30/28/46/563302846.db2.gz GYQWAGJOYBEIHA-RHSMWYFYSA-N 0 0 315.438 3.671 50 0 DHAARN c1c2ccccc2oc1-c1nn2c(nnc2-c2ccncc2)s1 ZINC000002439577 563303618 /nfs/dbraw/zinc/30/36/18/563303618.db2.gz GYROVJHKERMGOM-UHFFFAOYSA-N 0 0 319.349 3.661 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2cccs2)on1 ZINC000002465674 563303733 /nfs/dbraw/zinc/30/37/33/563303733.db2.gz VSYSMZIJISKVEZ-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN Cc1cc(-c2sccc2Cl)nc(-n2cccc2C=O)n1 ZINC000002509221 563304991 /nfs/dbraw/zinc/30/49/91/563304991.db2.gz UULQZTTUHYJUQI-UHFFFAOYSA-N 0 0 303.774 3.770 50 0 DHAARN O=C(c1ccc(CN2CCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000002514646 563305060 /nfs/dbraw/zinc/30/50/60/563305060.db2.gz MLWVPSWZWVKFHJ-UHFFFAOYSA-N 0 0 305.299 3.541 50 0 DHAARN CCOC(=O)c1ccccc1C(=O)CCc1cccc(F)c1 ZINC000002517325 563306561 /nfs/dbraw/zinc/30/65/61/563306561.db2.gz HQQRJNARYUZQEG-UHFFFAOYSA-N 0 0 300.329 3.818 50 0 DHAARN CC(C)CC(=O)OCC1CCC(COC(=O)CC(C)C)CC1 ZINC000002528010 563307946 /nfs/dbraw/zinc/30/79/46/563307946.db2.gz HCMXPRHTVNDCEZ-UHFFFAOYSA-N 0 0 312.450 3.971 50 0 DHAARN CCSc1ncccc1C(=O)Nc1cccc2cccnc21 ZINC000002571055 563309586 /nfs/dbraw/zinc/30/95/86/563309586.db2.gz PVSVXXZZMAYBLC-UHFFFAOYSA-N 0 0 309.394 3.994 50 0 DHAARN COc1cccc(C(=O)c2ccc(Br)c(F)c2)c1 ZINC000002574638 563309594 /nfs/dbraw/zinc/30/95/94/563309594.db2.gz DJHOQJWPFZDYMU-UHFFFAOYSA-N 0 0 309.134 3.828 50 0 DHAARN CCOC(=O)CCCCC(=O)c1ccccc1Br ZINC000002567568 563309658 /nfs/dbraw/zinc/30/96/58/563309658.db2.gz CEZMIKCSMXHIIB-UHFFFAOYSA-N 0 0 313.191 3.755 50 0 DHAARN COc1cc(Br)c(C=O)cc1OCc1ccccc1 ZINC000002567215 563309704 /nfs/dbraw/zinc/30/97/04/563309704.db2.gz RUBXMEDWBCBLEZ-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN Cc1cc(C(=O)Nc2nnc(C3CC3)s2)c2ccccc2n1 ZINC000002616508 563310872 /nfs/dbraw/zinc/31/08/72/563310872.db2.gz RPXUCRYIELGZIF-UHFFFAOYSA-N 0 0 310.382 3.524 50 0 DHAARN COc1ccc(CCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000002648262 563311116 /nfs/dbraw/zinc/31/11/16/563311116.db2.gz YDJMEDBIIXOZRN-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(C)c(C)c1 ZINC000002705766 563311828 /nfs/dbraw/zinc/31/18/28/563311828.db2.gz QHRZXAGWGSUAQB-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN Cc1ccc(OCCCn2c(CCCO)nc3ccccc32)cc1 ZINC000002713347 563312078 /nfs/dbraw/zinc/31/20/78/563312078.db2.gz OODVTLJACYNWMH-UHFFFAOYSA-N 0 0 324.424 3.739 50 0 DHAARN CCOc1ccc(-c2nc(C(=O)NCCC(C)C)cs2)cc1 ZINC000034711768 563313519 /nfs/dbraw/zinc/31/35/19/563313519.db2.gz XWXKLRKCQACLJZ-UHFFFAOYSA-N 0 0 318.442 3.985 50 0 DHAARN CCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000002851497 563314850 /nfs/dbraw/zinc/31/48/50/563314850.db2.gz CBQIENYOKJOYRK-UHFFFAOYSA-N 0 0 311.385 3.771 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(OC(C)=O)cc2)cc1Cl ZINC000002868569 563315642 /nfs/dbraw/zinc/31/56/42/563315642.db2.gz BWPFFWZCPCHUSV-UHFFFAOYSA-N 0 0 319.744 3.526 50 0 DHAARN CCCOC(=S)NC(=O)c1sc2ccccc2c1Cl ZINC000002875115 563316139 /nfs/dbraw/zinc/31/61/39/563316139.db2.gz MQXGDOLOVNTENR-UHFFFAOYSA-N 0 0 313.831 3.996 50 0 DHAARN Cc1cccc(-c2nc(=S)c3c(n2CCCO)CCCC3)c1 ZINC000002875913 563316266 /nfs/dbraw/zinc/31/62/66/563316266.db2.gz WEMBDMBZGRDFSD-UHFFFAOYSA-N 0 0 314.454 3.849 50 0 DHAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2cccs2)c1 ZINC000002943423 563318253 /nfs/dbraw/zinc/31/82/53/563318253.db2.gz ZAMXAIXSXVAENV-UHFFFAOYSA-N 0 0 303.427 3.989 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000002951043 563318117 /nfs/dbraw/zinc/31/81/17/563318117.db2.gz VPDSEKQFVYTWDK-UHFFFAOYSA-N 0 0 313.353 3.513 50 0 DHAARN CCCCOc1ccc(S(=O)(=O)N(CCC)CCC)cc1 ZINC000002984924 563319201 /nfs/dbraw/zinc/31/92/01/563319201.db2.gz ODRTVRYQDUZRJO-UHFFFAOYSA-N 0 0 313.463 3.676 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000003100473 563321897 /nfs/dbraw/zinc/32/18/97/563321897.db2.gz SAYTUDPIINRNJW-GHMZBOCLSA-N 0 0 316.228 3.877 50 0 DHAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Cl ZINC000003118788 563322005 /nfs/dbraw/zinc/32/20/05/563322005.db2.gz YGMLKBFPHVLHGT-UHFFFAOYSA-N 0 0 314.566 3.827 50 0 DHAARN CCc1[nH]nc(-c2ccc(OC)cc2)c1NC(=O)C1CCCC1 ZINC000034796932 563324669 /nfs/dbraw/zinc/32/46/69/563324669.db2.gz AZPNPRTZTCEPRC-UHFFFAOYSA-N 0 0 313.401 3.776 50 0 DHAARN Cc1cc(C)c(-c2cc(C(=O)Nc3cccnc3)nn2C)c(C)c1 ZINC000034901532 563325235 /nfs/dbraw/zinc/32/52/35/563325235.db2.gz KUJHVWHRIKAOHE-UHFFFAOYSA-N 0 0 320.396 3.660 50 0 DHAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2nccnc2c1 ZINC000004744762 563327386 /nfs/dbraw/zinc/32/73/86/563327386.db2.gz ADPKAOPUNVULGG-LBPRGKRZSA-N 0 0 321.355 3.750 50 0 DHAARN O=C(/C=C/c1ccco1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000002325747 563331725 /nfs/dbraw/zinc/33/17/25/563331725.db2.gz SWRWZCODCVGVBX-GQCTYLIASA-N 0 0 314.772 3.786 50 0 DHAARN CC(C)[C@H](C)CC(=O)N(Cc1ccncc1)Cc1cccnc1 ZINC000071903926 563331765 /nfs/dbraw/zinc/33/17/65/563331765.db2.gz COMLJCGUOQOWER-MRXNPFEDSA-N 0 0 311.429 3.688 50 0 DHAARN C[C@H](CC[C@H]1CCCO1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000071909369 563332784 /nfs/dbraw/zinc/33/27/84/563332784.db2.gz BOWSPBAZGSWPON-CKEIUWERSA-N 0 0 307.409 3.783 50 0 DHAARN COC(=O)c1sccc1NC(=O)Nc1cc(C)ccc1C ZINC000006741849 563334106 /nfs/dbraw/zinc/33/41/06/563334106.db2.gz IJSLKQWYIWRWCV-UHFFFAOYSA-N 0 0 304.371 3.796 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)no2)cc1 ZINC000006872257 563334298 /nfs/dbraw/zinc/33/42/98/563334298.db2.gz YYEHYKKOEIBVLZ-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN CN1C(=S)N=NC1c1cc(-c2ccccc2)nc2ccccc21 ZINC000006861549 563334717 /nfs/dbraw/zinc/33/47/17/563334717.db2.gz PNGGQIIUDMONRB-UHFFFAOYSA-N 0 0 318.405 3.986 50 0 DHAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007052950 563335838 /nfs/dbraw/zinc/33/58/38/563335838.db2.gz FUVAOKMHUMDHCT-UHFFFAOYSA-N 0 0 315.316 3.815 50 0 DHAARN COc1ccc(S(=O)(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000007055717 563336612 /nfs/dbraw/zinc/33/66/12/563336612.db2.gz KIYGBDPFFCQMNC-UHFFFAOYSA-N 0 0 305.399 3.619 50 0 DHAARN O=C(Nc1ccccc1NCCc1ccccn1)c1ccoc1 ZINC000097370222 563336637 /nfs/dbraw/zinc/33/66/37/563336637.db2.gz XUNJLWXVJQVBGF-UHFFFAOYSA-N 0 0 307.353 3.582 50 0 DHAARN Cc1cc([C@@H](C)NCc2nnc(-c3cccs3)o2)c(C)o1 ZINC000097373922 563337807 /nfs/dbraw/zinc/33/78/07/563337807.db2.gz IZQVTEMLLQEAHU-SNVBAGLBSA-N 0 0 303.387 3.859 50 0 DHAARN COc1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000002713998 563339551 /nfs/dbraw/zinc/33/95/51/563339551.db2.gz FVLHCRQODYAOLJ-UHFFFAOYSA-N 0 0 302.330 3.696 50 0 DHAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc1 ZINC000002740849 563340091 /nfs/dbraw/zinc/34/00/91/563340091.db2.gz BGQHNUQVRLUDFF-UHFFFAOYSA-N 0 0 321.302 3.971 50 0 DHAARN Cc1nn(C)c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)c1Cl ZINC000002761616 563340696 /nfs/dbraw/zinc/34/06/96/563340696.db2.gz OOYPXWJVTUPMBX-SECBINFHSA-N 0 0 321.783 3.503 50 0 DHAARN CCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC000002736252 563340883 /nfs/dbraw/zinc/34/08/83/563340883.db2.gz LGSCQVLKDWDHKN-SNVBAGLBSA-N 0 0 309.431 3.787 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000002763485 563341220 /nfs/dbraw/zinc/34/12/20/563341220.db2.gz LCNZTMYIHJNFPI-BEFAXECRSA-N 0 0 309.409 3.956 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(Br)s1 ZINC000002764334 563341367 /nfs/dbraw/zinc/34/13/67/563341367.db2.gz PXBYSJQVLCGCGR-UHFFFAOYSA-N 0 0 312.188 3.772 50 0 DHAARN Cc1cc(C(F)F)n2nc3nc(C(F)(F)F)cc(C)c3c2n1 ZINC000002785148 563341845 /nfs/dbraw/zinc/34/18/45/563341845.db2.gz PXMLDYVLBKXLRL-UHFFFAOYSA-N 0 0 316.233 3.851 50 0 DHAARN O=C(NCCCCc1ccccc1)c1cc2ccccc2oc1=O ZINC000002757180 563341890 /nfs/dbraw/zinc/34/18/90/563341890.db2.gz ZFRRDDBQIRLTNC-UHFFFAOYSA-N 0 0 321.376 3.546 50 0 DHAARN COC(=O)c1ccc(NCc2c(Cl)cccc2OC)cc1 ZINC000097379246 563342723 /nfs/dbraw/zinc/34/27/23/563342723.db2.gz RPRUJZKLNFDATI-UHFFFAOYSA-N 0 0 305.761 3.747 50 0 DHAARN COc1cc(OC)c(-c2nc3ccccc3s2)c(OC)c1 ZINC000008106532 563344635 /nfs/dbraw/zinc/34/46/35/563344635.db2.gz LEKYVIOTOFXSSF-UHFFFAOYSA-N 0 0 301.367 3.989 50 0 DHAARN CCCCOC(=O)[C@H](C)Sc1nnc(-c2cccs2)o1 ZINC000071922121 563346716 /nfs/dbraw/zinc/34/67/16/563346716.db2.gz BGZOWZKZHDQJKA-VIFPVBQESA-N 0 0 312.416 3.622 50 0 DHAARN Cc1cc(-c2nn(-c3ccccc3)cc2C=O)cc2c1O[C@H](C)C2 ZINC000008549122 563347829 /nfs/dbraw/zinc/34/78/29/563347829.db2.gz RPDGSUSXIYHXDF-CQSZACIVSA-N 0 0 318.376 3.984 50 0 DHAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC1CCCCC1 ZINC000008714921 563349151 /nfs/dbraw/zinc/34/91/51/563349151.db2.gz LXZXFKYGQRUIRA-UHFFFAOYSA-N 0 0 322.257 3.913 50 0 DHAARN C[C@]1(C(=O)Nc2ccc(-c3cnco3)cc2)CC1(Cl)Cl ZINC000097444314 563349438 /nfs/dbraw/zinc/34/94/38/563349438.db2.gz HYKJDZTZFUVJPJ-CYBMUJFWSA-N 0 0 311.168 3.864 50 0 DHAARN CC(C)CN(C(=O)CN[C@@H](C)c1ccccc1Cl)C1CC1 ZINC000097473745 563350781 /nfs/dbraw/zinc/35/07/81/563350781.db2.gz JCFZBJRYRQJLTC-ZDUSSCGKSA-N 0 0 308.853 3.638 50 0 DHAARN C[C@H](Cc1nnc(NC(=O)c2ccco2)s1)c1ccccc1 ZINC000009095408 563352220 /nfs/dbraw/zinc/35/22/20/563352220.db2.gz GGRLFUPCDHEXMD-LLVKDONJSA-N 0 0 313.382 3.730 50 0 DHAARN Cc1ccc(OCC(N)=O)c(-c2ccc(Cl)cc2Cl)c1 ZINC000032541576 563352949 /nfs/dbraw/zinc/35/29/49/563352949.db2.gz BSUMGYCHINOGQD-UHFFFAOYSA-N 0 0 310.180 3.833 50 0 DHAARN Cc1nc2c3ccccc3nc(SCc3ccccc3)n2n1 ZINC000009476908 563353982 /nfs/dbraw/zinc/35/39/82/563353982.db2.gz OILVXYGAIFOICL-UHFFFAOYSA-N 0 0 306.394 3.878 50 0 DHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1Cl ZINC000010404497 563356902 /nfs/dbraw/zinc/35/69/02/563356902.db2.gz WECBOJAFTBJVFJ-UHFFFAOYSA-N 0 0 303.745 3.640 50 0 DHAARN 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ZINC000032832161 563401112 /nfs/dbraw/zinc/40/11/12/563401112.db2.gz VJZRNLIGQNLUFB-UHFFFAOYSA-N 0 0 314.385 3.798 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccccc1 ZINC000032830220 563401220 /nfs/dbraw/zinc/40/12/20/563401220.db2.gz BOFXGDUUIRXZCH-LBPRGKRZSA-N 0 0 310.328 3.972 50 0 DHAARN Cc1ccccc1CC(=O)Nc1cccc(Br)c1 ZINC000014562374 563401226 /nfs/dbraw/zinc/40/12/26/563401226.db2.gz PWRIRMQQIAXPIJ-UHFFFAOYSA-N 0 0 304.187 3.939 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2cccc3ncccc32)cc1 ZINC000014791884 563402726 /nfs/dbraw/zinc/40/27/26/563402726.db2.gz UFKQIRHCGPMBSO-FMIVXFBMSA-N 0 0 304.349 3.895 50 0 biogenic DHAARN CC(C)n1cnc2ccc(-c3noc(-c4ccccn4)n3)cc21 ZINC000065240622 563403615 /nfs/dbraw/zinc/40/36/15/563403615.db2.gz MRENERHIUXLXNO-UHFFFAOYSA-N 0 0 305.341 3.729 50 0 DHAARN c1ccc(-c2noc(CN[C@@H](c3ccccc3)C3CC3)n2)cc1 ZINC000032863475 563403903 /nfs/dbraw/zinc/40/39/03/563403903.db2.gz VLZLXHOWOKVENS-SFHVURJKSA-N 0 0 305.381 3.978 50 0 DHAARN O=c1[nH]ncc(N2CCC(CCc3ccccc3)CC2)c1Cl ZINC000032869750 563403953 /nfs/dbraw/zinc/40/39/53/563403953.db2.gz NLPZORGDBRRINJ-UHFFFAOYSA-N 0 0 317.820 3.685 50 0 DHAARN Cn1c(Cl)cnc1COC(=O)c1ccc2ccccc2c1 ZINC000032860233 563404014 /nfs/dbraw/zinc/40/40/14/563404014.db2.gz SJHORRSHKGSMHY-UHFFFAOYSA-N 0 0 300.745 3.584 50 0 DHAARN Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000032870861 563404801 /nfs/dbraw/zinc/40/48/01/563404801.db2.gz MYKIFDCHADMQDM-UHFFFAOYSA-N 0 0 311.381 3.835 50 0 DHAARN O=C1Nc2ccc(Br)cc2[C@@H]1Cc1cccs1 ZINC000015017896 563406184 /nfs/dbraw/zinc/40/61/84/563406184.db2.gz ACYAMURIBWZSEF-NSHDSACASA-N 0 0 308.200 3.789 50 0 DHAARN Cc1csc2nc(CNc3ccc(C)cc3Cl)cc(=O)n12 ZINC000015291116 563408893 /nfs/dbraw/zinc/40/88/93/563408893.db2.gz DJXOAVBFEDTWKO-UHFFFAOYSA-N 0 0 319.817 3.638 50 0 DHAARN CC[C@H](NC(=O)CN(C)Cc1ccc(C)o1)c1ccc(C)cc1 ZINC000015296540 563409157 /nfs/dbraw/zinc/40/91/57/563409157.db2.gz MHGPPZLDLUTXKV-SFHVURJKSA-N 0 0 314.429 3.596 50 0 DHAARN CCC(C)(C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000032904820 563410301 /nfs/dbraw/zinc/41/03/01/563410301.db2.gz CFIYMURPCVWNEW-UHFFFAOYSA-N 0 0 301.430 3.833 50 0 DHAARN O=C(NCC[C@@H]1CCCO1)c1ccc(Oc2ccccc2)cc1 ZINC000032908788 563410750 /nfs/dbraw/zinc/41/07/50/563410750.db2.gz FHTNSFRYUILFTG-INIZCTEOSA-N 0 0 311.381 3.778 50 0 DHAARN CC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F ZINC000032906637 563410756 /nfs/dbraw/zinc/41/07/56/563410756.db2.gz QJBSYZKOQVTAGD-UHFFFAOYSA-N 0 0 324.714 3.829 50 0 DHAARN Cc1ccc(NC(=O)Cc2csc(Cc3ccccn3)n2)cc1 ZINC000032915721 563412160 /nfs/dbraw/zinc/41/21/60/563412160.db2.gz NCHDNTZVOLCFEL-UHFFFAOYSA-N 0 0 323.421 3.619 50 0 DHAARN CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000032916573 563412309 /nfs/dbraw/zinc/41/23/09/563412309.db2.gz ONFROECMOQDUCK-JTQLQIEISA-N 0 0 319.829 3.677 50 0 DHAARN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)NC(C)(C)C ZINC000016827665 563412916 /nfs/dbraw/zinc/41/29/16/563412916.db2.gz HQBUPLUXPXNYPZ-MRVPVSSYSA-N 0 0 311.838 3.612 50 0 DHAARN CCc1cc(C(=O)Nc2cccnc2N2CCCC2)sc1C ZINC000032932426 563414057 /nfs/dbraw/zinc/41/40/57/563414057.db2.gz KWSGVPCXERMHFW-UHFFFAOYSA-N 0 0 315.442 3.866 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCc3ccccc32)c(C)c1 ZINC000010752294 563418274 /nfs/dbraw/zinc/41/82/74/563418274.db2.gz KRUJVMBPGWFCKH-KRWDZBQOSA-N 0 0 315.438 3.578 50 0 DHAARN Cc1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)on1 ZINC000010811144 563418348 /nfs/dbraw/zinc/41/83/48/563418348.db2.gz IPWZUNDWUAEPMO-UHFFFAOYSA-N 0 0 316.744 3.826 50 0 DHAARN CC(C)(C)c1cc(Cl)ccc1OCCOCCn1ccnc1 ZINC000012381567 563419254 /nfs/dbraw/zinc/41/92/54/563419254.db2.gz PIRWRWQULCJIBS-UHFFFAOYSA-N 0 0 322.836 3.930 50 0 DHAARN Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)c1ccccc1 ZINC000010859726 563419279 /nfs/dbraw/zinc/41/92/79/563419279.db2.gz BWACFVCDNADZGI-UHFFFAOYSA-N 0 0 323.323 3.722 50 0 DHAARN O=C(c1ccc(Cl)nc1)N1CCCSc2ccccc21 ZINC000023228296 563420153 /nfs/dbraw/zinc/42/01/53/563420153.db2.gz OBJVNMSBCRTLSH-UHFFFAOYSA-N 0 0 304.802 3.878 50 0 DHAARN COCC(=O)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000069895992 563420342 /nfs/dbraw/zinc/42/03/42/563420342.db2.gz LFTDKJNBRFRDAI-SECBINFHSA-N 0 0 324.833 3.596 50 0 DHAARN COc1cc(SC)ccc1C(=O)N[C@H]1CCc2ccccc21 ZINC000010960294 563420810 /nfs/dbraw/zinc/42/08/10/563420810.db2.gz YCSURZGNERGAQW-INIZCTEOSA-N 0 0 313.422 3.834 50 0 DHAARN Clc1ccccc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000069898320 563420999 /nfs/dbraw/zinc/42/09/99/563420999.db2.gz CEDSFHAAWCUZPZ-UHFFFAOYSA-N 0 0 303.789 3.675 50 0 DHAARN CCOc1ccc([C@@H](C)NC(=O)c2cn3ccc(C)cc3n2)cc1 ZINC000010978331 563421791 /nfs/dbraw/zinc/42/17/91/563421791.db2.gz YHQRFLGWHKAMTM-CQSZACIVSA-N 0 0 323.396 3.532 50 0 DHAARN COc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000025311996 563422269 /nfs/dbraw/zinc/42/22/69/563422269.db2.gz XYZMJGMIIUVGER-ZIAGYGMSSA-N 0 0 303.308 3.716 50 0 DHAARN C[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccccn1 ZINC000025406110 563422519 /nfs/dbraw/zinc/42/25/19/563422519.db2.gz VEXMZZBCLDJDLU-JTQLQIEISA-N 0 0 308.353 3.887 50 0 DHAARN C[C@@H](Oc1cccc(F)c1)C(=O)NCc1ccc(Cl)s1 ZINC000025527525 563423611 /nfs/dbraw/zinc/42/36/11/563423611.db2.gz JWYSVTVDBBAHNT-SECBINFHSA-N 0 0 313.781 3.624 50 0 DHAARN CCOc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1OC ZINC000025532557 563423874 /nfs/dbraw/zinc/42/38/74/563423874.db2.gz HQSWETPZFLCANF-UHFFFAOYSA-N 0 0 322.364 3.894 50 0 DHAARN Cc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)on1 ZINC000026364965 563425010 /nfs/dbraw/zinc/42/50/10/563425010.db2.gz YJAQGFPQJSFQDI-UHFFFAOYSA-N 0 0 321.308 3.637 50 0 DHAARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc[nH]c1=S ZINC000026187620 563425280 /nfs/dbraw/zinc/42/52/80/563425280.db2.gz LZUJTZAHIVWKNF-UHFFFAOYSA-N 0 0 320.443 3.522 50 0 DHAARN O=C(Nc1ccc(F)cc1)N[C@H](Cc1ncc[nH]1)c1ccccc1 ZINC000011009116 563426068 /nfs/dbraw/zinc/42/60/68/563426068.db2.gz BZRJRJNUVVFOPJ-MRXNPFEDSA-N 0 0 324.359 3.654 50 0 DHAARN C[C@@H](NC(=O)C1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027304944 563427423 /nfs/dbraw/zinc/42/74/23/563427423.db2.gz NFABSMMXTDDLCA-CYBMUJFWSA-N 0 0 314.429 3.793 50 0 DHAARN c1cnn(-c2ccc(CSc3ccc4c(c3)OCCO4)cc2)c1 ZINC000027424241 563427932 /nfs/dbraw/zinc/42/79/32/563427932.db2.gz CLYQTEKWEIXWES-UHFFFAOYSA-N 0 0 324.405 3.936 50 0 DHAARN CC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C ZINC000027525276 563428021 /nfs/dbraw/zinc/42/80/21/563428021.db2.gz ITZHACOOFVPHIO-UHFFFAOYSA-N 0 0 309.778 3.952 50 0 DHAARN CCCOc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000027756778 563429266 /nfs/dbraw/zinc/42/92/66/563429266.db2.gz YQMLZKZYFGOMTQ-UHFFFAOYSA-N 0 0 302.355 3.930 50 0 DHAARN Cc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)no1 ZINC000027664255 563429329 /nfs/dbraw/zinc/42/93/29/563429329.db2.gz MQSYJFLUNDGXGK-UHFFFAOYSA-N 0 0 308.337 3.668 50 0 DHAARN Cc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 ZINC000027740722 563429457 /nfs/dbraw/zinc/42/94/57/563429457.db2.gz GLYWQTUAGQQDTP-UHFFFAOYSA-N 0 0 301.396 3.827 50 0 DHAARN O=C(COc1ccccc1)N(Cc1cccs1)c1ccccn1 ZINC000027663230 563429508 /nfs/dbraw/zinc/42/95/08/563429508.db2.gz LRWKANXAHGWZGT-UHFFFAOYSA-N 0 0 324.405 3.755 50 0 DHAARN Cc1ccc(CN2C(=O)CC(c3ccc(C)cc3)CC2=O)cc1 ZINC000032955215 563429556 /nfs/dbraw/zinc/42/95/56/563429556.db2.gz KBXPCXMVULXCKG-UHFFFAOYSA-N 0 0 307.393 3.736 50 0 DHAARN O=C(NC1CC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000027769303 563429589 /nfs/dbraw/zinc/42/95/89/563429589.db2.gz GXYRCQSBFSGNHK-UHFFFAOYSA-N 0 0 321.302 3.736 50 0 DHAARN O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 ZINC000027993966 563430817 /nfs/dbraw/zinc/43/08/17/563430817.db2.gz IVOCSOGRBLKYNH-UHFFFAOYSA-N 0 0 300.264 3.872 50 0 DHAARN CCOc1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1 ZINC000028403672 563431509 /nfs/dbraw/zinc/43/15/09/563431509.db2.gz OBBAKSFDRODFEN-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN CCOC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[C@H]2C)c1C ZINC000072274149 563431575 /nfs/dbraw/zinc/43/15/75/563431575.db2.gz MOYUQQWPLMILIM-YPMHNXCESA-N 0 0 319.405 3.874 50 0 DHAARN Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1nc2ccccc2o1 ZINC000072276556 563432252 /nfs/dbraw/zinc/43/22/52/563432252.db2.gz OQARQUUWXYPXPO-GFCCVEGCSA-N 0 0 316.792 3.865 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000029001320 563432957 /nfs/dbraw/zinc/43/29/57/563432957.db2.gz TXHHWSKDLWBUHD-HNNXBMFYSA-N 0 0 319.408 3.828 50 0 DHAARN O=C(CSc1ncccc1Cl)N1CCCc2ccccc21 ZINC000011033354 563433325 /nfs/dbraw/zinc/43/33/25/563433325.db2.gz SDRWIPZWJTYMDN-UHFFFAOYSA-N 0 0 318.829 3.807 50 0 DHAARN CCOCc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000029281850 563433862 /nfs/dbraw/zinc/43/38/62/563433862.db2.gz ALMMTUUARLPTDN-UHFFFAOYSA-N 0 0 303.789 3.807 50 0 DHAARN CCCCC[C@@H](C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000029472418 563434778 /nfs/dbraw/zinc/43/47/78/563434778.db2.gz ZBKGRDKOSRWRJP-TZMCWYRMSA-N 0 0 309.837 3.976 50 0 DHAARN Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H](C)C2)c1C1CC1 ZINC000029737263 563435544 /nfs/dbraw/zinc/43/55/44/563435544.db2.gz TVYUSBNURLIBHV-AWEZNQCLSA-N 0 0 323.440 3.930 50 0 DHAARN O=C(NOCc1ccccc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000029728589 563435558 /nfs/dbraw/zinc/43/55/58/563435558.db2.gz GTMUFYKRDDDVAY-STQMWFEESA-N 0 0 316.323 3.539 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 ZINC000030232245 563436710 /nfs/dbraw/zinc/43/67/10/563436710.db2.gz KAHPNBPSRJXSNQ-ZDUSSCGKSA-N 0 0 302.399 3.511 50 0 DHAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(Cl)c[nH]1 ZINC000030135551 563436722 /nfs/dbraw/zinc/43/67/22/563436722.db2.gz IZKMUDHECOQDGV-UHFFFAOYSA-N 0 0 306.837 3.957 50 0 DHAARN COc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccco3)o2)cc1 ZINC000030276446 563437084 /nfs/dbraw/zinc/43/70/84/563437084.db2.gz JPRLXLPDZCBBLT-GFCCVEGCSA-N 0 0 313.357 3.531 50 0 DHAARN COc1cccc2c1N(C(=O)c1ccccc1Cl)CCC2 ZINC000030576632 563437578 /nfs/dbraw/zinc/43/75/78/563437578.db2.gz XOBUSRYEAOZQLB-UHFFFAOYSA-N 0 0 301.773 3.942 50 0 DHAARN Oc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 ZINC000030823868 563438950 /nfs/dbraw/zinc/43/89/50/563438950.db2.gz YQRNZLAWINEMKI-UHFFFAOYSA-N 0 0 317.142 3.872 50 0 DHAARN CC1=C(C(=O)OC2CCCC2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 ZINC000030831785 563439004 /nfs/dbraw/zinc/43/90/04/563439004.db2.gz LRKDSMJHEAETSV-KXBFYZLASA-N 0 0 313.397 3.632 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)c(C)o1 ZINC000031774744 563440662 /nfs/dbraw/zinc/44/06/62/563440662.db2.gz OCHKGAOUWJAUOH-GFCCVEGCSA-N 0 0 315.369 3.549 50 0 DHAARN Cc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000011083256 563442045 /nfs/dbraw/zinc/44/20/45/563442045.db2.gz VLNWFOYQJVTQRD-UHFFFAOYSA-N 0 0 319.408 3.512 50 0 DHAARN CCc1noc(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000033012815 563444347 /nfs/dbraw/zinc/44/43/47/563444347.db2.gz IZQRHVYMOAQCIY-UHFFFAOYSA-N 0 0 311.316 3.690 50 0 DHAARN Cc1cc(Br)ncc1NC(=O)C[C@@H](C)n1cccc1 ZINC000072306570 563444969 /nfs/dbraw/zinc/44/49/69/563444969.db2.gz GDTXVHVUHMJORS-LLVKDONJSA-N 0 0 322.206 3.544 50 0 DHAARN Cn1c(NC(=O)c2cc(F)c(F)cc2Cl)nc2ccccc21 ZINC000000038361 563447053 /nfs/dbraw/zinc/44/70/53/563447053.db2.gz AWDMFUSLRYAIKA-UHFFFAOYSA-N 0 0 321.714 3.757 50 0 DHAARN CCOc1cccc(C(=O)N2CCCC[C@H]2c2cccnc2)c1 ZINC000000338178 563447601 /nfs/dbraw/zinc/44/76/01/563447601.db2.gz DPXBKEXXUXUPHQ-SFHVURJKSA-N 0 0 310.397 3.848 50 0 biogenic DHAARN O=C(COc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000001206018 563448335 /nfs/dbraw/zinc/44/83/35/563448335.db2.gz UAODJFUYIYCPEP-UHFFFAOYSA-N 0 0 310.397 3.694 50 0 DHAARN Oc1ccc2c(Br)c(O)ccc2c1Br ZINC000034406312 563448356 /nfs/dbraw/zinc/44/83/56/563448356.db2.gz COJNHIANORGBGY-UHFFFAOYSA-N 0 0 317.964 3.776 50 0 DHAARN CCOC1=N[C@@H]2Nc3ccccc3N(CC)[C@H]2[C@@H]1c1ccccc1 ZINC000004008039 563449779 /nfs/dbraw/zinc/44/97/79/563449779.db2.gz BRXLCVAVCONCQE-FHWLQOOXSA-N 0 0 321.424 3.866 50 0 DHAARN Cc1ccc(NCc2ncc(Cl)n2C)c(Br)c1 ZINC000034937806 563452097 /nfs/dbraw/zinc/45/20/97/563452097.db2.gz DLQLILSMMOYSKR-UHFFFAOYSA-N 0 0 314.614 3.757 50 0 DHAARN Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000034798104 563452135 /nfs/dbraw/zinc/45/21/35/563452135.db2.gz ZOSHTBGCFMCDRD-YQQAZPJKSA-N 0 0 301.430 3.899 50 0 DHAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1O ZINC000035511289 563452480 /nfs/dbraw/zinc/45/24/80/563452480.db2.gz MJTBGNICYMKYHP-HNNXBMFYSA-N 0 0 316.401 3.849 50 0 DHAARN CCOc1cc(CN2CCC[C@@H]2c2cc(CC)no2)ccc1O ZINC000035511264 563452700 /nfs/dbraw/zinc/45/27/00/563452700.db2.gz SIWRZOMSFSQDDR-OAHLLOKOSA-N 0 0 316.401 3.678 50 0 DHAARN Cc1noc(C)c1C(=O)Nc1nc2cc(C(C)(C)C)ccc2o1 ZINC000072311646 563452728 /nfs/dbraw/zinc/45/27/28/563452728.db2.gz NPAUJGLXGKJTMJ-UHFFFAOYSA-N 0 0 313.357 3.982 50 0 DHAARN CC(C)(C)OC(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000035287408 563452843 /nfs/dbraw/zinc/45/28/43/563452843.db2.gz RBRPGHIERRRXHR-MRXNPFEDSA-N 0 0 311.809 3.559 50 0 DHAARN Nc1nc2c(s1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000036357328 563454877 /nfs/dbraw/zinc/45/48/77/563454877.db2.gz YFBZXJJTHFPEPB-ZETCQYMHSA-N 0 0 313.304 3.868 50 0 DHAARN O=C1CC(c2ccc(Cl)cc2)CC(=O)N1c1cccc(F)c1 ZINC000032985369 563458837 /nfs/dbraw/zinc/45/88/37/563458837.db2.gz SAFIASSTWCGGGP-UHFFFAOYSA-N 0 0 317.747 3.916 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)no1 ZINC000032996307 563459281 /nfs/dbraw/zinc/45/92/81/563459281.db2.gz IYJGFRKATCXVIS-UHFFFAOYSA-N 0 0 312.304 3.828 50 0 DHAARN O=C(Oc1ccc(-c2nnco2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000032996071 563459477 /nfs/dbraw/zinc/45/94/77/563459477.db2.gz AOBWZNJBPQKSSQ-UHFFFAOYSA-N 0 0 324.380 3.858 50 0 DHAARN Cc1ccc2c(c1)S[C@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)C2 ZINC000071818761 563460999 /nfs/dbraw/zinc/46/09/99/563460999.db2.gz UQYOUMNQGQJWAL-WBVHZDCISA-N 0 0 312.438 3.704 50 0 DHAARN CC[C@@H](NC(=O)c1cn2cc(C)ccc2n1)c1ccc(OC)cc1 ZINC000097939153 563461272 /nfs/dbraw/zinc/46/12/72/563461272.db2.gz UENIRAGIESPSGQ-MRXNPFEDSA-N 0 0 323.396 3.532 50 0 DHAARN CC1=C(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)CCCO1 ZINC000119290341 563461343 /nfs/dbraw/zinc/46/13/43/563461343.db2.gz XCBVFEBSMVWKIQ-PXAZEXFGSA-N 0 0 315.413 3.978 50 0 DHAARN CC[C@H](NC(=O)c1cn2cc(C)ccc2n1)c1ccc(OC)cc1 ZINC000097939152 563461462 /nfs/dbraw/zinc/46/14/62/563461462.db2.gz UENIRAGIESPSGQ-INIZCTEOSA-N 0 0 323.396 3.532 50 0 DHAARN CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000049318629 563467607 /nfs/dbraw/zinc/46/76/07/563467607.db2.gz QHNATQUGXSUBRF-HNNXBMFYSA-N 0 0 304.187 3.675 50 0 DHAARN Cc1cccc(N2CCN(Cc3c(F)cccc3F)CC2)c1C ZINC000055142249 563471910 /nfs/dbraw/zinc/47/19/10/563471910.db2.gz NUUPTKURZOSYDX-UHFFFAOYSA-N 0 0 316.395 3.904 50 0 DHAARN CC[C@H](C)N(Cc1ccncc1)C(=O)c1cc(C(C)C)on1 ZINC000055211288 563472547 /nfs/dbraw/zinc/47/25/47/563472547.db2.gz YLIVGOXMYGNWPZ-ZDUSSCGKSA-N 0 0 301.390 3.634 50 0 DHAARN COc1ccccc1CN(Cc1cc(C(C)(C)C)n[nH]1)C1CC1 ZINC000055198972 563472765 /nfs/dbraw/zinc/47/27/65/563472765.db2.gz VNBRLWMHTSTQLZ-UHFFFAOYSA-N 0 0 313.445 3.880 50 0 DHAARN CCCCN(Cc1ccco1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000055282332 563473993 /nfs/dbraw/zinc/47/39/93/563473993.db2.gz BVOPJYAQYKCRRC-KRWDZBQOSA-N 0 0 311.381 3.779 50 0 DHAARN Cc1nc(CC(=O)NC2(c3ccc(Cl)cc3)CCC2)cs1 ZINC000056378574 563477054 /nfs/dbraw/zinc/47/70/54/563477054.db2.gz VKWMKPVQXYOGRR-UHFFFAOYSA-N 0 0 320.845 3.843 50 0 DHAARN CC(C)c1ccc2c(c1)CCCN2C(=O)CCCn1ccnc1 ZINC000058010398 563477645 /nfs/dbraw/zinc/47/76/45/563477645.db2.gz HQRJGZPQXYCYAV-UHFFFAOYSA-N 0 0 311.429 3.766 50 0 DHAARN COCc1ccc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc1 ZINC000096413158 563480987 /nfs/dbraw/zinc/48/09/87/563480987.db2.gz BVNMDFJEYFVLAJ-UHFFFAOYSA-N 0 0 318.442 3.571 50 0 DHAARN CCS(=O)(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1C ZINC000096413045 563481027 /nfs/dbraw/zinc/48/10/27/563481027.db2.gz UODWXWILEOIDKY-AWEZNQCLSA-N 0 0 318.442 3.930 50 0 DHAARN CCN(C(=O)/C=C1\Sc2ccc(Cl)cc2NC1=O)C(C)C ZINC000096422958 563481637 /nfs/dbraw/zinc/48/16/37/563481637.db2.gz PYKCLFXLASRYBT-JYRVWZFOSA-N 0 0 324.833 3.525 50 0 DHAARN COc1ccc(Br)cc1SCc1ccno1 ZINC000096422247 563481751 /nfs/dbraw/zinc/48/17/51/563481751.db2.gz BDPSRADUKNKYKV-UHFFFAOYSA-N 0 0 300.177 3.738 50 0 DHAARN CCN(C)c1cccc(NC(=O)NCc2nc(C)c(C)s2)c1 ZINC000096434518 563482213 /nfs/dbraw/zinc/48/22/13/563482213.db2.gz GVXOIJPADISZSX-UHFFFAOYSA-N 0 0 318.446 3.538 50 0 DHAARN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 ZINC000096433172 563482367 /nfs/dbraw/zinc/48/23/67/563482367.db2.gz DSTMKUNQHMUKIC-DOMZBBRYSA-N 0 0 318.442 3.977 50 0 DHAARN O=C(C[C@H]1CCOC1)Nc1ccc(CNc2ccccc2)cc1 ZINC000096449982 563482773 /nfs/dbraw/zinc/48/27/73/563482773.db2.gz ZMCFDVYMWREFRK-MRXNPFEDSA-N 0 0 310.397 3.664 50 0 DHAARN CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C2CCCC2)s1 ZINC000096454214 563482782 /nfs/dbraw/zinc/48/27/82/563482782.db2.gz RPRAFKROIPYZMX-JSGCOSHPSA-N 0 0 322.474 3.954 50 0 DHAARN COCCC1(CNC(=O)Nc2ccc(SC)cc2)CCC1 ZINC000096474122 563483517 /nfs/dbraw/zinc/48/35/17/563483517.db2.gz FWFIWKHAXKIIHH-UHFFFAOYSA-N 0 0 308.447 3.737 50 0 DHAARN C[C@@H](C(=O)N(Cc1cccs1)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000096467584 563483523 /nfs/dbraw/zinc/48/35/23/563483523.db2.gz AWRBBEVNXAUPRZ-CXAGYDPISA-N 0 0 314.454 3.575 50 0 DHAARN COCCSc1ccc([C@@H](C)NC(=O)NC2CC=CC2)cc1 ZINC000096469914 563483699 /nfs/dbraw/zinc/48/36/99/563483699.db2.gz TZRUETRJSRAALE-CYBMUJFWSA-N 0 0 320.458 3.504 50 0 DHAARN CCc1cc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)on1 ZINC000096478222 563484319 /nfs/dbraw/zinc/48/43/19/563484319.db2.gz YYWSNHRHNKDSLV-QGZVFWFLSA-N 0 0 300.402 3.857 50 0 DHAARN CCSCc1cccc(NC(=O)NC2(C)CCOCC2)c1 ZINC000096495529 563485608 /nfs/dbraw/zinc/48/56/08/563485608.db2.gz XYHSIWCWZNZTBK-UHFFFAOYSA-N 0 0 308.447 3.630 50 0 DHAARN c1nn2c(nccc2-c2ccc3c(c2)OCO3)c1-c1ccccc1 ZINC000067631136 563487975 /nfs/dbraw/zinc/48/79/75/563487975.db2.gz IYUYUUHXJGJACL-UHFFFAOYSA-N 0 0 315.332 3.792 50 0 DHAARN Cc1ccc(NC(=O)c2cccc(Oc3ncccn3)c2)cc1 ZINC000067448158 563488089 /nfs/dbraw/zinc/48/80/89/563488089.db2.gz HDNYEFDQXKROPH-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN Cc1c(CO)cccc1-n1ccnc1-c1c(F)cc(F)cc1F ZINC000067675987 563488468 /nfs/dbraw/zinc/48/84/68/563488468.db2.gz PHOABOLNFVUEIO-UHFFFAOYSA-N 0 0 318.298 3.757 50 0 DHAARN COc1ccc2c(C)nc(N(C)Cc3cc(C)cc(C)n3)nc2c1 ZINC000067755126 563490418 /nfs/dbraw/zinc/49/04/18/563490418.db2.gz ZOVWOZXCPBIXKA-UHFFFAOYSA-N 0 0 322.412 3.595 50 0 DHAARN CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nccn1C ZINC000067788583 563490461 /nfs/dbraw/zinc/49/04/61/563490461.db2.gz LHBKUNINWHOVSV-ZDUSSCGKSA-N 0 0 313.426 3.906 50 0 DHAARN C[C@H](c1ccccc1)n1cnnc1Cc1c[nH]c2ccccc12 ZINC000067757322 563490707 /nfs/dbraw/zinc/49/07/07/563490707.db2.gz OFPHIHSWCQIMLQ-CQSZACIVSA-N 0 0 302.381 3.960 50 0 DHAARN CC(C)c1cncnc1N1Cc2cnc(-c3ccccc3)nc2C1 ZINC000067804497 563491329 /nfs/dbraw/zinc/49/13/29/563491329.db2.gz PFYFAQYREYTNLC-UHFFFAOYSA-N 0 0 317.396 3.577 50 0 DHAARN Cc1ccc2[nH]c([C@H](C(C)C)n3cc4[nH]cccc-4c3=O)nc2c1 ZINC000067821118 563491452 /nfs/dbraw/zinc/49/14/52/563491452.db2.gz ACXOESGQVZQNKU-KRWDZBQOSA-N 0 0 320.396 3.619 50 0 DHAARN c1cn(CCc2ccccn2)c(-c2ccc(-c3cc[nH]n3)s2)n1 ZINC000067822061 563491514 /nfs/dbraw/zinc/49/15/14/563491514.db2.gz CVIRUPULSIVAEQ-UHFFFAOYSA-N 0 0 321.409 3.639 50 0 DHAARN Cc1cc(-c2nccn2Cc2cc(-c3cccnc3)no2)oc1C ZINC000067817101 563491559 /nfs/dbraw/zinc/49/15/59/563491559.db2.gz SSKABLHJVCOZOX-UHFFFAOYSA-N 0 0 320.352 3.858 50 0 DHAARN CC(C)n1ccnc1CN1CCC[C@H](C(=O)c2cccs2)C1 ZINC000067821646 563491640 /nfs/dbraw/zinc/49/16/40/563491640.db2.gz SAHSWAOEVNOPER-AWEZNQCLSA-N 0 0 317.458 3.620 50 0 DHAARN Cc1cccc(-n2cnnc2[C@H]2CCN2Cc2ccccc2)c1 ZINC000067805584 563491725 /nfs/dbraw/zinc/49/17/25/563491725.db2.gz MGSWEXGAGVHNPD-GOSISDBHSA-N 0 0 304.397 3.523 50 0 DHAARN CC1=C(Cc2cn([C@H](C)c3cnn(C)c3)nn2)C(C)(C)CCC1 ZINC000067840857 563492174 /nfs/dbraw/zinc/49/21/74/563492174.db2.gz LKKNCSVTDBGKKK-CQSZACIVSA-N 0 0 313.449 3.690 50 0 DHAARN Cc1nnc(-c2ccccc2-c2ccc(C(=O)N(C)C)cc2)s1 ZINC000067868833 563492647 /nfs/dbraw/zinc/49/26/47/563492647.db2.gz NFQSVZWFNXVQEF-UHFFFAOYSA-N 0 0 323.421 3.882 50 0 DHAARN CC(C)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067872893 563492892 /nfs/dbraw/zinc/49/28/92/563492892.db2.gz COPXDCBSLCACQC-UHFFFAOYSA-N 0 0 320.339 3.814 50 0 DHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCSCC1 ZINC000067885084 563493098 /nfs/dbraw/zinc/49/30/98/563493098.db2.gz DYHSXGYNOIXSNY-UHFFFAOYSA-N 0 0 308.834 3.852 50 0 DHAARN c1ccc(-c2n[nH]c(Cn3c4ccccc4nc3C3CC3)n2)cc1 ZINC000067880202 563493247 /nfs/dbraw/zinc/49/32/47/563493247.db2.gz NPXSQLSVDOPXQU-UHFFFAOYSA-N 0 0 315.380 3.747 50 0 DHAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1nc(C(C)C)cs1 ZINC000067885077 563493329 /nfs/dbraw/zinc/49/33/29/563493329.db2.gz LILBJILHYQXTJB-ZDUSSCGKSA-N 0 0 319.430 3.849 50 0 DHAARN CN(CCC1=CC[N@H+](C)CC1)C(=O)c1cc2ccccc2s1 ZINC000067973536 563494052 /nfs/dbraw/zinc/49/40/52/563494052.db2.gz KSGSZELFEQVTID-UHFFFAOYSA-N 0 0 314.454 3.625 50 0 DHAARN c1cn(Cc2cccnc2)c(-c2coc(-c3ccccc3)n2)n1 ZINC000067956372 563494067 /nfs/dbraw/zinc/49/40/67/563494067.db2.gz BVVSSZVJWRZURX-UHFFFAOYSA-N 0 0 302.337 3.648 50 0 DHAARN CC(C)Oc1ccccc1-c1cccc(CN2CCOCC2)c1 ZINC000067956073 563494331 /nfs/dbraw/zinc/49/43/31/563494331.db2.gz ABMPKLZTDBILPB-UHFFFAOYSA-N 0 0 311.425 3.973 50 0 DHAARN O=C(CCc1ccc2c(c1)CCO2)Nc1ccccc1Cl ZINC000068741267 563495811 /nfs/dbraw/zinc/49/58/11/563495811.db2.gz VLFMDRMWTCMMDD-UHFFFAOYSA-N 0 0 301.773 3.846 50 0 DHAARN COc1cccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)c1OC ZINC000071279548 563498415 /nfs/dbraw/zinc/49/84/15/563498415.db2.gz OFCLWJCOHXEMRF-GFCCVEGCSA-N 0 0 315.373 3.605 50 0 DHAARN Clc1ccc([C@@H]2CN(Cc3cccc(Cl)n3)CCO2)cc1 ZINC000071385626 563498959 /nfs/dbraw/zinc/49/89/59/563498959.db2.gz DGTZJUNCXPRDKP-HNNXBMFYSA-N 0 0 323.223 3.962 50 0 DHAARN COCc1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1 ZINC000071384694 563499084 /nfs/dbraw/zinc/49/90/84/563499084.db2.gz WMVVJCDSWDPNIW-UHFFFAOYSA-N 0 0 307.752 3.807 50 0 DHAARN CCCN(Cc1c(C)nn(CC)c1C)C(=O)c1ccccc1F ZINC000033174619 563499948 /nfs/dbraw/zinc/49/99/48/563499948.db2.gz IKQXQIVQPLCFDO-UHFFFAOYSA-N 0 0 317.408 3.711 50 0 DHAARN C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(Cl)s1 ZINC000033192587 563500883 /nfs/dbraw/zinc/50/08/83/563500883.db2.gz QHTPIBHJDCACMA-BXKDBHETSA-N 0 0 307.802 3.582 50 0 DHAARN COc1cccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)c1 ZINC000033265393 563503227 /nfs/dbraw/zinc/50/32/27/563503227.db2.gz NGONHAWLUAGLNQ-HNNXBMFYSA-N 0 0 323.396 3.716 50 0 DHAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H](F)c1ccccc1 ZINC000072435825 563503288 /nfs/dbraw/zinc/50/32/88/563503288.db2.gz CHFVVVZGEYQPJJ-GOSISDBHSA-N 0 0 323.371 3.542 50 0 DHAARN COc1cccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)c1 ZINC000033265394 563503711 /nfs/dbraw/zinc/50/37/11/563503711.db2.gz NGONHAWLUAGLNQ-OAHLLOKOSA-N 0 0 323.396 3.716 50 0 DHAARN CC(C)Cn1ncnc1CSc1nnc(C2CCCCC2)o1 ZINC000097047698 563504274 /nfs/dbraw/zinc/50/42/74/563504274.db2.gz TYJDCMRFILSTJU-UHFFFAOYSA-N 0 0 321.450 3.657 50 0 DHAARN CCOC(=O)c1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1 ZINC000000033765 563506295 /nfs/dbraw/zinc/50/62/95/563506295.db2.gz LYFMGMAMIGUZDB-UHFFFAOYSA-N 0 0 312.300 3.719 50 0 DHAARN Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2cc(C)oc2C)n1 ZINC000097110430 563506378 /nfs/dbraw/zinc/50/63/78/563506378.db2.gz JVBIFXMVWKJKQS-BXKDBHETSA-N 0 0 321.446 3.825 50 0 DHAARN CO[C@H](C)c1cccc(NC(=O)NC[C@@H](C)c2nccs2)c1 ZINC000097113215 563506412 /nfs/dbraw/zinc/50/64/12/563506412.db2.gz QTQNVMFWVHTMTE-VXGBXAGGSA-N 0 0 319.430 3.776 50 0 DHAARN CC[C@@H](Cc1cccs1)N[C@@H](C(=O)OC)c1ccccc1 ZINC000097143564 563506612 /nfs/dbraw/zinc/50/66/12/563506612.db2.gz SIKGULZRAPRYIX-GOEBONIOSA-N 0 0 303.427 3.573 50 0 DHAARN CC[C@@H](Cc1cccs1)N[C@H](C(=O)OC)c1ccccc1 ZINC000097143562 563506686 /nfs/dbraw/zinc/50/66/86/563506686.db2.gz SIKGULZRAPRYIX-HOCLYGCPSA-N 0 0 303.427 3.573 50 0 DHAARN Cc1cccc(NC(=O)N(Cc2ccco2)Cc2cccnc2)n1 ZINC000097142717 563506691 /nfs/dbraw/zinc/50/66/91/563506691.db2.gz AULBGOVJJXANCB-UHFFFAOYSA-N 0 0 322.368 3.612 50 0 DHAARN Fc1ccc(Cl)cc1CNc1nnc(-c2ccncc2)o1 ZINC000097142114 563506896 /nfs/dbraw/zinc/50/68/96/563506896.db2.gz SIZGBXZAEVGHCM-UHFFFAOYSA-N 0 0 304.712 3.536 50 0 DHAARN COCc1ccc([C@@H]2CCCN2C(=O)NCCC2=CCCC2)o1 ZINC000097161839 563507631 /nfs/dbraw/zinc/50/76/31/563507631.db2.gz PGVWQOYFMBHQRK-INIZCTEOSA-N 0 0 318.417 3.773 50 0 DHAARN CCn1nc(NC(=O)Nc2cc(F)ccc2F)cc1C1CC1 ZINC000097164607 563507863 /nfs/dbraw/zinc/50/78/63/563507863.db2.gz XWCUHBCAOLGQCW-UHFFFAOYSA-N 0 0 306.316 3.703 50 0 DHAARN O=C(CCc1cccnc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077321141 563509132 /nfs/dbraw/zinc/50/91/32/563509132.db2.gz DIAVGFZKBOOMKT-GOSISDBHSA-N 0 0 312.388 3.907 50 0 DHAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2cnn3ccccc23)C1 ZINC000077378680 563510358 /nfs/dbraw/zinc/51/03/58/563510358.db2.gz CQHHRNWUJWDFBR-MRXNPFEDSA-N 0 0 319.408 3.663 50 0 DHAARN Cc1cc(C(F)(F)F)cc(N2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000077564269 563511999 /nfs/dbraw/zinc/51/19/99/563511999.db2.gz FCJPCMANMXCQRA-NSHDSACASA-N 0 0 310.323 3.516 50 0 DHAARN Cc1ccc(CNc2cccc(OCc3ccncc3)c2)nc1 ZINC000097229071 563513725 /nfs/dbraw/zinc/51/37/25/563513725.db2.gz VGKIQRKBSIBUJY-UHFFFAOYSA-N 0 0 305.381 3.976 50 0 DHAARN C[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 ZINC000097234407 563514400 /nfs/dbraw/zinc/51/44/00/563514400.db2.gz GCWAVGBKHZGBPO-GXTWGEPZSA-N 0 0 318.446 3.512 50 0 DHAARN Cc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1 ZINC000000036019 563514540 /nfs/dbraw/zinc/51/45/40/563514540.db2.gz MPHNFTCUDMPWLY-UHFFFAOYSA-N 0 0 311.406 3.627 50 0 DHAARN C[C@@H](Nc1ccc(CCS(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000097232319 563514545 /nfs/dbraw/zinc/51/45/45/563514545.db2.gz TWVIFLVXVLFAOU-CYBMUJFWSA-N 0 0 321.417 3.586 50 0 DHAARN COCc1ccccc1NC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000097232040 563514552 /nfs/dbraw/zinc/51/45/52/563514552.db2.gz BCLGFJKOFOCYCL-UHFFFAOYSA-N 0 0 318.461 3.672 50 0 DHAARN CCSc1ccc(C(=O)N(C(C)C)C2CCOCC2)cc1 ZINC000097232432 563514568 /nfs/dbraw/zinc/51/45/68/563514568.db2.gz WTVVOHNFIATNFJ-UHFFFAOYSA-N 0 0 307.459 3.828 50 0 DHAARN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc2cc[nH]c21 ZINC000098020536 563516178 /nfs/dbraw/zinc/51/61/78/563516178.db2.gz JWRFFGFASPOASK-HNNXBMFYSA-N 0 0 312.413 3.780 50 0 DHAARN Cc1ncc([C@@H](C)Nc2cccc(Cn3cccn3)c2)c(C)n1 ZINC000097037323 563517009 /nfs/dbraw/zinc/51/70/09/563517009.db2.gz JWAFZILZZQMTMP-CQSZACIVSA-N 0 0 307.401 3.511 50 0 DHAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1ccc(Cl)cc1 ZINC000033269908 563517319 /nfs/dbraw/zinc/51/73/19/563517319.db2.gz PHHKHNROLXOAOS-OAHLLOKOSA-N 0 0 318.804 3.851 50 0 DHAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1cccc(Cl)c1 ZINC000033269904 563517597 /nfs/dbraw/zinc/51/75/97/563517597.db2.gz DOUXXNJLVCNHDG-OAHLLOKOSA-N 0 0 318.804 3.851 50 0 DHAARN COc1ccc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc1 ZINC000033282215 563518333 /nfs/dbraw/zinc/51/83/33/563518333.db2.gz OEUDZHFPZZCVNX-UHFFFAOYSA-N 0 0 318.376 3.687 50 0 biogenic DHAARN Cc1ccc(-c2ccc(C(=O)N3CCC[C@](C)(CO)C3)s2)o1 ZINC000097081745 563518678 /nfs/dbraw/zinc/51/86/78/563518678.db2.gz WHYTVOQNQITLSD-KRWDZBQOSA-N 0 0 319.426 3.551 50 0 DHAARN COc1cccc2c1CCCCN2C(=O)Nc1c(C)noc1C ZINC000585141106 563519081 /nfs/dbraw/zinc/51/90/81/563519081.db2.gz PORVWIJOBRDBCS-UHFFFAOYSA-N 0 0 315.373 3.675 50 0 DHAARN O=C(/C=C/c1ccccc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000585149117 563521775 /nfs/dbraw/zinc/52/17/75/563521775.db2.gz YTHODYROPRQXJM-AIADIJKESA-N 0 0 319.404 3.651 50 0 DHAARN O=C(NCc1noc(C2CCCCC2)n1)c1ccccc1Cl ZINC000033327950 563522473 /nfs/dbraw/zinc/52/24/73/563522473.db2.gz WUXHUZBXHOJQQP-UHFFFAOYSA-N 0 0 319.792 3.701 50 0 DHAARN Cc1cccc(-c2nc(CNC(=O)c3cc(C)ccc3C)no2)c1 ZINC000033327879 563522677 /nfs/dbraw/zinc/52/26/77/563522677.db2.gz LYNGWFKSLUJLDM-UHFFFAOYSA-N 0 0 321.380 3.592 50 0 DHAARN COc1ccc(C(C)=O)cc1CC(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000098071019 563523532 /nfs/dbraw/zinc/52/35/32/563523532.db2.gz BDTVYZAXILILRO-WBMJQRKESA-N 0 0 304.386 3.562 50 0 DHAARN CCCCCn1c2ccccc2nc1SCC(=O)NC1CC1 ZINC000011487801 563527716 /nfs/dbraw/zinc/52/77/16/563527716.db2.gz HRJDJPFDCXRAST-UHFFFAOYSA-N 0 0 317.458 3.597 50 0 DHAARN Cc1cc(=O)oc2cc(Cl)c(OC(=O)c3ccccc3)cc12 ZINC000000089907 563527731 /nfs/dbraw/zinc/52/77/31/563527731.db2.gz GREBACDKQIIOPJ-UHFFFAOYSA-N 0 0 314.724 3.974 50 0 DHAARN Cc1c(Cl)cc(C(=O)N2CCC3(CCO3)CC2)cc1Cl ZINC000095356018 563530075 /nfs/dbraw/zinc/53/00/75/563530075.db2.gz UWZQKURZMUYIAZ-UHFFFAOYSA-N 0 0 314.212 3.697 50 0 DHAARN Cc1[nH]c2c(cccc2F)c1Cc1nc(-c2ccncc2)no1 ZINC000096150588 563533834 /nfs/dbraw/zinc/53/38/34/563533834.db2.gz WLFGBJRVAZYHEJ-UHFFFAOYSA-N 0 0 308.316 3.651 50 0 DHAARN COCCC[C@H]1CCCN(C(=O)Nc2ccc(C)c(OC)c2)C1 ZINC000096140439 563534272 /nfs/dbraw/zinc/53/42/72/563534272.db2.gz JHOPKHRZNMZJDY-OAHLLOKOSA-N 0 0 320.433 3.674 50 0 DHAARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)Nc1cccc(C)c1 ZINC000096180909 563535565 /nfs/dbraw/zinc/53/55/65/563535565.db2.gz KBYCQTVZAWCRMG-ZDUSSCGKSA-N 0 0 301.415 3.959 50 0 DHAARN Cc1nn(-c2ccc(Cl)cc2)c2nnc(-c3ccccc3)nc12 ZINC000096316683 563536247 /nfs/dbraw/zinc/53/62/47/563536247.db2.gz WVMBLOKRXURCRS-UHFFFAOYSA-N 0 0 321.771 3.839 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000096319089 563536375 /nfs/dbraw/zinc/53/63/75/563536375.db2.gz JMUUHRKIGSTBOI-VIFPVBQESA-N 0 0 311.168 3.794 50 0 DHAARN Cc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1 ZINC000096305702 563536565 /nfs/dbraw/zinc/53/65/65/563536565.db2.gz BYILCTHZYLPAOS-UHFFFAOYSA-N 0 0 314.410 3.705 50 0 DHAARN Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc(Cl)c(Cl)c1 ZINC000100043534 563538066 /nfs/dbraw/zinc/53/80/66/563538066.db2.gz IBFKTJCLQKKLDT-WUXMJOGZSA-N 0 0 322.147 3.659 50 0 DHAARN CC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000097217570 563538741 /nfs/dbraw/zinc/53/87/41/563538741.db2.gz WQXCUUGZYMJLDF-SFHVURJKSA-N 0 0 320.396 3.695 50 0 DHAARN Cc1ccnc([C@H](Nc2nccc(-c3ccccn3)n2)C2CC2)c1 ZINC000097360293 563538786 /nfs/dbraw/zinc/53/87/86/563538786.db2.gz JAZOSFRYTQVHIW-GOSISDBHSA-N 0 0 317.396 3.805 50 0 DHAARN CC[C@H](c1cccnc1)N(C)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000097495140 563539466 /nfs/dbraw/zinc/53/94/66/563539466.db2.gz CGDGZDFPXDTCJG-QGZVFWFLSA-N 0 0 320.396 3.695 50 0 DHAARN CC(C)n1cncc1CN(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000097532332 563540428 /nfs/dbraw/zinc/54/04/28/563540428.db2.gz KNTUCKKIJZVKIN-UHFFFAOYSA-N 0 0 317.824 3.626 50 0 DHAARN CO[C@H](C)c1cccc(-c2ncccc2C(=O)N2CCCC2)c1 ZINC000097681679 563540870 /nfs/dbraw/zinc/54/08/70/563540870.db2.gz WDQRXAGOKSTYFX-CQSZACIVSA-N 0 0 310.397 3.692 50 0 DHAARN COC(=O)Cc1cccc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC000097757085 563541930 /nfs/dbraw/zinc/54/19/30/563541930.db2.gz GYNYLGXCVXHBQK-UHFFFAOYSA-N 0 0 310.271 3.968 50 0 DHAARN COC(=O)c1cc(-c2ccc(C=O)cc2)cc(C(F)(F)F)c1 ZINC000097756955 563542096 /nfs/dbraw/zinc/54/20/96/563542096.db2.gz VJGPFFUADVPKBF-UHFFFAOYSA-N 0 0 308.255 3.972 50 0 DHAARN CO[C@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1 ZINC000078934768 563546922 /nfs/dbraw/zinc/54/69/22/563546922.db2.gz WZZGZFWNODQVAN-AWEZNQCLSA-N 0 0 324.302 3.536 50 0 DHAARN CCOc1ccc(N2C(=O)C[C@H]([C@H](C)c3ccccc3)C2=O)cc1 ZINC000100548058 563551958 /nfs/dbraw/zinc/55/19/58/563551958.db2.gz SCYNSNREGRUGKA-RDTXWAMCSA-N 0 0 323.392 3.769 50 0 DHAARN Cc1cc(C2CCC2)nc(NCC[C@@H]2c3ccccc3NC2=O)n1 ZINC000102488199 563559409 /nfs/dbraw/zinc/55/94/09/563559409.db2.gz TYRPBOAYKNYTSC-OAHLLOKOSA-N 0 0 322.412 3.590 50 0 DHAARN COc1ccc(Br)cc1Cn1cnc2ccccc21 ZINC000014214731 563561698 /nfs/dbraw/zinc/56/16/98/563561698.db2.gz FSFJSMIOXMHRNO-UHFFFAOYSA-N 0 0 317.186 3.856 50 0 DHAARN CCC(=O)Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000000101398 563565600 /nfs/dbraw/zinc/56/56/00/563565600.db2.gz RFTIYLHGIWQCPQ-UHFFFAOYSA-N 0 0 324.332 3.784 50 0 biogenic DHAARN Cc1cccc(-c2nc3nc(C)cc(N4CCC(C)CC4)n3n2)c1 ZINC000014610519 563568395 /nfs/dbraw/zinc/56/83/95/563568395.db2.gz NWOZENWNKDYJNH-UHFFFAOYSA-N 0 0 321.428 3.644 50 0 DHAARN O=C(C[C@@H](C(=O)c1ccccc1)n1cccn1)c1ccccc1 ZINC000000105124 563569659 /nfs/dbraw/zinc/56/96/59/563569659.db2.gz BRPOZKPOWBNTPW-KRWDZBQOSA-N 0 0 304.349 3.580 50 0 DHAARN c1sc2ncnc(NC[C@H]3CCCO3)c2c1-c1ccccc1 ZINC000000148102 563573235 /nfs/dbraw/zinc/57/32/35/563573235.db2.gz OUFSQXMTQSPKME-CYBMUJFWSA-N 0 0 311.410 3.949 50 0 DHAARN O=C(OCn1cnc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000000161126 563573904 /nfs/dbraw/zinc/57/39/04/563573904.db2.gz XZEOYGPUEQKENL-UHFFFAOYSA-N 0 0 305.548 3.658 50 0 DHAARN COc1ccc([C@H]2CC(=O)n3c4ccccc4nc3S2)cc1 ZINC000000167086 563573976 /nfs/dbraw/zinc/57/39/76/563573976.db2.gz DECVXCDBMGUMGC-OAHLLOKOSA-N 0 0 310.378 3.922 50 0 DHAARN CCCc1ccc(C(=O)Nc2nnc(SCC)s2)cc1 ZINC000000188386 563576020 /nfs/dbraw/zinc/57/60/20/563576020.db2.gz HZXSCXYYGXUIKM-UHFFFAOYSA-N 0 0 307.444 3.855 50 0 DHAARN O=C(Nc1ccc(Br)c2cccnc12)c1ccco1 ZINC000000186035 563576178 /nfs/dbraw/zinc/57/61/78/563576178.db2.gz MKBGJMYLKLBVSX-UHFFFAOYSA-N 0 0 317.142 3.843 50 0 DHAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1 ZINC000000190382 563576738 /nfs/dbraw/zinc/57/67/38/563576738.db2.gz QLWMKGYEANDTNY-UHFFFAOYSA-N 0 0 311.362 3.940 50 0 DHAARN Cc1ccc(CCn2c3ccccc3c3c2CCN(C)C3)cn1 ZINC000000199910 563577421 /nfs/dbraw/zinc/57/74/21/563577421.db2.gz UPLUVROGBHSYKI-UHFFFAOYSA-N 0 0 305.425 3.575 50 0 biogenic DHAARN CC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000000195526 563577536 /nfs/dbraw/zinc/57/75/36/563577536.db2.gz RTDTYCJFNIHWOS-UHFFFAOYSA-N 0 0 320.757 3.528 50 0 DHAARN Cc1cc(N)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 ZINC000000208674 563578011 /nfs/dbraw/zinc/57/80/11/563578011.db2.gz BPILEAWNRDHBFJ-UHFFFAOYSA-N 0 0 300.365 3.954 50 0 DHAARN CN1C(=O)c2c3c(sc2N[C@@H]1c1ccc(O)cc1)CCCC3 ZINC000000213271 563578594 /nfs/dbraw/zinc/57/85/94/563578594.db2.gz QIIFGBCQKDXNQK-HNNXBMFYSA-N 0 0 314.410 3.529 50 0 DHAARN CCOC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1S2 ZINC000000216427 563578755 /nfs/dbraw/zinc/57/87/55/563578755.db2.gz XXIWFCOIDPHWQN-UHFFFAOYSA-N 0 0 313.378 3.605 50 0 DHAARN Fc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 ZINC000000221837 563579369 /nfs/dbraw/zinc/57/93/69/563579369.db2.gz JCBBNHRCHPMKOX-OLZOCXBDSA-N 0 0 300.362 3.625 50 0 DHAARN O=C(c1ccc(Br)o1)N1CCCc2ccccc21 ZINC000000235775 563580299 /nfs/dbraw/zinc/58/02/99/563580299.db2.gz JDOAQSKYIXMEOP-UHFFFAOYSA-N 0 0 306.159 3.635 50 0 DHAARN O=C(NCc1cccnc1)c1cc2c(ccc3ccccc23)o1 ZINC000000237588 563580550 /nfs/dbraw/zinc/58/05/50/563580550.db2.gz XURRESLVFGSBKR-UHFFFAOYSA-N 0 0 302.333 3.911 50 0 DHAARN Cc1cc(C)c2c3c(c(=O)oc2c1)S[C@H](C(F)(F)F)C3 ZINC000000236318 563580643 /nfs/dbraw/zinc/58/06/43/563580643.db2.gz SCHFSYRLAPIKTN-JTQLQIEISA-N 0 0 300.301 3.989 50 0 DHAARN COc1ccc(C[C@@H](C)CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000000248009 563581835 /nfs/dbraw/zinc/58/18/35/563581835.db2.gz OCCLDECMPRZCBW-CQSZACIVSA-N 0 0 313.397 3.911 50 0 biogenic DHAARN COC(=O)N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000000284000 563584687 /nfs/dbraw/zinc/58/46/87/563584687.db2.gz ZJVFDJIEZADHKN-QMMMGPOBSA-N 0 0 300.544 3.593 50 0 DHAARN O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000277355 563584790 /nfs/dbraw/zinc/58/47/90/563584790.db2.gz FXIZZQOYPHTUCJ-CMDGGOBGSA-N 0 0 322.320 3.777 50 0 DHAARN CC(=O)c1ccc(OC(=O)c2ccccc2Br)cc1 ZINC000000299737 563585919 /nfs/dbraw/zinc/58/59/19/563585919.db2.gz ROHKIBYXHCXWEO-UHFFFAOYSA-N 0 0 319.154 3.871 50 0 DHAARN FC(F)(F)Oc1ccc(I)cc1Cl ZINC000113988939 563586887 /nfs/dbraw/zinc/58/68/87/563586887.db2.gz AJZAFZTXIGBTFF-UHFFFAOYSA-N 0 0 322.451 3.843 50 0 DHAARN C[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(F)c(Cl)c1 ZINC000073050260 563587134 /nfs/dbraw/zinc/58/71/34/563587134.db2.gz LASSDWMDPHCXFA-NSHDSACASA-N 0 0 313.800 3.742 50 0 DHAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1C ZINC000000317037 563588196 /nfs/dbraw/zinc/58/81/96/563588196.db2.gz YQZIOBPKZFHSML-UHFFFAOYSA-N 0 0 324.424 3.921 50 0 DHAARN O=C(c1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000000325234 563588880 /nfs/dbraw/zinc/58/88/80/563588880.db2.gz BORZWSKDMIEBQG-INIZCTEOSA-N 0 0 319.364 3.714 50 0 DHAARN COC(=O)c1oc2ccc(Br)cc2c1-n1cccc1 ZINC000000375937 563591331 /nfs/dbraw/zinc/59/13/31/563591331.db2.gz NFGRNADOIZUJGR-UHFFFAOYSA-N 0 0 320.142 3.773 50 0 DHAARN CCOc1ccc(C(=O)Nc2c3nsnc3ccc2C)cc1 ZINC000000373686 563591370 /nfs/dbraw/zinc/59/13/70/563591370.db2.gz VKOBFRUNSUUFCR-UHFFFAOYSA-N 0 0 313.382 3.651 50 0 DHAARN Clc1ccc(Nc2ccc(-n3ccnc3)nn2)cc1Cl ZINC000000387067 563595027 /nfs/dbraw/zinc/59/50/27/563595027.db2.gz CENQALGCQDZJLK-UHFFFAOYSA-N 0 0 306.156 3.713 50 0 aggregator DHAARN COc1ccc(C2=Nc3ccccc3N(C(C)=O)[C@H]2C)cc1OC ZINC000000387552 563595149 /nfs/dbraw/zinc/59/51/49/563595149.db2.gz JACRQLNQDLBHEM-LBPRGKRZSA-N 0 0 324.380 3.580 50 0 DHAARN Cc1cccc(CO[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000036314790 563596262 /nfs/dbraw/zinc/59/62/62/563596262.db2.gz DXZJMOXOLAYGLK-LJQANCHMSA-N 0 0 309.409 3.816 50 0 DHAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000100628726 563597019 /nfs/dbraw/zinc/59/70/19/563597019.db2.gz JCECMNGPNHNLEM-GOSISDBHSA-N 0 0 318.380 3.651 50 0 DHAARN CC(=O)Nc1ccccc1OCCOc1ccc(Cl)cc1 ZINC000005111851 563597601 /nfs/dbraw/zinc/59/76/01/563597601.db2.gz PFSUURIGQODVJK-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN Cc1cc(C)c(NCc2cc(=O)n3ccsc3n2)c(Cl)c1 ZINC000011723302 563598637 /nfs/dbraw/zinc/59/86/37/563598637.db2.gz ISXGSTJZWVHFBX-UHFFFAOYSA-N 0 0 319.817 3.638 50 0 DHAARN CCC(=O)Nc1ccc(SCc2cc(C)ccc2C)nn1 ZINC000011739050 563598916 /nfs/dbraw/zinc/59/89/16/563598916.db2.gz FCGRLOYITRCMOY-UHFFFAOYSA-N 0 0 301.415 3.734 50 0 DHAARN O=C(Cc1csc(-c2ccccc2F)n1)Nc1nccs1 ZINC000011867507 563600631 /nfs/dbraw/zinc/60/06/31/563600631.db2.gz AYAKDZMAAARLOK-UHFFFAOYSA-N 0 0 319.386 3.587 50 0 DHAARN CCCOc1cccc(C(=O)Nc2onc3c2CCCC3)c1 ZINC000011914327 563601816 /nfs/dbraw/zinc/60/18/16/563601816.db2.gz QZZMHNPKXBNTMN-UHFFFAOYSA-N 0 0 300.358 3.595 50 0 DHAARN FC(F)(F)c1c(Br)ccnc1Br ZINC000238563022 563603096 /nfs/dbraw/zinc/60/30/96/563603096.db2.gz JDHDPJBTMKXLQU-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN O=C(CCn1cccc1)Nc1nc(-c2cccs2)cs1 ZINC000073488447 563603420 /nfs/dbraw/zinc/60/34/20/563603420.db2.gz BQGKFMQOGFMYGK-UHFFFAOYSA-N 0 0 303.412 3.702 50 0 DHAARN Cc1nc2c(c(SCCCOc3ccccc3)n1)CCC2 ZINC000012016936 563603711 /nfs/dbraw/zinc/60/37/11/563603711.db2.gz VLJHFVVUFSWAGR-UHFFFAOYSA-N 0 0 300.427 3.835 50 0 DHAARN Cc1cc(S[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)ncn1 ZINC000012016784 563603763 /nfs/dbraw/zinc/60/37/63/563603763.db2.gz SZQQQWAFTYYUFZ-NSHDSACASA-N 0 0 321.833 3.866 50 0 DHAARN O=C1CCC(=O)N1c1ccc(SCc2ccc(F)cc2)cc1 ZINC000000390249 563606099 /nfs/dbraw/zinc/60/60/99/563606099.db2.gz QOIOTMQLRCWPEI-UHFFFAOYSA-N 0 0 315.369 3.771 50 0 DHAARN COc1ccc(C)cc1NC(=O)Cc1cn(C)c2ccccc12 ZINC000000428544 563612604 /nfs/dbraw/zinc/61/26/04/563612604.db2.gz KBFARIYFFNGEHB-UHFFFAOYSA-N 0 0 308.381 3.677 50 0 DHAARN Cc1cc(C)n(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1 ZINC000000426676 563612659 /nfs/dbraw/zinc/61/26/59/563612659.db2.gz GCRBIVLKNRBOAR-UHFFFAOYSA-N 0 0 308.263 3.558 50 0 DHAARN Cc1cccc(-n2ncc3c2ncnc3N(C)C2CCCCC2)c1 ZINC000000426416 563613412 /nfs/dbraw/zinc/61/34/12/563613412.db2.gz PUNCPSWOZYMXMD-UHFFFAOYSA-N 0 0 321.428 3.893 50 0 DHAARN COc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O ZINC000000430992 563614109 /nfs/dbraw/zinc/61/41/09/563614109.db2.gz HTZMHWQGCANWHO-VUWKKMCJSA-N 0 0 305.333 3.705 50 0 DHAARN CCOc1cccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)c1 ZINC000000445853 563614928 /nfs/dbraw/zinc/61/49/28/563614928.db2.gz QTJQXDRDGUTFPS-MHWRWJLKSA-N 0 0 311.312 3.569 50 0 DHAARN CCOc1ccc(C(=O)Nc2ccccc2OC)cc1OCC ZINC000000030132 563615197 /nfs/dbraw/zinc/61/51/97/563615197.db2.gz JWFHAILNLSSNDW-UHFFFAOYSA-N 0 0 315.369 3.745 50 0 biogenic,in-vitro DHAARN Cc1ccnc(-c2ccc(NC(=O)NCc3cccs3)cc2)n1 ZINC000075140017 563616755 /nfs/dbraw/zinc/61/67/55/563616755.db2.gz YTAVRZXCCDXXCJ-UHFFFAOYSA-N 0 0 324.409 3.835 50 0 DHAARN CCn1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)cn1 ZINC000078711954 563617928 /nfs/dbraw/zinc/61/79/28/563617928.db2.gz HLOITMWZFSOPJZ-UHFFFAOYSA-N 0 0 307.353 3.948 50 0 DHAARN C[C@@H](NC(=O)N[C@H]1CCCOCC1)c1ccc2ccccc2c1 ZINC000179680554 563620301 /nfs/dbraw/zinc/62/03/01/563620301.db2.gz MOHPIDQQANGCNS-KDOFPFPSSA-N 0 0 312.413 3.769 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1F ZINC000002644947 563621566 /nfs/dbraw/zinc/62/15/66/563621566.db2.gz CDKWXHBAEBWCMH-UHFFFAOYSA-N 0 0 310.328 3.719 50 0 DHAARN Cc1c([C@H](C)NCc2cscn2)cnn1-c1ccc(F)cc1 ZINC000062260071 563622123 /nfs/dbraw/zinc/62/21/23/563622123.db2.gz FEPGWBXZCJTUHP-NSHDSACASA-N 0 0 316.405 3.627 50 0 DHAARN Cc1cc(C(F)(F)F)n2nc(SCc3ccccc3)nc2n1 ZINC000034238355 563622367 /nfs/dbraw/zinc/62/23/67/563622367.db2.gz KRTXLIDTXPDVCS-UHFFFAOYSA-N 0 0 324.331 3.744 50 0 DHAARN O=c1oc2c(ccc3c2CN(c2ccccc2)CO3)c2c1CCC2 ZINC000005595284 563624075 /nfs/dbraw/zinc/62/40/75/563624075.db2.gz QZRDAHGHJARUQV-UHFFFAOYSA-N 0 0 319.360 3.638 50 0 DHAARN C[C@H](Oc1cccc(Cl)c1)c1nc(-c2cccnc2)no1 ZINC000000471677 563624944 /nfs/dbraw/zinc/62/49/44/563624944.db2.gz IEBUJSDBOSFJQH-JTQLQIEISA-N 0 0 301.733 3.925 50 0 DHAARN CCN1C(=O)CCc2cc(NC(=O)Oc3ccccc3)ccc21 ZINC000017289083 563627045 /nfs/dbraw/zinc/62/70/45/563627045.db2.gz RVRVZCPZRKQQKP-UHFFFAOYSA-N 0 0 310.353 3.597 50 0 DHAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000017360957 563627277 /nfs/dbraw/zinc/62/72/77/563627277.db2.gz DJSQMSNWUIQTAX-UHFFFAOYSA-N 0 0 313.353 3.671 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000017355880 563627289 /nfs/dbraw/zinc/62/72/89/563627289.db2.gz KFHQQFMTVMUFSL-UHSVVUDUSA-N 0 0 314.429 3.552 50 0 DHAARN O=C(NC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000253801 563629220 /nfs/dbraw/zinc/62/92/20/563629220.db2.gz MFASZCVJPNIPFZ-UHFFFAOYSA-N 0 0 321.852 3.504 50 0 DHAARN CCN(C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(C)C ZINC000162808886 563635425 /nfs/dbraw/zinc/63/54/25/563635425.db2.gz ULPTZVMDONTIFH-UHFFFAOYSA-N 0 0 320.277 3.653 50 0 DHAARN CC(C)(C(=O)Nc1ccncc1F)c1ccc(Cl)cc1F ZINC000189109421 563637948 /nfs/dbraw/zinc/63/79/48/563637948.db2.gz HLXKGSJNVWWESJ-UHFFFAOYSA-N 0 0 310.731 3.930 50 0 DHAARN CCSc1ccccc1C(=O)NC[C@@H](OC)c1ccco1 ZINC000206860406 563639057 /nfs/dbraw/zinc/63/90/57/563639057.db2.gz ZAJRJLBVKNMOLU-CQSZACIVSA-N 0 0 305.399 3.509 50 0 DHAARN O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ccccn1 ZINC000206897312 563639759 /nfs/dbraw/zinc/63/97/59/563639759.db2.gz JFZKFDJJUOLHGO-UHFFFAOYSA-N 0 0 314.348 3.649 50 0 DHAARN O=C(Cc1cccnc1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206874944 563639827 /nfs/dbraw/zinc/63/98/27/563639827.db2.gz BCKAYCCHTGUDEN-KRWDZBQOSA-N 0 0 312.388 3.560 50 0 DHAARN CC(C)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1 ZINC000007782741 563641069 /nfs/dbraw/zinc/64/10/69/563641069.db2.gz FUAVDRIOGGOICW-UHFFFAOYSA-N 0 0 308.425 3.807 50 0 DHAARN Cc1nc(C(F)(F)F)c(C[S@](=O)c2ccoc2C)s1 ZINC000189656944 563643532 /nfs/dbraw/zinc/64/35/32/563643532.db2.gz STMIZZRNBJJRTF-IBGZPJMESA-N 0 0 309.334 3.680 50 0 DHAARN COc1ccc([C@H](CC(=O)NCc2ccco2)C(C)C)cc1 ZINC000000488566 563649150 /nfs/dbraw/zinc/64/91/50/563649150.db2.gz QGVADWWYMLEDGF-QGZVFWFLSA-N 0 0 301.386 3.734 50 0 biogenic DHAARN COc1cccc(C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)c1 ZINC000000488816 563649217 /nfs/dbraw/zinc/64/92/17/563649217.db2.gz GXBXGGUDSAZZJE-UHFFFAOYSA-N 0 0 324.332 3.638 50 0 DHAARN Cc1ccc2[nH]c3c(ncn(CCc4ccc(F)cc4)c3=O)c2c1 ZINC000000501650 563653695 /nfs/dbraw/zinc/65/36/95/563653695.db2.gz JVCQNOAJSRLHML-UHFFFAOYSA-N 0 0 321.355 3.568 50 0 DHAARN O=C(CC(F)(F)F)Nc1cccc(COCc2ccco2)c1 ZINC000046683809 563655656 /nfs/dbraw/zinc/65/56/56/563655656.db2.gz GYUZGHBFLZGRPH-UHFFFAOYSA-N 0 0 313.275 3.887 50 0 DHAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3C)C2)cc1 ZINC000102047544 563657540 /nfs/dbraw/zinc/65/75/40/563657540.db2.gz VEJHPUCHCOPMTB-GOSISDBHSA-N 0 0 318.380 3.651 50 0 DHAARN COC(=O)c1ccccc1NC(=O)c1c(F)cccc1Cl ZINC000013326346 563657738 /nfs/dbraw/zinc/65/77/38/563657738.db2.gz RHDSRTZLGUSYGA-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1 ZINC000000510380 563659812 /nfs/dbraw/zinc/65/98/12/563659812.db2.gz XCCCTOGIKJDXPX-UHFFFAOYSA-N 0 0 322.408 3.955 50 0 DHAARN O=C(C[C@@H](c1ccccc1)c1ccccc1O)N1CCCCC1 ZINC000000521581 563664136 /nfs/dbraw/zinc/66/41/36/563664136.db2.gz ALVVMUBVGMUFLS-SFHVURJKSA-N 0 0 309.409 3.927 50 0 DHAARN CCCC(=O)Nc1ccc2nc(SCC(C)=O)sc2c1 ZINC000000523659 563664560 /nfs/dbraw/zinc/66/45/60/563664560.db2.gz OYENOKWLDLYEBR-UHFFFAOYSA-N 0 0 308.428 3.716 50 0 DHAARN CCOc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 ZINC000000523993 563664588 /nfs/dbraw/zinc/66/45/88/563664588.db2.gz IVRXOQCOHPCQKZ-SJORKVTESA-N 0 0 320.396 3.823 50 0 DHAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1F ZINC000000530133 563665113 /nfs/dbraw/zinc/66/51/13/563665113.db2.gz SXNMXUCLAKUXAZ-UHFFFAOYSA-N 0 0 320.323 3.578 50 0 DHAARN Nn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000000529458 563665119 /nfs/dbraw/zinc/66/51/19/563665119.db2.gz QWZXDMLTWSWBAR-UHFFFAOYSA-N 0 0 316.817 3.605 50 0 DHAARN COc1ccc(OC)c(-n2c(C)c3c(c2C)c(C)nnc3C)c1 ZINC000000544695 563668959 /nfs/dbraw/zinc/66/89/59/563668959.db2.gz ZZRIFAVBXAGGSU-UHFFFAOYSA-N 0 0 311.385 3.671 50 0 DHAARN CC(C)(NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000000550062 563669985 /nfs/dbraw/zinc/66/99/85/563669985.db2.gz SFQMTARSDVFNNS-UHFFFAOYSA-N 0 0 313.788 3.881 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000103704790 563670217 /nfs/dbraw/zinc/67/02/17/563670217.db2.gz UQBJXFWNRGBWRN-GFCCVEGCSA-N 0 0 314.772 3.713 50 0 DHAARN C[C@@H]1CCN(C(=O)/C=C\c2csc(-c3ccc(F)cc3)n2)C1 ZINC000103804467 563670575 /nfs/dbraw/zinc/67/05/75/563670575.db2.gz XYHLIQAFSPWQTE-ZHRWSRJISA-N 0 0 316.401 3.831 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(F)cc1 ZINC000051315980 563675196 /nfs/dbraw/zinc/67/51/96/563675196.db2.gz ILUPEGVEGNJUON-JTQLQIEISA-N 0 0 315.373 3.768 50 0 DHAARN Cc1ccc2nc(CSC/C=C\c3ccccc3)cc(=O)n2c1 ZINC000046806282 563677547 /nfs/dbraw/zinc/67/75/47/563677547.db2.gz YUKMNXCSPHMSNG-YVMONPNESA-N 0 0 322.433 3.950 50 0 DHAARN O=C(CCc1ccccc1O)N1CCC[C@H]1c1ccsc1 ZINC000047166059 563679051 /nfs/dbraw/zinc/67/90/51/563679051.db2.gz DFGBMTKLGPACGC-HNNXBMFYSA-N 0 0 301.411 3.750 50 0 DHAARN COc1ccc(-c2nsc(NC(=O)c3cccs3)n2)cc1 ZINC000012111348 563680914 /nfs/dbraw/zinc/68/09/14/563680914.db2.gz DYBUZWRBTHXIRC-UHFFFAOYSA-N 0 0 317.395 3.528 50 0 DHAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccc(F)cc1 ZINC000012180884 563680995 /nfs/dbraw/zinc/68/09/95/563680995.db2.gz WWEOIZIUSQDVLQ-KNTRCKAVSA-N 0 0 318.348 3.742 50 0 DHAARN COc1ccc(CNC(=O)C2(c3cccs3)CCCC2)cc1 ZINC000012157598 563681006 /nfs/dbraw/zinc/68/10/06/563681006.db2.gz XDFFGLRZRILFJE-UHFFFAOYSA-N 0 0 315.438 3.885 50 0 DHAARN Cc1cc(C(=O)N2CCc3sccc3C2)c2ccccc2n1 ZINC000012215952 563681795 /nfs/dbraw/zinc/68/17/95/563681795.db2.gz VTLNBBAIIBSDHQ-UHFFFAOYSA-N 0 0 308.406 3.803 50 0 DHAARN Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@H](C)c1cccnc1 ZINC000107048886 563682746 /nfs/dbraw/zinc/68/27/46/563682746.db2.gz VVDFTDQEXFYOQX-TZMCWYRMSA-N 0 0 304.825 3.675 50 0 DHAARN O=C(Nc1ccnn1Cc1cccc2ccccc21)c1ccco1 ZINC000044566657 563684383 /nfs/dbraw/zinc/68/43/83/563684383.db2.gz VBWJLXHQOONXHL-UHFFFAOYSA-N 0 0 317.348 3.930 50 0 DHAARN CS[C@@H]1CCC[C@H](N[C@H](Cc2ccncc2)C(F)(F)F)C1 ZINC000108115487 563686963 /nfs/dbraw/zinc/68/69/63/563686963.db2.gz LRSNBORFYNYHHL-BFHYXJOUSA-N 0 0 318.408 3.819 50 0 DHAARN O=C(Cc1noc2ccccc21)N1CCC[C@@H]1c1ccsc1 ZINC000044940630 563687004 /nfs/dbraw/zinc/68/70/04/563687004.db2.gz YYKQMNAVIKGZHK-OAHLLOKOSA-N 0 0 312.394 3.796 50 0 DHAARN Nc1nc(CN2CCC[C@H]2c2ccsc2)nc2ccccc12 ZINC000044977643 563687569 /nfs/dbraw/zinc/68/75/69/563687569.db2.gz HOZXBWDZEZGYTI-HNNXBMFYSA-N 0 0 310.426 3.611 50 0 DHAARN Cc1ccc(CN(C(=O)Nc2nnc(C3CC3)s2)C2CC2)o1 ZINC000044972429 563687729 /nfs/dbraw/zinc/68/77/29/563687729.db2.gz KGCYFUIMCUGTHW-UHFFFAOYSA-N 0 0 318.402 3.513 50 0 DHAARN O=C1NC(=O)/C(=C/c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000045560425 563689510 /nfs/dbraw/zinc/68/95/10/563689510.db2.gz OOXLDSMVLCUVSP-KPKJPENVSA-N 0 0 318.159 3.804 50 0 DHAARN CCCNC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000045740840 563690098 /nfs/dbraw/zinc/69/00/98/563690098.db2.gz MFBZLZGHCNQXKU-CZUORRHYSA-N 0 0 317.433 3.527 50 0 DHAARN CCn1c(=O)oc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000046009853 563691321 /nfs/dbraw/zinc/69/13/21/563691321.db2.gz TYPQZTGEMBWINM-UHFFFAOYSA-N 0 0 316.744 3.520 50 0 DHAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2C)cc1 ZINC000046018142 563691759 /nfs/dbraw/zinc/69/17/59/563691759.db2.gz ISWTVGSGAYVEDJ-QGZVFWFLSA-N 0 0 315.438 3.829 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2cccs2)cc1 ZINC000046018008 563691806 /nfs/dbraw/zinc/69/18/06/563691806.db2.gz YQYIADLFBGELLL-INIZCTEOSA-N 0 0 301.411 3.663 50 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308.381 3.724 50 0 DHAARN CC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000019891813 563695067 /nfs/dbraw/zinc/69/50/67/563695067.db2.gz KMLBVOHMTHIOBG-MJGOQNOKSA-N 0 0 308.381 3.975 50 0 DHAARN Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@H](C)C3CC3)cc12 ZINC000048302906 563695722 /nfs/dbraw/zinc/69/57/22/563695722.db2.gz OILOIVUTEGWGCO-GFCCVEGCSA-N 0 0 319.474 3.933 50 0 DHAARN COCc1cccc(CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1 ZINC000048300426 563695766 /nfs/dbraw/zinc/69/57/66/563695766.db2.gz KESGMBGIXUOIKM-UHFFFAOYSA-N 0 0 322.408 3.861 50 0 DHAARN C[C@@H](NC(=O)NCCCN(C)c1ccccc1)c1ccccc1 ZINC000048324748 563696477 /nfs/dbraw/zinc/69/64/77/563696477.db2.gz WBURABSLCDDJIT-MRXNPFEDSA-N 0 0 311.429 3.573 50 0 DHAARN C[C@H](C(=O)N[C@H](c1cccs1)C1CCCC1)n1ccnc1 ZINC000048333354 563696539 /nfs/dbraw/zinc/69/65/39/563696539.db2.gz KJGZGQWPECOTKO-DOMZBBRYSA-N 0 0 303.431 3.553 50 0 DHAARN CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000048784902 563700124 /nfs/dbraw/zinc/70/01/24/563700124.db2.gz 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ZINC000045901024 563813186 /nfs/dbraw/zinc/81/31/86/563813186.db2.gz MFTXLJWIZQJSLR-UHFFFAOYSA-N 0 0 307.353 3.859 50 0 DHAARN CN(Cc1ccccc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000083864234 563814560 /nfs/dbraw/zinc/81/45/60/563814560.db2.gz WGGFNTFYQNIIHQ-FQEVSTJZSA-N 0 0 322.452 3.872 50 0 DHAARN O=C(c1cc2cc(Br)ccc2s1)N1CCCC1 ZINC000001386246 563814976 /nfs/dbraw/zinc/81/49/76/563814976.db2.gz YYIWVUFCGGTRJN-UHFFFAOYSA-N 0 0 310.216 3.900 50 0 DHAARN COc1cc2ncnc(NCc3ccc(C)cc3)c2cc1OC ZINC000001386820 563814979 /nfs/dbraw/zinc/81/49/79/563814979.db2.gz YAKWQVCFIIHGRR-UHFFFAOYSA-N 0 0 309.369 3.568 50 0 DHAARN CSc1nc2nc(C(F)(F)F)cc(-c3ccccc3)n2n1 ZINC000001386222 563815127 /nfs/dbraw/zinc/81/51/27/563815127.db2.gz JUIOZGLJKQGEPT-UHFFFAOYSA-N 0 0 310.304 3.532 50 0 DHAARN CCSC(NC(=O)Nc1ccc(OC)cc1)SCC ZINC000001390996 563816955 /nfs/dbraw/zinc/81/69/55/563816955.db2.gz HEZNANUPUHNPNU-UHFFFAOYSA-N 0 0 300.449 3.607 50 0 DHAARN COC(=O)c1cc2ccccc2n1Cc1cnc(Cl)s1 ZINC000001394830 563817438 /nfs/dbraw/zinc/81/74/38/563817438.db2.gz YOOFAXUULNZLPD-UHFFFAOYSA-N 0 0 306.774 3.586 50 0 DHAARN COc1cc2ncnc(Nc3cc(F)cc(F)c3)c2cc1OC ZINC000001405327 563819124 /nfs/dbraw/zinc/81/91/24/563819124.db2.gz MBFJJNVYRYFTEP-UHFFFAOYSA-N 0 0 317.295 3.669 50 0 DHAARN CCOc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000000999826 563820158 /nfs/dbraw/zinc/82/01/58/563820158.db2.gz VLNVQTMRPSWICN-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN O=C(Nc1ccn(Cc2ccc(F)cc2)n1)NC1CCCCC1 ZINC000027915803 563821125 /nfs/dbraw/zinc/82/11/25/563821125.db2.gz VQDNDZUJBPJODS-UHFFFAOYSA-N 0 0 316.380 3.525 50 0 DHAARN Cc1cc(C)n(C[C@H](C)NC(=O)N(C)CCC2CCCCC2)n1 ZINC000084102261 563822438 /nfs/dbraw/zinc/82/24/38/563822438.db2.gz BYOYDDMLMRCFSG-HNNXBMFYSA-N 0 0 320.481 3.500 50 0 DHAARN Cc1cc(CC(=O)N2CCCSc3ccc(Cl)cc32)no1 ZINC000084116992 563823209 /nfs/dbraw/zinc/82/32/09/563823209.db2.gz CZEOWJVEIZUSFE-UHFFFAOYSA-N 0 0 322.817 3.708 50 0 DHAARN O=C(Nc1cccc2[nH]c(C(F)(F)F)nc21)c1cccs1 ZINC000001430453 563823606 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CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)cc1 ZINC000012780261 563829670 /nfs/dbraw/zinc/82/96/70/563829670.db2.gz ULBDNTZZDATDMR-ZDUSSCGKSA-N 0 0 302.443 3.770 50 0 DHAARN CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nc(C(C)(C)C)no2)C1(C)C ZINC000084671204 563829719 /nfs/dbraw/zinc/82/97/19/563829719.db2.gz RSEWSAMISPPMLN-YPMHNXCESA-N 0 0 306.406 3.649 50 0 DHAARN COc1ccccc1NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000012777215 563829720 /nfs/dbraw/zinc/82/97/20/563829720.db2.gz CLVAXADOKBYUNK-UHFFFAOYSA-N 0 0 316.323 3.938 50 0 DHAARN CC[C@H](O)CCCNC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000084727833 563830526 /nfs/dbraw/zinc/83/05/26/563830526.db2.gz DPDWUGJUSLAYGF-KRWDZBQOSA-N 0 0 309.409 3.539 50 0 DHAARN CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccn(C)c1 ZINC000084743174 563830784 /nfs/dbraw/zinc/83/07/84/563830784.db2.gz BKRJAJLUNJOZQE-UHFFFAOYSA-N 0 0 302.393 3.997 50 0 DHAARN C[C@H](NC(=O)CN(C)Cc1ccccc1Cl)c1cccs1 ZINC000012785418 563831258 /nfs/dbraw/zinc/83/12/58/563831258.db2.gz JBVUKXRCGOHVFU-LBPRGKRZSA-N 0 0 322.861 3.711 50 0 DHAARN Cn1c(Cn2cnc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000184890586 563831361 /nfs/dbraw/zinc/83/13/61/563831361.db2.gz SZWDECPECADRRY-UHFFFAOYSA-N 0 0 323.787 3.534 50 0 DHAARN NC(=O)c1ccc(COc2ccccc2Cc2ccccc2)cc1 ZINC000012785101 563831521 /nfs/dbraw/zinc/83/15/21/563831521.db2.gz KQMNGDMZNAXBJK-UHFFFAOYSA-N 0 0 317.388 3.955 50 0 DHAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000084796813 563831531 /nfs/dbraw/zinc/83/15/31/563831531.db2.gz JOTVWNDYCVQIAW-VXGBXAGGSA-N 0 0 318.760 3.634 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccc3snnc3c2)c2ccccc21 ZINC000005152189 563832230 /nfs/dbraw/zinc/83/22/30/563832230.db2.gz JXGCNYHNBWDIQX-SNVBAGLBSA-N 0 0 310.382 3.847 50 0 aggregator DHAARN CCOc1ccccc1CNC(=O)c1ccc(F)cc1Cl ZINC000053163310 563834367 /nfs/dbraw/zinc/83/43/67/563834367.db2.gz LKUFGDUJYHZBLO-UHFFFAOYSA-N 0 0 307.752 3.808 50 0 DHAARN O=C(Cc1ccccc1)N[C@H]1CCSc2c(F)cccc21 ZINC000012811139 563835965 /nfs/dbraw/zinc/83/59/65/563835965.db2.gz LCPYDQSWTNZFDZ-HNNXBMFYSA-N 0 0 301.386 3.722 50 0 DHAARN Cc1cc(C)nc(NCn2c3ccccc3sc2=S)n1 ZINC000001463174 563836513 /nfs/dbraw/zinc/83/65/13/563836513.db2.gz LGMNBFJAXZQULP-UHFFFAOYSA-N 0 0 302.428 3.909 50 0 DHAARN CC[C@@H](C(=O)NCC[C@H](O)c1cc(C)oc1C)c1ccccc1 ZINC000085561358 563839451 /nfs/dbraw/zinc/83/94/51/563839451.db2.gz CSOGAEFFLOXZJO-AEFFLSMTSA-N 0 0 315.413 3.630 50 0 DHAARN Cc1nnc([C@@H](C)N2CCC(c3ccc(Cl)cc3)CC2)o1 ZINC000185797287 563842461 /nfs/dbraw/zinc/84/24/61/563842461.db2.gz VMLJVMNNFHDBCQ-LLVKDONJSA-N 0 0 305.809 3.972 50 0 DHAARN Cc1cnccc1CC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000185784745 563842544 /nfs/dbraw/zinc/84/25/44/563842544.db2.gz BKMPQWLXGRIOSG-DJJJIMSYSA-N 0 0 312.388 3.681 50 0 DHAARN O=C(Cc1cccc(F)c1)Nc1nnc(C2CCCCC2)s1 ZINC000012855079 563844981 /nfs/dbraw/zinc/84/49/81/563844981.db2.gz GIKCDCJWBQIULU-UHFFFAOYSA-N 0 0 319.405 3.906 50 0 DHAARN CC[C@@H](NC(=O)N(C)CCc1cccs1)c1nccs1 ZINC000074365513 563845432 /nfs/dbraw/zinc/84/54/32/563845432.db2.gz UAMUTYFEFWIJEU-GFCCVEGCSA-N 0 0 309.460 3.540 50 0 DHAARN COc1ccc(-c2ccc(CNC(=O)N(C)C(C)C)cc2)cc1 ZINC000086424950 563845518 /nfs/dbraw/zinc/84/55/18/563845518.db2.gz CZUZKOCYQKDQPB-UHFFFAOYSA-N 0 0 312.413 3.912 50 0 DHAARN Cc1nc(/C=C/C(=O)Nc2nc(C(F)(F)F)cs2)cs1 ZINC000047899880 563846055 /nfs/dbraw/zinc/84/60/55/563846055.db2.gz BOBHUIQLSZBOGQ-NSCUHMNNSA-N 0 0 319.333 3.579 50 0 DHAARN C[C@H](Nc1cnn(C(C)(C)C)c1)c1nnc(-c2ccccc2)o1 ZINC000186269257 563851085 /nfs/dbraw/zinc/85/10/85/563851085.db2.gz SQSSATZPZBZJPQ-LBPRGKRZSA-N 0 0 311.389 3.861 50 0 DHAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)CCCC2 ZINC000012881741 563852282 /nfs/dbraw/zinc/85/22/82/563852282.db2.gz JJCYYUXNPPZHBM-UHFFFAOYSA-N 0 0 323.392 3.566 50 0 DHAARN COc1ccc(-c2csc(NC(=O)c3occc3C)n2)cc1 ZINC000012896548 563852488 /nfs/dbraw/zinc/85/24/88/563852488.db2.gz MMCQQOSELXPMBE-UHFFFAOYSA-N 0 0 314.366 3.972 50 0 DHAARN Cc1nn(C)c2sc(C(=O)NCc3ccccc3Cl)cc12 ZINC000012884667 563852863 /nfs/dbraw/zinc/85/28/63/563852863.db2.gz YSJIAJOZXYYORA-UHFFFAOYSA-N 0 0 319.817 3.527 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309.454 3.584 50 0 DHAARN Fc1ccccc1NCc1cn2cc(Br)ccc2n1 ZINC000075093228 563859275 /nfs/dbraw/zinc/85/92/75/563859275.db2.gz JACVXWNTGZXPST-UHFFFAOYSA-N 0 0 320.165 3.848 50 0 DHAARN C[C@@H](Nc1ncnc2n[nH]cc21)c1ccc(-c2cccnc2)cc1 ZINC000075092074 563859303 /nfs/dbraw/zinc/85/93/03/563859303.db2.gz KUWDPONSRDTWLS-GFCCVEGCSA-N 0 0 316.368 3.588 50 0 DHAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C)nn1C ZINC000069351280 563859363 /nfs/dbraw/zinc/85/93/63/563859363.db2.gz YAKUJQDOSZNSOC-IRXDYDNUSA-N 0 0 311.429 3.527 50 0 DHAARN CC(C)c1cccc(NC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)c1 ZINC000075092582 563859393 /nfs/dbraw/zinc/85/93/93/563859393.db2.gz ISZWEHJFPYQBLI-SJORKVTESA-N 0 0 312.417 3.922 50 0 DHAARN CCCCCNC(=O)CSc1nc2ccc(Cl)cc2o1 ZINC000012951264 563859798 /nfs/dbraw/zinc/85/97/98/563859798.db2.gz XEKDSDGEXADJAK-UHFFFAOYSA-N 0 0 312.822 3.880 50 0 DHAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000075136808 563860674 /nfs/dbraw/zinc/86/06/74/563860674.db2.gz 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KDBATVNHYJHSPM-XLFHBGCDSA-N 0 0 315.756 3.957 50 0 DHAARN O=C(NCCc1ccccc1)NCc1ccc(-c2ccoc2)o1 ZINC000575609756 563865800 /nfs/dbraw/zinc/86/58/00/563865800.db2.gz GHHHLLZHZAHVOK-UHFFFAOYSA-N 0 0 310.353 3.582 50 0 DHAARN Cn1cnc2cc(-c3noc(-c4cccc(Cl)c4)n3)ccc21 ZINC000035453236 563867286 /nfs/dbraw/zinc/86/72/86/563867286.db2.gz GZPCFJIUSWJLGH-UHFFFAOYSA-N 0 0 310.744 3.944 50 0 DHAARN C[C@@H]1CCc2sc(C(=O)N(C)Cc3cccnc3)cc2C1 ZINC000049944992 563867620 /nfs/dbraw/zinc/86/76/20/563867620.db2.gz WWVINSXRLQQKRN-GFCCVEGCSA-N 0 0 300.427 3.540 50 0 DHAARN CCOc1ccccc1CCC(=O)NCc1cncc(C2CC2)c1 ZINC000575619241 563867679 /nfs/dbraw/zinc/86/76/79/563867679.db2.gz JNKKTZOPMNMTQF-UHFFFAOYSA-N 0 0 324.424 3.607 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@@H](C)Cc1csc2ccccc12 ZINC000575621764 563868263 /nfs/dbraw/zinc/86/82/63/563868263.db2.gz TZPWWKVTYUXMMO-JTQLQIEISA-N 0 0 314.410 3.867 50 0 DHAARN O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(Cl)s1 ZINC000575620477 563868291 /nfs/dbraw/zinc/86/82/91/563868291.db2.gz NKJLHBTZWOMXTQ-UHFFFAOYSA-N 0 0 318.785 3.987 50 0 DHAARN CC(C)C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000221844304 563869611 /nfs/dbraw/zinc/86/96/11/563869611.db2.gz SCJSHYMJUFKCDR-USXIJHARSA-N 0 0 304.434 3.641 50 0 DHAARN COc1ccc([C@@H]2NC(=S)N[C@@H]3c4ccccc4CC[C@@H]23)cc1 ZINC000226326529 563870016 /nfs/dbraw/zinc/87/00/16/563870016.db2.gz CDPQLJBXDSDFON-OKZBNKHCSA-N 0 0 324.449 3.518 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccncc2)[nH]n1 ZINC000035507896 563870847 /nfs/dbraw/zinc/87/08/47/563870847.db2.gz GWIJCZCOAMWXBY-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN COc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1 ZINC000075421514 563870884 /nfs/dbraw/zinc/87/08/84/563870884.db2.gz TXJJJDCAVQRVRO-UHFFFAOYSA-N 0 0 317.348 3.977 50 0 DHAARN C[C@@H](Nc1ccc(Cl)c(C[S@@](C)=O)c1)c1ccccn1 ZINC000191176688 563871694 /nfs/dbraw/zinc/87/16/94/563871694.db2.gz WRZBXGWXFWRZKK-BIBXISHDSA-N 0 0 308.834 3.787 50 0 DHAARN Fc1ccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)cc1 ZINC000035527574 563872241 /nfs/dbraw/zinc/87/22/41/563872241.db2.gz PQTSZGDZRPSARG-UHFFFAOYSA-N 0 0 310.332 3.538 50 0 DHAARN CCCc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000035594949 563872259 /nfs/dbraw/zinc/87/22/59/563872259.db2.gz DSKDYBSSXISGTC-IBGZPJMESA-N 0 0 309.409 3.853 50 0 DHAARN Cc1ccc(Nc2cc(C)nc3nc(-c4cccnc4)nn32)cc1 ZINC000035528326 563872325 /nfs/dbraw/zinc/87/23/25/563872325.db2.gz ODEHSQYHJXJOFU-UHFFFAOYSA-N 0 0 316.368 3.547 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(F)c3)c2)no1 ZINC000035539569 563872474 /nfs/dbraw/zinc/87/24/74/563872474.db2.gz UJJBBRXYWGMATE-UHFFFAOYSA-N 0 0 311.316 3.745 50 0 DHAARN Cc1cc(C)nc(NC(=O)CCSc2ccc(Cl)cc2)n1 ZINC000035655094 563872769 /nfs/dbraw/zinc/87/27/69/563872769.db2.gz AVBVWZSPYXGLGO-UHFFFAOYSA-N 0 0 321.833 3.868 50 0 DHAARN Cc1ccc(-c2nc3cc(Br)ccc3n2C)nc1 ZINC000122968414 563873040 /nfs/dbraw/zinc/87/30/40/563873040.db2.gz UODOPAMCQVQRFP-UHFFFAOYSA-N 0 0 302.175 3.706 50 0 DHAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2)cc1 ZINC000012998192 563873920 /nfs/dbraw/zinc/87/39/20/563873920.db2.gz KEISMVDQYKZBBG-UHFFFAOYSA-N 0 0 324.409 3.555 50 0 DHAARN O=C(Nc1cccc(C(F)F)c1)N1CCO[C@H](c2ccco2)C1 ZINC000123338166 563874522 /nfs/dbraw/zinc/87/45/22/563874522.db2.gz LTLYXNVZRNEUFN-AWEZNQCLSA-N 0 0 322.311 3.823 50 0 DHAARN Cn1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 ZINC000013003698 563874987 /nfs/dbraw/zinc/87/49/87/563874987.db2.gz UVDPPZOBWSYUNK-KRWDZBQOSA-N 0 0 323.421 3.892 50 0 DHAARN OC1CCC(Nc2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000013010970 563875571 /nfs/dbraw/zinc/87/55/71/563875571.db2.gz NNMUCVCTWDHHOO-UHFFFAOYSA-N 0 0 310.319 3.969 50 0 DHAARN COc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1 ZINC000013011063 563875693 /nfs/dbraw/zinc/87/56/93/563875693.db2.gz RVFUTQQNWHPWQH-UHFFFAOYSA-N 0 0 322.311 3.618 50 0 DHAARN CCOC(=S)SCC(=O)c1ccc(Br)cc1 ZINC000001743811 563876124 /nfs/dbraw/zinc/87/61/24/563876124.db2.gz WCILALVNENAVPA-UHFFFAOYSA-N 0 0 319.245 3.686 50 0 DHAARN Cc1ncsc1C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000191497071 563876136 /nfs/dbraw/zinc/87/61/36/563876136.db2.gz ZHNLYCLEOQOPSS-UHFFFAOYSA-N 0 0 318.789 3.543 50 0 DHAARN CCn1cc(-c2ccncc2)cc1C(=O)NCc1cccc(C)c1 ZINC000075508962 563877544 /nfs/dbraw/zinc/87/75/44/563877544.db2.gz FHYSYTMCDPWPLQ-UHFFFAOYSA-N 0 0 319.408 3.808 50 0 DHAARN COc1ccc([C@H](CC(=O)c2ccccc2)SCCO)cc1 ZINC000001793590 563878547 /nfs/dbraw/zinc/87/85/47/563878547.db2.gz LYYZUIUOVASCPA-SFHVURJKSA-N 0 0 316.422 3.735 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000241930376 563881057 /nfs/dbraw/zinc/88/10/57/563881057.db2.gz UIAVODIDGSEKLU-UWWQBHOKSA-N 0 0 314.429 3.734 50 0 DHAARN CCC1CCC(Nc2cccc(CS(C)(=O)=O)c2C)CC1 ZINC000092135440 563882236 /nfs/dbraw/zinc/88/22/36/563882236.db2.gz KBCCERNAAPPGOC-UHFFFAOYSA-N 0 0 309.475 3.920 50 0 DHAARN Cc1nn(Cc2ccccc2)c(C)c1CNc1ccccc1CO ZINC000092142171 563882409 /nfs/dbraw/zinc/88/24/09/563882409.db2.gz FLOKAKUYZPOFBH-UHFFFAOYSA-N 0 0 321.424 3.653 50 0 DHAARN CCOc1ccc2ccccc2c1COC(=O)[C@H]1CCO[C@@H]1C ZINC000092309402 563882805 /nfs/dbraw/zinc/88/28/05/563882805.db2.gz TWYWSADOLPKJPC-HIFRSBDPSA-N 0 0 314.381 3.707 50 0 DHAARN CCn1c(SCc2cccc(C)c2)nnc1-c1ccccn1 ZINC000000527339 563883862 /nfs/dbraw/zinc/88/38/62/563883862.db2.gz LOYIDYBWJQXWQU-UHFFFAOYSA-N 0 0 310.426 3.961 50 0 DHAARN CN(c1ccccc1NC(=O)Cc1cccnc1)C1CCCC1 ZINC000089365583 563884944 /nfs/dbraw/zinc/88/49/44/563884944.db2.gz KYGVSXDOEHFKCW-UHFFFAOYSA-N 0 0 309.413 3.642 50 0 DHAARN Fc1ccc2c(NCc3ccc(-n4ccnc4)nc3)cc[nH+]c2c1 ZINC000075611365 563885044 /nfs/dbraw/zinc/88/50/44/563885044.db2.gz QNHSHFMDGRQZSK-UHFFFAOYSA-N 0 0 319.343 3.567 50 0 DHAARN CC(C)(C)c1cnc(CCC(=O)N2CCc3ccc(F)cc32)o1 ZINC000192190865 563885301 /nfs/dbraw/zinc/88/53/01/563885301.db2.gz BEYDYPVCDFIOSL-UHFFFAOYSA-N 0 0 316.376 3.633 50 0 DHAARN O=C(Cc1cccc2ccccc21)NC[C@H]1COc2ccccc21 ZINC000576260547 563885627 /nfs/dbraw/zinc/88/56/27/563885627.db2.gz JQEZALSDOQKXDH-KRWDZBQOSA-N 0 0 317.388 3.675 50 0 DHAARN Cc1noc2ncnc(Nc3ccc(C)c(OC(F)F)c3)c12 ZINC000192456053 563885820 /nfs/dbraw/zinc/88/58/20/563885820.db2.gz IBGAMVLREXBFKY-UHFFFAOYSA-N 0 0 306.272 3.580 50 0 DHAARN Cc1ccccc1NC(=O)COC(=O)c1cccc2ccccc21 ZINC000001960545 563885945 /nfs/dbraw/zinc/88/59/45/563885945.db2.gz SMVKRGFZXWFOAZ-UHFFFAOYSA-N 0 0 319.360 3.944 50 0 DHAARN COc1cc(F)c(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000089420801 563887452 /nfs/dbraw/zinc/88/74/52/563887452.db2.gz ANFYUCZNGVZKMP-HZMBPMFUSA-N 0 0 310.344 3.770 50 0 DHAARN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1nnc3ccccn31)CCCO2 ZINC000089511342 563888964 /nfs/dbraw/zinc/88/89/64/563888964.db2.gz XCECHDUKHFCYOY-GOEBONIOSA-N 0 0 322.412 3.602 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccccc1 ZINC000006571328 563890497 /nfs/dbraw/zinc/89/04/97/563890497.db2.gz DJNLNGAZQVYLIJ-UHFFFAOYSA-N 0 0 320.439 3.960 50 0 DHAARN Cc1oc(-c2ccco2)nc1COc1nnc(-c2ccccc2)o1 ZINC000089548177 563890871 /nfs/dbraw/zinc/89/08/71/563890871.db2.gz QKTHADZEYYOYBJ-UHFFFAOYSA-N 0 0 323.308 3.872 50 0 DHAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)N1CCCC1 ZINC000064657463 563892101 /nfs/dbraw/zinc/89/21/01/563892101.db2.gz RZDWIBNRZJQLOD-UHFFFAOYSA-N 0 0 310.422 3.992 50 0 DHAARN O=C(c1cccc(Cl)c1)N1CC(OCc2cccc(F)c2)C1 ZINC000064665982 563892413 /nfs/dbraw/zinc/89/24/13/563892413.db2.gz IOYZVWALUWSABK-UHFFFAOYSA-N 0 0 319.763 3.520 50 0 DHAARN CCn1cnc2ccc(-c3noc(-c4ccccc4F)n3)cc21 ZINC000064759480 563892680 /nfs/dbraw/zinc/89/26/80/563892680.db2.gz JWKCZDHNHXWBHV-UHFFFAOYSA-N 0 0 308.316 3.912 50 0 DHAARN Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C(C)C)o1 ZINC000036097721 563892717 /nfs/dbraw/zinc/89/27/17/563892717.db2.gz WDCREZQDKIUQND-KRWDZBQOSA-N 0 0 317.429 3.547 50 0 DHAARN CCn1cnc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc21 ZINC000064759473 563892846 /nfs/dbraw/zinc/89/28/46/563892846.db2.gz VOHOXXLVAMGAND-UHFFFAOYSA-N 0 0 320.352 3.782 50 0 DHAARN CC1CCN(c2nc(N3CCc4ccccc43)ncc2F)CC1 ZINC000006671764 563892908 /nfs/dbraw/zinc/89/29/08/563892908.db2.gz TYAFPEWTRLEBDW-UHFFFAOYSA-N 0 0 312.392 3.546 50 0 DHAARN COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)C(C)C)c1OC ZINC000036097285 563893143 /nfs/dbraw/zinc/89/31/43/563893143.db2.gz MAVRANRJHVRQIC-KRWDZBQOSA-N 0 0 323.477 3.569 50 0 DHAARN CCc1ccccc1NC(=O)c1cc(C(C)C)n2nccc2n1 ZINC000064760815 563893527 /nfs/dbraw/zinc/89/35/27/563893527.db2.gz ZTCOFUCTLRFIKC-UHFFFAOYSA-N 0 0 308.385 3.667 50 0 DHAARN O=C(Nc1ccccc1F)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818517 563894416 /nfs/dbraw/zinc/89/44/16/563894416.db2.gz CPWDOJIEUIHGAC-UHFFFAOYSA-N 0 0 324.359 3.938 50 0 DHAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818518 563894445 /nfs/dbraw/zinc/89/44/45/563894445.db2.gz GLBLEYPNPGIMAU-UHFFFAOYSA-N 0 0 324.359 3.938 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3ccccc3Cl)ccc21 ZINC000064818630 563894455 /nfs/dbraw/zinc/89/44/55/563894455.db2.gz YPIXKTULUJJAFF-UHFFFAOYSA-N 0 0 314.776 3.747 50 0 DHAARN COc1ccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)cc1 ZINC000064968254 563895368 /nfs/dbraw/zinc/89/53/68/563895368.db2.gz UYGLDSPUHDPDPF-UHFFFAOYSA-N 0 0 324.380 3.890 50 0 DHAARN O=C(Nc1cc(F)c(F)c(F)c1)c1noc2c1CCCCC2 ZINC000036354745 563895993 /nfs/dbraw/zinc/89/59/93/563895993.db2.gz DBUCTSLHXBEGBA-UHFFFAOYSA-N 0 0 310.275 3.613 50 0 DHAARN O=C(Nc1ccon1)c1cc2occc2n1Cc1ccccc1 ZINC000036358910 563896422 /nfs/dbraw/zinc/89/64/22/563896422.db2.gz ZEHMIKLECRJFCT-UHFFFAOYSA-N 0 0 307.309 3.523 50 0 DHAARN CC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2)c2ccccc2O1 ZINC000006844407 563896725 /nfs/dbraw/zinc/89/67/25/563896725.db2.gz HTQOYOFAEQACMM-CQSZACIVSA-N 0 0 312.369 3.905 50 0 DHAARN COc1ccccc1[C@@H](C)NC(=O)c1ccccc1SC ZINC000006847729 563897113 /nfs/dbraw/zinc/89/71/13/563897113.db2.gz JLZGGPQLLWZRBQ-GFCCVEGCSA-N 0 0 301.411 3.908 50 0 DHAARN CCc1cc(=O)n(Cc2ccc(C)cc2)c(-c2cccc(F)c2)n1 ZINC000169752743 563897502 /nfs/dbraw/zinc/89/75/02/563897502.db2.gz TYWFOMHMCXWROM-UHFFFAOYSA-N 0 0 322.383 3.969 50 0 DHAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)nn1C(C)(C)C ZINC000036391643 563897980 /nfs/dbraw/zinc/89/79/80/563897980.db2.gz UTYDTAZNCWHXAS-NSHDSACASA-N 0 0 321.371 3.716 50 0 DHAARN C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1 ZINC000036392627 563898277 /nfs/dbraw/zinc/89/82/77/563898277.db2.gz QPLLSSNCJQAQQC-INIZCTEOSA-N 0 0 304.393 3.897 50 0 DHAARN CC(C)NC(=O)CC1(C(=O)Nc2ccc(Cl)cc2)CCCC1 ZINC000006883921 563898365 /nfs/dbraw/zinc/89/83/65/563898365.db2.gz JKONHLMZEUAEAM-UHFFFAOYSA-N 0 0 322.836 3.754 50 0 DHAARN C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000006881002 563898379 /nfs/dbraw/zinc/89/83/79/563898379.db2.gz KXGGSXKFRXUDNZ-CQSZACIVSA-N 0 0 316.832 3.649 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc[nH]2)[nH]n1 ZINC000169773394 563898855 /nfs/dbraw/zinc/89/88/55/563898855.db2.gz JXDPYKJPELWFMH-UHFFFAOYSA-N 0 0 320.274 3.676 50 0 DHAARN CC(C)c1ccc(-c2c(=O)c(=O)c2Nc2ccc(F)cc2)cc1 ZINC000006893408 563898871 /nfs/dbraw/zinc/89/88/71/563898871.db2.gz YYYNKNYQGGGUDY-UHFFFAOYSA-N 0 0 309.340 3.956 50 0 DHAARN O=C(Nc1ccccc1Cn1cccn1)c1cccc(Cl)c1 ZINC000036398332 563898891 /nfs/dbraw/zinc/89/88/91/563898891.db2.gz YQAMXIVQRJNILZ-UHFFFAOYSA-N 0 0 311.772 3.837 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3.795 50 0 DHAARN C[C@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)CC1 ZINC000585121423 1029789235 /nfs/dbraw/zinc/78/92/35/1029789235.db2.gz OYUUHJLZEITYSE-INIZCTEOSA-N 0 0 323.440 3.956 50 0 DHAARN CC[C@@H]1C[C@@H](CC(=O)Nc2ccccc2-c2ncco2)CCO1 ZINC000585126249 1029808813 /nfs/dbraw/zinc/80/88/13/1029808813.db2.gz UDHIWHCTQMBIGH-UONOGXRCSA-N 0 0 314.385 3.875 50 0 DHAARN Cc1cc(-c2noc([C@@H]3CCC(F)(F)C3)n2)cc2[nH]cnc21 ZINC000809417022 1031098415 /nfs/dbraw/zinc/09/84/15/1031098415.db2.gz RHNDIAUVELQKQY-SECBINFHSA-N 0 0 304.300 3.824 50 0 DHAARN CCc1ccc([C@@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000263415023 1031192524 /nfs/dbraw/zinc/19/25/24/1031192524.db2.gz MWNYWVWFMOCWNK-LJQANCHMSA-N 0 0 309.409 3.937 50 0 DHAARN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccnc2ccccc21 ZINC000622781046 1031391571 /nfs/dbraw/zinc/39/15/71/1031391571.db2.gz DKAMLFIIJHJRLG-RDJZCZTQSA-N 0 0 316.351 3.811 50 0 DHAARN COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OC(F)F ZINC000035681621 1031887716 /nfs/dbraw/zinc/88/77/16/1031887716.db2.gz BVYJUNFRSWYFSL-WQLSENKSSA-N 0 0 317.291 3.789 50 0 DHAARN COc1ccc(/C=C\C(=O)N[C@@H](C)c2ccccc2)c(OC)c1 ZINC000006097432 1033371184 /nfs/dbraw/zinc/37/11/84/1033371184.db2.gz FHIXDLPMOYIBGT-HCYCVZQXSA-N 0 0 311.381 3.594 50 0 DHAARN CC[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006910768 1035006197 /nfs/dbraw/zinc/00/61/97/1035006197.db2.gz PLMBPIJTFICDGC-ZDUSSCGKSA-N 0 0 305.381 3.825 50 0 DHAARN Cc1ccc(-n2cccc2CC(=O)N[C@@H](C)c2cccnc2)cc1 ZINC000065170898 1035038532 /nfs/dbraw/zinc/03/85/32/1035038532.db2.gz KIHRTXIHXCRQAD-INIZCTEOSA-N 0 0 319.408 3.601 50 0 DHAARN O=C(Cc1cccn1-c1ccc(Cl)cc1)NC1CCCC1 ZINC000065170728 1035038557 /nfs/dbraw/zinc/03/85/57/1035038557.db2.gz OVAVLBBUIUAOQZ-UHFFFAOYSA-N 0 0 302.805 3.732 50 0 DHAARN CCN(C(=O)c1cc(C)nc2c1c(C)nn2CC)c1ccccc1 ZINC000036615974 1035075104 /nfs/dbraw/zinc/07/51/04/1035075104.db2.gz UQILGQJGHOFDRC-UHFFFAOYSA-N 0 0 322.412 3.735 50 0 DHAARN Cc1nc2cc(NC(=O)COc3cc(C)cc(C)c3)ccc2o1 ZINC000007036602 1035075670 /nfs/dbraw/zinc/07/56/70/1035075670.db2.gz MYRXQMVDGKHTHU-UHFFFAOYSA-N 0 0 310.353 3.771 50 0 DHAARN CC(C)c1ocnc1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000169983506 1035281839 /nfs/dbraw/zinc/28/18/39/1035281839.db2.gz QTOUEROEIGUPNJ-UHFFFAOYSA-N 0 0 307.781 3.770 50 0 DHAARN Cc1ccc(C(=O)Nc2cccn3nc(C(C)C)nc23)cc1F ZINC000065283660 1035282149 /nfs/dbraw/zinc/28/21/49/1035282149.db2.gz NGWRHUADRZWARB-UHFFFAOYSA-N 0 0 312.348 3.553 50 0 DHAARN CCn1cc(-c2ccccc2)cc1C(=O)NCc1ccccn1 ZINC000065307128 1035288413 /nfs/dbraw/zinc/28/84/13/1035288413.db2.gz RFEMHTYPGNQPPS-UHFFFAOYSA-N 0 0 305.381 3.500 50 0 DHAARN CCn1cc(-c2ccc(F)cc2)cc1C(=O)NCc1ccccn1 ZINC000065307122 1035288415 /nfs/dbraw/zinc/28/84/15/1035288415.db2.gz OAUIFGIUBBONLE-UHFFFAOYSA-N 0 0 323.371 3.639 50 0 DHAARN CC(=O)c1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000007107771 1035290136 /nfs/dbraw/zinc/29/01/36/1035290136.db2.gz GBXSZNCZQHMBIB-UHFFFAOYSA-N 0 0 321.735 3.699 50 0 DHAARN CC(C)C[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1cccs1 ZINC000084509998 1035330405 /nfs/dbraw/zinc/33/04/05/1035330405.db2.gz UPPVCOWCOHBWQW-CQSZACIVSA-N 0 0 314.414 3.537 50 0 DHAARN Brc1ccc2nc(CSCc3ccon3)cn2c1 ZINC000084495845 1035330644 /nfs/dbraw/zinc/33/06/44/1035330644.db2.gz XKYQTUTYLKBIGQ-UHFFFAOYSA-N 0 0 324.203 3.518 50 0 DHAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)nc(C)n1 ZINC000347574391 1035459408 /nfs/dbraw/zinc/45/94/08/1035459408.db2.gz VKUOXVBJVAYXIO-JTQLQIEISA-N 0 0 323.318 3.603 50 0 DHAARN C[C@H](NC(=O)N1CC(C2CCC2)C1)C(C)(C)c1ccccc1 ZINC000491980200 1036473110 /nfs/dbraw/zinc/47/31/10/1036473110.db2.gz QVOIWCOWSFWIPX-AWEZNQCLSA-N 0 0 300.446 3.794 50 0 DHAARN O=C(/C=C\Sc1ccccc1)Nc1cccc(N2CCC2=O)c1 ZINC000492675484 1036636042 /nfs/dbraw/zinc/63/60/42/1036636042.db2.gz LCZGMJDKAHDLRL-BENRWUELSA-N 0 0 324.405 3.668 50 0 DHAARN Cc1cc(NC(=O)[C@H](C)SCc2ccc(Cl)s2)no1 ZINC000071794080 1037074607 /nfs/dbraw/zinc/07/46/07/1037074607.db2.gz JTDFUHALTHEUPV-QMMMGPOBSA-N 0 0 316.835 3.958 50 0 DHAARN C[C@H](NC(=O)N(Cc1ccccc1F)C1CC1)c1cccnc1 ZINC000071793561 1037075119 /nfs/dbraw/zinc/07/51/19/1037075119.db2.gz INSRWIBMSNWVQH-ZDUSSCGKSA-N 0 0 313.376 3.656 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2occc2C)cc1OC ZINC000071794346 1037076886 /nfs/dbraw/zinc/07/68/86/1037076886.db2.gz LUAJISAYEXIILF-AWEZNQCLSA-N 0 0 315.369 3.583 50 0 DHAARN C[C@@H]1c2ccsc2CCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000031076030 1037102401 /nfs/dbraw/zinc/10/24/01/1037102401.db2.gz XGXNFFBCWRXVLK-CNELAYHGSA-N 0 0 319.451 3.668 50 0 DHAARN C[C@H](NC(=O)N1C[C@@H]2CC=CC[C@H]2C1)c1csc(C2CC2)n1 ZINC000252581809 1037839254 /nfs/dbraw/zinc/83/92/54/1037839254.db2.gz MYEIZRAJFXYJOM-UBHSHLNASA-N 0 0 317.458 3.689 50 0 DHAARN CN(C)c1ccc(NC(=O)c2cc(Cl)cn2C)cc1Cl ZINC000048296154 1038693976 /nfs/dbraw/zinc/69/39/76/1038693976.db2.gz GUEHTDYEQMTEDU-UHFFFAOYSA-N 0 0 312.200 3.650 50 0 DHAARN O=C(C1CC1)N1CCCN(CCc2ccccc2)c2ccccc21 ZINC000169756371 1040865870 /nfs/dbraw/zinc/86/58/70/1040865870.db2.gz KXKFYMAPNKTBHH-UHFFFAOYSA-N 0 0 320.436 3.882 50 0 DHAARN CCCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)cc1F ZINC000169762754 1040871154 /nfs/dbraw/zinc/87/11/54/1040871154.db2.gz SQNLFKBQEXLFBY-NSHDSACASA-N 0 0 314.788 3.760 50 0 DHAARN CCCN(C[C@H]1CCOC1)C(=O)Nc1cccc(SC)c1 ZINC000169764191 1040873471 /nfs/dbraw/zinc/87/34/71/1040873471.db2.gz ZWIPDSIYCFLZBU-CYBMUJFWSA-N 0 0 308.447 3.689 50 0 DHAARN CCC(CC)c1nc([C@H]2CC(=O)N(C3CCCCC3)C2)no1 ZINC000169792379 1040892195 /nfs/dbraw/zinc/89/21/95/1040892195.db2.gz IGUIKXVFCYXRMP-ZDUSSCGKSA-N 0 0 305.422 3.622 50 0 DHAARN Fc1ccc(-c2nc3nccc(-c4ccco4)n3n2)cc1Cl ZINC000095473658 185372984 /nfs/dbraw/zinc/37/29/84/185372984.db2.gz PUEJYLQGTWYFGG-UHFFFAOYSA-N 0 0 314.707 3.844 50 0 DHAARN CC(C)c1sc(Cl)nc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000095474966 185373097 /nfs/dbraw/zinc/37/30/97/185373097.db2.gz QURDMXZKUQREOY-UHFFFAOYSA-N 0 0 324.789 3.901 50 0 DHAARN CC(C)n1cc(C(=O)NCCc2nccs2)c2ccccc21 ZINC000095477928 185373401 /nfs/dbraw/zinc/37/34/01/185373401.db2.gz CZUICNLMAPGMFP-UHFFFAOYSA-N 0 0 313.426 3.651 50 0 DHAARN CSCCN(C)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC000095510687 185376163 /nfs/dbraw/zinc/37/61/63/185376163.db2.gz XUPKZLMBUMFUJA-UHFFFAOYSA-N 0 0 310.316 3.671 50 0 DHAARN COC[C@@H]1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000095512466 185376361 /nfs/dbraw/zinc/37/63/61/185376361.db2.gz KBBWQSLWIWYUCN-ZDUSSCGKSA-N 0 0 316.323 3.738 50 0 DHAARN CCCCc1ccc(NC(=O)N(CC)Cc2nc(C)no2)cc1 ZINC000095520490 185377255 /nfs/dbraw/zinc/37/72/55/185377255.db2.gz MQWMZENTXDTVBG-UHFFFAOYSA-N 0 0 316.405 3.775 50 0 DHAARN C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076988323 185064077 /nfs/dbraw/zinc/06/40/77/185064077.db2.gz MUOOOORKZRJDPL-KXBFYZLASA-N 0 0 323.440 3.805 50 0 DHAARN COC[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(C)c1Cl ZINC000095527989 185378658 /nfs/dbraw/zinc/37/86/58/185378658.db2.gz BJZIGBXDLZLIRF-JTQLQIEISA-N 0 0 317.216 3.945 50 0 DHAARN CC(C)(C)OC(=O)n1cc(Br)c2ccc(C=O)cc21 ZINC000095616352 185382793 /nfs/dbraw/zinc/38/27/93/185382793.db2.gz SGQSLHQTQWHYER-UHFFFAOYSA-N 0 0 324.174 4.000 50 0 DHAARN COc1ccc(C(C)=O)c(OC(=O)C=Cc2cccs2)c1 ZINC000096619728 185384497 /nfs/dbraw/zinc/38/44/97/185384497.db2.gz YNGKPIQGKWFRSM-VURMDHGXSA-N 0 0 302.351 3.578 50 0 DHAARN O=C1OC(c2ccccc2OC(F)F)=N/C1=C/c1ccsc1 ZINC000096635214 185384673 /nfs/dbraw/zinc/38/46/73/185384673.db2.gz NOKBVIASCHEGJJ-YRNVUSSQSA-N 0 0 321.304 3.694 50 0 DHAARN O=S(=O)(/C=C\c1ccccc1)Nc1ccc(Cl)cc1F ZINC000096747865 185386257 /nfs/dbraw/zinc/38/62/57/185386257.db2.gz PHYQODSHSXMSEQ-HJWRWDBZSA-N 0 0 311.765 3.892 50 0 DHAARN COc1ccccc1-c1nnc(SCc2nc(C)cs2)o1 ZINC000078879604 185121975 /nfs/dbraw/zinc/12/19/75/185121975.db2.gz FPEAVTPVGLWSPU-UHFFFAOYSA-N 0 0 319.411 3.802 50 0 DHAARN CCOCc1cccc(N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000079030452 185147596 /nfs/dbraw/zinc/14/75/96/185147596.db2.gz ACGPVOMQDYGDQV-ZDUSSCGKSA-N 0 0 323.396 3.633 50 0 DHAARN CCOCc1cccc(N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000079030456 185147627 /nfs/dbraw/zinc/14/76/27/185147627.db2.gz ACGPVOMQDYGDQV-CYBMUJFWSA-N 0 0 323.396 3.633 50 0 DHAARN COc1ccccc1/C=C\[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000096794967 185388712 /nfs/dbraw/zinc/38/87/12/185388712.db2.gz ZIXGKHGXCQWXNH-QTJNJRLBSA-N 0 0 320.392 3.765 50 0 DHAARN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000079331138 185165254 /nfs/dbraw/zinc/16/52/54/185165254.db2.gz DVDUARNORKRFKA-SFHVURJKSA-N 0 0 324.380 3.964 50 0 DHAARN Cn1cc(C(=O)NCCn2ccc3ccccc32)c2ccccc21 ZINC000079190762 185161400 /nfs/dbraw/zinc/16/14/00/185161400.db2.gz FWDLDRBVVHJUIF-UHFFFAOYSA-N 0 0 317.392 3.563 50 0 biogenic DHAARN CC(C)[C@@H]1SCC(=O)Nc2c1cnn2Cc1ccccc1 ZINC000079473633 185172741 /nfs/dbraw/zinc/17/27/41/185172741.db2.gz INOPJZBOGCIHDA-HNNXBMFYSA-N 0 0 301.415 3.963 50 0 DHAARN O=C(C[C@@H]1C=CCC1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000079360275 185166855 /nfs/dbraw/zinc/16/68/55/185166855.db2.gz YCSHEEMTYZRXJQ-CQSZACIVSA-N 0 0 303.377 3.552 50 0 DHAARN O=C(/C=C\c1ccccc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000096940860 185393202 /nfs/dbraw/zinc/39/32/02/185393202.db2.gz SVWLNCIAOMSREH-KHPPLWFESA-N 0 0 302.377 3.766 50 0 DHAARN OCc1ccc(CN[C@@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000088766146 185264508 /nfs/dbraw/zinc/26/45/08/185264508.db2.gz YBCPRTVOXLUKRW-IBGZPJMESA-N 0 0 311.356 3.790 50 0 DHAARN CCN(CCc1nccs1)C(=O)c1cccc(F)c1Cl ZINC000089969237 185272446 /nfs/dbraw/zinc/27/24/46/185272446.db2.gz RVMUMSHABDAZNK-UHFFFAOYSA-N 0 0 312.797 3.640 50 0 DHAARN CCCCSCCC(=O)Nc1cccc(-c2nnco2)c1 ZINC000089954840 185271642 /nfs/dbraw/zinc/27/16/42/185271642.db2.gz OYYKAHPBVDJBBB-UHFFFAOYSA-N 0 0 305.403 3.599 50 0 DHAARN Clc1ccc(Cn2cc(NCc3cscn3)cn2)cc1 ZINC000090200316 185286588 /nfs/dbraw/zinc/28/65/88/185286588.db2.gz IFRMKOAIDXOKFA-UHFFFAOYSA-N 0 0 304.806 3.653 50 0 DHAARN Cc1nc2n(n1)CCC[C@H]2N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000090227308 185287540 /nfs/dbraw/zinc/28/75/40/185287540.db2.gz YLAKEFZLIBJFOP-ZWKOPEQDSA-N 0 0 320.487 3.698 50 0 DHAARN CN(Cc1cccc2cnccc21)C(=O)[C@H]1CCc2ccccc21 ZINC000082108546 192356390 /nfs/dbraw/zinc/35/63/90/192356390.db2.gz IEOLEJMXSKDXDX-FQEVSTJZSA-N 0 0 316.404 3.923 50 0 DHAARN COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)on1 ZINC000090609967 185306605 /nfs/dbraw/zinc/30/66/05/185306605.db2.gz MNOWDSHENDZDSX-UHFFFAOYSA-N 0 0 310.309 3.728 50 0 DHAARN Cc1cc(C)c2c([C@H]3Oc4ccccc4[C@H]3O)cc(=O)oc2c1C ZINC000000490061 190614831 /nfs/dbraw/zinc/61/48/31/190614831.db2.gz LWUSYRIVKKUHAD-UYAOXDASSA-N 0 0 322.360 3.885 50 0 biogenic DHAARN COc1cccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)c1 ZINC000000618988 190615712 /nfs/dbraw/zinc/61/57/12/190615712.db2.gz SCMIMKNLYGDCCE-UHFFFAOYSA-N 0 0 307.275 3.732 50 0 DHAARN Cc1nc2nc(NCc3ccccc3Cl)nn2c(C)c1Cl ZINC000002435663 190616089 /nfs/dbraw/zinc/61/60/89/190616089.db2.gz NESUJSJHEIIMKB-UHFFFAOYSA-N 0 0 322.199 3.660 50 0 DHAARN O=S1(=O)c2cccc3cccc(c23)N1Cc1ccccc1F ZINC000000094372 190610949 /nfs/dbraw/zinc/61/09/49/190610949.db2.gz SBLWIBPSXBKNDJ-UHFFFAOYSA-N 0 0 313.353 3.688 50 0 DHAARN CCOC(=O)c1cc(C)nn1-c1nc2ccc(Cl)cc2s1 ZINC000000107014 190611584 /nfs/dbraw/zinc/61/15/84/190611584.db2.gz VEENHUSZNLTQEI-UHFFFAOYSA-N 0 0 321.789 3.621 50 0 DHAARN Cc1ccc(OC(=O)COc2ccc(Br)cc2)cc1 ZINC000000136485 190612249 /nfs/dbraw/zinc/61/22/49/190612249.db2.gz KVXHTIZBTHZAAL-UHFFFAOYSA-N 0 0 321.170 3.742 50 0 DHAARN Cc1ccc(C=Cc2nn(CN3CCC[C@H](C)C3)c(=S)[nH]2)o1 ZINC000096973110 185395138 /nfs/dbraw/zinc/39/51/38/185395138.db2.gz JCDPTNXRJLORIX-KRZKBDHCSA-N 0 0 318.446 3.702 50 0 DHAARN COC[C@@H](C)NC(=O)/C=C\c1ccc(-c2ccccc2F)s1 ZINC000096996458 185395791 /nfs/dbraw/zinc/39/57/91/185395791.db2.gz VZCADFOQANUJDR-VPUINMBXSA-N 0 0 319.401 3.719 50 0 DHAARN O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc2ccccc2c1)C31CC1 ZINC000012360503 190635906 /nfs/dbraw/zinc/63/59/06/190635906.db2.gz FFCPUXZOBLGGJA-USTZCAOPSA-N 0 0 315.372 3.541 50 0 DHAARN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1nccs1 ZINC000092868489 185347192 /nfs/dbraw/zinc/34/71/92/185347192.db2.gz MWQTYMFVUJQEFH-LBPRGKRZSA-N 0 0 319.434 3.632 50 0 DHAARN CC(C)(C)[C@@H](CCO)NC(=O)Nc1ccccc1C(F)(F)F ZINC000095393405 185352075 /nfs/dbraw/zinc/35/20/75/185352075.db2.gz LEUUFDOSBRIDKK-GFCCVEGCSA-N 0 0 318.339 3.624 50 0 DHAARN CC(C)(C)[C@@H](CCO)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000095393407 185352215 /nfs/dbraw/zinc/35/22/15/185352215.db2.gz BRSZJOPBCDUMRF-GFCCVEGCSA-N 0 0 319.232 3.912 50 0 DHAARN CSc1ccc(C(=O)Nc2nc(-c3ccsc3)ns2)o1 ZINC000095395607 185352669 /nfs/dbraw/zinc/35/26/69/185352669.db2.gz JQPPJNWIRSAXSH-UHFFFAOYSA-N 0 0 323.424 3.834 50 0 DHAARN CC(=O)N(C)[C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000095396933 185353004 /nfs/dbraw/zinc/35/30/04/185353004.db2.gz XFNNDPRNYCREIB-OAHLLOKOSA-N 0 0 309.196 3.956 50 0 DHAARN COCCN(Cc1cccs1)C(=O)[C@H](C)c1cccs1 ZINC000095399259 185353766 /nfs/dbraw/zinc/35/37/66/185353766.db2.gz MXFKDOQYOIVSJQ-GFCCVEGCSA-N 0 0 309.456 3.588 50 0 DHAARN C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1ccncc1Cl ZINC000095405213 185355669 /nfs/dbraw/zinc/35/56/69/185355669.db2.gz BQLVTVQLLWJRJA-BONVTDFDSA-N 0 0 306.818 3.504 50 0 DHAARN Cc1ccc(CCC(=O)N(C)[C@@H](c2cccnc2)C(C)C)o1 ZINC000095405768 185355814 /nfs/dbraw/zinc/35/58/14/185355814.db2.gz YWOCPVRBDNSXQD-GOSISDBHSA-N 0 0 300.402 3.771 50 0 DHAARN Cc1c(NC(=O)NCc2ccon2)cccc1OC1CCCC1 ZINC000095406286 185355908 /nfs/dbraw/zinc/35/59/08/185355908.db2.gz FWAROWMEOAPZBK-UHFFFAOYSA-N 0 0 315.373 3.626 50 0 DHAARN Cn1ccnc1C[C@H](Nc1ccncc1Cl)c1ccccc1 ZINC000095408655 185356644 /nfs/dbraw/zinc/35/66/44/185356644.db2.gz WMZDIVAFLQHPPN-INIZCTEOSA-N 0 0 312.804 3.864 50 0 DHAARN Cc1cnc(C[S@](=O)Cc2csc(C3CCCCC3)n2)o1 ZINC000095409617 185356940 /nfs/dbraw/zinc/35/69/40/185356940.db2.gz WNQXOOHUWCEMLK-NRFANRHFSA-N 0 0 324.471 3.936 50 0 DHAARN O=C(N1CCC[C@H](c2ncc[nH]2)C1)C1(Cc2ccccc2)CCC1 ZINC000095411722 185357421 /nfs/dbraw/zinc/35/74/21/185357421.db2.gz DKYXWYNRQADHKH-KRWDZBQOSA-N 0 0 323.440 3.529 50 0 DHAARN O=C(c1cccc(Cl)c1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000095412631 185357972 /nfs/dbraw/zinc/35/79/72/185357972.db2.gz MQXVMZBNXYKAIB-GJZGRUSLSA-N 0 0 319.788 3.661 50 0 DHAARN Cc1ccc(-c2nc(Cn3c(Cl)cccc3=O)cs2)o1 ZINC000095412835 185358045 /nfs/dbraw/zinc/35/80/45/185358045.db2.gz FCXQPPXUEJHXDV-UHFFFAOYSA-N 0 0 306.774 3.575 50 0 DHAARN C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000095414603 185358613 /nfs/dbraw/zinc/35/86/13/185358613.db2.gz FTXKCIOZKCNOMR-CRAIPNDOSA-N 0 0 316.445 3.873 50 0 DHAARN c1csc(-c2oncc2CSc2nnc(C3CC3)[nH]2)c1 ZINC000095437120 185365193 /nfs/dbraw/zinc/36/51/93/185365193.db2.gz QRTSOWOBQWQGBP-UHFFFAOYSA-N 0 0 304.400 3.691 50 0 DHAARN Cc1cc(Br)cnc1NC(=O)CSC(C)(C)C ZINC000095427996 185361908 /nfs/dbraw/zinc/36/19/08/185361908.db2.gz AAHHYCXLVLLXAD-UHFFFAOYSA-N 0 0 317.252 3.623 50 0 DHAARN C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(F)c1Cl ZINC000095427623 185362129 /nfs/dbraw/zinc/36/21/29/185362129.db2.gz AHYSREPSBVGORM-JTQLQIEISA-N 0 0 307.752 3.546 50 0 DHAARN CC(C)N(C(=O)c1ncncc1Cl)c1ccc(Cl)cc1 ZINC000095427917 185362132 /nfs/dbraw/zinc/36/21/32/185362132.db2.gz YJYATTPBZRHBMA-UHFFFAOYSA-N 0 0 310.184 3.839 50 0 DHAARN CCCC(=O)Nc1cccc(NCc2cnn(CCC)c2)c1 ZINC000095428690 185362401 /nfs/dbraw/zinc/36/24/01/185362401.db2.gz CRNNCFYBYKMTME-UHFFFAOYSA-N 0 0 300.406 3.644 50 0 DHAARN CN(C(=O)CCC(C)(C)c1ccccc1)c1ncccc1F ZINC000095436540 185365210 /nfs/dbraw/zinc/36/52/10/185365210.db2.gz CRWWKXKMTKHRMB-UHFFFAOYSA-N 0 0 300.377 3.942 50 0 DHAARN Cc1sc(CS(C)(=O)=O)nc1-c1cc(C)c(C)cc1C ZINC000097002540 185396310 /nfs/dbraw/zinc/39/63/10/185396310.db2.gz WMAZQZAMDAFDTN-UHFFFAOYSA-N 0 0 309.456 3.588 50 0 DHAARN COCCCSc1ccc(NCc2c(C)nn(C)c2C)cc1 ZINC000095429110 185362654 /nfs/dbraw/zinc/36/26/54/185362654.db2.gz GRRVPZWSKQWGMY-UHFFFAOYSA-N 0 0 319.474 3.778 50 0 DHAARN CCOC(=O)CC[C@@H]1CCCCN1c1nc2cc(C)ccc2o1 ZINC000095437237 185365299 /nfs/dbraw/zinc/36/52/99/185365299.db2.gz KTGPPGKSNJCLPN-AWEZNQCLSA-N 0 0 316.401 3.838 50 0 DHAARN CCc1ccc(C)cc1OC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000095451879 185369294 /nfs/dbraw/zinc/36/92/94/185369294.db2.gz CIIMMKLSJWEXRP-UHFFFAOYSA-N 0 0 315.344 3.874 50 0 DHAARN COc1cc(NCCc2ccc(C)cc2)cc(OC)c1OC ZINC000095454334 185369673 /nfs/dbraw/zinc/36/96/73/185369673.db2.gz VPXMGDYAFJFSGD-UHFFFAOYSA-N 0 0 301.386 3.675 50 0 DHAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1OCC[C@H]1C ZINC000095440389 185366315 /nfs/dbraw/zinc/36/63/15/185366315.db2.gz WXIINKNGDNRGMJ-WXHSDQCUSA-N 0 0 310.463 3.519 50 0 DHAARN Fc1cccc(-c2nc(CN3CCC[C@@H]3c3ncc[nH]3)co2)c1 ZINC000095459758 185370582 /nfs/dbraw/zinc/37/05/82/185370582.db2.gz SEABHXFLSMAIJM-OAHLLOKOSA-N 0 0 312.348 3.541 50 0 DHAARN Cc1ccc(CNc2ccc(NC(=O)CCCO)c(C)c2)s1 ZINC000095465967 185371721 /nfs/dbraw/zinc/37/17/21/185371721.db2.gz DGKWDROKFXYXPB-UHFFFAOYSA-N 0 0 318.442 3.688 50 0 DHAARN COCc1ccsc1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000095465976 185371790 /nfs/dbraw/zinc/37/17/90/185371790.db2.gz YCQAZGLQJODGHW-HNNXBMFYSA-N 0 0 301.411 3.776 50 0 DHAARN C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)c1cccnc1 ZINC000097014663 185397304 /nfs/dbraw/zinc/39/73/04/185397304.db2.gz NWTBYHYRFRJPMM-ZDUSSCGKSA-N 0 0 319.355 3.620 50 0 DHAARN CC(C)(C)NC(=O)/C=C\c1ccc(OCc2ccncc2)cc1 ZINC000097015907 185397495 /nfs/dbraw/zinc/39/74/95/185397495.db2.gz LNTCFILHTCRHFN-TWGQIWQCSA-N 0 0 310.397 3.589 50 0 DHAARN CC(C)(C)n1cc(N[C@H](Cc2ccncc2)C(F)(F)F)cn1 ZINC000097038618 185401424 /nfs/dbraw/zinc/40/14/24/185401424.db2.gz ZCLICEWAJCMZHU-CYBMUJFWSA-N 0 0 312.339 3.619 50 0 DHAARN CCNc1ccc(Cl)cc1NC(=O)CCc1c(C)n[nH]c1C ZINC000097048569 185403427 /nfs/dbraw/zinc/40/34/27/185403427.db2.gz YQWYXCJRUOKXHZ-UHFFFAOYSA-N 0 0 320.824 3.683 50 0 DHAARN CC(C)(C)c1ccccc1NC(=O)NCCNc1cccnc1 ZINC000097088161 185408229 /nfs/dbraw/zinc/40/82/29/185408229.db2.gz SNEXGQWUAVCMMS-UHFFFAOYSA-N 0 0 312.417 3.613 50 0 DHAARN CCc1nnsc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000025467806 190650667 /nfs/dbraw/zinc/65/06/67/190650667.db2.gz BYQUYOQDVIVFDV-UHFFFAOYSA-N 0 0 315.320 3.680 50 0 DHAARN C[C@H]1CCN(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000097139901 185414674 /nfs/dbraw/zinc/41/46/74/185414674.db2.gz KQNOKGZITAAWRM-ZDUSSCGKSA-N 0 0 324.380 3.639 50 0 DHAARN O=C(NCCCCC(F)(F)F)[C@H]1C[C@]12CCc1ccccc12 ZINC000225502289 201722392 /nfs/dbraw/zinc/72/23/92/201722392.db2.gz FMPQBXJYCMWBPG-ZBFHGGJFSA-N 0 0 311.347 3.739 50 0 DHAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccco2)C1 ZINC000102736473 185419821 /nfs/dbraw/zinc/41/98/21/185419821.db2.gz WSAFZNGBGLLJJX-LBPRGKRZSA-N 0 0 300.318 3.534 50 0 DHAARN FC(F)(F)COc1ncccc1CNc1nc2ccccc2o1 ZINC000025569365 190652373 /nfs/dbraw/zinc/65/23/73/190652373.db2.gz GLSAFAWCANFYLZ-UHFFFAOYSA-N 0 0 323.274 3.776 50 0 DHAARN COc1cccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c1 ZINC000032915511 190659838 /nfs/dbraw/zinc/65/98/38/190659838.db2.gz GKLZHPRWOCXCCQ-UHFFFAOYSA-N 0 0 321.380 3.750 50 0 DHAARN CCCCO[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1F ZINC000225761102 201743103 /nfs/dbraw/zinc/74/31/03/201743103.db2.gz VBKVKTRXYPKRAD-SECBINFHSA-N 0 0 305.296 3.571 50 0 DHAARN CC(C)c1ccc2nc(CC(=O)c3ccccc3F)[nH]c(=O)c2c1 ZINC000057771647 190688982 /nfs/dbraw/zinc/68/89/82/190688982.db2.gz QQRFIZDTLPZEOC-UHFFFAOYSA-N 0 0 324.355 3.611 50 0 DHAARN CCc1noc2nc(C)nc(NCc3ccccc3Cl)c12 ZINC000064658814 190703035 /nfs/dbraw/zinc/70/30/35/190703035.db2.gz WQXSGTOIOISBGD-UHFFFAOYSA-N 0 0 302.765 3.754 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3ccc(CC)cc3)ccc21 ZINC000064818575 190705717 /nfs/dbraw/zinc/70/57/17/190705717.db2.gz LEHOIQUGLLPDGZ-UHFFFAOYSA-N 0 0 308.385 3.656 50 0 DHAARN CN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(F)c(F)c1 ZINC000108161964 185503786 /nfs/dbraw/zinc/50/37/86/185503786.db2.gz IXJJTXXCYLMTOP-UHFFFAOYSA-N 0 0 320.320 3.958 50 0 DHAARN CC(C)Oc1nn(C)c2ccc(NC(=O)c3cccs3)cc12 ZINC000227164641 201794732 /nfs/dbraw/zinc/79/47/32/201794732.db2.gz YKHQBGUNYHNHQZ-UHFFFAOYSA-N 0 0 315.398 3.674 50 0 DHAARN Cc1oc(-c2ccsc2)nc1CSC[C@H](O)C(F)(F)F ZINC000170608253 197789133 /nfs/dbraw/zinc/78/91/33/197789133.db2.gz JDHUMTUDNKUTGM-JTQLQIEISA-N 0 0 323.361 3.868 50 0 DHAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1ncc2ccccc21 ZINC000170622943 197794581 /nfs/dbraw/zinc/79/45/81/197794581.db2.gz NZEOHLZMZZTVKT-HYVNUMGLSA-N 0 0 313.445 3.613 50 0 DHAARN CC(C)(C)n1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000068292252 190758846 /nfs/dbraw/zinc/75/88/46/190758846.db2.gz RZLSQUSBKCYRSZ-NEPJUHHUSA-N 0 0 317.355 3.945 50 0 DHAARN C[C@@H](NC(=O)N(CC1CC1)C1CCCCC1)c1ccncc1 ZINC000069666060 190803480 /nfs/dbraw/zinc/80/34/80/190803480.db2.gz GYHZLMJWIIHMDP-CQSZACIVSA-N 0 0 301.434 3.897 50 0 DHAARN CCN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C)nn1 ZINC000069845773 190828191 /nfs/dbraw/zinc/82/81/91/190828191.db2.gz SNRGGRVCSPARBT-UHFFFAOYSA-N 0 0 324.211 3.687 50 0 DHAARN C[C@@H](NCc1cccn1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080342441 192150315 /nfs/dbraw/zinc/15/03/15/192150315.db2.gz HQOWGNYBTYBXES-LLVKDONJSA-N 0 0 316.792 3.579 50 0 DHAARN Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000080345121 192150548 /nfs/dbraw/zinc/15/05/48/192150548.db2.gz NSDAPNSMXMCRHH-HUUCEWRRSA-N 0 0 309.365 3.508 50 0 DHAARN O=c1[nH]c2ccccc2nc1SCc1ccc2ccccc2n1 ZINC000071196116 190941183 /nfs/dbraw/zinc/94/11/83/190941183.db2.gz YXRUVAKBCMPZNJ-UHFFFAOYSA-N 0 0 319.389 3.764 50 0 DHAARN C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)c1cnn(C)c1 ZINC000083734606 192380596 /nfs/dbraw/zinc/38/05/96/192380596.db2.gz HXYVHDYVRCTCRM-CQSZACIVSA-N 0 0 324.428 3.523 50 0 DHAARN CCc1nc(CNC(=O)Nc2nc3ccsc3s2)cs1 ZINC000083830326 192385647 /nfs/dbraw/zinc/38/56/47/192385647.db2.gz OPLQZFMNOXCUMN-UHFFFAOYSA-N 0 0 324.456 3.698 50 0 DHAARN CCn1c2ccccc2nc1[C@H]1CCCN1Cc1c(C)noc1C ZINC000083840195 192385672 /nfs/dbraw/zinc/38/56/72/192385672.db2.gz RFHJJFRNRXHJPP-GOSISDBHSA-N 0 0 324.428 3.998 50 0 DHAARN Cc1c(C(=O)N[C@@H]2CCCc3occc32)cnn1-c1ccccc1 ZINC000084045005 192396484 /nfs/dbraw/zinc/39/64/84/192396484.db2.gz MEIJHGAZSDDTNT-QGZVFWFLSA-N 0 0 321.380 3.581 50 0 DHAARN COCCN(CC(F)(F)F)C(=O)c1ccc2sccc2c1 ZINC000083902716 192390986 /nfs/dbraw/zinc/39/09/86/192390986.db2.gz COTDTXIRFDGMJE-UHFFFAOYSA-N 0 0 317.332 3.552 50 0 DHAARN COc1ccc(CNC(=O)NCCC2=CCCCC2)cc1F 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191024981 /nfs/dbraw/zinc/02/49/81/191024981.db2.gz IKJOMJSKLWRMQY-CQSZACIVSA-N 0 0 324.409 3.876 50 0 DHAARN Cc1c(NC(=O)N[C@H](C)c2ccncc2)cccc1OC(F)F ZINC000072083581 191034485 /nfs/dbraw/zinc/03/44/85/191034485.db2.gz YPPCJCMNSXIAKG-LLVKDONJSA-N 0 0 321.327 3.874 50 0 DHAARN Cc1ccn2cc(CN3CCO[C@H](CCCC(C)C)C3)nc2c1 ZINC000071765189 191027022 /nfs/dbraw/zinc/02/70/22/191027022.db2.gz BYBFKOBJJVGEOI-GOSISDBHSA-N 0 0 315.461 3.670 50 0 DHAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000071845476 191031191 /nfs/dbraw/zinc/03/11/91/191031191.db2.gz ZPBGCVMHYDNRFS-WFASDCNBSA-N 0 0 305.466 3.568 50 0 DHAARN COCc1nn2c(nccc2-c2ccco2)c1-c1ccccc1 ZINC000072115784 191037688 /nfs/dbraw/zinc/03/76/88/191037688.db2.gz PMQDRQLIEPGVIA-UHFFFAOYSA-N 0 0 305.337 3.803 50 0 DHAARN CCc1cc(N[C@@H](C)c2nc(C)sc2C)n2nccc2n1 ZINC000072143776 191049894 /nfs/dbraw/zinc/04/98/94/191049894.db2.gz IJTBALDDFVHMFB-VIFPVBQESA-N 0 0 301.419 3.538 50 0 DHAARN CC(=O)c1cccc(CN2CCN(Cc3cccc(C)c3)CC2)c1 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COc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000003602905 181039155 /nfs/dbraw/zinc/03/91/55/181039155.db2.gz OWMXWFXYNXQSPM-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN CNC(=S)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003765656 181045325 /nfs/dbraw/zinc/04/53/25/181045325.db2.gz PALXKTBPCHKKQT-XJKSGUPXSA-N 0 0 315.486 3.700 50 0 DHAARN CCCCC(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 ZINC000003768005 181045391 /nfs/dbraw/zinc/04/53/91/181045391.db2.gz JMQAUIJQLPMVQK-UHFFFAOYSA-N 0 0 318.442 3.668 50 0 DHAARN COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000003607730 181040043 /nfs/dbraw/zinc/04/00/43/181040043.db2.gz YWHYFFZOUHDWIW-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN O=C(N1C[C@@H](c2ccccc2)CC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000003905403 181055230 /nfs/dbraw/zinc/05/52/30/181055230.db2.gz SXFKKRXUZHLCHI-CARYKQCGSA-N 0 0 323.436 3.746 50 0 DHAARN Cc1ccc(O)c(NC(=O)c2noc3c2CCc2ccccc2-3)c1 ZINC000003909434 181057427 /nfs/dbraw/zinc/05/74/27/181057427.db2.gz OEGADVWUTAWBMO-UHFFFAOYSA-N 0 0 320.348 3.707 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccccc1 ZINC000003907625 181055552 /nfs/dbraw/zinc/05/55/52/181055552.db2.gz NIXOXJQXKWMQNM-LBPRGKRZSA-N 0 0 310.328 3.972 50 0 DHAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1O ZINC000003905845 181055716 /nfs/dbraw/zinc/05/57/16/181055716.db2.gz VTPPVZOIAUEQEP-SOFGYWHQSA-N 0 0 323.348 3.834 50 0 DHAARN CCc1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000003833484 181047649 /nfs/dbraw/zinc/04/76/49/181047649.db2.gz AMMWTZBJYARWHS-UHFFFAOYSA-N 0 0 303.427 3.975 50 0 DHAARN COc1ccc([C@@H]2NN=C(Cc3ccccc3)S2)c(OC)c1 ZINC000004018007 181063202 /nfs/dbraw/zinc/06/32/02/181063202.db2.gz YULTUKQZGPATEW-QGZVFWFLSA-N 0 0 314.410 3.595 50 0 DHAARN COc1ccc([C@@H]2OC[C@@]3(CO)[C@H](C)[C@@H]2C(C)=C[C@@H]3C)cc1 ZINC000004026999 181063980 /nfs/dbraw/zinc/06/39/80/181063980.db2.gz RJYHUHMMBLCXKJ-AQQQZIQISA-N 0 0 302.414 3.594 50 0 biogenic DHAARN Cc1c(C)c(=O)oc2c(C)c(O[C@H]3CCCCC3=O)ccc12 ZINC000004028182 181064374 /nfs/dbraw/zinc/06/43/74/181064374.db2.gz KCULEXZSDBOGID-INIZCTEOSA-N 0 0 300.354 3.609 50 0 biogenic DHAARN Cc1c(-c2cccc(NC(=O)CC(C)C)c2)nc2ncccn12 ZINC000004033176 181065081 /nfs/dbraw/zinc/06/50/81/181065081.db2.gz XCZHUCTXCVNKAK-UHFFFAOYSA-N 0 0 308.385 3.689 50 0 DHAARN O=C1C=C(N2CCCC[C@H]2c2cccnc2)C2(CCCCC2)O1 ZINC000003999506 181060418 /nfs/dbraw/zinc/06/04/18/181060418.db2.gz NVFHQMKDKYZVJZ-INIZCTEOSA-N 0 0 312.413 3.752 50 0 biogenic DHAARN CCCSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000004086598 181071056 /nfs/dbraw/zinc/07/10/56/181071056.db2.gz MNYZFRRXGWMLRZ-UHFFFAOYSA-N 0 0 313.835 3.946 50 0 DHAARN O=C(c1ccccc1)c1c(=O)[nH]c(=S)[nH]c1-c1ccccc1 ZINC000004085814 181071188 /nfs/dbraw/zinc/07/11/88/181071188.db2.gz WERLYHHYBGZNQY-UHFFFAOYSA-N 0 0 308.362 3.743 50 0 DHAARN CCSC[C@H]1COC(c2cccn2Cc2ccc(C)cc2)=N1 ZINC000004111971 181074881 /nfs/dbraw/zinc/07/48/81/181074881.db2.gz DCSURIAVXWVBER-MRXNPFEDSA-N 0 0 314.454 3.743 50 0 DHAARN Cc1ccc(/C=C/c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1 ZINC000004060011 181067782 /nfs/dbraw/zinc/06/77/82/181067782.db2.gz AAMSNXJTQPSNDL-DHZHZOJOSA-N 0 0 320.367 3.910 50 0 DHAARN Cc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000004070352 181069437 /nfs/dbraw/zinc/06/94/37/181069437.db2.gz SGGWYDUJTLEOJO-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN O=C(Nc1ccccc1)N1C[C@@H](c2ccc(Cl)cc2)CC1=O ZINC000004171169 181082085 /nfs/dbraw/zinc/08/20/85/181082085.db2.gz RKBNAYVJTZYYPB-ZDUSSCGKSA-N 0 0 314.772 3.888 50 0 DHAARN Cn1c2ccccc2nc(/C=C/c2ccc3ncccc3c2)c1=O ZINC000004178797 181082245 /nfs/dbraw/zinc/08/22/45/181082245.db2.gz NGPUMIJHBIGABX-PKNBQFBNSA-N 0 0 313.360 3.652 50 0 DHAARN O=C(c1ccccc1)N1CCN=C1SCc1ccccc1F ZINC000004120503 181076105 /nfs/dbraw/zinc/07/61/05/181076105.db2.gz SPRFJEZBTMSDJA-UHFFFAOYSA-N 0 0 314.385 3.571 50 0 DHAARN CO[C@](F)(C(=O)Nc1c(Cl)cccc1Cl)C(F)(F)F ZINC000004141916 181078455 /nfs/dbraw/zinc/07/84/55/181078455.db2.gz RNQBUMQKMDGXMX-SECBINFHSA-N 0 0 320.069 3.806 50 0 DHAARN O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 ZINC000004275942 181091244 /nfs/dbraw/zinc/09/12/44/181091244.db2.gz ZIICPNCCHIUJSX-UHFFFAOYSA-N 0 0 317.707 3.781 50 0 DHAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000004276138 181091296 /nfs/dbraw/zinc/09/12/96/181091296.db2.gz QZYUOYRRZUPQNW-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN O=C(CN1C(=O)SC(=Cc2ccccc2)C1=O)c1ccccc1 ZINC000004279266 181091536 /nfs/dbraw/zinc/09/15/36/181091536.db2.gz GZCKGJGAXVUCDU-WJDWOHSUSA-N 0 0 323.373 3.606 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1O ZINC000004279749 181092535 /nfs/dbraw/zinc/09/25/35/181092535.db2.gz QGKDSCOHAXKLQP-RMKNXTFCSA-N 0 0 303.745 3.706 50 0 DHAARN COc1ccc(OC)c(-c2cc[nH]n2)c1OCc1ccccc1 ZINC000004336048 181099505 /nfs/dbraw/zinc/09/95/05/181099505.db2.gz SXANKDJNFANLSS-UHFFFAOYSA-N 0 0 310.353 3.673 50 0 DHAARN COc1ccc2cc(-c3nc4cc(C)ccc4[nH]3)c(=O)oc2c1 ZINC000004386882 181106087 /nfs/dbraw/zinc/10/60/87/181106087.db2.gz RUHUVKHSXCGAFE-UHFFFAOYSA-N 0 0 306.321 3.653 50 0 DHAARN O=C(Nc1ccc(C(=O)c2ccncc2)cc1)c1ccccc1F ZINC000004525660 181120051 /nfs/dbraw/zinc/12/00/51/181120051.db2.gz JRBVXDOXAMHZME-UHFFFAOYSA-N 0 0 320.323 3.704 50 0 DHAARN Cc1cc(OCC(=O)c2ccccc2)c2c(C)cc(=O)oc2c1 ZINC000004540383 181121811 /nfs/dbraw/zinc/12/18/11/181121811.db2.gz HZQFAUORAGUTME-UHFFFAOYSA-N 0 0 308.333 3.672 50 0 DHAARN COc1cc(OC)c(NC(=O)/C=C/c2ccco2)cc1Cl ZINC000004542444 181122362 /nfs/dbraw/zinc/12/23/62/181122362.db2.gz LELPKOPZITUCLB-AATRIKPKSA-N 0 0 307.733 3.602 50 0 DHAARN CC(C)Cn1c2ccccc2nc1SCC(=O)c1ccc[nH]1 ZINC000004484721 181113400 /nfs/dbraw/zinc/11/34/00/181113400.db2.gz PXMKHLHFBXHHMG-UHFFFAOYSA-N 0 0 313.426 3.995 50 0 DHAARN FC(F)(F)c1nnc2sc(-c3cccc(Cl)c3)nn21 ZINC000004487452 181113489 /nfs/dbraw/zinc/11/34/89/181113489.db2.gz GAFIJOXYVDTGLX-UHFFFAOYSA-N 0 0 304.684 3.525 50 0 DHAARN CC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000004510558 181117722 /nfs/dbraw/zinc/11/77/22/181117722.db2.gz RPGRWIFGELQDSW-UHFFFAOYSA-N 0 0 319.360 3.956 50 0 DHAARN COc1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000004511506 181117816 /nfs/dbraw/zinc/11/78/16/181117816.db2.gz SEILJTFLGVHPLH-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN COc1ccc(-c2noc(-c3cccc(F)c3)n2)cc1OC ZINC000004513140 181118247 /nfs/dbraw/zinc/11/82/47/181118247.db2.gz HCOIKLJQGFMFFK-UHFFFAOYSA-N 0 0 300.289 3.560 50 0 DHAARN CCOc1ccc(Cl)cc1-c1nc2ccccc2c(=O)o1 ZINC000004512069 181118428 /nfs/dbraw/zinc/11/84/28/181118428.db2.gz UCAFMMKSOMKRBG-UHFFFAOYSA-N 0 0 301.729 3.907 50 0 DHAARN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000004520512 181119609 /nfs/dbraw/zinc/11/96/09/181119609.db2.gz ODLJPMSPAIVSOK-UHFFFAOYSA-N 0 0 315.344 3.826 50 0 DHAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCC1 ZINC000004551300 181124104 /nfs/dbraw/zinc/12/41/04/181124104.db2.gz MARDCSUIACNYMQ-UHFFFAOYSA-N 0 0 317.392 3.775 50 0 DHAARN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000004564111 181125577 /nfs/dbraw/zinc/12/55/77/181125577.db2.gz YGGAKHAZLJHTRS-SNVBAGLBSA-N 0 0 319.357 3.674 50 0 DHAARN CCSc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000004585863 181127334 /nfs/dbraw/zinc/12/73/34/181127334.db2.gz DPXXHEWRLWZPME-UHFFFAOYSA-N 0 0 315.354 3.694 50 0 DHAARN Cc1nnsc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004584549 181127443 /nfs/dbraw/zinc/12/74/43/181127443.db2.gz WFTCEKNHRIWQQV-UHFFFAOYSA-N 0 0 321.711 3.771 50 0 DHAARN COc1ccc(C(=O)OCC(=O)c2cccc3ccccc32)cc1 ZINC000004593200 181128213 /nfs/dbraw/zinc/12/82/13/181128213.db2.gz QAPMFSLLVQVNOD-UHFFFAOYSA-N 0 0 320.344 3.888 50 0 DHAARN Cc1ccccc1Nc1c(-c2ccccn2)nc2cnccn21 ZINC000004597404 181128936 /nfs/dbraw/zinc/12/89/36/181128936.db2.gz APRPEWFPFBOOGC-UHFFFAOYSA-N 0 0 301.353 3.843 50 0 DHAARN CCCOC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000004673334 181134768 /nfs/dbraw/zinc/13/47/68/181134768.db2.gz YMPADWVUXPZXJJ-UHFFFAOYSA-N 0 0 311.381 3.825 50 0 DHAARN Cc1cc(C)c2c(N)c([S@@](=O)Cc3ccccc3)sc2n1 ZINC000004638943 181130746 /nfs/dbraw/zinc/13/07/46/181130746.db2.gz GPBBBKNSNZATKM-OAQYLSRUSA-N 0 0 316.451 3.803 50 0 DHAARN O=S(=O)(Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000004704357 181139861 /nfs/dbraw/zinc/13/98/61/181139861.db2.gz ATDDBEUEJPQKCM-UHFFFAOYSA-N 0 0 315.316 3.647 50 0 DHAARN Cc1ccc(CN2C(=O)S/C(=C\c3ccccn3)C2=O)cc1 ZINC000004675575 181135190 /nfs/dbraw/zinc/13/51/90/181135190.db2.gz NFRXGZSBYQBUKD-GDNBJRDFSA-N 0 0 310.378 3.627 50 0 DHAARN CC(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000004681394 181136004 /nfs/dbraw/zinc/13/60/04/181136004.db2.gz PPXGYJDEMYJKAV-AWEZNQCLSA-N 0 0 310.397 3.772 50 0 DHAARN Cc1cccc(C(=O)NC(=S)Nc2cccc3ncccc32)c1 ZINC000004703808 181139912 /nfs/dbraw/zinc/13/99/12/181139912.db2.gz VODLFVYQADXDSE-UHFFFAOYSA-N 0 0 321.405 3.670 50 0 DHAARN COc1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c(OC)c1 ZINC000004702653 181139961 /nfs/dbraw/zinc/13/99/61/181139961.db2.gz FGVXVAIWFPQPFK-UHFFFAOYSA-N 0 0 310.353 3.746 50 0 DHAARN CCOc1ccccc1/C=C1/SC(=O)N([C@@H](C)CC)C1=O ZINC000004704838 181140174 /nfs/dbraw/zinc/14/01/74/181140174.db2.gz BYOQBLJKPNKVSF-IWQAVIMZSA-N 0 0 305.399 3.920 50 0 DHAARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)o2)C1=O ZINC000004739660 181145154 /nfs/dbraw/zinc/14/51/54/181145154.db2.gz GZTONNSWUXKBOU-CDDSVFCYSA-N 0 0 320.414 3.715 50 0 DHAARN C[C@@]1(Cc2ccccc2)OC(=O)N2CCc3ccccc3[C@]21C ZINC000004745444 181146802 /nfs/dbraw/zinc/14/68/02/181146802.db2.gz QKFVPBUPWYXICK-PMACEKPBSA-N 0 0 307.393 3.912 50 0 DHAARN COC(=O)c1sccc1NC(=O)c1c(F)cccc1Cl ZINC000004749991 181147714 /nfs/dbraw/zinc/14/77/14/181147714.db2.gz MDMLHZIQXLFOIE-UHFFFAOYSA-N 0 0 313.737 3.580 50 0 DHAARN CC1(C)[C@@]2(C(=O)Oc3cccc4cccnc43)CC[C@]1(C)C(=O)C2 ZINC000004810965 181154536 /nfs/dbraw/zinc/15/45/36/181154536.db2.gz MBFAJMXGNCZOKK-UXHICEINSA-N 0 0 323.392 3.926 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=S)NCCc1ccccc1 ZINC000004806838 181153924 /nfs/dbraw/zinc/15/39/24/181153924.db2.gz CSLLLJUECOBZPA-UHFFFAOYSA-N 0 0 322.433 3.819 50 0 DHAARN CCCCNC(=O)c1ccccc1NC(=O)c1cccc(F)c1 ZINC000004814335 181155065 /nfs/dbraw/zinc/15/50/65/181155065.db2.gz APAQDGVRVSJIJS-UHFFFAOYSA-N 0 0 314.360 3.608 50 0 DHAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2cc(F)cc(F)c2)c1 ZINC000004814534 181155334 /nfs/dbraw/zinc/15/53/34/181155334.db2.gz WENKWZYIZRVFRK-UHFFFAOYSA-N 0 0 318.323 3.812 50 0 DHAARN O=[S@@](N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000004820695 181156680 /nfs/dbraw/zinc/15/66/80/181156680.db2.gz USGKYSYZMCJYHV-DNYAJPDNSA-N 0 0 315.482 3.677 50 0 DHAARN COCCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000004832751 181158629 /nfs/dbraw/zinc/15/86/29/181158629.db2.gz RTBLHTDDKOIULN-UHFFFAOYSA-N 0 0 304.198 3.584 50 0 DHAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(N)=O ZINC000004830439 181158535 /nfs/dbraw/zinc/15/85/35/181158535.db2.gz ZGZXAJHZVGYDKO-GFCCVEGCSA-N 0 0 323.421 3.710 50 0 DHAARN CN(C(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1 ZINC000004838389 181160203 /nfs/dbraw/zinc/16/02/03/181160203.db2.gz ZVOHKRIULPYAQN-UHFFFAOYSA-N 0 0 320.348 3.809 50 0 DHAARN CCOc1ccccc1C(=O)NCCc1c[nH]c2ccc(C)cc12 ZINC000004834736 181159420 /nfs/dbraw/zinc/15/94/20/181159420.db2.gz PMQIJCAGNYFLDI-UHFFFAOYSA-N 0 0 322.408 3.848 50 0 biogenic DHAARN Cc1cccc(-c2noc(CNC(=O)c3cc(C)ccc3C)n2)c1 ZINC000004857058 181163810 /nfs/dbraw/zinc/16/38/10/181163810.db2.gz SBCXFNQTTOZGFY-UHFFFAOYSA-N 0 0 321.380 3.592 50 0 DHAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)NC(C)(C)C)cc1 ZINC000004854522 181163979 /nfs/dbraw/zinc/16/39/79/181163979.db2.gz JTNZRIYAGXLBIT-KRWDZBQOSA-N 0 0 311.429 3.710 50 0 DHAARN Cc1ccc(S(=O)(=O)Oc2cccc3cccnc32)c(C)c1 ZINC000004851789 181163315 /nfs/dbraw/zinc/16/33/15/181163315.db2.gz YCSBIIFNNQFDAP-UHFFFAOYSA-N 0 0 313.378 3.619 50 0 DHAARN COc1ccccc1C(=O)Nc1cc(C)n(Cc2ccccc2)n1 ZINC000004851982 181163415 /nfs/dbraw/zinc/16/34/15/181163415.db2.gz PBKHRRQQOYORJE-UHFFFAOYSA-N 0 0 321.380 3.501 50 0 DHAARN O=c1c2ccccc2[nH]c(=S)n1-c1ccc(OC(F)F)cc1 ZINC000004864026 181165130 /nfs/dbraw/zinc/16/51/30/181165130.db2.gz RNZOSGPPYIFKJB-UHFFFAOYSA-N 0 0 320.320 3.650 50 0 DHAARN CSc1ccc(/C=C/C(=O)OCc2c(C)noc2C)cc1 ZINC000004891468 181168719 /nfs/dbraw/zinc/16/87/19/181168719.db2.gz WIMLMZIECGETSB-RMKNXTFCSA-N 0 0 303.383 3.770 50 0 DHAARN S=C(NC1CCCCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000004898971 181169944 /nfs/dbraw/zinc/16/99/44/181169944.db2.gz CUCPWXTXNJFRPN-UHFFFAOYSA-N 0 0 313.470 3.733 50 0 DHAARN CCC(=O)OCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000004868764 181166400 /nfs/dbraw/zinc/16/64/00/181166400.db2.gz LSNNDWQZILWMNE-UHFFFAOYSA-N 0 0 324.380 3.706 50 0 DHAARN O=Cc1ccccc1OCCCOc1cccc2cccnc21 ZINC000004870371 181166982 /nfs/dbraw/zinc/16/69/82/181166982.db2.gz QGNFGIXTKZKYFC-UHFFFAOYSA-N 0 0 307.349 3.895 50 0 DHAARN COc1ccc(Cl)cc1NC=C1C(=O)Nc2ccccc21 ZINC000004917876 181172994 /nfs/dbraw/zinc/17/29/94/181172994.db2.gz HHRXTJGNAUAXAT-XFXZXTDPSA-N 0 0 300.745 3.754 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)/C(C)=C\c1ccccc1 ZINC000004949311 181178140 /nfs/dbraw/zinc/17/81/40/181178140.db2.gz FMDFJWWTXOACBE-YPKPFQOOSA-N 0 0 309.365 3.905 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2ccc(F)cc2)n1Cc1ccco1 ZINC000004960581 181179971 /nfs/dbraw/zinc/17/99/71/181179971.db2.gz FOUZZGDEWGCWSW-KRWDZBQOSA-N 0 0 323.327 3.580 50 0 DHAARN Nc1ccccc1SCCC(=O)N1CCCc2ccccc21 ZINC000074941361 191392106 /nfs/dbraw/zinc/39/21/06/191392106.db2.gz HMBGBCHVTIYELI-UHFFFAOYSA-N 0 0 312.438 3.730 50 0 DHAARN CC(C)C[C@H]1COC(c2cccn2Cc2ccc(F)cc2)=N1 ZINC000004970392 181181418 /nfs/dbraw/zinc/18/14/18/181181418.db2.gz QYLHSNNKSIQMHE-INIZCTEOSA-N 0 0 300.377 3.867 50 0 DHAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2ccsc2)CC1 ZINC000075157116 191434566 /nfs/dbraw/zinc/43/45/66/191434566.db2.gz ADIGZCKKPFDAJH-CQSZACIVSA-N 0 0 315.438 3.922 50 0 DHAARN Cc1nn(CCC(=O)Oc2ccc(Cl)cc2)c(C)c1Cl ZINC000004988285 181185849 /nfs/dbraw/zinc/18/58/49/181185849.db2.gz GSFOKVASLURARI-UHFFFAOYSA-N 0 0 313.184 3.802 50 0 DHAARN COc1ccc(CNc2ccc(F)c(F)c2)c(OC)c1OC ZINC000004989288 181185873 /nfs/dbraw/zinc/18/58/73/181185873.db2.gz YURIHZDPHXKCNP-UHFFFAOYSA-N 0 0 309.312 3.603 50 0 DHAARN O=C1C[C@H](c2ccc(F)cc2)Cc2c1cnn2-c1ccccc1 ZINC000004992918 181186748 /nfs/dbraw/zinc/18/67/48/181186748.db2.gz OEZRUTXLWHEVML-CQSZACIVSA-N 0 0 306.340 3.924 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cccnc2)nc1 ZINC000075502030 191481338 /nfs/dbraw/zinc/48/13/38/191481338.db2.gz VNROUQYGCNFSRF-UHFFFAOYSA-N 0 0 323.783 3.727 50 0 DHAARN COc1cc2c[nH]nc2c(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000075566756 191491394 /nfs/dbraw/zinc/49/13/94/191491394.db2.gz KJDLXHJOXUHBPF-UHFFFAOYSA-N 0 0 319.723 3.616 50 0 DHAARN CCSc1ccccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000005032466 181193616 /nfs/dbraw/zinc/19/36/16/181193616.db2.gz ANQWPLHIYZYDCO-OAHLLOKOSA-N 0 0 315.394 3.577 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005034895 181194544 /nfs/dbraw/zinc/19/45/44/181194544.db2.gz VCQLBEJOQJZCNI-JTQLQIEISA-N 0 0 302.805 3.905 50 0 DHAARN C[C@H](c1ccncc1)N(C)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000076088243 191574861 /nfs/dbraw/zinc/57/48/61/191574861.db2.gz BEEKKKVSADWIBL-UONOGXRCSA-N 0 0 317.458 3.724 50 0 DHAARN Cc1cccc(OCc2ccc(C(=O)Nc3nccs3)o2)c1 ZINC000005032905 181194082 /nfs/dbraw/zinc/19/40/82/181194082.db2.gz KODIDVVRGZTXHN-UHFFFAOYSA-N 0 0 314.366 3.876 50 0 DHAARN Cc1cc(F)c(F)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005050906 181197185 /nfs/dbraw/zinc/19/71/85/181197185.db2.gz KDQDLUYIEMWXFM-UHFFFAOYSA-N 0 0 305.368 3.972 50 0 DHAARN CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000005062704 181199198 /nfs/dbraw/zinc/19/91/98/181199198.db2.gz OJUKBPPQHZXQTH-YOEHRIQHSA-N 0 0 317.429 3.743 50 0 DHAARN CC(C)(C)CC(=O)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000005077220 181201833 /nfs/dbraw/zinc/20/18/33/181201833.db2.gz WGZVTLUAFYNGKP-UHFFFAOYSA-N 0 0 315.442 3.994 50 0 DHAARN CCCCc1nc(-c2nccn2Cc2cc(C3CC3)on2)c[nH]1 ZINC000077388799 191706663 /nfs/dbraw/zinc/70/66/63/191706663.db2.gz VSADRXGEGWRTIZ-UHFFFAOYSA-N 0 0 311.389 3.530 50 0 DHAARN COc1ccccc1N1CCN(c2nc(C)cs2)CC1(C)C ZINC000077406119 191709408 /nfs/dbraw/zinc/70/94/08/191709408.db2.gz BAIUDKLRDLCCBG-UHFFFAOYSA-N 0 0 317.458 3.565 50 0 DHAARN CC[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccnn1C ZINC000077420239 191712262 /nfs/dbraw/zinc/71/22/62/191712262.db2.gz FCHMHKKEHGQYCA-OAHLLOKOSA-N 0 0 319.836 3.664 50 0 DHAARN COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)c(OC)c1 ZINC000005108937 181204591 /nfs/dbraw/zinc/20/45/91/181204591.db2.gz GQCAQQRJCNQQEN-UHFFFAOYSA-N 0 0 322.364 3.747 50 0 DHAARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000005127228 181207266 /nfs/dbraw/zinc/20/72/66/181207266.db2.gz LZQZDYAUMUMYHP-UHFFFAOYSA-N 0 0 316.372 3.768 50 0 DHAARN Cc1ccc2[nH]c3c(ncn(Cc4ccccc4Cl)c3=O)c2c1 ZINC000005152211 181210070 /nfs/dbraw/zinc/21/00/70/181210070.db2.gz LVWULPFQWBTKRO-UHFFFAOYSA-N 0 0 323.783 3.888 50 0 DHAARN CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1C ZINC000005156456 181211399 /nfs/dbraw/zinc/21/13/99/181211399.db2.gz VOTTZOIULYRFIW-UHFFFAOYSA-N 0 0 320.392 3.698 50 0 DHAARN O=C1COc2ccc(-c3csc(-c4ccccc4)n3)cc2N1 ZINC000005156744 181212056 /nfs/dbraw/zinc/21/20/56/181212056.db2.gz AAZGEBQRRAZIBF-UHFFFAOYSA-N 0 0 308.362 3.808 50 0 DHAARN COc1ccc(Cl)cc1C[S@](=O)Cc1csc(C)n1 ZINC000078556134 191885027 /nfs/dbraw/zinc/88/50/27/191885027.db2.gz ZEOJQBXCILXBIO-LJQANCHMSA-N 0 0 315.847 3.562 50 0 DHAARN Cc1ccccc1C(=O)OCc1cc2cccc(C)c2[nH]c1=O ZINC000005185249 181214602 /nfs/dbraw/zinc/21/46/02/181214602.db2.gz RMGMEKSOMLRXGK-UHFFFAOYSA-N 0 0 307.349 3.502 50 0 DHAARN Cc1ccc2cccc(OCC(=O)Nc3ccccc3F)c2n1 ZINC000005198677 181215794 /nfs/dbraw/zinc/21/57/94/181215794.db2.gz YUOCWPWACWLCSW-UHFFFAOYSA-N 0 0 310.328 3.700 50 0 DHAARN Cc1nc2c(-c3ccccc3)cnn2c(NC[C@@H]2CCCO2)c1C ZINC000005205773 181216247 /nfs/dbraw/zinc/21/62/47/181216247.db2.gz JEVFWBOPSPQKSV-INIZCTEOSA-N 0 0 322.412 3.604 50 0 DHAARN Cc1nc2ccc(NC(=O)N[C@@H](C)c3nccs3)cc2s1 ZINC000078602668 191893591 /nfs/dbraw/zinc/89/35/91/191893591.db2.gz XQTZDAUFDBPTLY-QMMMGPOBSA-N 0 0 318.427 3.944 50 0 DHAARN COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000005243396 181220368 /nfs/dbraw/zinc/22/03/68/181220368.db2.gz UALXLLIDPIUZNW-LLVKDONJSA-N 0 0 318.756 3.941 50 0 DHAARN CC[C@@](C)(CC(=O)NCc1ccco1)c1ccccc1OC ZINC000005245356 181221097 /nfs/dbraw/zinc/22/10/97/181221097.db2.gz RWQAEHMFJOBCSS-SFHVURJKSA-N 0 0 301.386 3.662 50 0 DHAARN CCOc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)nn1 ZINC000005259620 181223147 /nfs/dbraw/zinc/22/31/47/181223147.db2.gz FBUWPCWCEFGINA-UHFFFAOYSA-N 0 0 319.364 3.795 50 0 DHAARN CC(C)[C@H](NC(=O)c1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000005261939 181223772 /nfs/dbraw/zinc/22/37/72/181223772.db2.gz IPPXORMFQWPFPQ-INIZCTEOSA-N 0 0 311.360 3.829 50 0 DHAARN COc1cccc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)c1 ZINC000005371997 181235267 /nfs/dbraw/zinc/23/52/67/181235267.db2.gz FONLKENEEPEGEH-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccccc1F ZINC000005388424 181237738 /nfs/dbraw/zinc/23/77/38/181237738.db2.gz WXCPVGIKHRFVSV-UHFFFAOYSA-N 0 0 314.747 3.751 50 0 DHAARN Cc1ccccc1Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000005388520 181237876 /nfs/dbraw/zinc/23/78/76/181237876.db2.gz RHKOUFVVISFEEV-UHFFFAOYSA-N 0 0 310.784 3.920 50 0 DHAARN Cc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3)n2)cc1C ZINC000005410271 181239849 /nfs/dbraw/zinc/23/98/49/181239849.db2.gz SYSYGZLTZHXBBS-UHFFFAOYSA-N 0 0 304.393 3.884 50 0 DHAARN COc1ccc(-c2csc(-n3nc4c(c3C)CCC4)n2)cc1 ZINC000005274971 181225671 /nfs/dbraw/zinc/22/56/71/181225671.db2.gz DYMUETQWIPXGQJ-UHFFFAOYSA-N 0 0 311.410 3.802 50 0 DHAARN O=C(Nc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000005299978 181227710 /nfs/dbraw/zinc/22/77/10/181227710.db2.gz HAOUVJYYWOVJRF-UHFFFAOYSA-N 0 0 309.325 3.583 50 0 DHAARN C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)c1ccc(F)cc1 ZINC000005308539 181228397 /nfs/dbraw/zinc/22/83/97/181228397.db2.gz MDPZURNWAAOQJN-JTQLQIEISA-N 0 0 318.369 3.804 50 0 DHAARN COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000005305754 181228419 /nfs/dbraw/zinc/22/84/19/181228419.db2.gz GPSSPKHSWMRLNL-UHFFFAOYSA-N 0 0 321.376 3.836 50 0 DHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccn1 ZINC000005336490 181230723 /nfs/dbraw/zinc/23/07/23/181230723.db2.gz AAGFPRIRJRPWAH-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN CCCCNc1cc(C)nc2c(-c3ccccc3OC)cnn21 ZINC000005347754 181233368 /nfs/dbraw/zinc/23/33/68/181233368.db2.gz DCFIBQJYDXXNIM-UHFFFAOYSA-N 0 0 310.401 3.925 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1C ZINC000005440520 181243490 /nfs/dbraw/zinc/24/34/90/181243490.db2.gz SALIHAQMEWUHBE-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN Cc1ccc2c(CC(=O)NCCc3ccc(F)cc3)coc2c1 ZINC000005465792 181246943 /nfs/dbraw/zinc/24/69/43/181246943.db2.gz ULPPNGBXSWAPIQ-UHFFFAOYSA-N 0 0 311.356 3.782 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000005526736 181253899 /nfs/dbraw/zinc/25/38/99/181253899.db2.gz AYVBXESWHNCIDL-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN COc1ccccc1CNC(=O)N/C=C/c1ccccc1Cl ZINC000005527586 181253951 /nfs/dbraw/zinc/25/39/51/181253951.db2.gz XMBGRQDRUCDMRB-ZHACJKMWSA-N 0 0 316.788 3.819 50 0 DHAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccc(F)cc3)c2O1 ZINC000005558775 181257522 /nfs/dbraw/zinc/25/75/22/181257522.db2.gz AXZDXVVCWDUJCA-UHFFFAOYSA-N 0 0 315.344 3.557 50 0 DHAARN O=C(CSc1ccc2ccccc2n1)NCc1ccccc1 ZINC000005627409 181265655 /nfs/dbraw/zinc/26/56/55/181265655.db2.gz CJAPHIQVDLTRCO-UHFFFAOYSA-N 0 0 308.406 3.643 50 0 DHAARN COC(=O)c1c(C)oc2ccc(OCC(=O)C(C)(C)C)cc21 ZINC000000086285 563526106 /nfs/dbraw/zinc/52/61/06/563526106.db2.gz VUQLYZBELAYXHJ-UHFFFAOYSA-N 0 0 304.342 3.522 50 0 DHAARN COc1cc(C)c(NC(=O)c2ccc(F)cc2F)cc1OC ZINC000005616875 181264012 /nfs/dbraw/zinc/26/40/12/181264012.db2.gz JZBYQNHNKSFNTQ-UHFFFAOYSA-N 0 0 307.296 3.543 50 0 DHAARN COc1cc(C)c(NC(=O)CSc2ccccc2)cc1OC ZINC000005616569 181264146 /nfs/dbraw/zinc/26/41/46/181264146.db2.gz XLYGNEKOCTWBEO-UHFFFAOYSA-N 0 0 317.410 3.743 50 0 DHAARN Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000005637092 181266660 /nfs/dbraw/zinc/26/66/60/181266660.db2.gz XGZUTNPUVKLIBF-UHFFFAOYSA-N 0 0 317.772 3.601 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1cncc(Br)c1 ZINC000005658546 181268714 /nfs/dbraw/zinc/26/87/14/181268714.db2.gz MRDSWSCIHQEEGJ-UHFFFAOYSA-N 0 0 319.202 3.967 50 0 DHAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Br)o1 ZINC000005670824 181270049 /nfs/dbraw/zinc/27/00/49/181270049.db2.gz OYHKSYYSVFXGCQ-UHFFFAOYSA-N 0 0 302.074 3.573 50 0 DHAARN COc1ccccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005676460 181270819 /nfs/dbraw/zinc/27/08/19/181270819.db2.gz KVPRHLDYUVRHBP-UHFFFAOYSA-N 0 0 300.402 3.786 50 0 in-vivo DHAARN Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000005704054 181274792 /nfs/dbraw/zinc/27/47/92/181274792.db2.gz YBNIVWGKQFFNFO-LLVKDONJSA-N 0 0 312.394 3.680 50 0 DHAARN COCc1cc(=O)n2nc(-c3ccc(Cl)c(Cl)c3)cc2[nH]1 ZINC000005701589 181273981 /nfs/dbraw/zinc/27/39/81/181273981.db2.gz CJKFECMEGNPCJT-UHFFFAOYSA-N 0 0 324.167 3.555 50 0 DHAARN Clc1ccc(Cl)c(SCCSc2nc[nH]n2)c1 ZINC000005737315 181278669 /nfs/dbraw/zinc/27/86/69/181278669.db2.gz YKOMCEPBAYEOHC-UHFFFAOYSA-N 0 0 306.243 3.996 50 0 DHAARN O=C(C[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)OCCF ZINC000005739665 181279126 /nfs/dbraw/zinc/27/91/26/181279126.db2.gz KMDRRNMWZJYKSS-NSHDSACASA-N 0 0 303.255 3.717 50 0 DHAARN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)c1ccc(O)cc1 ZINC000005728890 181277818 /nfs/dbraw/zinc/27/78/18/181277818.db2.gz FTGKIPZLZASNQK-UHFFFAOYSA-N 0 0 320.320 3.522 50 0 DHAARN O=C(Nc1ccccc1)N1CCN(C2CC2)C[C@H]1c1ccccc1 ZINC000085472658 192512059 /nfs/dbraw/zinc/51/20/59/192512059.db2.gz MUYRVJSZJIGAKW-IBGZPJMESA-N 0 0 321.424 3.740 50 0 DHAARN Clc1ccccc1-c1nnc(SCCCn2ccnc2)o1 ZINC000180437309 199159570 /nfs/dbraw/zinc/15/95/70/199159570.db2.gz ZQHQPTICNBNVFS-UHFFFAOYSA-N 0 0 320.805 3.769 50 0 DHAARN COc1cc(C=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005915978 181295755 /nfs/dbraw/zinc/29/57/55/181295755.db2.gz WXYHWHMISRNSTB-UHFFFAOYSA-N 0 0 314.381 3.630 50 0 DHAARN FC(F)(F)c1ccccc1N1C(=S)N=NC1c1ccncc1 ZINC000005927285 181297068 /nfs/dbraw/zinc/29/70/68/181297068.db2.gz BCDWBJGZUVTRGB-UHFFFAOYSA-N 0 0 322.315 3.637 50 0 DHAARN Cc1ccc(NC(=O)Nc2cnn(C)c2C(F)F)cc1Cl ZINC000089643353 192833625 /nfs/dbraw/zinc/83/36/25/192833625.db2.gz NARDIIKUXCJDOH-UHFFFAOYSA-N 0 0 314.723 3.964 50 0 DHAARN CC(=O)c1cc(C(=O)O[C@@H](CC(C)C)c2ccccn2)n(C)c1 ZINC000089821050 192878903 /nfs/dbraw/zinc/87/89/03/192878903.db2.gz RXPTWPHDBXNOCP-KRWDZBQOSA-N 0 0 314.385 3.567 50 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CCN(C(=O)Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1 ZINC000009704855 181637692 /nfs/dbraw/zinc/63/76/92/181637692.db2.gz PMRUVVPVJNMBIL-UHFFFAOYSA-N 0 0 321.376 3.697 50 0 DHAARN C[C@H]1Sc2ccc(C(=O)Nc3ccc(F)cc3)cc2NC1=O ZINC000009885406 181645707 /nfs/dbraw/zinc/64/57/07/181645707.db2.gz HWOLGPDSVKFSCQ-SECBINFHSA-N 0 0 316.357 3.511 50 0 DHAARN Cc1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000009970587 181650419 /nfs/dbraw/zinc/65/04/19/181650419.db2.gz UTJOZSYVXPWJPA-UXBLZVDNSA-N 0 0 305.333 3.753 50 0 DHAARN Cc1csc(NC(=O)CCc2ncc(-c3ccccc3)o2)n1 ZINC000011374366 181690200 /nfs/dbraw/zinc/69/02/00/181690200.db2.gz FHOMTRLYXGPBCI-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1Cl ZINC000010641887 181676081 /nfs/dbraw/zinc/67/60/81/181676081.db2.gz HSXOOZYWWBWRIB-ZDUSSCGKSA-N 0 0 314.772 3.713 50 0 DHAARN O=C(Nc1nnc(CSc2ccccc2)o1)c1ccccc1 ZINC000010689649 181677227 /nfs/dbraw/zinc/67/72/27/181677227.db2.gz DPQDEXQKEXXZBY-UHFFFAOYSA-N 0 0 311.366 3.614 50 0 DHAARN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000010135144 181658327 /nfs/dbraw/zinc/65/83/27/181658327.db2.gz RNCYXMFCFOXIRW-UHFFFAOYSA-N 0 0 313.445 3.906 50 0 DHAARN O=C(c1ccc2ccccc2n1)N1CCC[C@H](C(F)(F)F)C1 ZINC000010286834 181664257 /nfs/dbraw/zinc/66/42/57/181664257.db2.gz KJDTWGGCPPLOIM-LBPRGKRZSA-N 0 0 308.303 3.649 50 0 DHAARN CCCCCn1c2ccccc2nc1SCC(=O)NC(C)C ZINC000011487842 181691863 /nfs/dbraw/zinc/69/18/63/181691863.db2.gz SPBXLSWSFFXVCG-UHFFFAOYSA-N 0 0 319.474 3.843 50 0 DHAARN Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3O)o2)cc1 ZINC000011679563 181698606 /nfs/dbraw/zinc/69/86/06/181698606.db2.gz NEZLZVOCWQARPV-UHFFFAOYSA-N 0 0 322.364 3.927 50 0 DHAARN Nc1cccc(-c2cc3c(ncnc3Oc3cccc(O)c3)[nH]2)c1 ZINC000011757505 181704452 /nfs/dbraw/zinc/70/44/52/181704452.db2.gz VPVLEBIVXZSOMQ-UHFFFAOYSA-N 0 0 318.336 3.705 50 0 in-vivo DHAARN COCCN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1C ZINC000011816272 181707764 /nfs/dbraw/zinc/70/77/64/181707764.db2.gz QHFGRKFYKWAUQW-LJQANCHMSA-N 0 0 311.425 3.622 50 0 DHAARN COc1ccc(CC[C@@H]2CCCN(C(=O)CCSC)C2)cc1 ZINC000011842537 181710608 /nfs/dbraw/zinc/71/06/08/181710608.db2.gz YMFMKKAEQASLIS-INIZCTEOSA-N 0 0 321.486 3.620 50 0 DHAARN CC(C)(C)NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000012138447 181731374 /nfs/dbraw/zinc/73/13/74/181731374.db2.gz NUWSXAJFLSYNIO-UHFFFAOYSA-N 0 0 302.418 3.734 50 0 DHAARN O=C(Nc1ccc(OCCc2ccccc2)cc1)c1cccnc1 ZINC000012137779 181731435 /nfs/dbraw/zinc/73/14/35/181731435.db2.gz PLKZUMCLBWRJGQ-UHFFFAOYSA-N 0 0 318.376 3.955 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000012138847 181732155 /nfs/dbraw/zinc/73/21/55/181732155.db2.gz CBWOZEGFFZAGTM-CYBMUJFWSA-N 0 0 317.433 3.669 50 0 DHAARN CSCc1csc(NC(=O)CCCc2ccccc2)n1 ZINC000012287093 181745261 /nfs/dbraw/zinc/74/52/61/181745261.db2.gz RKCUENJQHWYUDW-UHFFFAOYSA-N 0 0 306.456 3.968 50 0 DHAARN Cc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012028023 181724568 /nfs/dbraw/zinc/72/45/68/181724568.db2.gz RFRPQUIJQUYWPI-KRWDZBQOSA-N 0 0 312.388 3.851 50 0 DHAARN COc1cccc(CC[C@@H]2CCCN(C(=O)c3ccccn3)C2)c1 ZINC000012049303 181725224 /nfs/dbraw/zinc/72/52/24/181725224.db2.gz GKKOMLKZNPDPSX-KRWDZBQOSA-N 0 0 324.424 3.575 50 0 DHAARN Cc1ncoc1C(=O)N1CCC[C@H](CCc2ccccc2C)C1 ZINC000012053844 181725871 /nfs/dbraw/zinc/72/58/71/181725871.db2.gz FSOOKIRSJKUPIK-MRXNPFEDSA-N 0 0 312.413 3.776 50 0 DHAARN COc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1 ZINC000012476039 181766258 /nfs/dbraw/zinc/76/62/58/181766258.db2.gz SGWUFYKTXJKGDW-UHFFFAOYSA-N 0 0 321.336 3.878 50 0 DHAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ncccc3O)ccc2c1 ZINC000012527015 181770464 /nfs/dbraw/zinc/77/04/64/181770464.db2.gz YJBBDEQQPPTNHS-GFCCVEGCSA-N 0 0 322.364 3.691 50 0 DHAARN CCc1ccc(-n2nc(C)c3c2[nH]c(=O)cc3C(F)(F)F)cc1 ZINC000012413466 181758776 /nfs/dbraw/zinc/75/87/76/181758776.db2.gz LSNYYSPRZHXAKT-UHFFFAOYSA-N 0 0 321.302 3.603 50 0 DHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@H](C)C1 ZINC000012552805 181775485 /nfs/dbraw/zinc/77/54/85/181775485.db2.gz OSMFGEXFFFJHDF-LBPRGKRZSA-N 0 0 315.392 3.500 50 0 DHAARN Cc1ccc(NC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1 ZINC000012652537 181785722 /nfs/dbraw/zinc/78/57/22/181785722.db2.gz MCNXOFSIOYVWLS-UHFFFAOYSA-N 0 0 324.384 3.584 50 0 DHAARN COc1ccc(C=CC(=O)Nc2ccc(C(C)=O)cc2)cc1F ZINC000012772209 181796234 /nfs/dbraw/zinc/79/62/34/181796234.db2.gz XFVPIVVIGMYECK-ONNFQVAWSA-N 0 0 313.328 3.689 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012794297 181798286 /nfs/dbraw/zinc/79/82/86/181798286.db2.gz DODCRNVJKYZGLM-CYBMUJFWSA-N 0 0 318.735 3.544 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000012821749 181802197 /nfs/dbraw/zinc/80/21/97/181802197.db2.gz ONAUOLXXSCWYNK-FNORWQNLSA-N 0 0 324.211 3.996 50 0 DHAARN Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000012914567 181811263 /nfs/dbraw/zinc/81/12/63/181811263.db2.gz FBRBZOGIOVPHEL-OAHLLOKOSA-N 0 0 319.451 3.510 50 0 DHAARN Nc1nnc(SCc2csc(Nc3ccccc3)n2)s1 ZINC000013135357 181832025 /nfs/dbraw/zinc/83/20/25/181832025.db2.gz MKQQTPXPHAYVCY-UHFFFAOYSA-N 0 0 321.456 3.613 50 0 DHAARN CCOc1ccccc1NC(=S)NCCc1ccccc1 ZINC000013518550 181857226 /nfs/dbraw/zinc/85/72/26/181857226.db2.gz VPNZARCIIOKJSN-UHFFFAOYSA-N 0 0 300.427 3.614 50 0 DHAARN C[C@H](NC(=O)c1ccccc1CO)C12CC3CC(CC(C3)C1)C2 ZINC000013943907 181913343 /nfs/dbraw/zinc/91/33/43/181913343.db2.gz JNNUKQDIUSDMGX-IVKJLDKCSA-N 0 0 313.441 3.514 50 0 DHAARN Cc1ccc(CNS(=O)(=O)c2cc(C)c(Cl)cc2C)cc1 ZINC000013937899 181912351 /nfs/dbraw/zinc/91/23/51/181912351.db2.gz SEJCOLNVDRFAAI-UHFFFAOYSA-N 0 0 323.845 3.744 50 0 DHAARN CCNC(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1 ZINC000014095575 181924827 /nfs/dbraw/zinc/92/48/27/181924827.db2.gz QFTQPHDLWKODTQ-UHFFFAOYSA-N 0 0 324.405 3.903 50 0 DHAARN COc1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000014140071 181929036 /nfs/dbraw/zinc/92/90/36/181929036.db2.gz WCLHQCSOAUPYGV-VAWYXSNFSA-N 0 0 319.364 3.533 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1 ZINC000014138533 181929136 /nfs/dbraw/zinc/92/91/36/181929136.db2.gz SBIAHCBOIYGQRB-UHFFFAOYSA-N 0 0 320.396 3.811 50 0 DHAARN CCc1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000014183798 181933591 /nfs/dbraw/zinc/93/35/91/181933591.db2.gz RLHPSTUQGBTDMP-UHFFFAOYSA-N 0 0 311.381 3.592 50 0 DHAARN CCc1oc2ccccc2c1/C=C/C(=O)Nc1nnc(C)s1 ZINC000014186099 181934255 /nfs/dbraw/zinc/93/42/55/181934255.db2.gz QXFLBNISHKRCJR-CMDGGOBGSA-N 0 0 313.382 3.807 50 0 DHAARN Cc1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 ZINC000014378181 181949762 /nfs/dbraw/zinc/94/97/62/181949762.db2.gz OGVNWIPNZFOTJF-UHFFFAOYSA-N 0 0 309.287 3.692 50 0 DHAARN CN(C)c1cccc(C(=O)Oc2ccccc2Br)c1 ZINC000014393487 181950387 /nfs/dbraw/zinc/95/03/87/181950387.db2.gz GVIHNBOLZVYMTN-UHFFFAOYSA-N 0 0 320.186 3.734 50 0 DHAARN COc1ccc(CC(=O)N2CCCSc3ccccc32)cc1 ZINC000014252048 181944493 /nfs/dbraw/zinc/94/44/93/181944493.db2.gz VMTWVEILOJVNAN-UHFFFAOYSA-N 0 0 313.422 3.767 50 0 DHAARN CCCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000014492055 181955854 /nfs/dbraw/zinc/95/58/54/181955854.db2.gz KRHNKMPEWKSBIH-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN O=C(/C=C/c1ccc(Cl)s1)NCCc1ccccc1F ZINC000014494842 181956132 /nfs/dbraw/zinc/95/61/32/181956132.db2.gz CDBMQDNKDMVJBX-SOFGYWHQSA-N 0 0 309.793 3.913 50 0 DHAARN Cc1cc(CNC(=O)N[C@@H](C)CCc2ccccc2)ccc1F ZINC000014706752 181966702 /nfs/dbraw/zinc/96/67/02/181966702.db2.gz MSLDRHPGNFKCPY-HNNXBMFYSA-N 0 0 314.404 3.955 50 0 DHAARN COc1cccc(NC(=O)CSCc2cccc(F)c2F)c1 ZINC000015497108 182004711 /nfs/dbraw/zinc/00/47/11/182004711.db2.gz DHOVABVQPILCLJ-UHFFFAOYSA-N 0 0 323.364 3.845 50 0 DHAARN CC[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 ZINC000015539565 182006139 /nfs/dbraw/zinc/00/61/39/182006139.db2.gz XMAKRJNLWITEOG-CQSZACIVSA-N 0 0 321.376 3.717 50 0 DHAARN O=C(NCCC1=CCCCC1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000015536042 182006160 /nfs/dbraw/zinc/00/61/60/182006160.db2.gz JHMJQEQCWHRKBG-MRXNPFEDSA-N 0 0 305.805 3.650 50 0 DHAARN O=C(Nc1cccnc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000015436221 182002341 /nfs/dbraw/zinc/00/23/41/182002341.db2.gz WUCFTBRVBMQIDI-UHFFFAOYSA-N 0 0 302.333 3.565 50 0 DHAARN COc1cc(CCC(=O)Nc2ccc(C)cc2F)cc(OC)c1 ZINC000015603169 182008760 /nfs/dbraw/zinc/00/87/60/182008760.db2.gz LCSIRSIFMJAHDG-UHFFFAOYSA-N 0 0 317.360 3.723 50 0 DHAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)NCc1ccc(C)cc1 ZINC000015671754 182011281 /nfs/dbraw/zinc/01/12/81/182011281.db2.gz SDWQLKDKHZOWEY-KRWDZBQOSA-N 0 0 311.429 3.781 50 0 DHAARN Cc1nn([C@@H](C)C(=O)NCCC2=CCCCC2)c2ccccc12 ZINC000015671615 182011296 /nfs/dbraw/zinc/01/12/96/182011296.db2.gz QCWSLQJULRPVGG-HNNXBMFYSA-N 0 0 311.429 3.912 50 0 DHAARN O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832092 182019889 /nfs/dbraw/zinc/01/98/89/182019889.db2.gz YDHXPAGHLLTBAD-UHFFFAOYSA-N 0 0 320.392 3.777 50 0 DHAARN COc1cc(Cl)cc2c1OC=CC(C(=O)NC1CCCC1)=C2 ZINC000015838694 182021035 /nfs/dbraw/zinc/02/10/35/182021035.db2.gz NVZBGPMQXMSYIJ-UHFFFAOYSA-N 0 0 319.788 3.697 50 0 DHAARN COc1ccc(NC(=O)COc2ccccc2C)c2cccnc12 ZINC000015840607 182021153 /nfs/dbraw/zinc/02/11/53/182021153.db2.gz KODGLQNVYVYPBK-UHFFFAOYSA-N 0 0 322.364 3.569 50 0 DHAARN Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2cccnc2)cc1 ZINC000015839727 182021181 /nfs/dbraw/zinc/02/11/81/182021181.db2.gz YLRISCFCWGCKCW-OAQYLSRUSA-N 0 0 316.404 3.838 50 0 DHAARN COc1cccc(CNC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000015837699 182021254 /nfs/dbraw/zinc/02/12/54/182021254.db2.gz PRVGZSDRSIGXHS-OAHLLOKOSA-N 0 0 316.426 3.803 50 0 DHAARN COc1ccc2cc3c(nc2c1)N(C(=O)c1cccc(F)c1)CC3 ZINC000015842121 182021869 /nfs/dbraw/zinc/02/18/69/182021869.db2.gz MYBOFLGKARYJOI-UHFFFAOYSA-N 0 0 322.339 3.585 50 0 DHAARN COc1cccc(C(=O)N2CCc3cc4cccc(C)c4nc32)c1 ZINC000015842014 182021906 /nfs/dbraw/zinc/02/19/06/182021906.db2.gz JKQZGZJQACWDHJ-UHFFFAOYSA-N 0 0 318.376 3.755 50 0 DHAARN Cc1ccc([C@H](CNC(=O)c2cccs2)N2CCCCC2)o1 ZINC000015860180 182022546 /nfs/dbraw/zinc/02/25/46/182022546.db2.gz POFNJUGHZMPJOP-AWEZNQCLSA-N 0 0 318.442 3.607 50 0 DHAARN Cc1cccc(-c2ocnc2C(=O)NCCc2ccccc2C)c1 ZINC000015782282 182016791 /nfs/dbraw/zinc/01/67/91/182016791.db2.gz QIUBUIDOVPTWEP-UHFFFAOYSA-N 0 0 320.392 3.931 50 0 DHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1 ZINC000015991857 182028222 /nfs/dbraw/zinc/02/82/22/182028222.db2.gz VRFNKUCFJNQWQG-UHFFFAOYSA-N 0 0 317.414 3.753 50 0 DHAARN CC(C)(C)[C@@H](O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000282863035 217286156 /nfs/dbraw/zinc/28/61/56/217286156.db2.gz BNZYMUMWBHGIMF-NSHDSACASA-N 0 0 312.822 3.889 50 0 DHAARN COc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)c(OC)c1 ZINC000016017701 182029030 /nfs/dbraw/zinc/02/90/30/182029030.db2.gz MENBJWXFEUBORI-LLVKDONJSA-N 0 0 319.788 3.848 50 0 DHAARN CSc1nc2ccccc2n1CC(=O)N(C)C1CCCCC1 ZINC000016035321 182030555 /nfs/dbraw/zinc/03/05/55/182030555.db2.gz BORMPNQYYLOYND-UHFFFAOYSA-N 0 0 317.458 3.549 50 0 DHAARN S=C(NCc1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000015940935 182026109 /nfs/dbraw/zinc/02/61/09/182026109.db2.gz XZJBTVHABBDODG-HNNXBMFYSA-N 0 0 314.479 3.888 50 0 DHAARN O=S(=O)(Nc1ccc(Cl)cc1F)c1cc(F)cc(F)c1 ZINC000016130023 182035033 /nfs/dbraw/zinc/03/50/33/182035033.db2.gz GDZLICNSWVPADJ-UHFFFAOYSA-N 0 0 321.707 3.558 50 0 DHAARN Cc1cc(Br)ccc1OCCCCn1ccnc1 ZINC000016193244 182036482 /nfs/dbraw/zinc/03/64/82/182036482.db2.gz GYTHDPFSGYAKNA-UHFFFAOYSA-N 0 0 309.207 3.813 50 0 DHAARN Cc1nnc2c3ccccc3nc(Nc3ccc(F)cc3F)n12 ZINC000016363476 182041962 /nfs/dbraw/zinc/04/19/62/182041962.db2.gz YJOUSRBUZVAHKN-UHFFFAOYSA-N 0 0 311.295 3.608 50 0 DHAARN Cc1cc(NC(=O)C(C)(C)Oc2ccccc2C(C)C)no1 ZINC000016602266 182051642 /nfs/dbraw/zinc/05/16/42/182051642.db2.gz NSJUHOOWRCNOCJ-UHFFFAOYSA-N 0 0 302.374 3.903 50 0 DHAARN O=C(CCC1CCCC1)Nc1nnc(-c2cccnc2)s1 ZINC000016603053 182051986 /nfs/dbraw/zinc/05/19/86/182051986.db2.gz KXJDFDDCWUSDKO-UHFFFAOYSA-N 0 0 302.403 3.509 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C ZINC000016605264 182053400 /nfs/dbraw/zinc/05/34/00/182053400.db2.gz GFFXDPGMJSXOER-GFCCVEGCSA-N 0 0 304.777 3.758 50 0 DHAARN CCCc1oc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCCO1 ZINC000016625348 182054117 /nfs/dbraw/zinc/05/41/17/182054117.db2.gz SCDUIKOCNOZENR-HNNXBMFYSA-N 0 0 313.397 3.808 50 0 DHAARN c1[nH]c2ccccc2c1-c1nnnn1-c1ccc2ccccc2c1 ZINC000016545891 182048852 /nfs/dbraw/zinc/04/88/52/182048852.db2.gz FQOOEFBDKUYGRH-UHFFFAOYSA-N 0 0 311.348 3.964 50 0 DHAARN Cc1ccc2[nH]c3c(ncn([C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000016841715 182061527 /nfs/dbraw/zinc/06/15/27/182061527.db2.gz ZWJSORQVIWJPOF-ZDUSSCGKSA-N 0 0 303.365 3.796 50 0 DHAARN CC(C)c1ccccc1OC[C@H](O)CSc1ccccn1 ZINC000016839863 182061655 /nfs/dbraw/zinc/06/16/55/182061655.db2.gz UMPNCNJQUPFLTJ-AWEZNQCLSA-N 0 0 303.427 3.737 50 0 DHAARN CC1CCN(C(=O)Cc2csc(Nc3ccccc3)n2)CC1 ZINC000016850057 182061886 /nfs/dbraw/zinc/06/18/86/182061886.db2.gz VLKBKISHKOWRMF-UHFFFAOYSA-N 0 0 315.442 3.688 50 0 DHAARN Cc1nc(Nc2ccccc2)[nH]c(=O)c1CCc1ccccc1 ZINC000016648244 182055231 /nfs/dbraw/zinc/05/52/31/182055231.db2.gz UIULQXDJITYWSS-UHFFFAOYSA-N 0 0 305.381 3.607 50 0 DHAARN COc1ccc(NC(=O)N(C2=NCCC2)c2ccccc2)cc1 ZINC000016689862 182057234 /nfs/dbraw/zinc/05/72/34/182057234.db2.gz LLDJUMUDRDFTMC-UHFFFAOYSA-N 0 0 309.369 3.926 50 0 DHAARN CCCc1cc(C2N=NC(=S)N2Cc2ccco2)cs1 ZINC000017031230 182069290 /nfs/dbraw/zinc/06/92/90/182069290.db2.gz SCGCQVZDAPHQEM-UHFFFAOYSA-N 0 0 305.428 3.889 50 0 DHAARN Cc1nc2cc(Nc3nnc(C)c4ccccc43)ccc2n1C ZINC000017138606 182077271 /nfs/dbraw/zinc/07/72/71/182077271.db2.gz MVKGCDPKVZUPGT-UHFFFAOYSA-N 0 0 303.369 3.877 50 0 DHAARN Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000017056825 182073918 /nfs/dbraw/zinc/07/39/18/182073918.db2.gz YXGSNHUYIDLZHK-UHFFFAOYSA-N 0 0 324.163 3.615 50 0 DHAARN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000017068720 182075084 /nfs/dbraw/zinc/07/50/84/182075084.db2.gz YYGPYKSYKYAOBP-NSHDSACASA-N 0 0 320.339 3.534 50 0 DHAARN O=Cc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000017111206 182075968 /nfs/dbraw/zinc/07/59/68/182075968.db2.gz GHBZCTMAQQRLKD-XNTDXEJSSA-N 0 0 309.346 3.740 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3NCCC(C)C)cc1C ZINC000017120396 182076021 /nfs/dbraw/zinc/07/60/21/182076021.db2.gz MFVGGTAAKLNXFO-UHFFFAOYSA-N 0 0 309.417 3.890 50 0 DHAARN Cc1ccc2nc3sc(Nc4ccccc4C)nn3c(=O)c2c1 ZINC000017121844 182076522 /nfs/dbraw/zinc/07/65/22/182076522.db2.gz BWXCSIJTTIXUOL-UHFFFAOYSA-N 0 0 322.393 3.665 50 0 DHAARN COc1ccccc1CCNC(=O)c1cccc(Cl)c1Cl ZINC000017845471 182087105 /nfs/dbraw/zinc/08/71/05/182087105.db2.gz YEDYAZLVDFMCJI-UHFFFAOYSA-N 0 0 324.207 3.975 50 0 DHAARN CC[C@H](C)Nc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000017268795 182080960 /nfs/dbraw/zinc/08/09/60/182080960.db2.gz OHCRWPOCZOYTED-JTQLQIEISA-N 0 0 301.781 3.679 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cc1 ZINC000017907978 182087609 /nfs/dbraw/zinc/08/76/09/182087609.db2.gz OCGSVNBYJZYIME-LLVKDONJSA-N 0 0 316.788 3.789 50 0 DHAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000018140739 182094722 /nfs/dbraw/zinc/09/47/22/182094722.db2.gz PXDFAZCIQQJFGA-QZTJIDSGSA-N 0 0 319.360 3.935 50 0 DHAARN O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000018058640 182091187 /nfs/dbraw/zinc/09/11/87/182091187.db2.gz SMDZYQJWXPSKRL-ZTFGCOKTSA-N 0 0 323.367 3.899 50 0 DHAARN COc1ccccc1NC(=O)NCCc1ccc(Cl)cc1 ZINC000018177219 182096601 /nfs/dbraw/zinc/09/66/01/182096601.db2.gz BGUYNOKZOZIWPM-UHFFFAOYSA-N 0 0 304.777 3.713 50 0 DHAARN CC(C)Oc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1 ZINC000019322366 182115358 /nfs/dbraw/zinc/11/53/58/182115358.db2.gz UKMSPUNRBGVRKA-UHFFFAOYSA-N 0 0 300.446 3.520 50 0 biogenic DHAARN COc1c(Br)cc(Cl)cc1Br ZINC000019432874 182123314 /nfs/dbraw/zinc/12/33/14/182123314.db2.gz WHRDPXDGAMJNGH-UHFFFAOYSA-N 0 0 300.377 3.874 50 0 DHAARN Fc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019781961 182148400 /nfs/dbraw/zinc/14/84/00/182148400.db2.gz HBQXXSPZHUMUJK-UHFFFAOYSA-N 0 0 318.823 3.797 50 0 DHAARN CCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736509 182140548 /nfs/dbraw/zinc/14/05/48/182140548.db2.gz PVJBEJYGDOYERB-UHFFFAOYSA-N 0 0 304.777 3.963 50 0 DHAARN CC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2F)cc1 ZINC000019736623 182140810 /nfs/dbraw/zinc/14/08/10/182140810.db2.gz SBZDTCNOPYLLFD-UHFFFAOYSA-N 0 0 316.376 3.723 50 0 DHAARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1F ZINC000019736609 182140965 /nfs/dbraw/zinc/14/09/65/182140965.db2.gz NJSYQCQFTIKVCT-INIZCTEOSA-N 0 0 302.349 3.512 50 0 DHAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccncc1 ZINC000019910118 182163664 /nfs/dbraw/zinc/16/36/64/182163664.db2.gz QQFGZFWGIRIAHD-LJQANCHMSA-N 0 0 302.377 3.795 50 0 DHAARN Cc1ccc(C)c(OS(=O)(=O)c2ccc(C)c(C)c2C)c1 ZINC000019943600 182168913 /nfs/dbraw/zinc/16/89/13/182168913.db2.gz FBWGLFIBNADDJH-UHFFFAOYSA-N 0 0 304.411 3.996 50 0 DHAARN O=C(NCc1ccccc1)c1cccnc1NCc1ccccc1 ZINC000019973463 182172469 /nfs/dbraw/zinc/17/24/69/182172469.db2.gz KSYAEQZNMORJJB-UHFFFAOYSA-N 0 0 317.392 3.624 50 0 DHAARN Cc1ccc(OCC(=O)Nc2ccnn2C2CCCC2)cc1C ZINC000020011731 182177803 /nfs/dbraw/zinc/17/78/03/182177803.db2.gz QUMTUQUKIWETDG-UHFFFAOYSA-N 0 0 313.401 3.633 50 0 DHAARN CC(C)(C)c1cc(Cl)ccc1OCCCN1CCOCC1 ZINC000020118018 182188482 /nfs/dbraw/zinc/18/84/82/182188482.db2.gz DVSRYOZVHFYRKF-UHFFFAOYSA-N 0 0 311.853 3.739 50 0 DHAARN COc1ccc(CNC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020248728 182200013 /nfs/dbraw/zinc/20/00/13/182200013.db2.gz GLJZQWATNQCPLP-UHFFFAOYSA-N 0 0 308.740 3.809 50 0 DHAARN Cc1nc(NC(=O)[C@H](C)Nc2ccc(C)c(C)c2)sc1C ZINC000020402795 182214961 /nfs/dbraw/zinc/21/49/61/182214961.db2.gz VKAOZGQDEOLFQQ-LBPRGKRZSA-N 0 0 303.431 3.816 50 0 DHAARN Cc1cc(OCC(=O)Nc2ccc3n[nH]cc3c2)ccc1Cl ZINC000020352455 182210194 /nfs/dbraw/zinc/21/01/94/182210194.db2.gz YQBIULQWKITYPO-UHFFFAOYSA-N 0 0 315.760 3.542 50 0 DHAARN CCCC(=O)n1nc(-c2ccco2)nc1NCc1ccccc1 ZINC000020444173 182218218 /nfs/dbraw/zinc/21/82/18/182218218.db2.gz TYKZESAVBGKTCQ-UHFFFAOYSA-N 0 0 310.357 3.591 50 0 DHAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCCC1 ZINC000020557574 182231806 /nfs/dbraw/zinc/23/18/06/182231806.db2.gz KUOYHGIEHBGKDH-UHFFFAOYSA-N 0 0 305.468 3.837 50 0 DHAARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)NCC2 ZINC000020494237 182224165 /nfs/dbraw/zinc/22/41/65/182224165.db2.gz ZYOYWVGCPUFRIB-QGZVFWFLSA-N 0 0 321.779 3.731 50 0 DHAARN Cc1ccc(-c2c(=O)c(=O)c2N[C@@H]2CCC[C@H](C)[C@H]2C)cc1C ZINC000020509565 182225935 /nfs/dbraw/zinc/22/59/35/182225935.db2.gz RLWHHOSKOOVOKS-JGGQBBKZSA-N 0 0 311.425 3.803 50 0 DHAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020733816 182244875 /nfs/dbraw/zinc/24/48/75/182244875.db2.gz GNXKVWAKDKEQPL-BWACUDIHSA-N 0 0 300.402 3.580 50 0 DHAARN Brc1ccc(-c2nnc(-c3ccccn3)o2)cc1 ZINC000020717213 182243701 /nfs/dbraw/zinc/24/37/01/182243701.db2.gz ORSUOGSWJBBHJU-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN O=C(Nc1ccncc1)c1ccc2nc(C(F)(F)F)sc2c1 ZINC000020728622 182244451 /nfs/dbraw/zinc/24/44/51/182244451.db2.gz IMAKUHGCIULROH-UHFFFAOYSA-N 0 0 323.299 3.962 50 0 DHAARN Cc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1C ZINC000020899444 182252915 /nfs/dbraw/zinc/25/29/15/182252915.db2.gz PFUBXZFZQOCQMW-UHFFFAOYSA-N 0 0 311.316 3.745 50 0 DHAARN COc1ccc(-c2ccc3c(n2)[nH]n(-c2ccccc2)c3=O)cc1 ZINC000020733152 182245142 /nfs/dbraw/zinc/24/51/42/182245142.db2.gz DPBOGGYUTDAFKD-UHFFFAOYSA-N 0 0 317.348 3.802 50 0 DHAARN O=C(Nc1ccc(F)cc1Cl)c1ccc2cccc(O)c2n1 ZINC000020858575 182249244 /nfs/dbraw/zinc/24/92/44/182249244.db2.gz SPDVJBFYRDHBLA-UHFFFAOYSA-N 0 0 316.719 3.985 50 0 DHAARN COc1ccccc1NC(=O)c1nc2ccccc2nc1Cl ZINC000020854091 182249251 /nfs/dbraw/zinc/24/92/51/182249251.db2.gz YUIQJHAHRNNZAW-UHFFFAOYSA-N 0 0 313.744 3.544 50 0 DHAARN O=C(Nc1ccccc1F)c1nc2ccccc2nc1Cl ZINC000020854153 182249339 /nfs/dbraw/zinc/24/93/39/182249339.db2.gz NMYREQOGCVGPDY-UHFFFAOYSA-N 0 0 301.708 3.675 50 0 DHAARN C[C@@H]1CCCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000020851196 182249383 /nfs/dbraw/zinc/24/93/83/182249383.db2.gz NPCRREBSZMEPIN-OLZOCXBDSA-N 0 0 304.434 3.840 50 0 DHAARN Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000020897316 182252278 /nfs/dbraw/zinc/25/22/78/182252278.db2.gz LIPAOLLLXHMOMR-LBPRGKRZSA-N 0 0 316.426 3.594 50 0 DHAARN O=C(C[C@H](c1ccc(F)cc1)n1cccc1)Nc1ccccn1 ZINC000020997782 182257915 /nfs/dbraw/zinc/25/79/15/182257915.db2.gz ANVGOXKPKRHGDT-MRXNPFEDSA-N 0 0 309.344 3.640 50 0 DHAARN C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1Cl ZINC000021473675 182274186 /nfs/dbraw/zinc/27/41/86/182274186.db2.gz IOZLNZNWBCDMQO-SNVBAGLBSA-N 0 0 313.781 3.519 50 0 DHAARN O=C1/C(=C/c2c(O)ccc3ccccc32)N=C2CCCCCN12 ZINC000021487146 182274808 /nfs/dbraw/zinc/27/48/08/182274808.db2.gz NBOPCHRUQZRXAN-VBKFSLOCSA-N 0 0 306.365 3.701 50 0 DHAARN CCC[C@@H](NC(=O)[C@@H](C)Sc1nncs1)c1ccccc1 ZINC000021334961 182271819 /nfs/dbraw/zinc/27/18/19/182271819.db2.gz ITNNZWBKWGHTFY-DGCLKSJQSA-N 0 0 321.471 3.676 50 0 DHAARN O=C(COc1ccccc1Cl)N1CCSc2ccccc21 ZINC000021331633 182272087 /nfs/dbraw/zinc/27/20/87/182272087.db2.gz PGJIRROMIMWQJU-UHFFFAOYSA-N 0 0 319.813 3.858 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)no1 ZINC000021718696 182285357 /nfs/dbraw/zinc/28/53/57/182285357.db2.gz YFRHLHOLUKTVMS-MRXNPFEDSA-N 0 0 323.352 3.615 50 0 DHAARN CCCc1cc([C@H]2CCCN2Cc2ccc(OC)c(O)c2)no1 ZINC000021720169 182286211 /nfs/dbraw/zinc/28/62/11/182286211.db2.gz LPPCPTOUZCBGCW-MRXNPFEDSA-N 0 0 316.401 3.678 50 0 DHAARN CCN(Cc1ccccc1)C(=O)Nc1c[nH]c2ccccc2c1=O ZINC000021523405 182278766 /nfs/dbraw/zinc/27/87/66/182278766.db2.gz CBNODNWZCWMWPI-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN CCOc1ccc(CCNc2nc(-c3ccccc3)no2)cc1 ZINC000021629831 182281196 /nfs/dbraw/zinc/28/11/96/182281196.db2.gz KFMJWDKRPIDAKP-UHFFFAOYSA-N 0 0 309.369 3.790 50 0 DHAARN O=C(c1cc(-c2cccs2)on1)N1CCc2sccc2C1 ZINC000021629407 182281309 /nfs/dbraw/zinc/28/13/09/182281309.db2.gz AHQRIYBRPMPLPL-UHFFFAOYSA-N 0 0 316.407 3.663 50 0 DHAARN CC(C)OCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000021634132 182281493 /nfs/dbraw/zinc/28/14/93/182281493.db2.gz KHBJPSJQQRRNBZ-UHFFFAOYSA-N 0 0 305.349 3.631 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1ncoc1-c1cccs1 ZINC000021641717 182282005 /nfs/dbraw/zinc/28/20/05/182282005.db2.gz UOLAITZJBLNTGH-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(N(C)c2ccccc2)n1 ZINC000021645075 182282042 /nfs/dbraw/zinc/28/20/42/182282042.db2.gz ACLYFOYAWKZSJG-UHFFFAOYSA-N 0 0 307.353 3.574 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000021707607 182284197 /nfs/dbraw/zinc/28/41/97/182284197.db2.gz HTQNRJPYFGRGML-ZDUSSCGKSA-N 0 0 321.380 3.932 50 0 DHAARN CCCCN(C)c1ncnc2onc(-c3cc(F)cc(F)c3)c21 ZINC000021714873 182284549 /nfs/dbraw/zinc/28/45/49/182284549.db2.gz QXOHNOYQTURGQZ-UHFFFAOYSA-N 0 0 318.327 3.799 50 0 DHAARN CCn1nccc1[C@@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000021791740 182289956 /nfs/dbraw/zinc/28/99/56/182289956.db2.gz ZPOFQHYLXOHSAF-INIZCTEOSA-N 0 0 312.417 3.889 50 0 DHAARN C[C@@H]1CNc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000021793401 182290055 /nfs/dbraw/zinc/29/00/55/182290055.db2.gz WRUYWUZCEXHLHL-GFCCVEGCSA-N 0 0 300.789 3.935 50 0 DHAARN CNc1cc(C)nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn21 ZINC000021799135 182290600 /nfs/dbraw/zinc/29/06/00/182290600.db2.gz DHCUKELONGFFML-UHFFFAOYSA-N 0 0 324.281 3.904 50 0 DHAARN Cc1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1Cl ZINC000021806838 182291017 /nfs/dbraw/zinc/29/10/17/182291017.db2.gz ZKNUOTRKXDYAEZ-UHFFFAOYSA-N 0 0 317.698 3.653 50 0 DHAARN CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)nc1N)c1ccccc1 ZINC000021804880 182291113 /nfs/dbraw/zinc/29/11/13/182291113.db2.gz ALDANCGCHGFPIW-OAHLLOKOSA-N 0 0 324.359 3.500 50 0 DHAARN O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccccn1 ZINC000021893599 182296677 /nfs/dbraw/zinc/29/66/77/182296677.db2.gz PTNKEIVURASSGG-UHFFFAOYSA-N 0 0 319.364 3.843 50 0 DHAARN COc1cc(C)c(NC(=O)CCc2ccsc2)cc1OC ZINC000021895144 182297061 /nfs/dbraw/zinc/29/70/61/182297061.db2.gz MFDLFBQKYSARFH-UHFFFAOYSA-N 0 0 305.399 3.645 50 0 DHAARN CC(C)c1cc(C(=O)N2CCCCC2)c2cnn(C(C)C)c2n1 ZINC000021897358 182297322 /nfs/dbraw/zinc/29/73/22/182297322.db2.gz ZPYQTKXTXNVPDF-UHFFFAOYSA-N 0 0 314.433 3.762 50 0 DHAARN CSc1ncccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000021898932 182297483 /nfs/dbraw/zinc/29/74/83/182297483.db2.gz MLSAHVFATBNVAP-CYBMUJFWSA-N 0 0 316.451 3.770 50 0 DHAARN COC(=O)Cc1ccc(OCc2coc(-c3ccccc3)n2)cc1 ZINC000021756261 182287747 /nfs/dbraw/zinc/28/77/47/182287747.db2.gz TWGMZCXHPQBTDF-UHFFFAOYSA-N 0 0 323.348 3.636 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 ZINC000022009625 182303900 /nfs/dbraw/zinc/30/39/00/182303900.db2.gz VFZYABPSWLRPHX-UHFFFAOYSA-N 0 0 319.364 3.840 50 0 DHAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ncccc1O ZINC000022263577 182316038 /nfs/dbraw/zinc/31/60/38/182316038.db2.gz WUMLSIAFJGHKDQ-UHFFFAOYSA-N 0 0 318.376 3.948 50 0 DHAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1C(C)C ZINC000022288497 182316658 /nfs/dbraw/zinc/31/66/58/182316658.db2.gz MCAJAKLCCVSWBU-UHFFFAOYSA-N 0 0 322.412 3.810 50 0 DHAARN CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CC[C@H](C)C2 ZINC000022321844 182317938 /nfs/dbraw/zinc/31/79/38/182317938.db2.gz JNBMBTGSIVFDPI-JTQLQIEISA-N 0 0 321.442 3.788 50 0 DHAARN O=C(NCc1ccncc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000022645460 182329820 /nfs/dbraw/zinc/32/98/20/182329820.db2.gz DJHZUDYRKNKLNP-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN Cc1nc(CCNC(=O)c2cccc(Cl)c2Cl)cs1 ZINC000022761606 182333162 /nfs/dbraw/zinc/33/31/62/182333162.db2.gz MWJYSXBPLDYBIV-UHFFFAOYSA-N 0 0 315.225 3.731 50 0 DHAARN CSc1ccccc1C(=O)NCc1cc(-c2ccco2)on1 ZINC000022768656 182334083 /nfs/dbraw/zinc/33/40/83/182334083.db2.gz ANIPICLSNHZZCA-UHFFFAOYSA-N 0 0 314.366 3.587 50 0 DHAARN Cc1c(C(=O)NCC(C)C)sc2nc(C3CC3)nc(C)c12 ZINC000022990886 182344451 /nfs/dbraw/zinc/34/44/51/182344451.db2.gz RSNLXAMYPQTKBX-UHFFFAOYSA-N 0 0 303.431 3.571 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(C)c1 ZINC000022863698 182337693 /nfs/dbraw/zinc/33/76/93/182337693.db2.gz ZGFNVFBTICTMAG-UHFFFAOYSA-N 0 0 322.408 3.678 50 0 DHAARN CC(C)=CC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 ZINC000022896764 182340140 /nfs/dbraw/zinc/34/01/40/182340140.db2.gz KOGMXMWKWFKVFN-UHFFFAOYSA-N 0 0 300.383 3.917 50 0 DHAARN C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C)O[C@H](C)C1 ZINC000023016459 182344931 /nfs/dbraw/zinc/34/49/31/182344931.db2.gz WBWROZJWISAZMY-IJLUTSLNSA-N 0 0 309.360 3.602 50 0 DHAARN Cc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cn1 ZINC000023042385 182345860 /nfs/dbraw/zinc/34/58/60/182345860.db2.gz RJDMKTPZYMUATR-UHFFFAOYSA-N 0 0 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ZINC000040096898 183034275 /nfs/dbraw/zinc/03/42/75/183034275.db2.gz AWVRSCGDKPFKJN-UHFFFAOYSA-N 0 0 304.777 3.979 50 0 DHAARN Cc1nc2ccc(NC(=O)N(C)Cc3ccco3)cc2s1 ZINC000040103245 183034979 /nfs/dbraw/zinc/03/49/79/183034979.db2.gz MGLLMSZOOSEZGU-UHFFFAOYSA-N 0 0 301.371 3.862 50 0 DHAARN C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CC=CCC1 ZINC000040108455 183036444 /nfs/dbraw/zinc/03/64/44/183036444.db2.gz MYWCYOAEQYMVED-TZMCWYRMSA-N 0 0 322.246 3.853 50 0 DHAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccsc1 ZINC000040112246 183036849 /nfs/dbraw/zinc/03/68/49/183036849.db2.gz QQXFLTWQHQMOKM-UHFFFAOYSA-N 0 0 300.383 3.657 50 0 DHAARN Cc1cnc(C(=O)Nc2ccccc2N(C)c2ccccc2)cn1 ZINC000040114469 183036996 /nfs/dbraw/zinc/03/69/96/183036996.db2.gz INUWYEWQUWCKJM-UHFFFAOYSA-N 0 0 318.380 3.805 50 0 DHAARN C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccs1 ZINC000040108473 183037243 /nfs/dbraw/zinc/03/72/43/183037243.db2.gz NWZVUVKYSFMLPD-SNVBAGLBSA-N 0 0 324.243 3.872 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000040112875 183037346 /nfs/dbraw/zinc/03/73/46/183037346.db2.gz HMSKLNMCTFAJQQ-NSHDSACASA-N 0 0 302.374 3.570 50 0 DHAARN C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1cccs1 ZINC000040121053 183037877 /nfs/dbraw/zinc/03/78/77/183037877.db2.gz GBWRMIYEESQEAG-LBPRGKRZSA-N 0 0 316.430 3.626 50 0 DHAARN CC(C)CO[C@H](C)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000040121688 183038532 /nfs/dbraw/zinc/03/85/32/183038532.db2.gz QVBUGGNSDPJJRZ-HUUCEWRRSA-N 0 0 307.434 3.712 50 0 DHAARN CC[C@H](C)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000040122129 183038770 /nfs/dbraw/zinc/03/87/70/183038770.db2.gz YGBFOWIIFCRTKU-INIZCTEOSA-N 0 0 311.425 3.970 50 0 DHAARN Cc1nnc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)s1 ZINC000040140567 183039403 /nfs/dbraw/zinc/03/94/03/183039403.db2.gz GMSPEZRWLULUEH-JTQLQIEISA-N 0 0 319.430 3.550 50 0 DHAARN Cc1nc(NC(=O)c2csc(NCC(C)C)n2)sc1C ZINC000040283952 183050788 /nfs/dbraw/zinc/05/07/88/183050788.db2.gz JBMQAXCUROTOOH-UHFFFAOYSA-N 0 0 310.448 3.537 50 0 DHAARN CC(=O)c1cn(CC(=O)N(C)Cc2ccccc2)c2ccccc12 ZINC000040288526 183052328 /nfs/dbraw/zinc/05/23/28/183052328.db2.gz FRVWVJBUOYVFGI-UHFFFAOYSA-N 0 0 320.392 3.503 50 0 DHAARN Cc1nc(C(=O)Nc2nccs2)c(-c2ccccc2)s1 ZINC000040326454 183054101 /nfs/dbraw/zinc/05/41/01/183054101.db2.gz LNHSUQLBGRNPKL-UHFFFAOYSA-N 0 0 301.396 3.827 50 0 DHAARN CCc1nc(Cl)c(N)c(Oc2ccc3cccnc3c2)n1 ZINC000040428552 183065289 /nfs/dbraw/zinc/06/52/89/183065289.db2.gz WQGYRGMJVTXKEY-UHFFFAOYSA-N 0 0 300.749 3.615 50 0 DHAARN CCc1nc(Cl)c(N)c(Oc2cccc3cccnc32)n1 ZINC000040428550 183065401 /nfs/dbraw/zinc/06/54/01/183065401.db2.gz HXWORNSLFVKGIW-UHFFFAOYSA-N 0 0 300.749 3.615 50 0 DHAARN CSc1ccc(Cl)c(C(=O)NCCCOC(C)C)c1 ZINC000040460025 183070020 /nfs/dbraw/zinc/07/00/20/183070020.db2.gz XTAUKTPCNGSWFT-UHFFFAOYSA-N 0 0 301.839 3.607 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478380 183075894 /nfs/dbraw/zinc/07/58/94/183075894.db2.gz SLAQTPFXTIDTHT-GFCCVEGCSA-N 0 0 321.355 3.807 50 0 DHAARN 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50 0 DHAARN Clc1ccc(-c2ccc(CN3CCOCC3)cn2)cc1Cl ZINC000065461208 184349085 /nfs/dbraw/zinc/34/90/85/184349085.db2.gz SBCNPCKWEBIOKP-UHFFFAOYSA-N 0 0 323.223 3.888 50 0 DHAARN Cc1csc([C@H]2CN(Cc3csc(C(C)C)n3)CCO2)n1 ZINC000065473890 184351165 /nfs/dbraw/zinc/35/11/65/184351165.db2.gz SOMWLWOPCAGJDO-CYBMUJFWSA-N 0 0 323.487 3.605 50 0 DHAARN CC(=O)Nc1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)ccc1F ZINC000065476043 184351720 /nfs/dbraw/zinc/35/17/20/184351720.db2.gz TXGDBSSXKWZTFN-CQSZACIVSA-N 0 0 320.408 3.825 50 0 DHAARN O=C(Nc1cccc2[nH]ccc21)C1(c2ccccc2)CCOCC1 ZINC000065474911 184351916 /nfs/dbraw/zinc/35/19/16/184351916.db2.gz OVAWAIFDRNSDJS-UHFFFAOYSA-N 0 0 320.392 3.855 50 0 biogenic DHAARN CC(C)c1nc(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)cs1 ZINC000065479253 184352250 /nfs/dbraw/zinc/35/22/50/184352250.db2.gz SIBGSMCJSNMSHD-CQSZACIVSA-N 0 0 303.431 3.501 50 0 DHAARN Cc1nc([C@@H](C)N(C)Cc2ccc(-c3cc[nH]n3)o2)c(C)s1 ZINC000065399255 184336721 /nfs/dbraw/zinc/33/67/21/184336721.db2.gz IRBGNWIRAGIQOE-SNVBAGLBSA-N 0 0 316.430 3.936 50 0 DHAARN CCOCCc1nc(CC(C)C)nn1-c1cccc2cccnc21 ZINC000065526432 184359429 /nfs/dbraw/zinc/35/94/29/184359429.db2.gz LJRWJTRFOQDUMZ-UHFFFAOYSA-N 0 0 324.428 3.593 50 0 DHAARN COc1nccnc1-c1ccccc1-c1nc2ccccc2o1 ZINC000065533374 184361838 /nfs/dbraw/zinc/36/18/38/184361838.db2.gz VBOFHISOFIKDGQ-UHFFFAOYSA-N 0 0 303.321 3.960 50 0 DHAARN Cc1noc(C)c1CC(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000065533963 184361995 /nfs/dbraw/zinc/36/19/95/184361995.db2.gz AMMLVQOGIKQRLN-UHFFFAOYSA-N 0 0 314.429 3.909 50 0 DHAARN CC(C)=Cc1c(-c2ccccc2)ncn1CCCN1CCCC1=O ZINC000065534265 184362054 /nfs/dbraw/zinc/36/20/54/184362054.db2.gz YANQVCWDQPMLFS-UHFFFAOYSA-N 0 0 323.440 3.986 50 0 DHAARN CC(C)Sc1ncccc1C(=O)N[C@@H](C)Cc1ccco1 ZINC000065551901 184364761 /nfs/dbraw/zinc/36/47/61/184364761.db2.gz ICZUWXDZEPZRPN-LBPRGKRZSA-N 0 0 304.415 3.536 50 0 DHAARN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccn1 ZINC000065589666 184369205 /nfs/dbraw/zinc/36/92/05/184369205.db2.gz KQWRVMGYWHILGV-UHFFFAOYSA-N 0 0 309.196 3.637 50 0 DHAARN Cc1nn(-c2cc(O)c(F)c(F)c2)c(C)c1-c1ccccc1O ZINC000065508866 184357476 /nfs/dbraw/zinc/35/74/76/184357476.db2.gz GHYNPRZSMYVHHE-UHFFFAOYSA-N 0 0 316.307 3.846 50 0 DHAARN CCN(Cc1ccccc1)C(=O)CCc1c(C)noc1Cl ZINC000066042359 184385211 /nfs/dbraw/zinc/38/52/11/184385211.db2.gz FTBRNNFCMMOPCR-UHFFFAOYSA-N 0 0 306.793 3.618 50 0 DHAARN Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000065722561 184377417 /nfs/dbraw/zinc/37/74/17/184377417.db2.gz OHPVVFIOHVJLDB-ZDUSSCGKSA-N 0 0 303.789 3.846 50 0 DHAARN CSc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 ZINC000065758559 184378983 /nfs/dbraw/zinc/37/89/83/184378983.db2.gz IFEXAASJHMFGFD-UHFFFAOYSA-N 0 0 308.406 3.887 50 0 DHAARN O=C(Nc1ccccc1NCC(F)(F)F)c1cccs1 ZINC000066452299 184409659 /nfs/dbraw/zinc/40/96/59/184409659.db2.gz JGYRDNXJQXEAET-UHFFFAOYSA-N 0 0 300.305 3.975 50 0 DHAARN Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000067724324 184482494 /nfs/dbraw/zinc/48/24/94/184482494.db2.gz NGYVSCABNMSYGR-HZPDHXFCSA-N 0 0 319.364 3.787 50 0 DHAARN Cc1cc(-c2ccccc2CO)ccc1NC(=O)c1cccnc1 ZINC000067675953 184478621 /nfs/dbraw/zinc/47/86/21/184478621.db2.gz LCQOVLCEUWYGDS-UHFFFAOYSA-N 0 0 318.376 3.802 50 0 DHAARN Cc1nc(C)n(Cc2nc(-c3ccccc3Cl)oc2C)n1 ZINC000067678150 184479163 /nfs/dbraw/zinc/47/91/63/184479163.db2.gz PONQVWCDOUNMJM-UHFFFAOYSA-N 0 0 302.765 3.560 50 0 DHAARN O=C([C@@H]1C[C@@H]1c1ccccc1Br)N1CCCCC1 ZINC000069416818 184513122 /nfs/dbraw/zinc/51/31/22/184513122.db2.gz NZTSFBQGQSVEHI-CHWSQXEVSA-N 0 0 308.219 3.565 50 0 DHAARN Cc1cc(C(=O)N(Cc2cccnc2)C(C)C)c2ccccc2n1 ZINC000069387873 184511526 /nfs/dbraw/zinc/51/15/26/184511526.db2.gz JULNXUCTHBCANO-UHFFFAOYSA-N 0 0 319.408 3.989 50 0 DHAARN C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccn1 ZINC000069559947 184525375 /nfs/dbraw/zinc/52/53/75/184525375.db2.gz QMFKVQDGOPSCJX-JSGCOSHPSA-N 0 0 322.330 3.995 50 0 DHAARN CCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)Cc1ccccc1 ZINC000034796850 256532894 /nfs/dbraw/zinc/53/28/94/256532894.db2.gz CWWODIWJSVDUNO-UHFFFAOYSA-N 0 0 323.371 3.959 50 0 DHAARN CCOc1cccc2cc([C@@H](C)NC(=O)c3cccnc3)oc21 ZINC000057908404 256538439 /nfs/dbraw/zinc/53/84/39/256538439.db2.gz KOEZGMQDDSOVFH-GFCCVEGCSA-N 0 0 310.353 3.718 50 0 DHAARN O=C(NCCc1ccccc1)Nc1ccc(Br)cc1 ZINC000000398220 257234476 /nfs/dbraw/zinc/23/44/76/257234476.db2.gz DKONWPDROFKHTB-UHFFFAOYSA-N 0 0 319.202 3.813 50 0 DHAARN COc1ccc(CCNC(=O)Nc2ccc3c(ccn3C)c2)cc1 ZINC000263586164 257213429 /nfs/dbraw/zinc/21/34/29/257213429.db2.gz QTZGFQXFQUHXBS-UHFFFAOYSA-N 0 0 323.396 3.551 50 0 DHAARN COc1cc(C)ccc1OCC(=O)Nc1ccc(C)cc1Cl ZINC000003354725 257213902 /nfs/dbraw/zinc/21/39/02/257213902.db2.gz XHQAKPOQAJQFDD-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN Cc1cc2c(cc1CN1CCCC[C@H]1c1nccs1)OCO2 ZINC000216502968 257273761 /nfs/dbraw/zinc/27/37/61/257273761.db2.gz YGLUOHXVLIMTKW-AWEZNQCLSA-N 0 0 316.426 3.907 50 0 DHAARN CCS[C@@H]1CCCCN(C(=O)C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC000361035818 257236506 /nfs/dbraw/zinc/23/65/06/257236506.db2.gz PIDFKNVEPNTKEL-OWCLPIDISA-N 0 0 313.507 3.716 50 0 DHAARN CCn1c(SCCC(F)(F)Cl)nnc1-c1ccco1 ZINC000521395199 257241166 /nfs/dbraw/zinc/24/11/66/257241166.db2.gz YGFILVBJXBSHRN-UHFFFAOYSA-N 0 0 307.753 3.872 50 0 DHAARN CC(C)CCNC(=O)N(Cc1ccsc1)Cc1cccnc1 ZINC000426715836 257243123 /nfs/dbraw/zinc/24/31/23/257243123.db2.gz HNKATJYTGPTNSA-UHFFFAOYSA-N 0 0 317.458 3.901 50 0 DHAARN CCc1cc(Cl)ccc1NC(=O)NCC[C@@H]1CCCOC1 ZINC000426661359 257244089 /nfs/dbraw/zinc/24/40/89/257244089.db2.gz QOHBPFVECGWSDN-LBPRGKRZSA-N 0 0 310.825 3.841 50 0 DHAARN CC(C)c1ccccc1-c1cccc(C(=O)N[C@@H]2CCOC2)c1 ZINC000426697629 257244180 /nfs/dbraw/zinc/24/41/80/257244180.db2.gz ZGYQMCDPYKRQFA-QGZVFWFLSA-N 0 0 309.409 3.996 50 0 DHAARN C[C@H](c1ccc(-c2ccc3c(n2)CCC3)cc1)N1CCOCC1 ZINC000426602509 257245287 /nfs/dbraw/zinc/24/52/87/257245287.db2.gz NNTBEMPHNMHAAG-OAHLLOKOSA-N 0 0 308.425 3.631 50 0 DHAARN COCC1(CNC(=O)c2ccc(-c3ccsc3)cc2)CCC1 ZINC000426503706 257248275 /nfs/dbraw/zinc/24/82/75/257248275.db2.gz VIMNJRRAJIGPTR-UHFFFAOYSA-N 0 0 315.438 3.962 50 0 DHAARN COc1ccc(-c2cnn([C@H]3CCCCO3)c2)c2cccnc12 ZINC000426490348 257249253 /nfs/dbraw/zinc/24/92/53/257249253.db2.gz SFXPWKVIAICDFU-QGZVFWFLSA-N 0 0 309.369 3.806 50 0 DHAARN Cc1c(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)ccn1C ZINC000426377997 257252255 /nfs/dbraw/zinc/25/22/55/257252255.db2.gz NJCBWUASJLJSKC-CQSZACIVSA-N 0 0 302.805 3.617 50 0 DHAARN CCCN(Cc1ccco1)C(=O)N[C@@H](C)c1ccc(C)nc1 ZINC000426361195 257252937 /nfs/dbraw/zinc/25/29/37/257252937.db2.gz HLFSLUCTLSFACM-AWEZNQCLSA-N 0 0 301.390 3.666 50 0 DHAARN CCOC(=O)Nc1ccc(OCc2oc(CC)nc2C)cc1 ZINC000408525382 257254381 /nfs/dbraw/zinc/25/43/81/257254381.db2.gz ZLWGVYDKJWFSLS-UHFFFAOYSA-N 0 0 304.346 3.693 50 0 DHAARN Cc1c[nH]cc1C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000408521501 257254729 /nfs/dbraw/zinc/25/47/29/257254729.db2.gz WULCOIPIYYBAIT-UHFFFAOYSA-N 0 0 308.303 3.582 50 0 DHAARN CCn1c(SCc2c(C)nsc2C)nnc1-c1ccco1 ZINC000408518365 257255337 /nfs/dbraw/zinc/25/53/37/257255337.db2.gz DERSMDDMLHIUEO-UHFFFAOYSA-N 0 0 320.443 3.924 50 0 DHAARN CCO[C@@H]1CCN(C(=O)c2csc3ccccc23)C[C@@H]1C ZINC000408519873 257255361 /nfs/dbraw/zinc/25/53/61/257255361.db2.gz JQSKMSYPMWPJIS-SWLSCSKDSA-N 0 0 303.427 3.788 50 0 DHAARN CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@H]1c1cccs1 ZINC000252475114 257258866 /nfs/dbraw/zinc/25/88/66/257258866.db2.gz SVDFRFHPWIVLNK-OLZOCXBDSA-N 0 0 319.430 3.599 50 0 DHAARN C[C@@H]([C@H](C)NC(=O)C1C[C@H]2CC[C@@H](C1)C2=O)C1CCCCC1 ZINC000239807456 257259892 /nfs/dbraw/zinc/25/98/92/257259892.db2.gz CSCBDSZYSCKVBD-LELATDSJSA-N 0 0 305.462 3.713 50 0 DHAARN CCOc1ccccc1Oc1coc2cc(OC)ccc2c1=O ZINC000000463932 257261006 /nfs/dbraw/zinc/26/10/06/257261006.db2.gz KKYRVIUNXHOMFK-UHFFFAOYSA-N 0 0 312.321 3.993 50 0 biogenic DHAARN CC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000012732998 257268288 /nfs/dbraw/zinc/26/82/88/257268288.db2.gz FVFPJZDSHTWGRG-LBPRGKRZSA-N 0 0 316.426 3.581 50 0 DHAARN COc1cc(-c2cccc(-c3ccn(C)n3)c2)cc(OC)c1OC ZINC000023192957 257269136 /nfs/dbraw/zinc/26/91/36/257269136.db2.gz NFXRKJZRRLZWTO-UHFFFAOYSA-N 0 0 324.380 3.780 50 0 DHAARN O=C(Nc1nc2ccc(F)cc2s1)c1n[nH]c2ccccc21 ZINC000028840489 257269597 /nfs/dbraw/zinc/26/95/97/257269597.db2.gz NRARWXQQOSMQFT-UHFFFAOYSA-N 0 0 312.329 3.564 50 0 DHAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc2occc2[nH]1 ZINC000151306631 196662424 /nfs/dbraw/zinc/66/24/24/196662424.db2.gz PTEDEPXAGHHZPI-INIZCTEOSA-N 0 0 311.385 3.857 50 0 DHAARN O=C(CCc1cc(F)ccc1F)N1CCC[C@@H]1c1ccc[nH]1 ZINC000071823307 184854226 /nfs/dbraw/zinc/85/42/26/184854226.db2.gz DUCBPZDZNQPPEM-MRXNPFEDSA-N 0 0 304.340 3.589 50 0 DHAARN COCc1nc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)cs1 ZINC000071831011 184859855 /nfs/dbraw/zinc/85/98/55/184859855.db2.gz SJASICILGYFKRG-HNNXBMFYSA-N 0 0 316.426 3.513 50 0 DHAARN CCCC(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000069587939 184818800 /nfs/dbraw/zinc/81/88/00/184818800.db2.gz PQNQPSOLZWDAPC-QGZVFWFLSA-N 0 0 322.493 3.502 50 0 DHAARN COc1ccc(N(C(=O)Cc2ccc(C)nc2)C(C)C)cc1F ZINC000069697207 184837321 /nfs/dbraw/zinc/83/73/21/184837321.db2.gz UQFLOQTWZWOSSJ-UHFFFAOYSA-N 0 0 316.376 3.522 50 0 DHAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2cccc(O)c2)s1 ZINC000071908397 184899535 /nfs/dbraw/zinc/89/95/35/184899535.db2.gz RGWPTOVIXMKDNN-OAHLLOKOSA-N 0 0 301.411 3.668 50 0 DHAARN CCCCNC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000071909604 184900959 /nfs/dbraw/zinc/90/09/59/184900959.db2.gz XAQNLSQDZYGBRE-OAQYLSRUSA-N 0 0 310.463 3.655 50 0 DHAARN O=C(/C=C/c1ccnc2ccccc12)N(CC(F)(F)F)C1CC1 ZINC000071910382 184901402 /nfs/dbraw/zinc/90/14/02/184901402.db2.gz QVMYNCKXGTXXJR-VMPITWQZSA-N 0 0 320.314 3.801 50 0 DHAARN Cc1cc(CN(C[C@H](C)O)c2ccccc2)c2ccccc2n1 ZINC000074353631 184975507 /nfs/dbraw/zinc/97/55/07/184975507.db2.gz WFTFBCJZBDHVSO-INIZCTEOSA-N 0 0 306.409 3.931 50 0 DHAARN Cc1[nH]ccc1C(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000272582998 130044014 /nfs/dbraw/zinc/04/40/14/130044014.db2.gz YKZLDVYWEGYCHW-ZDUSSCGKSA-N 0 0 312.417 3.658 50 0 DHAARN CCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl ZINC000298094920 132046528 /nfs/dbraw/zinc/04/65/28/132046528.db2.gz QWAAABSYDJKPRN-UHFFFAOYSA-N 0 0 318.808 3.673 50 0 DHAARN OCc1cc2ccccc2nc1N1CCC[C@H](C(F)(F)F)C1 ZINC000071893808 134422202 /nfs/dbraw/zinc/42/22/02/134422202.db2.gz FKZCCJSFFOJFKP-ZDUSSCGKSA-N 0 0 310.319 3.506 50 0 DHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCCc2ccccc21 ZINC000000051576 134426768 /nfs/dbraw/zinc/42/67/68/134426768.db2.gz WWSWFLFHNAGJJF-UHFFFAOYSA-N 0 0 323.417 3.981 50 0 DHAARN CCO/C=C1\c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000003249376 134453966 /nfs/dbraw/zinc/45/39/66/134453966.db2.gz UGFUJFDKZLACMS-LDADJPATSA-N 0 0 321.376 3.868 50 0 DHAARN O=C(Cc1ccccc1F)Nc1ccccc1N1CCCCC1 ZINC000003603653 134455217 /nfs/dbraw/zinc/45/52/17/134455217.db2.gz LEKYXDHLPQWSBT-UHFFFAOYSA-N 0 0 312.388 3.997 50 0 DHAARN CC[C@@H]1CN(C(=O)NCCc2ccccc2)c2ccccc2O1 ZINC000006845581 134480216 /nfs/dbraw/zinc/48/02/16/134480216.db2.gz MAUHXGDRXQEQDJ-MRXNPFEDSA-N 0 0 310.397 3.616 50 0 DHAARN Cc1ccc2c(c1)CCCN2CC(=O)N[C@H](C)c1ccccc1 ZINC000007494368 134483764 /nfs/dbraw/zinc/48/37/64/134483764.db2.gz NBHUUVKGXGPVBE-MRXNPFEDSA-N 0 0 308.425 3.625 50 0 DHAARN O=C(c1cc2ccccc2c(=O)s1)N1CCCc2ccccc21 ZINC000012030339 134500668 /nfs/dbraw/zinc/50/06/68/134500668.db2.gz ONSCPOYMJRUTIW-UHFFFAOYSA-N 0 0 321.401 3.855 50 0 DHAARN Cc1cccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000016279011 134527119 /nfs/dbraw/zinc/52/71/19/134527119.db2.gz NUAHIGIHSBLDBR-UHFFFAOYSA-N 0 0 314.816 3.611 50 0 DHAARN Cc1oc(-c2cccs2)nc1CC(=O)OCCC(F)(F)F ZINC000130558873 196090472 /nfs/dbraw/zinc/09/04/72/196090472.db2.gz AKZATBLQKVPGSW-UHFFFAOYSA-N 0 0 319.304 3.750 50 0 DHAARN CCOc1ccc([C@@H](NC(=O)CC)c2ccc(OC)cc2)cc1 ZINC000000509459 262530497 /nfs/dbraw/zinc/53/04/97/262530497.db2.gz SWAPVXBLRUCLMN-IBGZPJMESA-N 0 0 313.397 3.710 50 0 DHAARN Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000006418485 431316601 /nfs/dbraw/zinc/31/66/01/431316601.db2.gz BBIGAWNYPXWWTI-UHFFFAOYSA-N 0 0 318.442 3.698 50 0 DHAARN COc1ccc(CCNC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000000567165 331463916 /nfs/dbraw/zinc/46/39/16/331463916.db2.gz CBKILJJDEYNWRE-AWEZNQCLSA-N 0 0 315.438 3.535 50 0 DHAARN Cc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1 ZINC000002623235 331471518 /nfs/dbraw/zinc/47/15/18/331471518.db2.gz XJZYODFQJNDYKU-UHFFFAOYSA-N 0 0 300.358 3.925 50 0 DHAARN Brc1cccc(CSc2nnc3ccccn32)c1 ZINC000006170992 331494254 /nfs/dbraw/zinc/49/42/54/331494254.db2.gz RSCCNGQEFDTXDM-UHFFFAOYSA-N 0 0 320.215 3.784 50 0 DHAARN O=C(O[C@H]1CCCCC1=O)c1ccccc1C(=O)c1ccccc1 ZINC000008756041 331508479 /nfs/dbraw/zinc/50/84/79/331508479.db2.gz UOTOWRKOWYGPJS-SFHVURJKSA-N 0 0 322.360 3.586 50 0 DHAARN CC(C)Oc1ccc(CCCNC(=O)c2ccc(F)cc2)cc1 ZINC000011117834 331522525 /nfs/dbraw/zinc/52/25/25/331522525.db2.gz FYYYLMOPGYGTHV-UHFFFAOYSA-N 0 0 315.388 3.976 50 0 DHAARN S=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1Cl ZINC000013790718 331545722 /nfs/dbraw/zinc/54/57/22/331545722.db2.gz RDADODNFYNKDIY-UHFFFAOYSA-N 0 0 320.801 3.920 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1C ZINC000014120875 331548028 /nfs/dbraw/zinc/54/80/28/331548028.db2.gz KZMVSXQAEDVHAR-VIFPVBQESA-N 0 0 320.339 3.603 50 0 DHAARN CC(C)n1nc(-c2nnc([C@H]3CC3(C)C)o2)c2ccccc2c1=O ZINC000521393907 331567793 /nfs/dbraw/zinc/56/77/93/331567793.db2.gz VJQSWFQTLVTTSA-CYBMUJFWSA-N 0 0 324.384 3.541 50 0 DHAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccccc1Cl ZINC000021600005 331592372 /nfs/dbraw/zinc/59/23/72/331592372.db2.gz GEVPRDUZICQMBK-UHFFFAOYSA-N 0 0 314.772 3.719 50 0 DHAARN CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1Cl ZINC000027394975 331605729 /nfs/dbraw/zinc/60/57/29/331605729.db2.gz KRIUKZNUFJLJSF-UHFFFAOYSA-N 0 0 310.825 3.807 50 0 DHAARN O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027385892 331605755 /nfs/dbraw/zinc/60/57/55/331605755.db2.gz YKDSAYREGPCZEG-CQSZACIVSA-N 0 0 324.355 3.987 50 0 DHAARN CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000059054967 331802249 /nfs/dbraw/zinc/80/22/49/331802249.db2.gz NDFWMFRAUHLMJY-NSHDSACASA-N 0 0 303.337 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CCO[P@@](=O)(c1ccccc1Cl)[C@@H](O)c1ccccc1 ZINC000000523327 563664522 /nfs/dbraw/zinc/66/45/22/563664522.db2.gz IBADJSYOHMKQHF-QRWLVFNGSA-N 0 0 310.717 3.971 50 0 DHAARN O=C(CC[C@@H]1CCCO1)Nc1nnc(CC2CCCCC2)s1 ZINC000084543952 563827713 /nfs/dbraw/zinc/82/77/13/563827713.db2.gz PAVWSGUQNGSALR-ZDUSSCGKSA-N 0 0 323.462 3.559 50 0 DHAARN Cc1csc(NC(=O)Cc2coc3cc(C)c(C)cc23)n1 ZINC000015007380 563839657 /nfs/dbraw/zinc/83/96/57/563839657.db2.gz KZAZMHRRWKQRLN-UHFFFAOYSA-N 0 0 300.383 3.996 50 0 DHAARN CCOC(=O)N1CCC([C@H](F)c2cccc(Cl)n2)CC1 ZINC000048564186 563848126 /nfs/dbraw/zinc/84/81/26/563848126.db2.gz AKGAOOHMTODOMG-ZDUSSCGKSA-N 0 0 300.761 3.614 50 0 DHAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(Cl)s1 ZINC000014176318 563910477 /nfs/dbraw/zinc/91/04/77/563910477.db2.gz NMAZMSJBEHXWOP-XFFZJAGNSA-N 0 0 307.733 3.885 50 0 DHAARN COCc1nc(C2CCCC2)n(Cc2ccccc2Cl)n1 ZINC000584896168 563925551 /nfs/dbraw/zinc/92/55/51/563925551.db2.gz INCADELCBZYHSV-UHFFFAOYSA-N 0 0 305.809 3.784 50 0 DHAARN CN(CC(=O)Nc1cccc(Cl)c1)Cc1cccc(F)c1 ZINC000013072788 563929346 /nfs/dbraw/zinc/92/93/46/563929346.db2.gz PRBBHLSWGCSPDP-UHFFFAOYSA-N 0 0 306.768 3.550 50 0 DHAARN CCSCCCN1C(=O)S/C(=C\c2cccs2)C1=O ZINC000096035790 563935209 /nfs/dbraw/zinc/93/52/09/563935209.db2.gz PLXWYOAGHYWTQP-LUAWRHEFSA-N 0 0 313.469 3.928 50 0 DHAARN CCN(C(=O)c1csc(-c2ccoc2)n1)c1nc(C)cs1 ZINC000096416483 563936944 /nfs/dbraw/zinc/93/69/44/563936944.db2.gz FLBIEROGVZQJJN-UHFFFAOYSA-N 0 0 319.411 3.835 50 0 DHAARN CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000002464669 563937936 /nfs/dbraw/zinc/93/79/36/563937936.db2.gz FBOFVWIZIXZDIX-RHSMWYFYSA-N 0 0 309.475 3.742 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1cccc(F)c1F ZINC000069535773 563953417 /nfs/dbraw/zinc/95/34/17/563953417.db2.gz SNXNKNMYUDBCTF-RISCZKNCSA-N 0 0 313.413 3.893 50 0 DHAARN CC(C)(C)Sc1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1 ZINC000069841570 563954827 /nfs/dbraw/zinc/95/48/27/563954827.db2.gz OFXLOEILRZZJAG-CYBMUJFWSA-N 0 0 308.447 3.566 50 0 DHAARN O=C(Cc1cccs1)Nc1nnc(C2CCCCC2)s1 ZINC000000380305 563247747 /nfs/dbraw/zinc/24/77/47/563247747.db2.gz AVUGEWZWYUJDMU-UHFFFAOYSA-N 0 0 307.444 3.829 50 0 DHAARN O=C(Nc1cccc2cccnc21)c1ccc(Br)o1 ZINC000000362893 563244687 /nfs/dbraw/zinc/24/46/87/563244687.db2.gz OCGRRRFNXDLIMB-UHFFFAOYSA-N 0 0 317.142 3.843 50 0 DHAARN Cc1ccccc1O[C@H](C)C(=O)NCc1ccccc1Cl ZINC000001066737 563276395 /nfs/dbraw/zinc/27/63/95/563276395.db2.gz WYCUKLVZEAZBCV-CYBMUJFWSA-N 0 0 303.789 3.732 50 0 DHAARN COC(=O)[C@H](OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000001386242 563281443 /nfs/dbraw/zinc/28/14/43/563281443.db2.gz SZMROFKGANKWSQ-OAHLLOKOSA-N 0 0 308.418 3.848 50 0 DHAARN O=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000003276905 563323505 /nfs/dbraw/zinc/32/35/05/563323505.db2.gz YHPOVKCXHPJISA-UHFFFAOYSA-N 0 0 315.170 3.751 50 0 DHAARN Cc1cc(NC(=O)C(C)(C)Oc2cc(C)ccc2Cl)no1 ZINC000006844518 563334332 /nfs/dbraw/zinc/33/43/32/563334332.db2.gz JIXGEVPZWGFJRF-UHFFFAOYSA-N 0 0 308.765 3.741 50 0 DHAARN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccon2)cc1 ZINC000012381712 563367806 /nfs/dbraw/zinc/36/78/06/563367806.db2.gz GALFPZMMZUPHSZ-UHFFFAOYSA-N 0 0 302.374 3.768 50 0 DHAARN Cc1c[nH]c(Sc2nc3cccc(C)n3c2Br)n1 ZINC000027755401 568421827 /nfs/dbraw/zinc/42/18/27/568421827.db2.gz DUMUKDSBRWXMAN-UHFFFAOYSA-N 0 0 323.219 3.588 50 0 DHAARN O=C1CN=C(c2ccc(Br)cc2)c2ccccc2N1 ZINC000072314548 563466800 /nfs/dbraw/zinc/46/68/00/563466800.db2.gz SIBZHALUYZIVSJ-UHFFFAOYSA-N 0 0 315.170 3.888 50 0 DHAARN CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1nc(C)ns1 ZINC000055198797 563472534 /nfs/dbraw/zinc/47/25/34/563472534.db2.gz NPROJTYVILWHMM-CYBMUJFWSA-N 0 0 319.434 3.637 50 0 DHAARN Cc1cccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)n1 ZINC000067514692 563487726 /nfs/dbraw/zinc/48/77/26/563487726.db2.gz BCJCOLLPCWVTNA-UHFFFAOYSA-N 0 0 308.303 3.681 50 0 DHAARN CC(C)(C)OC(=O)n1ncc2cc(OC(F)(F)F)ccc21 ZINC000071790153 563501092 /nfs/dbraw/zinc/50/10/92/563501092.db2.gz BWWMSZUCQJXCLB-UHFFFAOYSA-N 0 0 302.252 3.718 50 0 DHAARN C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc2cc(Cl)ccc2o1 ZINC000097034752 563515969 /nfs/dbraw/zinc/51/59/69/563515969.db2.gz RZYBPQYEYUABPM-SULUTDIPSA-N 0 0 313.850 3.894 50 0 DHAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1 ZINC000000042196 563211545 /nfs/dbraw/zinc/21/15/45/563211545.db2.gz HOYDAZIIVADRGL-KRXBUXKQSA-N 0 0 301.729 3.721 50 0 DHAARN CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1=S ZINC000000002085 563211175 /nfs/dbraw/zinc/21/11/75/563211175.db2.gz MWGWTOPCKLQYEU-UHFFFAOYSA-N 0 0 300.814 3.955 50 0 in-man DHAARN O=C(Cc1ccc(F)cc1)Nc1cccc(Br)c1 ZINC000000439262 563253923 /nfs/dbraw/zinc/25/39/23/563253923.db2.gz UQRANKJVBPQHKR-UHFFFAOYSA-N 0 0 308.150 3.769 50 0 DHAARN Cc1nn(-c2ccc3ccccc3n2)c2c1C(=O)CC(C)(C)C2 ZINC000000034287 563211199 /nfs/dbraw/zinc/21/11/99/563211199.db2.gz SBEZNFCZKGZNEQ-UHFFFAOYSA-N 0 0 305.381 3.884 50 0 DHAARN O=C1CN=C(c2ccc(Cl)cc2)c2oc3ccccc3c2N1 ZINC000000051502 563211807 /nfs/dbraw/zinc/21/18/07/563211807.db2.gz HXCVRHGLGHYWFQ-UHFFFAOYSA-N 0 0 310.740 3.876 50 0 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COc1ccccc1C1CCN(C(=O)c2cccs2)CC1 ZINC000000087296 563215074 /nfs/dbraw/zinc/21/50/74/563215074.db2.gz TYOMLRFCMQKKEK-UHFFFAOYSA-N 0 0 301.411 3.777 50 0 DHAARN C[C@]1(O)c2ccccc2C(=O)N1CCc1cccc2ccccc21 ZINC000000087513 563215247 /nfs/dbraw/zinc/21/52/47/563215247.db2.gz HTHRKJIVIQZAPP-NRFANRHFSA-N 0 0 317.388 3.703 50 0 DHAARN CCOC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CCCC3 ZINC000000097797 563216217 /nfs/dbraw/zinc/21/62/17/563216217.db2.gz HTEKKKVZUFXISX-VIFPVBQESA-N 0 0 322.455 3.614 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc2nsnc21 ZINC000000097470 563216353 /nfs/dbraw/zinc/21/63/53/563216353.db2.gz ZNMCMNKQGSZBCL-UHFFFAOYSA-N 0 0 303.774 3.526 50 0 DHAARN CC(=O)[C@@H](C)n1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000000098497 563217022 /nfs/dbraw/zinc/21/70/22/563217022.db2.gz WSLAHRRKOQXXSV-LLVKDONJSA-N 0 0 312.394 3.583 50 0 DHAARN CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)sc1C(N)=O ZINC000000116976 563219402 /nfs/dbraw/zinc/21/94/02/563219402.db2.gz MASVGRZPPFPAGO-UHFFFAOYSA-N 0 0 316.426 3.770 50 0 DHAARN COc1cccc(OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000000120957 563219803 /nfs/dbraw/zinc/21/98/03/563219803.db2.gz SMLBUTUCDWTSRP-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN Cc1cc(OC(=O)[C@H]2COc3ccccc3O2)cc(C)c1Cl ZINC000000118100 563219848 /nfs/dbraw/zinc/21/98/48/563219848.db2.gz DOZCTWZPVHWVBV-OAHLLOKOSA-N 0 0 318.756 3.702 50 0 DHAARN FC(F)(F)Oc1ccc(-c2nnc(-c3cccnc3)o2)cc1 ZINC000000122545 563220423 /nfs/dbraw/zinc/22/04/23/563220423.db2.gz PLAXNDABGPUEFV-UHFFFAOYSA-N 0 0 307.231 3.697 50 0 DHAARN COc1ccc(-c2nc3cc(N)ccc3o2)cc1Br ZINC000000123051 563220529 /nfs/dbraw/zinc/22/05/29/563220529.db2.gz HWWOENRGDFNVIY-UHFFFAOYSA-N 0 0 319.158 3.848 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000000128892 563221758 /nfs/dbraw/zinc/22/17/58/563221758.db2.gz PYEPLPKSUDYNTH-UHFFFAOYSA-N 0 0 303.745 3.769 50 0 DHAARN O=C(Nc1nccs1)c1ccc(COc2ccc(F)cc2)o1 ZINC000000135625 563222212 /nfs/dbraw/zinc/22/22/12/563222212.db2.gz IFGAUZLNLUDODR-UHFFFAOYSA-N 0 0 318.329 3.707 50 0 DHAARN Nc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000000136155 563222238 /nfs/dbraw/zinc/22/22/38/563222238.db2.gz KJXMTKNZTBVNTC-UHFFFAOYSA-N 0 0 318.096 3.507 50 0 aggregator DHAARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000000134712 563222426 /nfs/dbraw/zinc/22/24/26/563222426.db2.gz YOWLLKINFCZQCY-UHFFFAOYSA-N 0 0 310.397 3.938 50 0 DHAARN O=C(CCCC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000000143512 563223491 /nfs/dbraw/zinc/22/34/91/563223491.db2.gz DFSPOKYYXAOOJE-UHFFFAOYSA-N 0 0 318.323 3.712 50 0 DHAARN COc1ccccc1C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000000145298 563224040 /nfs/dbraw/zinc/22/40/40/563224040.db2.gz DKLQQQPOKCUVMK-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN O=C(CSc1nc2ccccc2o1)N1CCCc2ccccc21 ZINC000000159970 563225930 /nfs/dbraw/zinc/22/59/30/563225930.db2.gz XUWLOYYTCDBAKV-UHFFFAOYSA-N 0 0 324.405 3.899 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cn1 ZINC000000170970 563226962 /nfs/dbraw/zinc/22/69/62/563226962.db2.gz ACNXOCXSISQRFE-UHFFFAOYSA-N 0 0 311.168 3.714 50 0 DHAARN O=C(Nc1ccccc1)N1C[C@H](c2ccc(Cl)cc2)CC1=O ZINC000000184476 563229238 /nfs/dbraw/zinc/22/92/38/563229238.db2.gz RKBNAYVJTZYYPB-CYBMUJFWSA-N 0 0 314.772 3.888 50 0 DHAARN CCCn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(C)=O ZINC000000201113 563230459 /nfs/dbraw/zinc/23/04/59/563230459.db2.gz PWPDIWOEPXGOLW-GOSISDBHSA-N 0 0 321.424 3.866 50 0 DHAARN Cn1c(=O)c2ccccc2nc1SCc1ccccc1Cl ZINC000000209471 563231059 /nfs/dbraw/zinc/23/10/59/563231059.db2.gz PSBLHYJUNCRQFI-UHFFFAOYSA-N 0 0 316.813 3.879 50 0 DHAARN COc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 ZINC000000227911 563231516 /nfs/dbraw/zinc/23/15/16/563231516.db2.gz OBEUKQGHYHHUHF-UHFFFAOYSA-N 0 0 306.818 3.835 50 0 DHAARN COc1ccc([C@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222893 563231745 /nfs/dbraw/zinc/23/17/45/563231745.db2.gz PXRLUNQPPGRWBL-MSOLQXFVSA-N 0 0 320.396 3.741 50 0 DHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000230728 563232246 /nfs/dbraw/zinc/23/22/46/563232246.db2.gz GEWQSEDFRMSOAE-SNVBAGLBSA-N 0 0 322.257 3.947 50 0 DHAARN COc1ccc(NC(=O)CCCc2ccc(OC)c(C)c2)cc1 ZINC000000237611 563232286 /nfs/dbraw/zinc/23/22/86/563232286.db2.gz VFKCQIXPDUNLDD-UHFFFAOYSA-N 0 0 313.397 3.974 50 0 DHAARN Cc1ccc2c(c1)c1c(n2C[C@H]2COC(C)(C)O2)C(=O)CCC1 ZINC000000241772 563232834 /nfs/dbraw/zinc/23/28/34/563232834.db2.gz NKNDIVVMNHNKRM-ZDUSSCGKSA-N 0 0 313.397 3.620 50 0 DHAARN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000000259727 563233920 /nfs/dbraw/zinc/23/39/20/563233920.db2.gz VYRDYVCLHVLNRQ-INIZCTEOSA-N 0 0 322.408 3.802 50 0 DHAARN O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21 ZINC000000263728 563234624 /nfs/dbraw/zinc/23/46/24/563234624.db2.gz MGHLZEVMIBMMIV-UHFFFAOYSA-N 0 0 302.333 3.958 50 0 DHAARN C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000298392 563237091 /nfs/dbraw/zinc/23/70/91/563237091.db2.gz HYHSCLDDJSDEQE-LLVKDONJSA-N 0 0 304.187 3.940 50 0 DHAARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000000308900 563239218 /nfs/dbraw/zinc/23/92/18/563239218.db2.gz REWKVXNHCMSHJT-NSHDSACASA-N 0 0 301.367 3.535 50 0 DHAARN CC(C)C(=O)Nc1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000000314280 563240264 /nfs/dbraw/zinc/24/02/64/563240264.db2.gz MHKUYTGAGLNQJY-UHFFFAOYSA-N 0 0 323.607 3.590 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000000326744 563241404 /nfs/dbraw/zinc/24/14/04/563241404.db2.gz UHEWSSMQIPQZQR-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN Cc1ccccc1CNC(=O)COc1ccc(Cl)cc1Cl ZINC000000331365 563241484 /nfs/dbraw/zinc/24/14/84/563241484.db2.gz KTPAWMFDZLXOHT-UHFFFAOYSA-N 0 0 324.207 3.997 50 0 DHAARN CC(C)CC(=O)NC(=S)Nc1cccc(Cl)c1Cl ZINC000000342041 563242104 /nfs/dbraw/zinc/24/21/04/563242104.db2.gz KEJGRTUABBATER-UHFFFAOYSA-N 0 0 305.230 3.853 50 0 DHAARN COc1ccc(Cl)cc1C1N=NC(=S)N1c1ccccc1 ZINC000000354292 563243690 /nfs/dbraw/zinc/24/36/90/563243690.db2.gz CZZOAQXLDWWTKK-UHFFFAOYSA-N 0 0 317.801 3.885 50 0 DHAARN Cc1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000000367245 563246092 /nfs/dbraw/zinc/24/60/92/563246092.db2.gz SYBHAZFKYZPTNJ-UHFFFAOYSA-N 0 0 317.392 3.946 50 0 DHAARN Cc1ccccc1Cc1nn2c(Cc3ccccc3)nnc2s1 ZINC000000385288 563248709 /nfs/dbraw/zinc/24/87/09/563248709.db2.gz CGCJYGQDOUFKQV-UHFFFAOYSA-N 0 0 320.421 3.676 50 0 DHAARN Fc1ccc(-c2nn3c(nnc3-c3cccc(F)c3)s2)cc1 ZINC000000385561 563248887 /nfs/dbraw/zinc/24/88/87/563248887.db2.gz NDQXCWYXXTWQHH-UHFFFAOYSA-N 0 0 314.320 3.798 50 0 DHAARN O=c1nc(-c2ccccn2)[nH]c2scc(-c3ccccc3)c21 ZINC000000388014 563249368 /nfs/dbraw/zinc/24/93/68/563249368.db2.gz SYVXEDSLZZASBA-UHFFFAOYSA-N 0 0 305.362 3.714 50 0 DHAARN O=C(c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1 ZINC000000398499 563250564 /nfs/dbraw/zinc/25/05/64/563250564.db2.gz YPDDPOLPCVKNMJ-UHFFFAOYSA-N 0 0 322.385 3.750 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)N(C)C2CCCCC2)cc1 ZINC000000399737 563251179 /nfs/dbraw/zinc/25/11/79/563251179.db2.gz BIQYXFCMXWIITA-UHFFFAOYSA-N 0 0 304.390 3.660 50 0 DHAARN C[C@@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1 ZINC000000406511 563251464 /nfs/dbraw/zinc/25/14/64/563251464.db2.gz QTEDIMBXZHKQES-YOEHRIQHSA-N 0 0 309.365 3.900 50 0 DHAARN Cc1c2nc(-c3ccccc3)c(=O)cc-2n(-c2ccccc2)n1C ZINC000000407326 563251750 /nfs/dbraw/zinc/25/17/50/563251750.db2.gz CCZBKZQKLZPBNR-UHFFFAOYSA-N 0 0 315.376 3.651 50 0 DHAARN Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1 ZINC000000407835 563252038 /nfs/dbraw/zinc/25/20/38/563252038.db2.gz WVLCOPWKNXKUDI-DLBZAZTESA-N 0 0 308.360 3.872 50 0 DHAARN COc1cccc(F)c1C(=O)Nc1ccc(Br)cc1 ZINC000000409511 563252078 /nfs/dbraw/zinc/25/20/78/563252078.db2.gz ZCIMLQHLQNSDFL-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000000423622 563252746 /nfs/dbraw/zinc/25/27/46/563252746.db2.gz NFEUAZUWJRABTR-SECBINFHSA-N 0 0 323.190 3.632 50 0 DHAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4c(=S)[nH]nc4c23)C1 ZINC000000442859 563254325 /nfs/dbraw/zinc/25/43/25/563254325.db2.gz MUUGSJVDJUNHBI-QMMMGPOBSA-N 0 0 318.471 3.779 50 0 DHAARN COC(=O)c1ccc(NC(=O)/C(Cl)=C/c2ccccc2)cc1 ZINC000000456936 563257767 /nfs/dbraw/zinc/25/77/67/563257767.db2.gz FDDFOLZATRUXAQ-PTNGSMBKSA-N 0 0 315.756 3.692 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/nfs/dbraw/zinc/47/11/94/563471194.db2.gz PQKCHWXVNMBYBO-UHFFFAOYSA-N 0 0 313.397 3.699 50 0 DHAARN CCCCn1ncc(C)c1NC(=O)c1ccnc2ccccc21 ZINC000055182591 563471925 /nfs/dbraw/zinc/47/19/25/563471925.db2.gz IZGKNGCBKAUIQF-UHFFFAOYSA-N 0 0 308.385 3.792 50 0 DHAARN CCN(Cc1c(F)cccc1Cl)c1ncnc2oc(C)nc21 ZINC000055196452 563472612 /nfs/dbraw/zinc/47/26/12/563472612.db2.gz MXIXEYOLLAHPAY-UHFFFAOYSA-N 0 0 320.755 3.745 50 0 DHAARN CC(C)CN(Cc1ccsc1)C(=O)c1ccnn1C(F)F ZINC000055211847 563472654 /nfs/dbraw/zinc/47/26/54/563472654.db2.gz UVQOBWJJQNTHQD-UHFFFAOYSA-N 0 0 313.373 3.638 50 0 DHAARN CC(C)n1cc(CN(Cc2ccsc2)C[C@@H]2CCCO2)cn1 ZINC000055227957 563472803 /nfs/dbraw/zinc/47/28/03/563472803.db2.gz WZRAOVVDARXQLL-KRWDZBQOSA-N 0 0 319.474 3.707 50 0 DHAARN Fc1ccc(F)c(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055291838 563473397 /nfs/dbraw/zinc/47/33/97/563473397.db2.gz PTVZWPDDSROPLV-UHFFFAOYSA-N 0 0 322.786 3.940 50 0 DHAARN CCCCN(Cc1sccc1C)C(=O)CC[C@H]1CCOC1=O ZINC000055281881 563473419 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563493143 /nfs/dbraw/zinc/49/31/43/563493143.db2.gz FZNXOQVWYPRAFY-UHFFFAOYSA-N 0 0 305.337 3.827 50 0 DHAARN CC(C)c1nc(CN(C)C(=O)c2cc3ccccc3s2)no1 ZINC000067885919 563493352 /nfs/dbraw/zinc/49/33/52/563493352.db2.gz YOJNBZHSKJYRPY-UHFFFAOYSA-N 0 0 315.398 3.680 50 0 DHAARN c1cnn(Cc2ccc(-c3nccn3Cc3ccsc3)cc2)c1 ZINC000067948111 563493967 /nfs/dbraw/zinc/49/39/67/563493967.db2.gz DUSISOWGSHBVRW-UHFFFAOYSA-N 0 0 320.421 3.905 50 0 DHAARN Cc1ccoc1C(=O)N[C@@H](c1ccncc1)c1ccccc1C ZINC000067934965 563494303 /nfs/dbraw/zinc/49/43/03/563494303.db2.gz QSWAZZDWDIJEJX-KRWDZBQOSA-N 0 0 306.365 3.811 50 0 DHAARN CCOc1ccc(F)cc1[C@]1(O)C(=N)Nc2ccc(Cl)cc21 ZINC000068267792 563494660 /nfs/dbraw/zinc/49/46/60/563494660.db2.gz AUZAOHTZCMKRJQ-INIZCTEOSA-N 0 0 320.751 3.516 50 0 in-vivo DHAARN O=C(NNc1ccccc1)Nc1cccc(OC(F)(F)F)c1 ZINC000089845701 563495532 /nfs/dbraw/zinc/49/55/32/563495532.db2.gz RMSRLRSCDTZDBS-UHFFFAOYSA-N 0 0 311.263 3.734 50 0 DHAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)C1 ZINC000069570893 563497314 /nfs/dbraw/zinc/49/73/14/563497314.db2.gz LAHRIZVKZYOVOO-CQSZACIVSA-N 0 0 305.381 3.501 50 0 DHAARN Cc1ccccc1NC(=O)Nc1cc(F)c2[nH]c(=O)ccc2c1 ZINC000033127153 563497346 /nfs/dbraw/zinc/49/73/46/563497346.db2.gz GGASMOJJUYNJLX-UHFFFAOYSA-N 0 0 311.316 3.620 50 0 DHAARN CC(C)c1cncnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071415586 563499840 /nfs/dbraw/zinc/49/98/40/563499840.db2.gz PYZIYYBDIDIAED-MRXNPFEDSA-N 0 0 317.820 3.831 50 0 DHAARN Cc1oncc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071405553 563500005 /nfs/dbraw/zinc/50/00/05/563500005.db2.gz IMIMSJALDVRZGF-OAHLLOKOSA-N 0 0 316.376 3.607 50 0 DHAARN CCCc1nnc2sc(-c3ccc(-c4ccccc4)[nH]3)nn12 ZINC000071774570 563500559 /nfs/dbraw/zinc/50/05/59/563500559.db2.gz PLTAXFKHSNNEOE-UHFFFAOYSA-N 0 0 309.398 3.800 50 0 DHAARN C[C@H](Cc1ccco1)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000033206701 563500786 /nfs/dbraw/zinc/50/07/86/563500786.db2.gz OJJDPWNIUXBVHU-SNVBAGLBSA-N 0 0 313.275 3.539 50 0 DHAARN 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3.566 50 0 DHAARN COc1ccccc1NC1CCN(c2nc(C)cs2)CC1 ZINC000097037005 563504551 /nfs/dbraw/zinc/50/45/51/563504551.db2.gz OWTXIBAEOPIERW-UHFFFAOYSA-N 0 0 303.431 3.541 50 0 DHAARN C[C@@H](CO)N(C)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000097048657 563504601 /nfs/dbraw/zinc/50/46/01/563504601.db2.gz XAYGRNTZGCWMDG-LBPRGKRZSA-N 0 0 308.447 3.566 50 0 DHAARN COc1ccc2oc([C@@H](C)N[C@@H](C)c3nnc(C)o3)c(C)c2c1 ZINC000097112128 563505986 /nfs/dbraw/zinc/50/59/86/563505986.db2.gz WNFWQFFAZCZHGY-MNOVXSKESA-N 0 0 315.373 3.853 50 0 DHAARN Cc1nc(C[S@](=O)Cc2ncc(Cl)cc2Cl)cs1 ZINC000097148584 563506922 /nfs/dbraw/zinc/50/69/22/563506922.db2.gz XWDSMDSTSULPAW-GOSISDBHSA-N 0 0 321.254 3.602 50 0 DHAARN CC[C@H](Cc1cccs1)N[C@H](C(=O)OC)c1ccccc1 ZINC000097143563 563506986 /nfs/dbraw/zinc/50/69/86/563506986.db2.gz SIKGULZRAPRYIX-ZBFHGGJFSA-N 0 0 303.427 3.573 50 0 DHAARN COCc1ccc([C@H]2CCCN2C(=O)NCCC2=CCCC2)o1 ZINC000097161840 563507369 /nfs/dbraw/zinc/50/73/69/563507369.db2.gz PGVWQOYFMBHQRK-MRXNPFEDSA-N 0 0 318.417 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DHAARN O=C(NC1CC1)[C@@H](Sc1ncccc1Cl)c1ccccc1 ZINC000011249404 563512770 /nfs/dbraw/zinc/51/27/70/563512770.db2.gz RGQRVXIFZSYXLJ-AWEZNQCLSA-N 0 0 318.829 3.847 50 0 DHAARN COc1ccccc1Oc1ccc(N[C@@H]2C[C@H](C)OC2=O)cc1 ZINC000097212477 563513047 /nfs/dbraw/zinc/51/30/47/563513047.db2.gz GMFHTNNRDDZBPX-SWLSCSKDSA-N 0 0 313.353 3.603 50 0 DHAARN Cc1cc(C)c(OCc2nc(-c3ccc(O)cc3)no2)c(C)c1 ZINC000097212439 563513358 /nfs/dbraw/zinc/51/33/58/563513358.db2.gz IMOWVEWXZHQIPQ-UHFFFAOYSA-N 0 0 310.353 3.946 50 0 DHAARN CSc1nsc(SC)c1NC(=O)Nc1ccccn1 ZINC000000051362 563514155 /nfs/dbraw/zinc/51/41/55/563514155.db2.gz NUHCAGHTGNNSAW-UHFFFAOYSA-N 0 0 312.445 3.626 50 0 DHAARN Cc1cccc(C(=O)N(Cc2ccccn2)c2ccncc2)c1F ZINC000097049490 563517371 /nfs/dbraw/zinc/51/73/71/563517371.db2.gz JJQIUIMAYPNEED-UHFFFAOYSA-N 0 0 321.355 3.771 50 0 DHAARN Cc1nnc(CNc2ccc3nc(C(C)(C)C)sc3c2)n1C ZINC000097048079 563517534 /nfs/dbraw/zinc/51/75/34/563517534.db2.gz ZIZGLWVPXXKBNQ-UHFFFAOYSA-N 0 0 315.446 3.643 50 0 DHAARN c1csc([C@@H]2CN(Cc3cccc4ccccc43)CCO2)n1 ZINC000097203933 563519263 /nfs/dbraw/zinc/51/92/63/563519263.db2.gz AOXVWNVBGHQGIZ-KRWDZBQOSA-N 0 0 310.422 3.870 50 0 DHAARN O=C1NC(=Cc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000033317399 563519814 /nfs/dbraw/zinc/51/98/14/563519814.db2.gz DVRQHDMZGGJXNO-ZSOIEALJSA-N 0 0 316.719 3.576 50 0 DHAARN O=C(c1ccc(F)cc1)c1ccccc1CN1CCSCC1 ZINC000085651656 563521045 /nfs/dbraw/zinc/52/10/45/563521045.db2.gz SQTIZVNBXWDJOJ-UHFFFAOYSA-N 0 0 315.413 3.606 50 0 DHAARN Cc1cc(Cl)ccc1OCc1nc2c3ccccc3ncn2n1 ZINC000033327087 563521684 /nfs/dbraw/zinc/52/16/84/563521684.db2.gz AEDVADQXZGCFBL-UHFFFAOYSA-N 0 0 324.771 3.818 50 0 DHAARN CCOC(=O)[C@H](CC)Sc1ncnc2sc(C)c(C)c21 ZINC000000084931 563524865 /nfs/dbraw/zinc/52/48/65/563524865.db2.gz KOZUMENWZGTFCI-JTQLQIEISA-N 0 0 310.444 3.742 50 0 DHAARN CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21 ZINC000033359101 563524997 /nfs/dbraw/zinc/52/49/97/563524997.db2.gz MAQRNFMOCRQXAB-UHFFFAOYSA-N 0 0 313.195 3.532 50 0 DHAARN COc1ccnc(CSCc2noc(-c3ccsc3)n2)c1 ZINC000127417217 563528202 /nfs/dbraw/zinc/52/82/02/563528202.db2.gz CGWXFBHMPYZWAV-UHFFFAOYSA-N 0 0 319.411 3.635 50 0 DHAARN O=C1O[C@@H](Nc2ccccc2Br)c2ccccc21 ZINC000000091692 563528360 /nfs/dbraw/zinc/52/83/60/563528360.db2.gz DPXRSEJWDQURIF-CYBMUJFWSA-N 0 0 304.143 3.730 50 0 DHAARN Cc1ccc(N2CCC[C@H](c3nccn3CC3CCC3)C2)nc1 ZINC000095352440 563528838 /nfs/dbraw/zinc/52/88/38/563528838.db2.gz FMVGRUOMUJIFKU-KRWDZBQOSA-N 0 0 310.445 3.771 50 0 DHAARN c1cn(CC2CCC2)c([C@H]2CCCN(Cc3cscn3)C2)n1 ZINC000095357168 563529579 /nfs/dbraw/zinc/52/95/79/563529579.db2.gz NIHOVAFASPBARA-HNNXBMFYSA-N 0 0 316.474 3.519 50 0 DHAARN Cc1ccc(C)c(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)c1 ZINC000095387048 563529615 /nfs/dbraw/zinc/52/96/15/563529615.db2.gz KPZRUWPRODRHDC-SFHVURJKSA-N 0 0 323.436 3.501 50 0 DHAARN CC(C)c1cc(N(C)Cc2nc3cc(Cl)ccc3[nH]2)ncn1 ZINC000095376640 563529851 /nfs/dbraw/zinc/52/98/51/563529851.db2.gz YNDFTROHQYLPRW-UHFFFAOYSA-N 0 0 315.808 3.766 50 0 DHAARN CN(C)[C@H](C(=O)NCCCC1CCCC1)c1ccccc1F ZINC000095388774 563530780 /nfs/dbraw/zinc/53/07/80/563530780.db2.gz ZKSARGAEPBDBCC-KRWDZBQOSA-N 0 0 306.425 3.515 50 0 DHAARN CN(C)[C@@H](C(=O)NCCCC1CCCC1)c1ccccc1F ZINC000095388775 563530845 /nfs/dbraw/zinc/53/08/45/563530845.db2.gz ZKSARGAEPBDBCC-QGZVFWFLSA-N 0 0 306.425 3.515 50 0 DHAARN Cc1nc(Cl)c(C(=O)N2CCC(C)CC2)c(C)c1Cl ZINC000000095137 563531438 /nfs/dbraw/zinc/53/14/38/563531438.db2.gz ABSBULPCKOUIFO-UHFFFAOYSA-N 0 0 301.217 3.877 50 0 DHAARN COc1ccc([C@@H](C)Nc2nccc(-c3ccccn3)n2)cc1 ZINC000096130553 563533541 /nfs/dbraw/zinc/53/35/41/563533541.db2.gz LRBOUQWVZFRIRM-CYBMUJFWSA-N 0 0 306.369 3.720 50 0 DHAARN CCSc1ccc(NC(=O)N2CCCC[C@H]2COC)cc1 ZINC000096141315 563533866 /nfs/dbraw/zinc/53/38/66/563533866.db2.gz RKWHBRXEIQSAOB-AWEZNQCLSA-N 0 0 308.447 3.831 50 0 DHAARN CCO[C@H](C)c1ccc(-c2cc(C(=O)NC)ccc2OC)cc1 ZINC000096140531 563533991 /nfs/dbraw/zinc/53/39/91/563533991.db2.gz TZGDBHXMZYYZOW-CYBMUJFWSA-N 0 0 313.397 3.819 50 0 DHAARN CCc1ccc2nc(C)cc(-c3nc([C@H]4CCOC4)no3)c2c1 ZINC000096140553 563534013 /nfs/dbraw/zinc/53/40/13/563534013.db2.gz PEUVIEFJEQWMTA-ZDUSSCGKSA-N 0 0 309.369 3.660 50 0 DHAARN CC(C)(C)n1nc(C2CC2)nc1[C@@H](O)c1cccc(Cl)c1 ZINC000096138540 563534244 /nfs/dbraw/zinc/53/42/44/563534244.db2.gz JZLBTACJPRSJCX-ZDUSSCGKSA-N 0 0 305.809 3.646 50 0 DHAARN COc1ccc(C(N)=O)cc1-c1cc(F)cc(OCC(C)C)c1 ZINC000096162336 563534705 /nfs/dbraw/zinc/53/47/05/563534705.db2.gz INEMSZPHMZQMNC-UHFFFAOYSA-N 0 0 317.360 3.635 50 0 DHAARN CCCn1cnc2cc(NC(=O)N3CCC(F)(F)CC3)ccc21 ZINC000096166343 563534725 /nfs/dbraw/zinc/53/47/25/563534725.db2.gz RTWICUSYXUDUSQ-UHFFFAOYSA-N 0 0 322.359 3.709 50 0 DHAARN CC[C@@H](O)c1ccc(-c2ccccc2CN2CCOCC2)cc1 ZINC000096154047 563534746 /nfs/dbraw/zinc/53/47/46/563534746.db2.gz VFLBTANPPMYSJT-HXUWFJFHSA-N 0 0 311.425 3.629 50 0 DHAARN O=C(c1cccc(CNc2ccc(Cl)cn2)c1)N1CCCC1 ZINC000078631025 563536379 /nfs/dbraw/zinc/53/63/79/563536379.db2.gz ZWMDIAHDFYVAES-UHFFFAOYSA-N 0 0 315.804 3.583 50 0 DHAARN Cc1nn(-c2ccccc2Cl)c2nnc(-c3ccccc3)nc12 ZINC000096316682 563536588 /nfs/dbraw/zinc/53/65/88/563536588.db2.gz UUFDFUDEICZIHT-UHFFFAOYSA-N 0 0 321.771 3.839 50 0 DHAARN Cc1nc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)no1 ZINC000096280698 563536657 /nfs/dbraw/zinc/53/66/57/563536657.db2.gz YACJUEQOUKIWBU-UHFFFAOYSA-N 0 0 302.280 3.902 50 0 DHAARN CCN(CC)C(=S)SCc1ccc(-n2cccn2)cc1 ZINC000072862496 563536980 /nfs/dbraw/zinc/53/69/80/563536980.db2.gz KZVNMMLTFJPTKQ-UHFFFAOYSA-N 0 0 305.472 3.732 50 0 DHAARN O=C(OCc1cc(-c2ccc(F)cc2F)on1)C1CCCC1 ZINC000011613679 563537564 /nfs/dbraw/zinc/53/75/64/563537564.db2.gz LODZTVOWZQHGFO-UHFFFAOYSA-N 0 0 307.296 3.853 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C ZINC000011614183 563537916 /nfs/dbraw/zinc/53/79/16/563537916.db2.gz UCLXUJJPGZHFOC-HNNXBMFYSA-N 0 0 315.438 3.752 50 0 DHAARN COc1cc(F)ccc1-c1ncccc1C(=O)N1CCCCC1 ZINC000097087817 563538071 /nfs/dbraw/zinc/53/80/71/563538071.db2.gz GHAFFOUZTLLMKR-UHFFFAOYSA-N 0 0 314.360 3.522 50 0 DHAARN O=C(c1c[nH]nc1C1CCCCC1)N1CCc2ccccc2C1 ZINC000097370385 563538870 /nfs/dbraw/zinc/53/88/70/563538870.db2.gz MZROUXONDFHMTC-UHFFFAOYSA-N 0 0 309.413 3.656 50 0 DHAARN Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccccc2C)s1 ZINC000097505239 563539168 /nfs/dbraw/zinc/53/91/68/563539168.db2.gz DRXOABJPODBOQZ-MRXNPFEDSA-N 0 0 314.454 3.975 50 0 DHAARN FC(F)(F)C(F)(F)/C(Br)=C\Br ZINC000097436560 563539591 /nfs/dbraw/zinc/53/95/91/563539591.db2.gz CSEJQVAZQBPAOD-OWOJBTEDSA-N 0 0 303.850 3.815 50 0 DHAARN Cc1cc(C(=O)N(C)CCCSc2ccc(C)cc2)on1 ZINC000097655530 563540868 /nfs/dbraw/zinc/54/08/68/563540868.db2.gz BDNWQCQXXXUDNS-UHFFFAOYSA-N 0 0 304.415 3.546 50 0 DHAARN COc1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1F ZINC000097696190 563541678 /nfs/dbraw/zinc/54/16/78/563541678.db2.gz PWABVGLOJSKJMG-UHFFFAOYSA-N 0 0 314.360 3.522 50 0 DHAARN COc1ccc(F)c(F)c1CN1CCCC[C@H]1c1cc(C)on1 ZINC000097743100 563541871 /nfs/dbraw/zinc/54/18/71/563541871.db2.gz ZGCOONIZYUQSIQ-HNNXBMFYSA-N 0 0 322.355 3.997 50 0 DHAARN Cc1nc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n[nH]1 ZINC000011658316 563543306 /nfs/dbraw/zinc/54/33/06/563543306.db2.gz IXHMLHRYMDWJSZ-UHFFFAOYSA-N 0 0 321.405 3.659 50 0 DHAARN CO[C@@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1 ZINC000078934774 563549071 /nfs/dbraw/zinc/54/90/71/563549071.db2.gz WZZGZFWNODQVAN-CQSZACIVSA-N 0 0 324.302 3.536 50 0 DHAARN Cc1cccc(N2C(=O)C[C@@H](c3c[nH]c4ccccc43)C2=O)c1 ZINC000100738626 563553334 /nfs/dbraw/zinc/55/33/34/563553334.db2.gz LOTSUPVTKODPSQ-HNNXBMFYSA-N 0 0 304.349 3.523 50 0 DHAARN CCc1ccc(C2=Nc3nnnn3[C@@H](c3cccc(C)c3)C2)cc1 ZINC000101216966 563556760 /nfs/dbraw/zinc/55/67/60/563556760.db2.gz HITIHOOGUWFHEB-GOSISDBHSA-N 0 0 317.396 3.600 50 0 DHAARN Cc1ccc(S(=O)(=O)N(c2ccccc2F)C(F)F)cc1 ZINC000000101775 563565665 /nfs/dbraw/zinc/56/56/65/563565665.db2.gz OSAYCNKYIWNUOA-UHFFFAOYSA-N 0 0 315.316 3.552 50 0 DHAARN O=C([O-])[C@H]([NH2+]Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000381486787 563568307 /nfs/dbraw/zinc/56/83/07/563568307.db2.gz JKPHVXSURQNOOJ-CQSZACIVSA-N 0 0 309.287 3.621 50 0 DHAARN COC(=O)c1ccc(N2CCC(C(F)(F)F)CC2)cc1Cl ZINC000263639673 563568483 /nfs/dbraw/zinc/56/84/83/563568483.db2.gz DALIFBLXLRFGEZ-UHFFFAOYSA-N 0 0 321.726 3.905 50 0 DHAARN CCc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000000116089 563570826 /nfs/dbraw/zinc/57/08/26/563570826.db2.gz HXIKNWBJCBXQLE-ZRDIBKRKSA-N 0 0 311.381 3.918 50 0 DHAARN CC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000000132235 563571854 /nfs/dbraw/zinc/57/18/54/563571854.db2.gz RUTVUBFQAAQPFG-WCBMZHEXSA-N 0 0 306.456 3.886 50 0 DHAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC ZINC000000141069 563572631 /nfs/dbraw/zinc/57/26/31/563572631.db2.gz QHAJECZNKUFMKU-UHFFFAOYSA-N 0 0 303.383 3.940 50 0 DHAARN Cc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000000149295 563573388 /nfs/dbraw/zinc/57/33/88/563573388.db2.gz BDXQVNSGFJGWME-UHFFFAOYSA-N 0 0 320.801 3.518 50 0 DHAARN COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000247859914 563573893 /nfs/dbraw/zinc/57/38/93/563573893.db2.gz VXMJFDBAYLKALZ-RRQGHBQHSA-N 0 0 315.413 3.562 50 0 DHAARN O=C1N2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000000174493 563574636 /nfs/dbraw/zinc/57/46/36/563574636.db2.gz DSHWMQDBYTYDDK-MRXNPFEDSA-N 0 0 313.788 3.902 50 0 DHAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccccc1 ZINC000000176466 563575242 /nfs/dbraw/zinc/57/52/42/563575242.db2.gz QTHGDQKHIBWNCF-NSIKDUERSA-N 0 0 319.694 3.963 50 0 DHAARN COc1cccc(NC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000000180484 563575674 /nfs/dbraw/zinc/57/56/74/563575674.db2.gz RJUADYJLDDTYRW-SNVBAGLBSA-N 0 0 317.414 3.921 50 0 DHAARN Cc1ccc(N2C(=O)c3cccc4c(N)ccc(c43)C2=O)cc1 ZINC000000191681 563576895 /nfs/dbraw/zinc/57/68/95/563576895.db2.gz DZIUYGNCIQHBLT-UHFFFAOYSA-N 0 0 302.333 3.531 50 0 DHAARN CCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1 ZINC000000200794 563577335 /nfs/dbraw/zinc/57/73/35/563577335.db2.gz RGIOLANLWLKHDE-AWEZNQCLSA-N 0 0 307.397 3.937 50 0 DHAARN S=C1N=C(c2ccccc2)C[C@H](c2ccc(Cl)cc2)N1 ZINC000000195930 563577446 /nfs/dbraw/zinc/57/74/46/563577446.db2.gz ITNSDJNIGHXYRS-OAHLLOKOSA-N 0 0 300.814 3.900 50 0 DHAARN Cn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccccc1 ZINC000000213987 563578519 /nfs/dbraw/zinc/57/85/19/563578519.db2.gz OJTFXQXAGARZQQ-UHFFFAOYSA-N 0 0 321.405 3.707 50 0 DHAARN CCCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1 ZINC000000117542 563579619 /nfs/dbraw/zinc/57/96/19/563579619.db2.gz QKNIIGURSARFDB-UHFFFAOYSA-N 0 0 321.424 3.543 50 0 DHAARN Cc1ccccc1C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000000117686 563579653 /nfs/dbraw/zinc/57/96/53/563579653.db2.gz KPXHARVEDLGLBJ-UHFFFAOYSA-N 0 0 320.344 3.809 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1cncc(Br)c1 ZINC000000255987 563582224 /nfs/dbraw/zinc/58/22/24/563582224.db2.gz FXRIRBFSSZDRFQ-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN CCN(C(=S)NC[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000050251790 563583057 /nfs/dbraw/zinc/58/30/57/563583057.db2.gz JQVHFGPTQAKDNP-KRWDZBQOSA-N 0 0 314.454 3.720 50 0 DHAARN CN1CCCc2c3ccccc3n(Cc3ccccc3)c2C1=O ZINC000000264431 563583612 /nfs/dbraw/zinc/58/36/12/563583612.db2.gz BGHXSZIWOBGEKR-UHFFFAOYSA-N 0 0 304.393 3.708 50 0 biogenic DHAARN Cc1ccc(-c2cc(C(=O)N(C)C(C3CC3)C3CC3)on2)cc1 ZINC000050400193 563587032 /nfs/dbraw/zinc/58/70/32/563587032.db2.gz ISNRTFKQDLWTAA-UHFFFAOYSA-N 0 0 310.397 3.911 50 0 DHAARN COc1ccccc1-c1c(C)oc2cc(OC(C)=O)ccc2c1=O ZINC000000314411 563587283 /nfs/dbraw/zinc/58/72/83/563587283.db2.gz CDJHYMNZHZFNMD-UHFFFAOYSA-N 0 0 324.332 3.702 50 0 biogenic DHAARN FC(F)(F)c1ccc(I)cc1Cl ZINC000114480521 563587500 /nfs/dbraw/zinc/58/75/00/563587500.db2.gz OBRXTVDFVJAUAH-UHFFFAOYSA-N 0 0 306.452 3.963 50 0 DHAARN Cc1ccc(-c2noc([C@@H]3CCCCN3C(=O)C(C)C)n2)cc1 ZINC000000324481 563588029 /nfs/dbraw/zinc/58/80/29/563588029.db2.gz MTPGAPHFQLMRSW-HNNXBMFYSA-N 0 0 313.401 3.755 50 0 DHAARN CCC[C@@]1(C)Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000000335924 563588786 /nfs/dbraw/zinc/58/87/86/563588786.db2.gz XWSPNAYKFBCYTE-HNNXBMFYSA-N 0 0 302.403 3.581 50 0 DHAARN COc1ccc2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 ZINC000000339787 563588814 /nfs/dbraw/zinc/58/88/14/563588814.db2.gz OYTBCJJDIBEHRM-UHFFFAOYSA-N 0 0 316.357 3.625 50 0 DHAARN COc1nc2ccccc2cc1-c1noc(-c2ccccc2)n1 ZINC000050617631 563589984 /nfs/dbraw/zinc/58/99/84/563589984.db2.gz ZIWZBKMCMFYMTE-UHFFFAOYSA-N 0 0 303.321 3.960 50 0 DHAARN CC(C)Sc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000000369182 563590754 /nfs/dbraw/zinc/59/07/54/563590754.db2.gz MCFKTJCYBQMBNB-UHFFFAOYSA-N 0 0 309.460 3.625 50 0 DHAARN O=C(Oc1ccc(Br)cc1Br)C1CC1 ZINC000000363151 563590786 /nfs/dbraw/zinc/59/07/86/563590786.db2.gz XARRKFBEODSBKI-UHFFFAOYSA-N 0 0 319.980 3.527 50 0 DHAARN CCn1nc(C)c(/C=C\C(=O)Nc2ccc(F)cc2C)c1C ZINC000033651710 563595527 /nfs/dbraw/zinc/59/55/27/563595527.db2.gz MXBFGGRUVBLQAY-CLFYSBASSA-N 0 0 301.365 3.619 50 0 DHAARN COc1cccc(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000046572362 563597607 /nfs/dbraw/zinc/59/76/07/563597607.db2.gz RRKCKUPJAIRFGH-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1F ZINC000011750476 563599090 /nfs/dbraw/zinc/59/90/90/563599090.db2.gz BEFRRJOHBCWECA-UHFFFAOYSA-N 0 0 303.764 3.941 50 0 DHAARN Cc1ccc(O)c(C(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000011767823 563599306 /nfs/dbraw/zinc/59/93/06/563599306.db2.gz BLNMOVDNGPUREO-UHFFFAOYSA-N 0 0 310.397 3.862 50 0 DHAARN O=C(CC1CCCCC1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000046576825 563600136 /nfs/dbraw/zinc/60/01/36/563600136.db2.gz NSGFBHSDNRKOHZ-UHFFFAOYSA-N 0 0 300.402 3.944 50 0 DHAARN COc1ccc2c(c1)C(c1cccc(OC)c1)=C(Cl)[S@]2=O ZINC000248182451 563602272 /nfs/dbraw/zinc/60/22/72/563602272.db2.gz FHAMGBITMQJQJV-NRFANRHFSA-N 0 0 320.797 3.781 50 0 DHAARN COc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)c(C)n1 ZINC000126471441 563602292 /nfs/dbraw/zinc/60/22/92/563602292.db2.gz GTRLOYTXTGUMAL-CYBMUJFWSA-N 0 0 317.414 3.659 50 0 DHAARN CCCOc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 ZINC000011915434 563602409 /nfs/dbraw/zinc/60/24/09/563602409.db2.gz UKSWUMHFFWGMDJ-GFCCVEGCSA-N 0 0 314.385 3.841 50 0 DHAARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)nc(C)n1 ZINC000012016606 563603564 /nfs/dbraw/zinc/60/35/64/563603564.db2.gz ROEINTXJNCWQDD-UHFFFAOYSA-N 0 0 321.833 3.786 50 0 DHAARN C=CCOc1ccccc1/C=C1/N=C(c2cccc(F)c2)OC1=O ZINC000002081127 563606337 /nfs/dbraw/zinc/60/63/37/563606337.db2.gz ZVQUWUBPAFPGIF-FOWTUZBSSA-N 0 0 323.323 3.735 50 0 DHAARN O=c1c2ccccc2nc2n1C1(CCCC1)Cc1ccccc1-2 ZINC000000333901 563607439 /nfs/dbraw/zinc/60/74/39/563607439.db2.gz HWLVWFLHJPJKQE-UHFFFAOYSA-N 0 0 302.377 3.889 50 0 DHAARN COc1ccc(C(C)=O)cc1CNC(C)(C)c1nc(C)cs1 ZINC000072662908 563609971 /nfs/dbraw/zinc/60/99/71/563609971.db2.gz NVOSDOUZQWPDCM-UHFFFAOYSA-N 0 0 318.442 3.688 50 0 DHAARN O=C(c1noc2c1CCCC2)N1CCCC[C@@H]2CCCC[C@@H]21 ZINC000252550618 563610890 /nfs/dbraw/zinc/61/08/90/563610890.db2.gz SVJJAVSJOMGZCU-ZFWWWQNUSA-N 0 0 302.418 3.738 50 0 DHAARN O=C1CS[C@H](c2ccc(F)cc2)N1c1c(F)cccc1F ZINC000000424040 563611946 /nfs/dbraw/zinc/61/19/46/563611946.db2.gz YABUZPJMMHBBAF-OAHLLOKOSA-N 0 0 309.312 3.883 50 0 DHAARN CCOC(=O)c1sc(=S)n(-c2cc(C)cc(C)c2)c1N ZINC000000425160 563616272 /nfs/dbraw/zinc/61/62/72/563616272.db2.gz NDCOSJCHFNBWDC-UHFFFAOYSA-N 0 0 308.428 3.644 50 0 DHAARN CC(C)c1nc([C@@H]2CCCN2c2ncnc3ccsc32)no1 ZINC000075573016 563616828 /nfs/dbraw/zinc/61/68/28/563616828.db2.gz UMJIPUIORFGLLB-NSHDSACASA-N 0 0 315.402 3.539 50 0 DHAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2C)c2n1CCCC2 ZINC000078985010 563617745 /nfs/dbraw/zinc/61/77/45/563617745.db2.gz OXHGJEGPXIRCPF-UHFFFAOYSA-N 0 0 303.793 3.742 50 0 DHAARN Cc1ccc([C@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 ZINC000079017343 563617953 /nfs/dbraw/zinc/61/79/53/563617953.db2.gz DNXBAHJVPBKPKD-QGZVFWFLSA-N 0 0 319.412 3.702 50 0 DHAARN COc1ccc(C(=O)COC(=O)c2ccc(F)cc2Cl)cc1 ZINC000003228152 563622264 /nfs/dbraw/zinc/62/22/64/563622264.db2.gz ORNNZMQFZLAKLP-UHFFFAOYSA-N 0 0 322.719 3.527 50 0 DHAARN O=C(Nc1ccc2c(c1)CCCN2)c1occc1Br ZINC000236592232 563623416 /nfs/dbraw/zinc/62/34/16/563623416.db2.gz HAFLGZXPNKGKHI-UHFFFAOYSA-N 0 0 321.174 3.653 50 0 DHAARN C[C@H]1C[C@@H](C(=O)Nc2sccc2C(=O)C(C)(C)C)CCO1 ZINC000271986481 563624242 /nfs/dbraw/zinc/62/42/42/563624242.db2.gz PJRIVHDLPIGUCL-QWRGUYRKSA-N 0 0 309.431 3.731 50 0 DHAARN CCCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 ZINC000007779362 563625441 /nfs/dbraw/zinc/62/54/41/563625441.db2.gz AKFSFPAEQOROPR-UHFFFAOYSA-N 0 0 307.459 3.808 50 0 DHAARN C[C@@H](NC(=O)c1csc(-c2cccnc2)n1)c1ccccc1 ZINC000062629314 563625479 /nfs/dbraw/zinc/62/54/79/563625479.db2.gz KDTLSVBJYJEGCM-GFCCVEGCSA-N 0 0 309.394 3.696 50 0 DHAARN Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1cnn(C)c1 ZINC000014702575 563625548 /nfs/dbraw/zinc/62/55/48/563625548.db2.gz JGDLDVBYNLAYFG-UHFFFAOYSA-N 0 0 300.402 3.691 50 0 DHAARN CCc1cccc(NC(=O)COC(=O)/C=C/c2cccs2)c1 ZINC000007549588 563625672 /nfs/dbraw/zinc/62/56/72/563625672.db2.gz RPHWMBIAQGOQPO-CMDGGOBGSA-N 0 0 315.394 3.506 50 0 DHAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000064042 563628130 /nfs/dbraw/zinc/62/81/30/563628130.db2.gz INVNPXBLEIKLJV-DHZHZOJOSA-N 0 0 315.756 3.779 50 0 DHAARN COc1c(Cl)ccc(Cl)c1C(=O)NCc1ccccc1 ZINC000000094873 563628738 /nfs/dbraw/zinc/62/87/38/563628738.db2.gz GUCMJFGUMJODIV-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN Cc1cc(OCC(=O)NCc2ccccc2)cc(C)c1Cl ZINC000000447576 563630468 /nfs/dbraw/zinc/63/04/68/563630468.db2.gz ZCXNWQZGQUKUDG-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN COc1cccc(NC(=O)COc2cccc3ccccc32)c1 ZINC000000559808 563630678 /nfs/dbraw/zinc/63/06/78/563630678.db2.gz CNZIJHHQHHJWDP-UHFFFAOYSA-N 0 0 307.349 3.866 50 0 DHAARN O=C(CSc1ccc2ccccc2n1)c1ccc2c(c1)OCO2 ZINC000000619122 563631820 /nfs/dbraw/zinc/63/18/20/563631820.db2.gz RENRJWATKGLJOL-UHFFFAOYSA-N 0 0 323.373 3.939 50 0 DHAARN O=[S@](Cc1nnc(-c2ccccc2)s1)c1cccc(F)c1 ZINC000163656687 563635973 /nfs/dbraw/zinc/63/59/73/563635973.db2.gz NOPRXZBXZQWBFU-NRFANRHFSA-N 0 0 318.398 3.652 50 0 DHAARN O=[S@@](Cc1nnc(-c2ccccc2)s1)c1cccc(F)c1 ZINC000163656805 563636008 /nfs/dbraw/zinc/63/60/08/563636008.db2.gz NOPRXZBXZQWBFU-OAQYLSRUSA-N 0 0 318.398 3.652 50 0 DHAARN CC(C)(C)NC(=O)CSCc1cccc(Br)c1 ZINC000005112166 563637389 /nfs/dbraw/zinc/63/73/89/563637389.db2.gz BDMJVAYAWXSPIG-UHFFFAOYSA-N 0 0 316.264 3.597 50 0 DHAARN CC(=O)C[C@@H](Oc1cc(=O)oc2ccccc12)c1ccccc1 ZINC000003149498 563637864 /nfs/dbraw/zinc/63/78/64/563637864.db2.gz DSLGERLULZKSMC-QGZVFWFLSA-N 0 0 308.333 3.892 50 0 DHAARN CC(=O)N1CCc2cc(NCc3ccc(Cl)cc3)ccc21 ZINC000003154040 563639211 /nfs/dbraw/zinc/63/92/11/563639211.db2.gz QEJNVJORHHVLEH-UHFFFAOYSA-N 0 0 300.789 3.861 50 0 DHAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2[nH]1 ZINC000006988267 563639628 /nfs/dbraw/zinc/63/96/28/563639628.db2.gz MASAJGQOZOBAKL-UHFFFAOYSA-N 0 0 319.364 3.547 50 0 DHAARN O=C(Nc1ncccc1Cl)c1sccc1OC(F)F ZINC000179897688 563645918 /nfs/dbraw/zinc/64/59/18/563645918.db2.gz MCIBVQOSBZLOJM-UHFFFAOYSA-N 0 0 304.705 3.650 50 0 DHAARN COc1cccc(C(=O)Nc2nc3nc(C)cc(C)c3s2)c1 ZINC000011666325 563650026 /nfs/dbraw/zinc/65/00/26/563650026.db2.gz MVZMOTZXEJDWBX-UHFFFAOYSA-N 0 0 313.382 3.569 50 0 DHAARN Cc1cc(OC[C@@H](O)CSc2ccccn2)ccc1Cl ZINC000011692557 563650334 /nfs/dbraw/zinc/65/03/34/563650334.db2.gz UJBKQXXBYNBJSZ-GFCCVEGCSA-N 0 0 309.818 3.575 50 0 DHAARN C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000018207938 563653420 /nfs/dbraw/zinc/65/34/20/563653420.db2.gz CRPVDYBPOVXCBU-ZDUSSCGKSA-N 0 0 305.381 3.554 50 0 DHAARN COc1ccc2cc(CN3C[C@H](C)O[C@@H](C)C3)c(Cl)nc2c1 ZINC000012978585 563654488 /nfs/dbraw/zinc/65/44/88/563654488.db2.gz YPVROUROFZGRLL-RYUDHWBXSA-N 0 0 320.820 3.506 50 0 DHAARN Cc1nc(C)c(C(=O)Cc2nc3cc(C)ccc3oc2=O)s1 ZINC000101490894 563656283 /nfs/dbraw/zinc/65/62/83/563656283.db2.gz UIBLFRHVYFRGFW-QPEQYQDCSA-N 0 0 314.366 3.626 50 0 DHAARN O=c1c(=O)c(-c2ccccc2)c1Nc1cccc(C(F)(F)F)c1 ZINC000101982084 563658102 /nfs/dbraw/zinc/65/81/02/563658102.db2.gz UKCRTYFYUCVIMM-UHFFFAOYSA-N 0 0 317.266 3.712 50 0 DHAARN O=C1CCCC2=Nc3nonc3N[C@@H](c3cccc(F)c3F)C12 ZINC000102746158 563661950 /nfs/dbraw/zinc/66/19/50/563661950.db2.gz OTRIZZMDPSLYSG-ZDUSSCGKSA-N 0 0 318.283 3.583 50 0 DHAARN CCOc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000000530167 563665155 /nfs/dbraw/zinc/66/51/55/563665155.db2.gz WZROQQQMEKDVDC-ZWKOTPCHSA-N 0 0 320.396 3.823 50 0 DHAARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1cccs1 ZINC000000533989 563666886 /nfs/dbraw/zinc/66/68/86/563666886.db2.gz GXSXCZAIFRZHFO-UHFFFAOYSA-N 0 0 315.423 3.884 50 0 DHAARN c1nn(-c2ccccc2)c2ncn3c(nnc3C3CCCCC3)c12 ZINC000000542425 563668402 /nfs/dbraw/zinc/66/84/02/563668402.db2.gz OINHUSSGRKSELU-UHFFFAOYSA-N 0 0 318.384 3.511 50 0 DHAARN CCSc1nc2sc3c(c2c(N)n1)CC(C)(C)SC3 ZINC000000549713 563669846 /nfs/dbraw/zinc/66/98/46/563669846.db2.gz FVAOUHZIMIIITN-UHFFFAOYSA-N 0 0 311.501 3.953 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000562809 563670816 /nfs/dbraw/zinc/67/08/16/563670816.db2.gz LLBRHZZMQGKJGV-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN Brc1cccc([C@H]2CC(c3ccccc3)=NN2)c1 ZINC000000568152 563671457 /nfs/dbraw/zinc/67/14/57/563671457.db2.gz FFAIPLOSAXUGER-OAHLLOKOSA-N 0 0 301.187 3.888 50 0 DHAARN C[C@@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000000572472 563673617 /nfs/dbraw/zinc/67/36/17/563673617.db2.gz BITNFBMDDYSJPX-SNVBAGLBSA-N 0 0 304.752 3.930 50 0 DHAARN COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)[nH]n2)c1 ZINC000051315924 563675156 /nfs/dbraw/zinc/67/51/56/563675156.db2.gz ZSHSVDAXDFPDOY-ZDUSSCGKSA-N 0 0 321.380 3.576 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ccccn1 ZINC000062879590 563675836 /nfs/dbraw/zinc/67/58/36/563675836.db2.gz WASJBMJPKJNSNH-OAHLLOKOSA-N 0 0 300.427 3.612 50 0 DHAARN Cc1cnc(NC(=O)c2csc(NCCC(C)C)n2)s1 ZINC000044900662 563686106 /nfs/dbraw/zinc/68/61/06/563686106.db2.gz MGQSTQJDCCZCIC-UHFFFAOYSA-N 0 0 310.448 3.618 50 0 DHAARN O=C(Cc1ccccc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000044891272 563686111 /nfs/dbraw/zinc/68/61/11/563686111.db2.gz APPAMIBVISBHAY-KRWDZBQOSA-N 0 0 321.380 3.596 50 0 DHAARN CN(C)c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cn1 ZINC000044951571 563687114 /nfs/dbraw/zinc/68/71/14/563687114.db2.gz RAEVOSJIFMMDLE-CYBMUJFWSA-N 0 0 316.430 3.578 50 0 DHAARN COc1ncccc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000044953494 563687134 /nfs/dbraw/zinc/68/71/34/563687134.db2.gz NVGRYNPJKPIFBX-GFCCVEGCSA-N 0 0 303.387 3.521 50 0 DHAARN C[C@H](c1cc(F)ccc1F)N(C)Cc1nnsc1Cl ZINC000044975938 563687644 /nfs/dbraw/zinc/68/76/44/563687644.db2.gz HLEHYWHIZDSIGD-SSDOTTSWSA-N 0 0 303.765 3.663 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000045000388 563687678 /nfs/dbraw/zinc/68/76/78/563687678.db2.gz YTUMFCAPJJYNID-UHFFFAOYSA-N 0 0 323.396 3.868 50 0 DHAARN O=C(Nc1nncs1)N1CCC[C@H]1c1ccccc1Cl ZINC000044973388 563687807 /nfs/dbraw/zinc/68/78/07/563687807.db2.gz CHASQDNSGUKHRG-NSHDSACASA-N 0 0 308.794 3.561 50 0 DHAARN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n(C(C)(C)C)n1 ZINC000045783723 563690087 /nfs/dbraw/zinc/69/00/87/563690087.db2.gz NRAZGGRPGCIGEN-HUUCEWRRSA-N 0 0 315.392 3.828 50 0 DHAARN CCOc1ccccc1Nc1nc2ccccc2nc1C(=O)OC ZINC000045900926 563690719 /nfs/dbraw/zinc/69/07/19/563690719.db2.gz AHMPFHWYQUIAPV-UHFFFAOYSA-N 0 0 323.352 3.559 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 ZINC000045957019 563691121 /nfs/dbraw/zinc/69/11/21/563691121.db2.gz RLXIAWGTESLYDP-DYVFJYSZSA-N 0 0 318.417 3.606 50 0 DHAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccccc1C ZINC000046018224 563691737 /nfs/dbraw/zinc/69/17/37/563691737.db2.gz PTKGUVKZEXDALA-KRWDZBQOSA-N 0 0 315.438 3.829 50 0 DHAARN COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000047711365 563692519 /nfs/dbraw/zinc/69/25/19/563692519.db2.gz HYNZNDQAIAVQQJ-NSHDSACASA-N 0 0 317.345 3.649 50 0 DHAARN O=C(Nc1cccc(-c2nnco2)c1)N1CC[C@H]1c1ccccc1 ZINC000047836983 563692843 /nfs/dbraw/zinc/69/28/43/563692843.db2.gz BAKKRQKTZJLLEO-INIZCTEOSA-N 0 0 320.352 3.716 50 0 DHAARN CCc1ccc(CNC(=O)N[C@@H]2CCOc3ccccc32)s1 ZINC000047867429 563692875 /nfs/dbraw/zinc/69/28/75/563692875.db2.gz HMLWABSMJWOJOT-OAHLLOKOSA-N 0 0 316.426 3.634 50 0 DHAARN COc1cc(-c2ccccc2)sc1C(=O)NCc1ccccn1 ZINC000048189091 563693536 /nfs/dbraw/zinc/69/35/36/563693536.db2.gz QYVOCVAZFSDQCQ-UHFFFAOYSA-N 0 0 324.405 3.749 50 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ZINC000008774887 563950843 /nfs/dbraw/zinc/95/08/43/563950843.db2.gz FYYFJKMKBVXPNL-GOSISDBHSA-N 0 0 312.344 3.532 50 0 DHAARN Cc1c(C(=O)Nc2ccnn2C(C)C)cnn1-c1ccccc1C ZINC000068235881 563951118 /nfs/dbraw/zinc/95/11/18/563951118.db2.gz FTZOTPFWZKOCGP-UHFFFAOYSA-N 0 0 323.400 3.519 50 0 DHAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000008869078 563951146 /nfs/dbraw/zinc/95/11/46/563951146.db2.gz HLVOSCRZNMJRSJ-UHFFFAOYSA-N 0 0 322.364 3.976 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000068782165 563951307 /nfs/dbraw/zinc/95/13/07/563951307.db2.gz HBZJGHOKYVTRDI-GFCCVEGCSA-N 0 0 323.820 3.764 50 0 DHAARN CCSc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cn1 ZINC000068758593 563951322 /nfs/dbraw/zinc/95/13/22/563951322.db2.gz JFTBJDWWQFONQJ-HNNXBMFYSA-N 0 0 313.426 3.566 50 0 DHAARN O=C(NCc1cccn1Cc1ccccc1)Nc1cccc(F)c1 ZINC000008912283 563951328 /nfs/dbraw/zinc/95/13/28/563951328.db2.gz STTCEMOYJHMWFM-UHFFFAOYSA-N 0 0 323.371 3.997 50 0 DHAARN Cc1ccc(-c2cn3c4ccccc4n(CCCO)c3n2)cc1 ZINC000039931201 563951379 /nfs/dbraw/zinc/95/13/79/563951379.db2.gz CCQCDHXKCRTKIC-UHFFFAOYSA-N 0 0 305.381 3.647 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2ccc(CSC)cc2)c1 ZINC000008883509 563951392 /nfs/dbraw/zinc/95/13/92/563951392.db2.gz IPDISCJFVOPCLT-UHFFFAOYSA-N 0 0 317.410 3.819 50 0 DHAARN COc1ccccc1CCNC(=O)Cc1coc2cc(C)ccc12 ZINC000008985100 563951854 /nfs/dbraw/zinc/95/18/54/563951854.db2.gz MNQCOKSHQDOXOV-UHFFFAOYSA-N 0 0 323.392 3.651 50 0 DHAARN Cc1[nH]c2ccccc2c1C1=NNC(=NCc2ccco2)SC1 ZINC000008987604 563951974 /nfs/dbraw/zinc/95/19/74/563951974.db2.gz PTHQOBKVTVYULK-UHFFFAOYSA-N 0 0 324.409 3.666 50 0 DHAARN COc1cccc(C(=O)CSc2ccc(NC(C)=O)cc2)c1 ZINC000009052814 563952035 /nfs/dbraw/zinc/95/20/35/563952035.db2.gz HZPJDOXBGSRBLG-UHFFFAOYSA-N 0 0 315.394 3.629 50 0 DHAARN CC[C@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C)on1 ZINC000009049757 563952066 /nfs/dbraw/zinc/95/20/66/563952066.db2.gz SNGRNBBZGAPWCA-LBPRGKRZSA-N 0 0 311.744 3.605 50 0 DHAARN CCC[C@H](C)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000009113430 563952511 /nfs/dbraw/zinc/95/25/11/563952511.db2.gz NEAVWFNAEGOYKZ-LBPRGKRZSA-N 0 0 318.442 3.666 50 0 DHAARN CCc1nc(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)cs1 ZINC000069366915 563952542 /nfs/dbraw/zinc/95/25/42/563952542.db2.gz MIKMPBAFGQYEMH-JKSUJKDBSA-N 0 0 314.454 3.776 50 0 DHAARN [O-][n+]1ccccc1SCCCCCn1cnc2ccccc21 ZINC000069420109 563952781 /nfs/dbraw/zinc/95/27/81/563952781.db2.gz YFTGXTLWJITJRQ-UHFFFAOYSA-N 0 0 313.426 3.632 50 0 DHAARN Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000069418265 563952796 /nfs/dbraw/zinc/95/27/96/563952796.db2.gz KEHRTTVQMMPZFJ-HNNXBMFYSA-N 0 0 323.396 3.723 50 0 DHAARN Cc1noc(Cl)c1CC(=O)Nc1ccc(C)c2ncccc12 ZINC000069419085 563952813 /nfs/dbraw/zinc/95/28/13/563952813.db2.gz SKBDDJMPAQGITK-UHFFFAOYSA-N 0 0 315.760 3.674 50 0 DHAARN CC(C)[C@H](C)NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000069451487 563953019 /nfs/dbraw/zinc/95/30/19/563953019.db2.gz YEWBVTXGBLFFNM-LBPRGKRZSA-N 0 0 315.373 3.698 50 0 DHAARN COc1ccccc1-c1c[nH]cc1C(=O)NCCc1ccccc1 ZINC000069493615 563953193 /nfs/dbraw/zinc/95/31/93/563953193.db2.gz ZOYORCJEAWJWIV-UHFFFAOYSA-N 0 0 320.392 3.663 50 0 DHAARN Cc1occc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000069537242 563953360 /nfs/dbraw/zinc/95/33/60/563953360.db2.gz IRPMNFPSWPNPKR-UHFFFAOYSA-N 0 0 319.788 3.677 50 0 DHAARN Cc1ccoc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000069581742 563953506 /nfs/dbraw/zinc/95/35/06/563953506.db2.gz RMPHZYVZGMXTJF-UHFFFAOYSA-N 0 0 319.788 3.677 50 0 DHAARN COc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000040540131 563953517 /nfs/dbraw/zinc/95/35/17/563953517.db2.gz JQBLCVPRGCBGAG-UHFFFAOYSA-N 0 0 323.352 3.672 50 0 DHAARN CCc1nc(CN(C)C(=O)C(C)(C)c2ccc(F)cc2)cs1 ZINC000069618859 563953690 /nfs/dbraw/zinc/95/36/90/563953690.db2.gz XTNDVDNRNBXBOP-UHFFFAOYSA-N 0 0 320.433 3.781 50 0 DHAARN O=C1c2ccccc2N[C@H](c2cccnc2)N1c1ccc(F)cc1 ZINC000009157425 563953736 /nfs/dbraw/zinc/95/37/36/563953736.db2.gz KOSJCQGVANJJAR-SFHVURJKSA-N 0 0 319.339 3.992 50 0 DHAARN O=C(c1n[nH]c2ccccc21)N(Cc1ccccc1F)C1CC1 ZINC000009156644 563953787 /nfs/dbraw/zinc/95/37/87/563953787.db2.gz VRSQJXAJCYOROI-UHFFFAOYSA-N 0 0 309.344 3.507 50 0 DHAARN CCc1nnc(S[C@@H](C)c2ccc(OC)c(Cl)c2)n1C ZINC000069620547 563954036 /nfs/dbraw/zinc/95/40/36/563954036.db2.gz IWJBWLSJECYMKG-VIFPVBQESA-N 0 0 311.838 3.893 50 0 DHAARN Cc1nc(C2(NC(=O)Nc3ccc(Cl)cc3)CCCC2)no1 ZINC000069704901 563954300 /nfs/dbraw/zinc/95/43/00/563954300.db2.gz AOMPOLSWGCTHPM-UHFFFAOYSA-N 0 0 320.780 3.622 50 0 DHAARN COCCc1noc(CS[C@@H](C)c2ccccc2Cl)n1 ZINC000069705609 563954303 /nfs/dbraw/zinc/95/43/03/563954303.db2.gz HXEZXWHVCBRAAM-JTQLQIEISA-N 0 0 312.822 3.906 50 0 DHAARN Cc1occc1C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000069775625 563954587 /nfs/dbraw/zinc/95/45/87/563954587.db2.gz XACASHGXYAYAJU-ZDUSSCGKSA-N 0 0 319.332 3.537 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2cccs2)c1C ZINC000009254651 563954650 /nfs/dbraw/zinc/95/46/50/563954650.db2.gz BIBUAXSYXOICKB-NSHDSACASA-N 0 0 304.415 3.729 50 0 DHAARN C[C@H]1CCc2sc3ncn4c(nnc4-c4ccncc4)c3c2C1 ZINC000009303368 563954779 /nfs/dbraw/zinc/95/47/79/563954779.db2.gz AKBDDSSTNOSTJR-JTQLQIEISA-N 0 0 321.409 3.526 50 0 DHAARN Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4F)n3)cc2c1 ZINC000009303609 563954807 /nfs/dbraw/zinc/95/48/07/563954807.db2.gz FFDVUDRHJCSFGX-UHFFFAOYSA-N 0 0 321.311 3.693 50 0 DHAARN OCCn1c(-c2cccs2)cs/c1=N\c1ccccc1 ZINC000009317521 563954904 /nfs/dbraw/zinc/95/49/04/563954904.db2.gz YLNPRXAMUHNQHZ-NXVVXOECSA-N 0 0 302.424 3.503 50 0 DHAARN Cc1cc(NC(=O)c2ccco2)c(C)cc1NC(=O)c1ccco1 ZINC000009314568 563954945 /nfs/dbraw/zinc/95/49/45/563954945.db2.gz KXAYWHKBNLEAKU-UHFFFAOYSA-N 0 0 324.336 3.994 50 0 DHAARN Cc1ccc2oc(C(=O)Nc3ccnn3[C@H](C)C3CC3)cc2n1 ZINC000069902677 563955200 /nfs/dbraw/zinc/95/52/00/563955200.db2.gz QKRHZNVMMVSGEV-LLVKDONJSA-N 0 0 310.357 3.556 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccco1 ZINC000009328428 563955205 /nfs/dbraw/zinc/95/52/05/563955205.db2.gz MODZLDBLIJAVOF-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN COC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000009387135 563955554 /nfs/dbraw/zinc/95/55/54/563955554.db2.gz BODRZXZBGVQBJD-UHFFFAOYSA-N 0 0 311.381 3.730 50 0 DHAARN O=C(Nc1ccsc1)c1ccc(N2CCCCC2=O)cc1 ZINC000070007331 563955561 /nfs/dbraw/zinc/95/55/61/563955561.db2.gz RULBMEHINPWVKB-UHFFFAOYSA-N 0 0 300.383 3.517 50 0 DHAARN CC(C)Cc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000069979397 563955606 /nfs/dbraw/zinc/95/56/06/563955606.db2.gz KJYJYCISMDHLPH-UHFFFAOYSA-N 0 0 304.365 3.504 50 0 DHAARN O=C(NCCCc1nc2ccccc2s1)c1ccccc1F ZINC000009384701 563955673 /nfs/dbraw/zinc/95/56/73/563955673.db2.gz LGSXVMQPGNIHSS-UHFFFAOYSA-N 0 0 314.385 3.798 50 0 DHAARN CC[C@@H](NC(=O)c1ccoc1)c1ccc(Br)cc1 ZINC000009447254 563955987 /nfs/dbraw/zinc/95/59/87/563955987.db2.gz NNDHIYVEVUQWLB-CYBMUJFWSA-N 0 0 308.175 3.923 50 0 DHAARN O=C1CC2(CCCC2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000009448667 563956011 /nfs/dbraw/zinc/95/60/11/563956011.db2.gz NDUDWYSTSKJKBY-UHFFFAOYSA-N 0 0 312.196 3.813 50 0 DHAARN CCC[C@H](CC(=O)N[C@@H]1CCCc2ccccc21)n1ccnc1 ZINC000009467111 563956165 /nfs/dbraw/zinc/95/61/65/563956165.db2.gz CNAKWJOKFULJSJ-SJLPKXTDSA-N 0 0 311.429 3.808 50 0 DHAARN CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C ZINC000009462585 563956204 /nfs/dbraw/zinc/95/62/04/563956204.db2.gz WCBKURNYLFHDIX-UHFFFAOYSA-N 0 0 314.429 3.703 50 0 DHAARN C[C@H](CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000009467625 563956213 /nfs/dbraw/zinc/95/62/13/563956213.db2.gz ITTHKZHBMWXSBG-KGLIPLIRSA-N 0 0 307.397 3.934 50 0 DHAARN CC[C@@H](C)c1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 ZINC000009513359 563956328 /nfs/dbraw/zinc/95/63/28/563956328.db2.gz HMPIGKWSMYOTHM-ACJLOTCBSA-N 0 0 324.432 3.842 50 0 DHAARN O=C(CSc1ccccc1F)NCc1cccc(Cl)c1 ZINC000009513289 563956487 /nfs/dbraw/zinc/95/64/87/563956487.db2.gz JTXGZSAZGONTER-UHFFFAOYSA-N 0 0 309.793 3.888 50 0 DHAARN CCC[C@H]1c2cccn2CCN1C(=O)NCc1ccc(C)cc1 ZINC000009528173 563956634 /nfs/dbraw/zinc/95/66/34/563956634.db2.gz LZQOGJRKXRADNH-SFHVURJKSA-N 0 0 311.429 3.863 50 0 DHAARN Cc1c(C(=O)NC2CCCCC2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000009575898 563956894 /nfs/dbraw/zinc/95/68/94/563956894.db2.gz WJZHAIDAQUQDGY-CYBMUJFWSA-N 0 0 305.418 3.656 50 0 DHAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccco1 ZINC000009609567 563957184 /nfs/dbraw/zinc/95/71/84/563957184.db2.gz ARBOPXSGKBVIHC-UHFFFAOYSA-N 0 0 321.258 3.736 50 0 DHAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1O ZINC000009607145 563957186 /nfs/dbraw/zinc/95/71/86/563957186.db2.gz ATWYWEGGJHXMMU-UHFFFAOYSA-N 0 0 306.365 3.738 50 0 DHAARN Cn1ccc2c1cccc2NC(=O)c1ccc2ccn(C)c2c1 ZINC000070666282 563957203 /nfs/dbraw/zinc/95/72/03/563957203.db2.gz IXMUPWNOCRUKKG-UHFFFAOYSA-N 0 0 303.365 3.922 50 0 biogenic DHAARN Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)c(C)s1 ZINC000009645570 563957260 /nfs/dbraw/zinc/95/72/60/563957260.db2.gz FEBJHQNMGFJQHU-UHFFFAOYSA-N 0 0 314.410 3.509 50 0 DHAARN c1ccc(Nc2nnc(SCc3ccccn3)s2)cc1 ZINC000009641148 563957269 /nfs/dbraw/zinc/95/72/69/563957269.db2.gz BICZMIPAXWCWGL-UHFFFAOYSA-N 0 0 300.412 3.969 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000009726018 563957588 /nfs/dbraw/zinc/95/75/88/563957588.db2.gz LWHKNFJEWSMJDL-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN Cc1csc(SCC(=O)N2CCSc3ccccc32)n1 ZINC000010213155 563958290 /nfs/dbraw/zinc/95/82/90/563958290.db2.gz IYJSXKZOYGYXGT-UHFFFAOYSA-N 0 0 322.480 3.683 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)c2ccc3ncccc3c2)cc1 ZINC000071121720 563957741 /nfs/dbraw/zinc/95/77/41/563957741.db2.gz TXYSRPPWERZLFI-CYBMUJFWSA-N 0 0 306.365 3.734 50 0 DHAARN COc1ccc2cc(CNC(=O)c3ccccc3F)ccc2c1 ZINC000009872343 563957837 /nfs/dbraw/zinc/95/78/37/563957837.db2.gz XKLTZOOGRFEBFL-UHFFFAOYSA-N 0 0 309.340 3.918 50 0 DHAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(N(C)C)c1 ZINC000009919087 563958034 /nfs/dbraw/zinc/95/80/34/563958034.db2.gz SNRAJGCHAQSOMY-CQSZACIVSA-N 0 0 312.413 3.561 50 0 DHAARN COc1ccc2nc(C(=O)Nc3ccccc3OC)ccc2c1 ZINC000009953236 563958206 /nfs/dbraw/zinc/95/82/06/563958206.db2.gz BIWTZBCZVQSWAE-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN CCOC(=O)N1CCC(n2ccnc2-c2sccc2C)CC1 ZINC000071707999 563958310 /nfs/dbraw/zinc/95/83/10/563958310.db2.gz JIWOWTXBMZZLLO-UHFFFAOYSA-N 0 0 319.430 3.713 50 0 DHAARN NC(=S)c1cc2cc(F)ccc2o/c1=N\c1cccc(F)c1 ZINC000010272613 563958318 /nfs/dbraw/zinc/95/83/18/563958318.db2.gz HXAZYPAWNLXBDK-SILNSSARSA-N 0 0 316.332 3.578 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3cc(F)cc(F)c3)n[nH]2)cc1 ZINC000010261566 563958432 /nfs/dbraw/zinc/95/84/32/563958432.db2.gz MTYZSSJHTITUNI-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN Cc1ccc(-c2nc(C(=O)NOCc3ccccc3)cs2)cc1 ZINC000010319092 563958580 /nfs/dbraw/zinc/95/85/80/563958580.db2.gz QSYVEAZFGTVHHR-UHFFFAOYSA-N 0 0 324.405 3.980 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OC(C)C)nc1 ZINC000042828461 563958708 /nfs/dbraw/zinc/95/87/08/563958708.db2.gz GCFCMNXMGGEBLV-UHFFFAOYSA-N 0 0 310.397 3.770 50 0 DHAARN COCCn1ccc2cc(NC(=O)N3CCC[C@H](C)C3)ccc21 ZINC000071803408 563958715 /nfs/dbraw/zinc/95/87/15/563958715.db2.gz BGTIGWZQZAPJRK-AWEZNQCLSA-N 0 0 315.417 3.552 50 0 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DHAARN O=C(NCCc1ccco1)[C@@H](c1ccncc1)C1CCCCC1 ZINC000585090069 1029733999 /nfs/dbraw/zinc/73/39/99/1029733999.db2.gz JSGFEMKQWSHWGC-GOSISDBHSA-N 0 0 312.413 3.697 50 0 DHAARN C[C@@H]([NH2+]Cc1nc(-c2ccccc2Cl)cs1)[C@@H](C)C(=O)[O-] ZINC000585090451 1029735031 /nfs/dbraw/zinc/73/50/31/1029735031.db2.gz OMTUDHWJLUTYFE-NXEZZACHSA-N 0 0 324.833 3.662 50 0 DHAARN C[C@@H](C(=O)[O-])[C@H](C)[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000585090454 1029735213 /nfs/dbraw/zinc/73/52/13/1029735213.db2.gz OMTUDHWJLUTYFE-ZJUUUORDSA-N 0 0 324.833 3.662 50 0 DHAARN Cc1nnc(CN(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)s1 ZINC000585094493 1029737987 /nfs/dbraw/zinc/73/79/87/1029737987.db2.gz QYIRACFTSHVAOS-QMMMGPOBSA-N 0 0 321.837 3.569 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)CC1 ZINC000585121424 1029789143 /nfs/dbraw/zinc/78/91/43/1029789143.db2.gz OYUUHJLZEITYSE-MRXNPFEDSA-N 0 0 323.440 3.956 50 0 DHAARN Cc1ccc(O)c(CNC2(c3c(F)cccc3F)CCC2)n1 ZINC000585123272 1029793825 /nfs/dbraw/zinc/79/38/25/1029793825.db2.gz 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1035179024 /nfs/dbraw/zinc/17/90/24/1035179024.db2.gz CYYJCPPKIJTXPR-DJWKRKHSSA-N 0 0 309.394 3.991 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)cn1C)c1ccccn1 ZINC000065307131 1035288450 /nfs/dbraw/zinc/28/84/50/1035288450.db2.gz GVSMULJGHNWZBH-ZDUSSCGKSA-N 0 0 323.371 3.717 50 0 DHAARN C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1cccs1 ZINC000007444372 1035685872 /nfs/dbraw/zinc/68/58/72/1035685872.db2.gz XLHBALXDTTZKCU-GFCCVEGCSA-N 0 0 322.861 3.711 50 0 DHAARN O=C(/C=C/c1cccc(F)c1)Nc1cccc(-c2nnco2)c1 ZINC000032777329 1035808327 /nfs/dbraw/zinc/80/83/27/1035808327.db2.gz MPSDDUBZIFWPHO-BQYQJAHWSA-N 0 0 309.300 3.528 50 0 DHAARN Cc1ccnn1-c1ccc(C(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000071186446 1036660926 /nfs/dbraw/zinc/66/09/26/1036660926.db2.gz SGNNLXGQSNSLTN-UHFFFAOYSA-N 0 0 316.364 3.914 50 0 DHAARN O=C(OCc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000000460849 1036833499 /nfs/dbraw/zinc/83/34/99/1036833499.db2.gz OTVNTDLXBHRJEU-UHFFFAOYSA-N 0 0 309.134 3.945 50 0 DHAARN CC1(C)Cc2c(sc3[nH]c(-c4cccs4)nc(=O)c23)CO1 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COc1ccc(NC(=O)c2ccc3c4c(cccc42)CC3)cn1 ZINC000014047491 1038844285 /nfs/dbraw/zinc/84/42/85/1038844285.db2.gz BXNAVSVSIFNBQE-UHFFFAOYSA-N 0 0 304.349 3.594 50 0 DHAARN O=C(OCc1ccccc1)c1ccc(Br)cc1F ZINC000058092170 1038915673 /nfs/dbraw/zinc/91/56/73/1038915673.db2.gz JTXNSDOLYAYGAB-UHFFFAOYSA-N 0 0 309.134 3.945 50 0 DHAARN Cc1noc(Cl)c1CCc1nc(-c2ccc(C)cc2)no1 ZINC000172055659 1039721283 /nfs/dbraw/zinc/72/12/83/1039721283.db2.gz MNTPWVOXAHNCHN-UHFFFAOYSA-N 0 0 303.749 3.780 50 0 DHAARN CCCN(C[C@H]1CCOC1)C(=O)Nc1cccc(Cl)c1F ZINC000169762753 1040870722 /nfs/dbraw/zinc/87/07/22/1040870722.db2.gz CUACVXDFUOWGKM-LLVKDONJSA-N 0 0 314.788 3.760 50 0 DHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1c(F)cccc1Cl ZINC000250777930 1041253912 /nfs/dbraw/zinc/25/39/12/1041253912.db2.gz GKTFTFPKBGNPKZ-KMUNFCNLSA-N 0 0 311.784 3.697 50 0 DHAARN Cc1csc(NC(=O)c2nc(Cl)sc2C(C)C)n1 ZINC000095473517 185372822 /nfs/dbraw/zinc/37/28/22/185372822.db2.gz AAIOGVJSNUSWND-UHFFFAOYSA-N 0 0 301.824 3.937 50 0 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O=C(c1ccc(-n2ccnc2)cc1)N1CCCCc2ccccc21 ZINC000076714137 185034694 /nfs/dbraw/zinc/03/46/94/185034694.db2.gz XKUGZFAEPYMCEX-UHFFFAOYSA-N 0 0 317.392 3.855 50 0 DHAARN CC(C)n1ccnc1[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000095519645 185377159 /nfs/dbraw/zinc/37/71/59/185377159.db2.gz IKSVIFIBTYKSOI-INIZCTEOSA-N 0 0 303.450 3.750 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)nn1C ZINC000081854795 192332075 /nfs/dbraw/zinc/33/20/75/192332075.db2.gz YDWFLNVDPWZNFT-MRXNPFEDSA-N 0 0 303.450 3.728 50 0 DHAARN Cc1ccc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)o1 ZINC000096635205 185384838 /nfs/dbraw/zinc/38/48/38/185384838.db2.gz KBISFPIXKMXOQW-XYOKQWHBSA-N 0 0 319.263 3.534 50 0 DHAARN O=C(Nc1cccc(CSC2CCOCC2)c1)c1ccoc1 ZINC000078814115 185113807 /nfs/dbraw/zinc/11/38/07/185113807.db2.gz QDRYEDLHRNYLRR-UHFFFAOYSA-N 0 0 317.410 3.944 50 0 DHAARN CS(=O)(=O)Cc1nc(-c2ccc3ccccc3c2)cs1 ZINC000078869094 185121025 /nfs/dbraw/zinc/12/10/25/185121025.db2.gz OLAWSPJYEJKUBD-UHFFFAOYSA-N 0 0 303.408 3.508 50 0 DHAARN CC[C@@H](NC(=O)N(C)CCc1cccs1)c1nc(C)cs1 ZINC000078952763 185135272 /nfs/dbraw/zinc/13/52/72/185135272.db2.gz VYUSUOOTGQWYJI-CYBMUJFWSA-N 0 0 323.487 3.848 50 0 DHAARN Cc1n[nH]cc1C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000078998262 185143578 /nfs/dbraw/zinc/14/35/78/185143578.db2.gz YCRKCARVGFVPDC-UHFFFAOYSA-N 0 0 306.369 3.583 50 0 DHAARN O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CCCSC1 ZINC000079014495 185146415 /nfs/dbraw/zinc/14/64/15/185146415.db2.gz AVGKVPNUFUKNOM-CYBMUJFWSA-N 0 0 319.455 3.827 50 0 DHAARN CCc1noc(CC)c1CNC(=O)c1oc2ccccc2c1C ZINC000079070159 185153194 /nfs/dbraw/zinc/15/31/94/185153194.db2.gz CPGILTSFMSJJOR-UHFFFAOYSA-N 0 0 312.369 3.784 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(NCc3ccccn3)nc2)cc1 ZINC000079029330 185147506 /nfs/dbraw/zinc/14/75/06/185147506.db2.gz QBDOCAGCTMWMKR-UHFFFAOYSA-N 0 0 318.380 3.649 50 0 DHAARN CSCC(=O)Nc1ccc(OCc2ncc(C(C)C)o2)cc1 ZINC000079097195 185157902 /nfs/dbraw/zinc/15/79/02/185157902.db2.gz FZSQINGOHIHDJR-UHFFFAOYSA-N 0 0 320.414 3.679 50 0 DHAARN Cc1nccc(C(=O)N(C)c2ccccc2Oc2ccccc2)n1 ZINC000079336504 185165711 /nfs/dbraw/zinc/16/57/11/185165711.db2.gz QETYBSZNYFTVEY-UHFFFAOYSA-N 0 0 319.364 3.854 50 0 DHAARN COC(=O)C[C@@H](C)S[C@@H](C)c1nc(-c2cccs2)no1 ZINC000079358956 185166818 /nfs/dbraw/zinc/16/68/18/185166818.db2.gz HEAKVWDNEVQMPN-BDAKNGLRSA-N 0 0 312.416 3.544 50 0 DHAARN Cc1cccnc1[C@H](NC(=O)Cc1noc2ccccc12)C(C)C ZINC000079358159 185166848 /nfs/dbraw/zinc/16/68/48/185166848.db2.gz NXFJRDNCWQFFHL-GOSISDBHSA-N 0 0 323.396 3.587 50 0 DHAARN O=C(c1ncoc1[C@@H]1CCCO1)N1CCCC2(CCCCC2)C1 ZINC000079361846 185167168 /nfs/dbraw/zinc/16/71/68/185167168.db2.gz UFQHEUUBJMARCD-AWEZNQCLSA-N 0 0 318.417 3.713 50 0 DHAARN Cc1nc(C(=O)N2CCCSc3cc(C)ccc32)c(C)o1 ZINC000328599245 231237119 /nfs/dbraw/zinc/23/71/19/231237119.db2.gz QWAGVBREQODFHE-UHFFFAOYSA-N 0 0 302.399 3.742 50 0 DHAARN CN(Cc1ccsc1)C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000096912047 185391298 /nfs/dbraw/zinc/39/12/98/185391298.db2.gz QJJMCAJCFBQWTG-FPLPWBNLSA-N 0 0 323.421 3.606 50 0 DHAARN O=C(/C=C\c1ccc2c(c1)CCO2)Nc1cccc2ncccc21 ZINC000096932009 185392393 /nfs/dbraw/zinc/39/23/93/185392393.db2.gz WOUGLJARUVJMBS-CLFYSBASSA-N 0 0 316.360 3.822 50 0 DHAARN Cc1nc2cc(NC(=O)/C=C\c3ccc4c(c3)CCO4)ccc2o1 ZINC000096932164 185392451 /nfs/dbraw/zinc/39/24/51/185392451.db2.gz OKKZIUWRRRTMJU-CLTKARDFSA-N 0 0 320.348 3.723 50 0 DHAARN CC(C)(C)OC(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000081990558 192350353 /nfs/dbraw/zinc/35/03/53/192350353.db2.gz OIHPOPICHOVJKP-UHFFFAOYSA-N 0 0 301.308 3.999 50 0 DHAARN CSc1ccccc1NCC(=O)Nc1ccc(Cl)cn1 ZINC000096969924 185394651 /nfs/dbraw/zinc/39/46/51/185394651.db2.gz DPEJGOWZBHEILJ-UHFFFAOYSA-N 0 0 307.806 3.508 50 0 DHAARN COc1cc2ncnc(Cl)c2cc1OCc1ccccc1 ZINC000090529507 185300782 /nfs/dbraw/zinc/30/07/82/185300782.db2.gz RQNQROBHHNEDMF-UHFFFAOYSA-N 0 0 300.745 3.871 50 0 DHAARN Cc1cc(C)n(-c2cccc(-c3nccn3C[C@@H]3CCCO3)c2)n1 ZINC000082099780 192355919 /nfs/dbraw/zinc/35/59/19/192355919.db2.gz VYBKPTHIUJFEJC-SFHVURJKSA-N 0 0 322.412 3.532 50 0 DHAARN COc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(F)c1 ZINC000000389394 190613839 /nfs/dbraw/zinc/61/38/39/190613839.db2.gz VTWYGZKGODCKMM-UHFFFAOYSA-N 0 0 316.357 3.686 50 0 DHAARN c1csc(CCNc2ncnc3sc4c(c32)CCC4)c1 ZINC000000137111 190612138 /nfs/dbraw/zinc/61/21/38/190612138.db2.gz REEVVLOFPWRATD-UHFFFAOYSA-N 0 0 301.440 3.896 50 0 DHAARN c1ccc(C(c2nc(-c3cccnn3)no2)c2ccccc2)cc1 ZINC000082119954 192358023 /nfs/dbraw/zinc/35/80/23/192358023.db2.gz XEYLNPKWCNJMKW-UHFFFAOYSA-N 0 0 314.348 3.707 50 0 DHAARN O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCCCCC1 ZINC000006742374 190623535 /nfs/dbraw/zinc/62/35/35/190623535.db2.gz WEROTWQMMJFNAV-UHFFFAOYSA-N 0 0 319.788 3.853 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000006934123 190626725 /nfs/dbraw/zinc/62/67/25/190626725.db2.gz IUVQDLIBHBRHPN-OAHLLOKOSA-N 0 0 317.429 3.570 50 0 DHAARN Cc1ccc(OCCSc2ccc3c(c2)OCCO3)cc1 ZINC000006933892 190625716 /nfs/dbraw/zinc/62/57/16/190625716.db2.gz BSFTTYHPLVZPOB-UHFFFAOYSA-N 0 0 302.395 3.937 50 0 DHAARN C=Cc1ccc(N2CCC(c3nccn3CC3CC3)CC2)nc1 ZINC000082121186 192359086 /nfs/dbraw/zinc/35/90/86/192359086.db2.gz MEGLSKBRTQOJQQ-UHFFFAOYSA-N 0 0 308.429 3.715 50 0 DHAARN COCCC[C@@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC000082139067 192360720 /nfs/dbraw/zinc/36/07/20/192360720.db2.gz WKOSTMNSLRRDED-KRWDZBQOSA-N 0 0 312.413 3.656 50 0 DHAARN CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)Nc1nccs1 ZINC000008907492 190632661 /nfs/dbraw/zinc/63/26/61/190632661.db2.gz NCEYLVBKHPHKQP-LLVKDONJSA-N 0 0 317.414 3.770 50 0 DHAARN CCCn1c(CN2CCC(c3cc[nH]n3)CC2)nc2ccccc21 ZINC000092810776 185342763 /nfs/dbraw/zinc/34/27/63/185342763.db2.gz YUWOFSSZPOWXID-UHFFFAOYSA-N 0 0 323.444 3.549 50 0 DHAARN CC(C)c1nnc(CN2CCC[C@H]2c2ccc(Cl)cc2)n1C ZINC000095393600 185352244 /nfs/dbraw/zinc/35/22/44/185352244.db2.gz XUBUCSWQLNFCNW-HNNXBMFYSA-N 0 0 318.852 3.929 50 0 DHAARN Cc1ccc(-c2nnc(Sc3ccc4nccnc4n3)o2)cc1 ZINC000095395424 185352787 /nfs/dbraw/zinc/35/27/87/185352787.db2.gz AVLGXNOWKREYIL-UHFFFAOYSA-N 0 0 321.365 3.534 50 0 DHAARN CCCCOCC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000095398456 185353548 /nfs/dbraw/zinc/35/35/48/185353548.db2.gz GNWMIPLJZCXKBI-UHFFFAOYSA-N 0 0 302.374 3.714 50 0 DHAARN CCNC(=O)COc1cccc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000095404394 185355512 /nfs/dbraw/zinc/35/55/12/185355512.db2.gz MUOCIXZKELDYGE-ZDUSSCGKSA-N 0 0 316.376 3.514 50 0 DHAARN O=C(c1ccncc1)N(c1cccc2cccnc21)C1CCC1 ZINC000095396379 185353072 /nfs/dbraw/zinc/35/30/72/185353072.db2.gz ZCLJYYWFSZXDKN-UHFFFAOYSA-N 0 0 303.365 3.829 50 0 DHAARN COC(=O)c1ccc(CSc2nncc3ccccc32)s1 ZINC000095411455 185357411 /nfs/dbraw/zinc/35/74/11/185357411.db2.gz ZKEFMCGTNUZHIN-UHFFFAOYSA-N 0 0 316.407 3.770 50 0 DHAARN COc1ccc(Br)cc1C[S@](=O)C1CCCC1 ZINC000095416374 185359065 /nfs/dbraw/zinc/35/90/65/185359065.db2.gz ZBYNKPKSMRQVFX-QGZVFWFLSA-N 0 0 317.248 3.649 50 0 DHAARN Cc1occc1C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000095418203 185359582 /nfs/dbraw/zinc/35/95/82/185359582.db2.gz IPLGWZSFLSGKSH-HOCLYGCPSA-N 0 0 317.385 3.690 50 0 DHAARN O=C(Nc1cc(F)cc(Cl)c1)N1CCC(n2cccn2)CC1 ZINC000095418830 185359828 /nfs/dbraw/zinc/35/98/28/185359828.db2.gz XRBSDYKDXYVMTC-UHFFFAOYSA-N 0 0 322.771 3.545 50 0 DHAARN COc1ccc([C@@H](C)NCc2cccc(OC)c2OC)c(F)c1 ZINC000095420543 185360019 /nfs/dbraw/zinc/36/00/19/185360019.db2.gz HRWQEZSXOZQJOA-GFCCVEGCSA-N 0 0 319.376 3.702 50 0 DHAARN C[C@H](c1cccs1)[S@@](=O)Cc1noc(-c2ccccc2)n1 ZINC000095428099 185362311 /nfs/dbraw/zinc/36/23/11/185362311.db2.gz XHFNFEOSFZWVCM-WSVYEEACSA-N 0 0 318.423 3.808 50 0 DHAARN Cc1ccc([C@@H](C)NCc2cc(O)ccc2Br)o1 ZINC000095428170 185362346 /nfs/dbraw/zinc/36/23/46/185362346.db2.gz DYHMSEFFGOWKJL-SNVBAGLBSA-N 0 0 310.191 3.907 50 0 DHAARN CC(=O)N(Cc1ccc(NCc2ccsc2)cc1)C1CC1 ZINC000095429190 185362514 /nfs/dbraw/zinc/36/25/14/185362514.db2.gz RWGKGRVUHMRMEL-UHFFFAOYSA-N 0 0 300.427 3.871 50 0 DHAARN Cc1ccc(CNc2ccccc2SCCC(N)=O)s1 ZINC000095429043 185362661 /nfs/dbraw/zinc/36/26/61/185362661.db2.gz ZQXNQQQREMRXKM-UHFFFAOYSA-N 0 0 306.456 3.636 50 0 DHAARN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(O)cc1 ZINC000095431709 185363479 /nfs/dbraw/zinc/36/34/79/185363479.db2.gz OKJDFBFLMGDHNB-HUUCEWRRSA-N 0 0 301.411 3.524 50 0 DHAARN CC(C)(C)SCCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000095435998 185364796 /nfs/dbraw/zinc/36/47/96/185364796.db2.gz LLGNAUAIHCXNHL-CQSZACIVSA-N 0 0 309.479 3.775 50 0 DHAARN C[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)c1cnn(C)c1 ZINC000095435699 185364911 /nfs/dbraw/zinc/36/49/11/185364911.db2.gz LBPSEFQGQWSILN-SECBINFHSA-N 0 0 317.742 3.943 50 0 DHAARN O=C(NCc1nc(C2CC2)cs1)Nc1cccc2cccnc21 ZINC000095420780 185360540 /nfs/dbraw/zinc/36/05/40/185360540.db2.gz FYPOHXXAVLGLEX-UHFFFAOYSA-N 0 0 324.409 3.890 50 0 DHAARN O=C(N[C@@H](CCCO)c1ccccc1)c1coc2ccccc12 ZINC000095445723 185367320 /nfs/dbraw/zinc/36/73/20/185367320.db2.gz SPLRIYUGDMUSMN-KRWDZBQOSA-N 0 0 309.365 3.676 50 0 DHAARN Cc1csc(CNc2ccccc2N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000095448626 185368545 /nfs/dbraw/zinc/36/85/45/185368545.db2.gz ZWZRKHDBRVMLKQ-KBPBESRZSA-N 0 0 317.458 3.677 50 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NEVZXPSDRZPLNR-OAHLLOKOSA-N 0 0 313.401 3.727 50 0 DHAARN Fc1ccccc1CCNc1ncnc2cc(F)c(F)cc21 ZINC000140362743 186026549 /nfs/dbraw/zinc/02/65/49/186026549.db2.gz WVVRHDLGKWMQHC-UHFFFAOYSA-N 0 0 303.287 3.702 50 0 DHAARN COCCC[C@@H]1CCCCN1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000072159190 191062831 /nfs/dbraw/zinc/06/28/31/191062831.db2.gz QZSDEEFHYNDNSJ-KRWDZBQOSA-N 0 0 318.417 3.702 50 0 DHAARN Cc1nc(CN2CCC(c3nc4c(cccc4C)[nH]3)CC2)co1 ZINC000072162327 191063344 /nfs/dbraw/zinc/06/33/44/191063344.db2.gz VHHNSKPPMHMJPT-UHFFFAOYSA-N 0 0 310.401 3.547 50 0 DHAARN Fc1cccnc1CN1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000072170248 191068019 /nfs/dbraw/zinc/06/80/19/191068019.db2.gz CDGLVIGTKKYUPD-INIZCTEOSA-N 0 0 324.359 3.608 50 0 DHAARN COc1ccc2oc(-c3ccc(CNC(=O)C(C)C)cc3)nc2c1 ZINC000072193715 191073060 /nfs/dbraw/zinc/07/30/60/191073060.db2.gz CDHBZCOHOANPGX-UHFFFAOYSA-N 0 0 324.380 3.776 50 0 DHAARN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC000072194311 191073267 /nfs/dbraw/zinc/07/32/67/191073267.db2.gz BHMZKFCDJYJFJH-UHFFFAOYSA-N 0 0 319.376 3.681 50 0 DHAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3)n[nH]2)cc1C ZINC000072238572 191082095 /nfs/dbraw/zinc/08/20/95/191082095.db2.gz FRBVAOIQVCEAKM-UHFFFAOYSA-N 0 0 307.353 3.651 50 0 DHAARN Cc1c2ccccc2oc1C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000072242546 191085696 /nfs/dbraw/zinc/08/56/96/191085696.db2.gz YYGSCBMEODLJSP-INIZCTEOSA-N 0 0 321.380 3.647 50 0 DHAARN Cc1c(CNC(=O)c2cccc(-c3cccc(C)c3)c2)cnn1C ZINC000072243303 191086454 /nfs/dbraw/zinc/08/64/54/191086454.db2.gz VDCSLKXWNNOHPN-UHFFFAOYSA-N 0 0 319.408 3.634 50 0 DHAARN Cc1c2ccccc2oc1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000072255963 191088725 /nfs/dbraw/zinc/08/87/25/191088725.db2.gz JEYQZXQPIKWHKU-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN COc1ccccc1Oc1ccc(C(=O)N2CCCCC2)o1 ZINC000072265337 191089545 /nfs/dbraw/zinc/08/95/45/191089545.db2.gz KCDCNIVPHRGPBX-UHFFFAOYSA-N 0 0 301.342 3.707 50 0 DHAARN CC(C)OCc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000072265388 191089928 /nfs/dbraw/zinc/08/99/28/191089928.db2.gz UYWQDQFPAOXBFM-UHFFFAOYSA-N 0 0 323.389 3.552 50 0 DHAARN Cc1ccc(OCC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000072272099 191094771 /nfs/dbraw/zinc/09/47/71/191094771.db2.gz COAUNEVVHCAPGX-OAHLLOKOSA-N 0 0 316.426 3.584 50 0 DHAARN CCc1csc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 ZINC000072282203 191103157 /nfs/dbraw/zinc/10/31/57/191103157.db2.gz KAYGOYRMFZACJN-KGLIPLIRSA-N 0 0 304.459 3.768 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)Nc2ccc(F)cc2C)c1 ZINC000072282510 191103179 /nfs/dbraw/zinc/10/31/79/191103179.db2.gz CXBAWEZALPLJPK-UHFFFAOYSA-N 0 0 301.321 3.737 50 0 DHAARN Cc1cc(COc2cccc(NC(=O)c3ccccc3)c2)on1 ZINC000072283501 191103807 /nfs/dbraw/zinc/10/38/07/191103807.db2.gz UBYFVLBZHCINLD-UHFFFAOYSA-N 0 0 308.337 3.814 50 0 DHAARN Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000072285913 191105201 /nfs/dbraw/zinc/10/52/01/191105201.db2.gz JIBOJCYCBWZKNE-OAHLLOKOSA-N 0 0 300.427 3.748 50 0 DHAARN Cc1csc([C@H]2CCCCN2C(=O)c2cncc(C)c2)n1 ZINC000072298556 191112602 /nfs/dbraw/zinc/11/26/02/191112602.db2.gz DNMZWJPFWCSWQF-CQSZACIVSA-N 0 0 301.415 3.522 50 0 DHAARN CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000072297247 191113021 /nfs/dbraw/zinc/11/30/21/191113021.db2.gz UVSWOGZJPDRWQA-GFCCVEGCSA-N 0 0 304.415 3.879 50 0 DHAARN Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)o1 ZINC000072297479 191113054 /nfs/dbraw/zinc/11/30/54/191113054.db2.gz DQMVYLALFWZXET-CYBMUJFWSA-N 0 0 304.415 3.681 50 0 DHAARN CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1 ZINC000072297257 191113339 /nfs/dbraw/zinc/11/33/39/191113339.db2.gz YMNABLYBUQBHTB-GFCCVEGCSA-N 0 0 303.431 3.614 50 0 DHAARN CCn1ncc2c1CCC[C@@H]2NCc1csc(C(C)C)n1 ZINC000072298463 191113374 /nfs/dbraw/zinc/11/33/74/191113374.db2.gz CLMWUQDHCYYBLP-AWEZNQCLSA-N 0 0 304.463 3.650 50 0 DHAARN Cc1ccc2c(c1)OCCN2Cc1cnc(C(F)(F)F)s1 ZINC000225585335 186280673 /nfs/dbraw/zinc/28/06/73/186280673.db2.gz MYNYFUFNFHJZHA-UHFFFAOYSA-N 0 0 314.332 3.869 50 0 DHAARN O=C(Nc1ccn2nccc2c1)c1cc(Cl)sc1Cl ZINC000225595901 186281665 /nfs/dbraw/zinc/28/16/65/186281665.db2.gz AXCFFPISHMVELZ-UHFFFAOYSA-N 0 0 312.181 3.955 50 0 DHAARN CSc1cccc(F)c1C(=O)Nc1cccc2[nH]cnc21 ZINC000225607406 186282956 /nfs/dbraw/zinc/28/29/56/186282956.db2.gz ILBISPAFSPPWAL-UHFFFAOYSA-N 0 0 301.346 3.676 50 0 DHAARN Cc1cnc(C[S@](=O)Cc2c(Cl)cccc2Cl)cn1 ZINC000225630348 186285277 /nfs/dbraw/zinc/28/52/77/186285277.db2.gz WEDQILWGKOJPKR-IBGZPJMESA-N 0 0 315.225 3.541 50 0 DHAARN O=C(CSC1CCCC1)NCc1cccnc1-c1ccco1 ZINC000225661560 186287846 /nfs/dbraw/zinc/28/78/46/186287846.db2.gz XTQZFOKFIPZAGI-UHFFFAOYSA-N 0 0 316.426 3.634 50 0 DHAARN O=C([C@@H]1CCCC(F)(F)C1)N1CCC(OC2CCCC2)CC1 ZINC000253397500 186305967 /nfs/dbraw/zinc/30/59/67/186305967.db2.gz YYPMUJPRYJTHPE-CYBMUJFWSA-N 0 0 315.404 3.762 50 0 DHAARN CC(C)C[C@H](C(=O)Nc1nc2c(s1)CCC2)n1cccc1 ZINC000253403241 186307268 /nfs/dbraw/zinc/30/72/68/186307268.db2.gz GZHSCAGGFRUIKW-CYBMUJFWSA-N 0 0 303.431 3.659 50 0 DHAARN O=C(c1cccc2ccccc21)N1CC[C@@H](Oc2ccncc2)C1 ZINC000253408445 186308844 /nfs/dbraw/zinc/30/88/44/186308844.db2.gz XYQSCBBPPPLWCS-QGZVFWFLSA-N 0 0 318.376 3.528 50 0 DHAARN CC(C)n1ccc2c1cccc2OCC(=O)Nc1cccc(O)c1 ZINC000253411964 186309844 /nfs/dbraw/zinc/30/98/44/186309844.db2.gz PLCWSSINCPMSDN-UHFFFAOYSA-N 0 0 324.380 3.945 50 0 DHAARN c1coc(-c2ccnc3nc(-c4cc5ccccc5[nH]4)nn32)c1 ZINC000253412917 186309949 /nfs/dbraw/zinc/30/99/49/186309949.db2.gz SLQPMUWYHSKGBW-UHFFFAOYSA-N 0 0 301.309 3.533 50 0 DHAARN CC(C)C[C@@H](CCO)CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000072311634 191120173 /nfs/dbraw/zinc/12/01/73/191120173.db2.gz OLUBUXGZBCSTMM-ZIAGYGMSSA-N 0 0 323.502 3.647 50 0 DHAARN O=C(C1CCOCC1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000084839192 192470937 /nfs/dbraw/zinc/47/09/37/192470937.db2.gz LRAOKTNZEGJBDB-GNISGLHKSA-N 0 0 313.441 3.898 50 0 DHAARN Cc1cccc(-c2n[nH]cc2C(=O)NCCCc2ccccc2)c1 ZINC000072329139 191124391 /nfs/dbraw/zinc/12/43/91/191124391.db2.gz BPYYXJCHVREZHZ-UHFFFAOYSA-N 0 0 319.408 3.748 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)c1c[nH]nc1-c1ccccc1 ZINC000072328816 191124584 /nfs/dbraw/zinc/12/45/84/191124584.db2.gz FDZUMPQOXDBWQD-UHFFFAOYSA-N 0 0 311.772 3.660 50 0 DHAARN CC(C)Oc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 ZINC000072331813 191124984 /nfs/dbraw/zinc/12/49/84/191124984.db2.gz SFROJCOAHDQUNJ-UHFFFAOYSA-N 0 0 320.392 3.952 50 0 DHAARN c1coc([C@@H]2CCCN2Cc2nccn2Cc2ccccc2)c1 ZINC000172026412 198028422 /nfs/dbraw/zinc/02/84/22/198028422.db2.gz CRZUAXGNVOMMGI-KRWDZBQOSA-N 0 0 307.397 3.862 50 0 DHAARN CC1(C)C(=O)O[C@H](c2ccccc2F)C2(CCCCC2)C1=O ZINC000000035150 180673284 /nfs/dbraw/zinc/67/32/84/180673284.db2.gz YVXUIKUJMUUYFV-CQSZACIVSA-N 0 0 304.361 3.969 50 0 DHAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000000037680 180674510 /nfs/dbraw/zinc/67/45/10/180674510.db2.gz FILDOHIGWAFWKQ-UHFFFAOYSA-N 0 0 321.785 3.800 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2nc(-c3ccccn3)cs2)s1 ZINC000072404613 191152114 /nfs/dbraw/zinc/15/21/14/191152114.db2.gz UWURNQPLWKIXGS-UHFFFAOYSA-N 0 0 316.411 3.531 50 0 DHAARN O=C(Nc1cc(F)c(Br)cc1F)c1ccco1 ZINC000000074441 180684557 /nfs/dbraw/zinc/68/45/57/180684557.db2.gz CGDXJBVJRBUAMP-UHFFFAOYSA-N 0 0 302.074 3.573 50 0 DHAARN COc1ccccc1CNc1cc(C(C)C)nc2cc(C)nn21 ZINC000072412080 191156122 /nfs/dbraw/zinc/15/61/22/191156122.db2.gz MJEPVNBHOBJUNI-UHFFFAOYSA-N 0 0 310.401 3.782 50 0 DHAARN Cc1ccc(NCn2nnc3ccccc32)c(Br)c1 ZINC000000097542 180691366 /nfs/dbraw/zinc/69/13/66/180691366.db2.gz JHDHIHLMEIIWTA-UHFFFAOYSA-N 0 0 317.190 3.572 50 0 DHAARN CCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000000098541 180691754 /nfs/dbraw/zinc/69/17/54/180691754.db2.gz BSXIKRNAPJEFID-UHFFFAOYSA-N 0 0 300.383 3.544 50 0 DHAARN CC(C)[C@@H](C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccccc1 ZINC000072423104 191158738 /nfs/dbraw/zinc/15/87/38/191158738.db2.gz KADSUIJRJVZUKV-QGZVFWFLSA-N 0 0 311.429 3.556 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccs1 ZINC000000100691 180692374 /nfs/dbraw/zinc/69/23/74/180692374.db2.gz FDZJIASKZUSBGP-UHFFFAOYSA-N 0 0 312.394 3.684 50 0 DHAARN O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000000102262 180693377 /nfs/dbraw/zinc/69/33/77/180693377.db2.gz WBIAYYHZLRKPOM-JKSUJKDBSA-N 0 0 311.768 3.862 50 0 DHAARN CCc1cc(N[C@@H](C)c2ccc(F)cc2F)n2nccc2n1 ZINC000072425503 191159533 /nfs/dbraw/zinc/15/95/33/191159533.db2.gz VWCYYPWZFMIGTE-JTQLQIEISA-N 0 0 302.328 3.743 50 0 DHAARN O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1 ZINC000000103052 180694018 /nfs/dbraw/zinc/69/40/18/180694018.db2.gz WWXJWDPBDSRVBT-UHFFFAOYSA-N 0 0 312.372 3.977 50 0 DHAARN COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000000107741 180695835 /nfs/dbraw/zinc/69/58/35/180695835.db2.gz ICHDROYLVQEKHY-NSHDSACASA-N 0 0 317.772 3.676 50 0 DHAARN COc1cc(Cl)c(CNC(=O)C2CCCCC2)cc1OC ZINC000072434088 191164431 /nfs/dbraw/zinc/16/44/31/191164431.db2.gz IMVGWZKDLOUGEE-UHFFFAOYSA-N 0 0 311.809 3.554 50 0 DHAARN COc1ccc(-c2n[nH]cc2-c2nc3ccccc3[nH]2)c(F)c1 ZINC000072432189 191164443 /nfs/dbraw/zinc/16/44/43/191164443.db2.gz DBAOKEKWUUXXMB-UHFFFAOYSA-N 0 0 308.316 3.768 50 0 DHAARN O=C(Nc1cccnc1)C1c2ccccc2Oc2ccccc21 ZINC000000117280 180698072 /nfs/dbraw/zinc/69/80/72/180698072.db2.gz JQOJTWXQAXZNNN-UHFFFAOYSA-N 0 0 302.333 3.958 50 0 DHAARN O=C(Nc1cccc(F)c1)c1ccc(Oc2ncccn2)cc1 ZINC000072437122 191165578 /nfs/dbraw/zinc/16/55/78/191165578.db2.gz JTTPQLAAYYIKFO-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ncccn2)c1 ZINC000072437895 191165963 /nfs/dbraw/zinc/16/59/63/191165963.db2.gz BKECRAXZKQSXEG-OAHLLOKOSA-N 0 0 311.385 3.674 50 0 DHAARN O=C(NC1c2ccccc2Oc2ccccc21)c1ccncc1 ZINC000000122005 180700137 /nfs/dbraw/zinc/70/01/37/180700137.db2.gz IHCSGQFLWZJGPY-UHFFFAOYSA-N 0 0 302.333 3.707 50 0 DHAARN COc1ccc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000000135667 180704833 /nfs/dbraw/zinc/70/48/33/180704833.db2.gz YVJMAMMDKUHGQD-GOSISDBHSA-N 0 0 304.349 3.703 50 0 DHAARN COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(C)cc3)c2c1 ZINC000000140687 180706162 /nfs/dbraw/zinc/70/61/62/180706162.db2.gz OFQGMJSMIPGNIW-UHFFFAOYSA-N 0 0 322.408 3.766 50 0 biogenic,in-vitro DHAARN Fc1ccccc1-c1cc(NCc2cccnc2)n2nccc2n1 ZINC000072463332 191173957 /nfs/dbraw/zinc/17/39/57/191173957.db2.gz LCZWDQGMNBRKSA-UHFFFAOYSA-N 0 0 319.343 3.543 50 0 DHAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)OC3)cc1Cl ZINC000000146819 180708175 /nfs/dbraw/zinc/70/81/75/180708175.db2.gz UDPQATVOYHHXGS-UHFFFAOYSA-N 0 0 316.744 3.963 50 0 DHAARN CC(=O)c1ccc(OC(=O)COc2c(C)ccc(C)c2C)cc1 ZINC000000148552 180709032 /nfs/dbraw/zinc/70/90/32/180709032.db2.gz HLXDWKKQIFPHBX-UHFFFAOYSA-N 0 0 312.365 3.799 50 0 DHAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(C)(C)C)CSC2 ZINC000000190330 180720436 /nfs/dbraw/zinc/72/04/36/180720436.db2.gz OJJPULCNKQQIOQ-UHFFFAOYSA-N 0 0 315.442 3.912 50 0 DHAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000000222168 180731364 /nfs/dbraw/zinc/73/13/64/180731364.db2.gz CULKHJRCHPFENE-DLBZAZTESA-N 0 0 308.360 3.872 50 0 DHAARN CCc1cc(=O)oc2cc(OCc3ccccc3OC)ccc12 ZINC000000308124 180755059 /nfs/dbraw/zinc/75/50/59/180755059.db2.gz JJJORQXDDJILOH-UHFFFAOYSA-N 0 0 310.349 3.943 50 0 biogenic DHAARN CC(C)CC(=O)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000000342050 180762069 /nfs/dbraw/zinc/76/20/69/180762069.db2.gz INFRSQHKEBNKFR-UHFFFAOYSA-N 0 0 305.230 3.853 50 0 DHAARN Cc1cccc(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000000372589 180769838 /nfs/dbraw/zinc/76/98/38/180769838.db2.gz ORSSJMWTUUKBIN-UHFFFAOYSA-N 0 0 304.187 3.939 50 0 DHAARN O=C(NC(=S)Nc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000000361170 180766578 /nfs/dbraw/zinc/76/65/78/180766578.db2.gz ZYNUYWVHZRKYBV-UHFFFAOYSA-N 0 0 308.765 3.606 50 0 DHAARN CC(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000433550 180790126 /nfs/dbraw/zinc/79/01/26/180790126.db2.gz OBGNTZVLZGRPPI-CQSZACIVSA-N 0 0 303.427 3.850 50 0 DHAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000000442222 180791906 /nfs/dbraw/zinc/79/19/06/180791906.db2.gz HXKUMBHPLNTMEK-CQSZACIVSA-N 0 0 313.397 3.972 50 0 DHAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1 ZINC000000469422 180800837 /nfs/dbraw/zinc/80/08/37/180800837.db2.gz IDOFVKMMOPJDRL-UHFFFAOYSA-N 0 0 317.776 3.726 50 0 DHAARN O=C(Nc1ccc2ccccc2c1)[C@H]1COc2ccccc2O1 ZINC000000444242 180792902 /nfs/dbraw/zinc/79/29/02/180792902.db2.gz IELRAPZSPQMTOL-GOSISDBHSA-N 0 0 305.333 3.618 50 0 DHAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000000450126 180795036 /nfs/dbraw/zinc/79/50/36/180795036.db2.gz RMLFZLJWPLKKFN-UHFFFAOYSA-N 0 0 320.776 3.785 50 0 DHAARN CC[C@H](Oc1ccccc1)C(=O)NCCc1cccc(Cl)c1 ZINC000000476829 180803040 /nfs/dbraw/zinc/80/30/40/180803040.db2.gz GHNSSIXMRUTWGH-KRWDZBQOSA-N 0 0 317.816 3.856 50 0 DHAARN Clc1cccc(-c2nn3c(nnc3-c3ccncc3)s2)c1 ZINC000000529774 180814867 /nfs/dbraw/zinc/81/48/67/180814867.db2.gz HRHFBZAKRONKEA-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN CC[C@@H](c1nc2ccccc2n1C)[C@H](O)c1ccc(OC)cc1 ZINC000000517019 180811234 /nfs/dbraw/zinc/81/12/34/180811234.db2.gz LFPMEGRUEKPWFX-CRAIPNDOSA-N 0 0 310.397 3.809 50 0 DHAARN CC(=O)N1CCO[C@@H]1c1sc(Cl)c(Cl)c1Cl ZINC000000523301 180812430 /nfs/dbraw/zinc/81/24/30/180812430.db2.gz AMCGHVKUKGHZLM-SECBINFHSA-N 0 0 300.594 3.586 50 0 DHAARN CC(C)c1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 ZINC000000815491 180834742 /nfs/dbraw/zinc/83/47/42/180834742.db2.gz GQXCRQMPKDNXTG-UHFFFAOYSA-N 0 0 313.785 3.635 50 0 DHAARN Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 ZINC000000819392 180835252 /nfs/dbraw/zinc/83/52/52/180835252.db2.gz RPZMRXPUQJHYAU-UHFFFAOYSA-N 0 0 313.382 3.718 50 0 DHAARN CC(=O)c1cn(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc12 ZINC000000614796 180829560 /nfs/dbraw/zinc/82/95/60/180829560.db2.gz SPURGWXPHOCSSY-AWEZNQCLSA-N 0 0 320.392 3.721 50 0 DHAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000001114072 180847218 /nfs/dbraw/zinc/84/72/18/180847218.db2.gz XQWBQNYTFKQZRZ-UHFFFAOYSA-N 0 0 317.776 3.726 50 0 DHAARN COC(=O)[C@H](C(=O)Nc1cccc(Cl)c1C)C1CCCC1 ZINC000001163663 180847836 /nfs/dbraw/zinc/84/78/36/180847836.db2.gz PQMFCKOEKQGINX-AWEZNQCLSA-N 0 0 309.793 3.566 50 0 DHAARN COc1ccc(CCNC(=O)c2ccc3ccccc3c2)cc1 ZINC000001179361 180848649 /nfs/dbraw/zinc/84/86/49/180848649.db2.gz UYDBNSATRIFACE-UHFFFAOYSA-N 0 0 305.377 3.821 50 0 DHAARN S=c1[nH]nc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4 ZINC000001246626 180851524 /nfs/dbraw/zinc/85/15/24/180851524.db2.gz SDAMRZBKXSLWTL-UHFFFAOYSA-N 0 0 324.434 3.783 50 0 DHAARN COc1ccc(SCC(=O)c2c(C)nc3ccccn32)cc1 ZINC000001383995 180857921 /nfs/dbraw/zinc/85/79/21/180857921.db2.gz ZYKCGQXHHUGTOG-UHFFFAOYSA-N 0 0 312.394 3.626 50 0 DHAARN COc1ccccc1OCCCC(=O)N[C@@H](C)c1ccccc1 ZINC000001892990 180900964 /nfs/dbraw/zinc/90/09/64/180900964.db2.gz IDSIHGWHMSVIER-HNNXBMFYSA-N 0 0 313.397 3.732 50 0 DHAARN COCCSc1ccccc1C(=O)NC1CCCCCC1 ZINC000002153599 180912836 /nfs/dbraw/zinc/91/28/36/180912836.db2.gz CNRGZSBDXSMPHZ-UHFFFAOYSA-N 0 0 307.459 3.878 50 0 DHAARN C[C@@H]1CCc2c(sc3ncn4nc(-c5cccnc5)nc4c23)C1 ZINC000002324941 180919109 /nfs/dbraw/zinc/91/91/09/180919109.db2.gz JHZAKFHDNWESRH-SNVBAGLBSA-N 0 0 321.409 3.526 50 0 DHAARN O=C(NCCc1ccccc1)c1cc2c(cn1)[nH]c1ccccc12 ZINC000002123570 180910926 /nfs/dbraw/zinc/91/09/26/180910926.db2.gz GISJKULBPFTPDV-UHFFFAOYSA-N 0 0 315.376 3.689 50 0 biogenic DHAARN CC1(C)Cc2nc(NC(=O)C3CCCCC3)sc2C(=O)C1 ZINC000002482847 180926185 /nfs/dbraw/zinc/92/61/85/180926185.db2.gz IVSBYTKLWXFHIO-UHFFFAOYSA-N 0 0 306.431 3.817 50 0 DHAARN Cc1occc1CN(C)C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000174237084 198309124 /nfs/dbraw/zinc/30/91/24/198309124.db2.gz CBBJTDTWFNBNMV-UHFFFAOYSA-N 0 0 310.397 3.969 50 0 DHAARN Cc1ccc(CN2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 ZINC000002485515 180927334 /nfs/dbraw/zinc/92/73/34/180927334.db2.gz LKGPKSWUKGBKAC-QGZVFWFLSA-N 0 0 301.386 3.908 50 0 DHAARN CCc1ccc(I)c(Br)c1 ZINC000002567831 180935622 /nfs/dbraw/zinc/93/56/22/180935622.db2.gz FYIQMFSUWSUHJQ-UHFFFAOYSA-N 0 0 310.960 3.616 50 0 DHAARN O=C(COc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002582377 180937693 /nfs/dbraw/zinc/93/76/93/180937693.db2.gz IQWXZXVJTHUXDO-UHFFFAOYSA-N 0 0 311.259 3.603 50 0 DHAARN O=C(COc1ccccc1Cc1ccccc1)Nc1nccs1 ZINC000002661071 180945421 /nfs/dbraw/zinc/94/54/21/180945421.db2.gz HLPCBAMPPHDBBD-UHFFFAOYSA-N 0 0 324.405 3.751 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC)c1 ZINC000002659036 180945507 /nfs/dbraw/zinc/94/55/07/180945507.db2.gz LVRDGDGIQZDHSL-UHFFFAOYSA-N 0 0 315.394 3.756 50 0 DHAARN CCc1nnc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 ZINC000002659043 180945577 /nfs/dbraw/zinc/94/55/77/180945577.db2.gz XRVYDRFNNCZVTJ-QMMMGPOBSA-N 0 0 307.444 3.539 50 0 DHAARN CCCCN1C(=O)S/C(=C\c2cccc(OC)c2OC)C1=O ZINC000002827313 180961658 /nfs/dbraw/zinc/96/16/58/180961658.db2.gz XFKWJNKFKMWICX-RAXLEYEMSA-N 0 0 321.398 3.540 50 0 DHAARN Cc1nc(NC(=O)c2cc(-c3cccs3)on2)sc1C ZINC000002802344 180959522 /nfs/dbraw/zinc/95/95/22/180959522.db2.gz SWHJZVFQMAPQBA-UHFFFAOYSA-N 0 0 305.384 3.729 50 0 DHAARN COc1cccc(OC)c1OCCCOc1ccccc1F ZINC000002984011 180973914 /nfs/dbraw/zinc/97/39/14/180973914.db2.gz DXDRJEBSTQXOBM-UHFFFAOYSA-N 0 0 306.333 3.691 50 0 DHAARN CCOc1ccc(OCCOCCOc2ccccc2)cc1 ZINC000002985329 180974128 /nfs/dbraw/zinc/97/41/28/180974128.db2.gz MWGSKARIVUVILE-UHFFFAOYSA-N 0 0 302.370 3.560 50 0 DHAARN O=C(CCSCc1ccccc1F)NCCc1ccccc1 ZINC000003031683 180977935 /nfs/dbraw/zinc/97/79/35/180977935.db2.gz CJSOVEWDZSVBBW-UHFFFAOYSA-N 0 0 317.429 3.808 50 0 DHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)OC ZINC000003194711 180990122 /nfs/dbraw/zinc/99/01/22/180990122.db2.gz UINAUXBKSZQLPW-UHFFFAOYSA-N 0 0 305.355 3.770 50 0 DHAARN CCOCCCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000003208386 180991681 /nfs/dbraw/zinc/99/16/81/180991681.db2.gz KDDHUCMZXRFLDJ-UHFFFAOYSA-N 0 0 315.797 3.850 50 0 DHAARN O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCC1 ZINC000003210229 180991825 /nfs/dbraw/zinc/99/18/25/180991825.db2.gz RGVWRGXYMZSDFE-UHFFFAOYSA-N 0 0 318.398 3.586 50 0 DHAARN O=C(CSc1ccc(Br)cc1)NC1CCCC1 ZINC000003233872 180993702 /nfs/dbraw/zinc/99/37/02/180993702.db2.gz UIDVVTXJVZDLHU-UHFFFAOYSA-N 0 0 314.248 3.600 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1c(Cl)nc2sccn21 ZINC000003235924 180994281 /nfs/dbraw/zinc/99/42/81/180994281.db2.gz SVGQINIIAHIADX-UHFFFAOYSA-N 0 0 321.789 3.619 50 0 DHAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1coc2ccccc2c1=O ZINC000003245319 180995536 /nfs/dbraw/zinc/99/55/36/180995536.db2.gz IUYDSWIXGKYRTC-AUWJEWJLSA-N 0 0 323.735 3.939 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)CSCc1ccco1 ZINC000003258218 180997392 /nfs/dbraw/zinc/99/73/92/180997392.db2.gz IDMBIPWSBSAPMY-CQSZACIVSA-N 0 0 303.427 3.650 50 0 DHAARN Cc1noc(C)c1COC(=O)c1cc(F)c(F)cc1Cl ZINC000003317770 181004261 /nfs/dbraw/zinc/00/42/61/181004261.db2.gz UAOAJLLDYDQIMU-UHFFFAOYSA-N 0 0 301.676 3.580 50 0 DHAARN CN(C)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000003316390 181004367 /nfs/dbraw/zinc/00/43/67/181004367.db2.gz MIXOPAOXSPQSJN-UHFFFAOYSA-N 0 0 307.752 3.902 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000003326791 181005420 /nfs/dbraw/zinc/00/54/20/181005420.db2.gz RWTGIHCINVIKHO-IUODEOHRSA-N 0 0 324.380 3.542 50 0 DHAARN Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1C ZINC000003325653 181005527 /nfs/dbraw/zinc/00/55/27/181005527.db2.gz FBLDLKCGBIMYJK-GOSISDBHSA-N 0 0 315.438 3.659 50 0 DHAARN Cc1ccccc1NC(=O)CSc1ncnc2ccccc21 ZINC000003280587 180999336 /nfs/dbraw/zinc/99/93/36/180999336.db2.gz MKGHHAGWIZFGHX-UHFFFAOYSA-N 0 0 309.394 3.669 50 0 DHAARN CSc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000003326828 181006178 /nfs/dbraw/zinc/00/61/78/181006178.db2.gz NFRIJTRUDJWXSQ-UHFFFAOYSA-N 0 0 300.383 3.619 50 0 DHAARN CC(=O)c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 ZINC000003287977 181000913 /nfs/dbraw/zinc/00/09/13/181000913.db2.gz WVGYEAHKWTUVOL-UHFFFAOYSA-N 0 0 313.328 3.630 50 0 DHAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)NC1CCCCC1 ZINC000003328781 181006191 /nfs/dbraw/zinc/00/61/91/181006191.db2.gz NJBUYYXFZJPOGS-UHFFFAOYSA-N 0 0 320.780 3.844 50 0 DHAARN O=C1Nc2ccccc2S[C@H]1Nc1ccc(F)c(F)c1F ZINC000003327358 181006240 /nfs/dbraw/zinc/00/62/40/181006240.db2.gz SXIVPNHMNZBVJO-CQSZACIVSA-N 0 0 310.300 3.586 50 0 DHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NC(C)(C)C)cc12 ZINC000003314939 181003709 /nfs/dbraw/zinc/00/37/09/181003709.db2.gz ZPBXOTINYKILCV-UHFFFAOYSA-N 0 0 313.426 3.924 50 0 DHAARN Cc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 ZINC000003334495 181007708 /nfs/dbraw/zinc/00/77/08/181007708.db2.gz ZHKWAQVPDVLTLL-UHFFFAOYSA-N 0 0 309.394 3.617 50 0 DHAARN CCCC(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003349626 181009707 /nfs/dbraw/zinc/00/97/07/181009707.db2.gz XKOZEYDPYQKLMP-UHFFFAOYSA-N 0 0 323.698 3.641 50 0 DHAARN C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000003398586 181014954 /nfs/dbraw/zinc/01/49/54/181014954.db2.gz NFNVXNDJQZMHJH-LLVKDONJSA-N 0 0 303.745 3.524 50 0 DHAARN COc1ccc(NC(=O)CCc2ccccc2OC)cc1Cl ZINC000003407468 181015489 /nfs/dbraw/zinc/01/54/89/181015489.db2.gz UOKIRIUUQOZPMF-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN CCOc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc32)cc1 ZINC000003403279 181015798 /nfs/dbraw/zinc/01/57/98/181015798.db2.gz UEERRTNHJSHQOV-UHFFFAOYSA-N 0 0 323.348 3.606 50 0 DHAARN CCc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2O)cc1 ZINC000003403307 181015885 /nfs/dbraw/zinc/01/58/85/181015885.db2.gz OVFUVPGNPQVAFT-UHFFFAOYSA-N 0 0 318.756 3.648 50 0 DHAARN COc1ccccc1[C@H](C)NC(=O)CCOc1cccc(C)c1 ZINC000003417634 181017084 /nfs/dbraw/zinc/01/70/84/181017084.db2.gz KYQVKIWVDRQVOC-HNNXBMFYSA-N 0 0 313.397 3.650 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(C)c2C)cc1 ZINC000003415527 181017088 /nfs/dbraw/zinc/01/70/88/181017088.db2.gz FZHBMPAYXIUXQG-OAHLLOKOSA-N 0 0 311.381 3.796 50 0 DHAARN O=C(Nc1nccs1)c1ncc(Cl)c(Cl)c1Cl ZINC000003454823 181022536 /nfs/dbraw/zinc/02/25/36/181022536.db2.gz IOASTLCWNWRUDM-UHFFFAOYSA-N 0 0 308.577 3.751 50 0 DHAARN O=C(CNCc1ccco1)Nc1ccccc1-c1ccccc1 ZINC000003426959 181018326 /nfs/dbraw/zinc/01/83/26/181018326.db2.gz WSWKTFPVRKWBOX-UHFFFAOYSA-N 0 0 306.365 3.675 50 0 DHAARN COc1ccc(OCCSc2ncnc3sccc32)cc1 ZINC000003432285 181018900 /nfs/dbraw/zinc/01/89/00/181018900.db2.gz XTWVWBMBQRGCDP-UHFFFAOYSA-N 0 0 318.423 3.871 50 0 DHAARN O=C(CCc1nc2ccccc2s1)NCc1cccs1 ZINC000003432435 181018976 /nfs/dbraw/zinc/01/89/76/181018976.db2.gz IMYJUMYLYLBDFQ-UHFFFAOYSA-N 0 0 302.424 3.607 50 0 DHAARN O=C(CSC1CCCC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003440717 181020379 /nfs/dbraw/zinc/02/03/79/181020379.db2.gz JVMLCUZCQVVJRS-UHFFFAOYSA-N 0 0 315.341 3.622 50 0 DHAARN O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1 ZINC000003448206 181021371 /nfs/dbraw/zinc/02/13/71/181021371.db2.gz GFGKJXGFRNRWOF-UHFFFAOYSA-N 0 0 304.349 3.804 50 0 DHAARN CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000003536512 181031171 /nfs/dbraw/zinc/03/11/71/181031171.db2.gz YKKMAYKMRCDTFH-UHFFFAOYSA-N 0 0 318.348 3.776 50 0 DHAARN O=S(=O)(CCCCOc1ccccc1)c1cccc(Cl)c1 ZINC000003470106 181024038 /nfs/dbraw/zinc/02/40/38/181024038.db2.gz OSFQYWPKSHWGFV-UHFFFAOYSA-N 0 0 324.829 3.973 50 0 DHAARN Cc1cc2nnc(SC[C@@H]3CCCCO3)n2c2ccccc12 ZINC000003495886 181026752 /nfs/dbraw/zinc/02/67/52/181026752.db2.gz ALARRBJOTZMJSS-ZDUSSCGKSA-N 0 0 313.426 3.852 50 0 DHAARN COc1ccc(C(C)=O)cc1COc1ccc2ccc(=O)oc2c1 ZINC000003512354 181028767 /nfs/dbraw/zinc/02/87/67/181028767.db2.gz MPTXHXVNJVPDGB-UHFFFAOYSA-N 0 0 324.332 3.583 50 0 DHAARN COc1cccc(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003549545 181032631 /nfs/dbraw/zinc/03/26/31/181032631.db2.gz ORCSRGIBRDVRME-UHFFFAOYSA-N 0 0 309.287 3.895 50 0 DHAARN C[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000003564584 181035071 /nfs/dbraw/zinc/03/50/71/181035071.db2.gz KKZXFHYAKQWHOT-JTQLQIEISA-N 0 0 301.217 3.664 50 0 DHAARN O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)CCC2 ZINC000003605871 181039289 /nfs/dbraw/zinc/03/92/89/181039289.db2.gz DFPSOMQQNKAJKY-UHFFFAOYSA-N 0 0 319.763 3.985 50 0 DHAARN CN(C)c1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 ZINC000003562799 181035431 /nfs/dbraw/zinc/03/54/31/181035431.db2.gz MTPCVBXRAHMPLE-UHFFFAOYSA-N 0 0 323.801 3.507 50 0 DHAARN O=C(COc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003606550 181039366 /nfs/dbraw/zinc/03/93/66/181039366.db2.gz RAIYTDQUGRFQLS-QGZVFWFLSA-N 0 0 315.800 3.913 50 0 DHAARN CCCCCc1nc(=O)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000003613004 181040896 /nfs/dbraw/zinc/04/08/96/181040896.db2.gz PRPIVQKRUAGGIG-UHFFFAOYSA-N 0 0 306.431 3.569 50 0 DHAARN CCOc1ccc(OCCC(=O)Nc2cccc(OC)c2)cc1 ZINC000003607714 181039984 /nfs/dbraw/zinc/03/99/84/181039984.db2.gz YIXLHVYCQNLENJ-UHFFFAOYSA-N 0 0 315.369 3.502 50 0 DHAARN CC(C)c1ncc(C(O)(c2ccccc2)c2ccccc2)n1C ZINC000003876383 181051342 /nfs/dbraw/zinc/05/13/42/181051342.db2.gz GXGQRAABLMMBBA-UHFFFAOYSA-N 0 0 306.409 3.828 50 0 DHAARN O=C(NC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003878137 181051561 /nfs/dbraw/zinc/05/15/61/181051561.db2.gz AMCCYURXYYBUCV-UHFFFAOYSA-N 0 0 314.454 3.716 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000003908493 181056414 /nfs/dbraw/zinc/05/64/14/181056414.db2.gz SPXMCLYTZFOOFM-UHFFFAOYSA-N 0 0 300.339 3.664 50 0 DHAARN Cc1nn(C(=O)[C@@H]2C[C@@H]2c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000004029158 181064332 /nfs/dbraw/zinc/06/43/32/181064332.db2.gz KJKVXVAFPCPJHR-ATNYBXOESA-N 0 0 306.409 3.931 50 0 biogenic DHAARN CSc1cccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c1 ZINC000004033597 181064908 /nfs/dbraw/zinc/06/49/08/181064908.db2.gz KGZRHHGATFNOBR-GFCCVEGCSA-N 0 0 323.421 3.805 50 0 DHAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033423 181064966 /nfs/dbraw/zinc/06/49/66/181064966.db2.gz USLWYPSZNKIMNK-CYBMUJFWSA-N 0 0 323.371 3.716 50 0 DHAARN O=C(COc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004030862 181065045 /nfs/dbraw/zinc/06/50/45/181065045.db2.gz QYPWRKCQNYOKHA-UHFFFAOYSA-N 0 0 319.832 3.804 50 0 DHAARN O=C1Nc2ccccc2/C1=C/c1cnc(N2CCCCC2)s1 ZINC000004051271 181066409 /nfs/dbraw/zinc/06/64/09/181066409.db2.gz ICWVVIDPHHJAQI-UVTDQMKNSA-N 0 0 311.410 3.626 50 0 DHAARN C[C@@H](NC(=O)c1noc2c1CCc1ccccc1-2)c1ccccc1 ZINC000003909417 181057544 /nfs/dbraw/zinc/05/75/44/181057544.db2.gz CFPVHTMIUXGWJK-CYBMUJFWSA-N 0 0 318.376 3.931 50 0 DHAARN O=C(c1cn(Cc2ccccc2F)c2ncccc12)C(F)(F)F ZINC000004050345 181066812 /nfs/dbraw/zinc/06/68/12/181066812.db2.gz DQVXQRIGJKYGJH-UHFFFAOYSA-N 0 0 322.261 3.969 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000003993889 181060628 /nfs/dbraw/zinc/06/06/28/181060628.db2.gz QJZKEMXDPJECSV-CQSZACIVSA-N 0 0 307.440 3.582 50 0 DHAARN O=C(Nc1ccccc1C1(O)C2CC3CC(C2)CC1C3)C1CC1 ZINC000004001917 181061251 /nfs/dbraw/zinc/06/12/51/181061251.db2.gz UNOCMAHFECOGBX-UHFFFAOYSA-N 0 0 311.425 3.679 50 0 DHAARN Cn1cccc1C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004085429 181071044 /nfs/dbraw/zinc/07/10/44/181071044.db2.gz QFRGYAMRJMYSOX-UHFFFAOYSA-N 0 0 320.348 3.639 50 0 DHAARN Brc1ccsc1-c1ccnc(-n2cccc2)n1 ZINC000004088653 181072194 /nfs/dbraw/zinc/07/21/94/181072194.db2.gz BGRACNOQOPFPAX-UHFFFAOYSA-N 0 0 306.188 3.758 50 0 DHAARN COc1ccc(NC(=O)c2ccc(Oc3ncccn3)cc2)cc1 ZINC000004088961 181072205 /nfs/dbraw/zinc/07/22/05/181072205.db2.gz XMUGJPMMHPJRRS-UHFFFAOYSA-N 0 0 321.336 3.530 50 0 DHAARN CSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)S[C@@H](C)C2 ZINC000004108135 181073953 /nfs/dbraw/zinc/07/39/53/181073953.db2.gz KJXODPDOVUZZIB-NSHDSACASA-N 0 0 318.467 3.608 50 0 DHAARN CC(C)(C)N1C(=O)c2ccccc2NC(=O)N1Cc1ccccc1 ZINC000004108569 181074310 /nfs/dbraw/zinc/07/43/10/181074310.db2.gz JEQAKLFZGZAPKP-UHFFFAOYSA-N 0 0 323.396 3.890 50 0 DHAARN O[C@@H](CN(Cc1cccs1)Cc1ccccc1)C(F)(F)F ZINC000004060936 181067930 /nfs/dbraw/zinc/06/79/30/181067930.db2.gz FGUVHDGSLLLXOS-AWEZNQCLSA-N 0 0 315.360 3.674 50 0 DHAARN CCCCc1nnn(-c2nc3c(c(C)n2)CCC3)c1CCCC ZINC000004072992 181069874 /nfs/dbraw/zinc/06/98/74/181069874.db2.gz BMUOKTZASBGOQM-UHFFFAOYSA-N 0 0 313.449 3.540 50 0 DHAARN CCCC(=O)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000004078272 181070382 /nfs/dbraw/zinc/07/03/82/181070382.db2.gz UHKFFLZGCMWSDE-UHFFFAOYSA-N 0 0 311.407 3.708 50 0 DHAARN O=C1c2ccccc2C(=O)N1c1nc(-c2ccccc2)cs1 ZINC000004076662 181070435 /nfs/dbraw/zinc/07/04/35/181070435.db2.gz VBVNHQZHMQAACS-UHFFFAOYSA-N 0 0 306.346 3.611 50 0 DHAARN Cc1cccc(CSC2=NCCN2C(=O)c2cccs2)c1 ZINC000004120242 181075992 /nfs/dbraw/zinc/07/59/92/181075992.db2.gz YISPFFVELYNZTL-UHFFFAOYSA-N 0 0 316.451 3.802 50 0 DHAARN O=C(c1ccco1)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000004120083 181076128 /nfs/dbraw/zinc/07/61/28/181076128.db2.gz YNUYUHJLSGWTKY-UHFFFAOYSA-N 0 0 320.801 3.678 50 0 DHAARN O=C(c1cccs1)N1CCN=C1SCc1cccc(F)c1 ZINC000004119913 181076145 /nfs/dbraw/zinc/07/61/45/181076145.db2.gz QEBXXKVCFDBRPZ-UHFFFAOYSA-N 0 0 320.414 3.632 50 0 DHAARN O=C(C1CCCCC1)N1CCN=C1SCc1cccc(F)c1 ZINC000004119848 181076157 /nfs/dbraw/zinc/07/61/57/181076157.db2.gz SUEKLNWJVKEFGF-UHFFFAOYSA-N 0 0 320.433 3.837 50 0 DHAARN CCCC[S@@](=O)[C@H]1CCCC[C@@H]1OC(=O)c1ccccc1 ZINC000004187950 181083037 /nfs/dbraw/zinc/08/30/37/181083037.db2.gz MJWQPVCTXDHHDO-QYWGDWMGSA-N 0 0 308.443 3.703 50 0 DHAARN Cc1noc(C)c1COC(=O)COc1cc(C)ccc1C(C)C ZINC000004195302 181083746 /nfs/dbraw/zinc/08/37/46/181083746.db2.gz VJUMXKYFLAEBPD-UHFFFAOYSA-N 0 0 317.385 3.845 50 0 DHAARN OCc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000004217282 181085385 /nfs/dbraw/zinc/08/53/85/181085385.db2.gz CREICILGVGNQBH-UHFFFAOYSA-N 0 0 306.361 3.770 50 0 DHAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C1CCCC1 ZINC000004305037 181095463 /nfs/dbraw/zinc/09/54/63/181095463.db2.gz VIVPKWMVEDKLFS-SFHVURJKSA-N 0 0 324.424 3.690 50 0 DHAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2ccco2)S3)c1 ZINC000004268685 181090347 /nfs/dbraw/zinc/09/03/47/181090347.db2.gz ORQRNSBWLNWSPD-CYBMUJFWSA-N 0 0 311.366 3.724 50 0 DHAARN O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000004275570 181090788 /nfs/dbraw/zinc/09/07/88/181090788.db2.gz UQAKMWNUZUOFLT-GFCCVEGCSA-N 0 0 312.350 3.926 50 0 DHAARN CSc1ccc(C)c(C(=O)N2CCO[C@H](c3ccco3)C2)c1 ZINC000176725617 198615151 /nfs/dbraw/zinc/61/51/51/198615151.db2.gz IIRIQCIMCQXRSS-INIZCTEOSA-N 0 0 317.410 3.524 50 0 DHAARN Nc1c(-c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000004290741 181093555 /nfs/dbraw/zinc/09/35/55/181093555.db2.gz AUCFGUZVXRNULP-UHFFFAOYSA-N 0 0 314.186 3.884 50 0 DHAARN O=c1nc2c(c(SCc3ccc(Cl)cc3)[nH]1)CCCC2 ZINC000004317105 181097001 /nfs/dbraw/zinc/09/70/01/181097001.db2.gz XUWVATPWAXATIU-UHFFFAOYSA-N 0 0 306.818 3.594 50 0 DHAARN CCCC(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000004328636 181098694 /nfs/dbraw/zinc/09/86/94/181098694.db2.gz XEKKHGGVFKYFBH-UHFFFAOYSA-N 0 0 311.407 3.708 50 0 DHAARN COC(=O)c1cccc(COC(=O)c2cc3ccccc3o2)c1 ZINC000004332641 181099130 /nfs/dbraw/zinc/09/91/30/181099130.db2.gz RHJWXRXNMVIYKX-UHFFFAOYSA-N 0 0 310.305 3.576 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)Nc1nnc(C2CC2)s1 ZINC000004333967 181099254 /nfs/dbraw/zinc/09/92/54/181099254.db2.gz UQQXXYQECKMUEF-UHFFFAOYSA-N 0 0 324.793 3.722 50 0 DHAARN COc1ccc([C@H]2CN=N[C@]23CSc2ccccc2C3=O)cc1 ZINC000004343141 181100460 /nfs/dbraw/zinc/10/04/60/181100460.db2.gz ISWBTKVAZFJCLA-CRAIPNDOSA-N 0 0 324.405 3.972 50 0 DHAARN COc1ccc([C@H]2CN=N[C@@]23CSc2ccccc2C3=O)cc1 ZINC000004343139 181100566 /nfs/dbraw/zinc/10/05/66/181100566.db2.gz ISWBTKVAZFJCLA-QAPCUYQASA-N 0 0 324.405 3.972 50 0 DHAARN Cc1c2ccccc2oc1C(=O)OCC(=O)c1cccs1 ZINC000004463013 181110408 /nfs/dbraw/zinc/11/04/08/181110408.db2.gz OCUYUSJDJQIXID-UHFFFAOYSA-N 0 0 300.335 3.842 50 0 DHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 ZINC000004377590 181104478 /nfs/dbraw/zinc/10/44/78/181104478.db2.gz CDAVCIQKORJVFJ-OXHMUOHRSA-N 0 0 312.196 3.919 50 0 DHAARN CCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000004384999 181104987 /nfs/dbraw/zinc/10/49/87/181104987.db2.gz ZZJLAQCZNZGXDR-UHFFFAOYSA-N 0 0 313.445 3.685 50 0 DHAARN COc1cccc(NC(=O)c2cc(Br)ccc2F)c1 ZINC000004541919 181121835 /nfs/dbraw/zinc/12/18/35/181121835.db2.gz RVZQJLOOWDVZAQ-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN CC[C@H](c1nn2c(nnc2-c2cccnc2)s1)c1ccccc1 ZINC000004511754 181117466 /nfs/dbraw/zinc/11/74/66/181117466.db2.gz ZIQXNLKXNAOZRK-AWEZNQCLSA-N 0 0 321.409 3.790 50 0 DHAARN COc1ccccc1/C=C/C1=N/C(=C\c2cccc(F)c2)C(=O)O1 ZINC000004509378 181117677 /nfs/dbraw/zinc/11/76/77/181117677.db2.gz AWVVGQUIEDXSBU-KDNHCMJDSA-N 0 0 323.323 3.844 50 0 DHAARN COc1cccc(-c2nn3c(nnc3-c3cccs3)s2)c1 ZINC000004511848 181118092 /nfs/dbraw/zinc/11/80/92/181118092.db2.gz PNAPEMAREIYPRI-UHFFFAOYSA-N 0 0 314.395 3.590 50 0 DHAARN COc1ccc(-c2nn3c(nnc3-c3cccs3)s2)cc1 ZINC000004511849 181118273 /nfs/dbraw/zinc/11/82/73/181118273.db2.gz RRPSRQHLLCRCPG-UHFFFAOYSA-N 0 0 314.395 3.590 50 0 DHAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccn2C)N3)C1 ZINC000004571586 181126081 /nfs/dbraw/zinc/12/60/81/181126081.db2.gz QXCAKQZLDRSSMA-XPTSAGLGSA-N 0 0 301.415 3.640 50 0 DHAARN CCc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 ZINC000004663521 181133567 /nfs/dbraw/zinc/13/35/67/181133567.db2.gz BLNMTXVGIHMRHK-UHFFFAOYSA-N 0 0 302.374 3.515 50 0 DHAARN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004667101 181133989 /nfs/dbraw/zinc/13/39/89/181133989.db2.gz AEXPCUOCUOTZML-JOYOIKCWSA-N 0 0 322.257 3.850 50 0 DHAARN O=C(Nc1ccc(Br)cc1F)c1ccccc1F ZINC000004666151 181134189 /nfs/dbraw/zinc/13/41/89/181134189.db2.gz WRGYNJRRWLTZGW-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN CC1=CC[C@H]2C(=O)N(CC34CC5CC(CC(C5)C3)C4)C(=O)[C@H]2C1 ZINC000004698253 181138529 /nfs/dbraw/zinc/13/85/29/181138529.db2.gz ZZNPGQANDYFMNC-YXYZJKKLSA-N 0 0 313.441 3.544 50 0 DHAARN CCN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O ZINC000004699952 181138979 /nfs/dbraw/zinc/13/89/79/181138979.db2.gz YLCDOZJMDAWGJV-ACCUITESSA-N 0 0 320.414 3.716 50 0 DHAARN Cc1ccccc1Nc1nc(C(=O)NCCC(C)C)cs1 ZINC000004687861 181136966 /nfs/dbraw/zinc/13/69/66/181136966.db2.gz YHRNTYGAGGMCJY-UHFFFAOYSA-N 0 0 303.431 3.971 50 0 DHAARN Cc1c2c(c(C)n1-c1ccc(Cl)c(N)c1)c(C)nnc2C ZINC000004708387 181140690 /nfs/dbraw/zinc/14/06/90/181140690.db2.gz NFNRDEYRYGWFCZ-UHFFFAOYSA-N 0 0 300.793 3.890 50 0 DHAARN CCOC(=O)Cc1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000004727592 181143919 /nfs/dbraw/zinc/14/39/19/181143919.db2.gz QPEPCXOWHGQMPS-UHFFFAOYSA-N 0 0 311.381 3.607 50 0 DHAARN CCN1C(=S)N=NC1c1cc2cc(Br)ccc2o1 ZINC000004739042 181144712 /nfs/dbraw/zinc/14/47/12/181144712.db2.gz RORFABJPHNOSBO-UHFFFAOYSA-N 0 0 324.203 3.762 50 0 DHAARN CCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000004740607 181145193 /nfs/dbraw/zinc/14/51/93/181145193.db2.gz FFZNHDIDJVTXRB-UHFFFAOYSA-N 0 0 302.761 3.941 50 0 DHAARN Cn1c2ccccc2nc1NCc1cc(-c2ccccc2)n[nH]1 ZINC000004741732 181145342 /nfs/dbraw/zinc/14/53/42/181145342.db2.gz PLRXNKHHXOVADZ-UHFFFAOYSA-N 0 0 303.369 3.576 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nccnc2c1 ZINC000004744763 181147168 /nfs/dbraw/zinc/14/71/68/181147168.db2.gz GZAZINRCHQAMBI-UHFFFAOYSA-N 0 0 317.270 3.901 50 0 DHAARN O=C(Nc1c2nsnc2ccc1Cl)c1ccc(F)cc1 ZINC000004783875 181152057 /nfs/dbraw/zinc/15/20/57/181152057.db2.gz BGEIULZJOXWAQB-UHFFFAOYSA-N 0 0 307.737 3.736 50 0 DHAARN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000004809663 181154443 /nfs/dbraw/zinc/15/44/43/181154443.db2.gz ZTGCHNAWFPEMJY-UHFFFAOYSA-N 0 0 302.761 3.859 50 0 DHAARN O=S(=O)(Cc1ccccc1Cl)Nc1ccccc1Cl ZINC000004814464 181155122 /nfs/dbraw/zinc/15/51/22/181155122.db2.gz YFJOYXWLSVRJDG-UHFFFAOYSA-N 0 0 316.209 3.935 50 0 DHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000004815691 181156182 /nfs/dbraw/zinc/15/61/82/181156182.db2.gz ANGJFFCVXZGNOQ-LLVKDONJSA-N 0 0 320.186 3.855 50 0 DHAARN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)c1ccccc1 ZINC000004828867 181158076 /nfs/dbraw/zinc/15/80/76/181158076.db2.gz ISHWBUAOQSMMDZ-OAHLLOKOSA-N 0 0 311.381 3.914 50 0 DHAARN COc1cc(C(=O)Nc2cccc(F)c2)cc(Cl)c1OC ZINC000004834998 181159283 /nfs/dbraw/zinc/15/92/83/181159283.db2.gz GGGPLOIIMJCBRL-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN CCCCNC(=O)c1ccccc1NC(=O)C1CCCCC1 ZINC000004834675 181159330 /nfs/dbraw/zinc/15/93/30/181159330.db2.gz LATDRLCMGRPYLV-UHFFFAOYSA-N 0 0 302.418 3.735 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000004857747 181164667 /nfs/dbraw/zinc/16/46/67/181164667.db2.gz ZEZANOBSZGEPLN-UHFFFAOYSA-N 0 0 310.397 3.776 50 0 DHAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)c1cccs1 ZINC000004894851 181169131 /nfs/dbraw/zinc/16/91/31/181169131.db2.gz QSLWMECZNBCCKV-UHFFFAOYSA-N 0 0 301.396 3.508 50 0 DHAARN O=C(CCCC(=O)NC1CCCCCC1)NC1CCCCCC1 ZINC000004904290 181170793 /nfs/dbraw/zinc/17/07/93/181170793.db2.gz KRNAOWXWZFCEJK-UHFFFAOYSA-N 0 0 322.493 3.835 50 0 DHAARN Cc1cc(NC(=O)c2cccc(C)c2)nn1Cc1ccc(F)cc1 ZINC000004867900 181165986 /nfs/dbraw/zinc/16/59/86/181165986.db2.gz UZGVQKHJATVCSU-UHFFFAOYSA-N 0 0 323.371 3.940 50 0 DHAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)[C@H]1CCCO1 ZINC000004869843 181166534 /nfs/dbraw/zinc/16/65/34/181166534.db2.gz SIIIDWYBSUAGAC-QGZVFWFLSA-N 0 0 322.364 3.921 50 0 DHAARN O=C1c2ccccc2[C@@H](Nc2ccccc2F)N1c1cccnc1 ZINC000004918001 181172933 /nfs/dbraw/zinc/17/29/33/181172933.db2.gz WOFGYLUMAHHYBF-SFHVURJKSA-N 0 0 319.339 3.992 50 0 aggregator DHAARN Cc1csc(SCc2nc(=O)c3c(C)c(C)sc3[nH]2)n1 ZINC000004938671 181175648 /nfs/dbraw/zinc/17/56/48/181175648.db2.gz LOYXADWSGFUSCJ-UHFFFAOYSA-N 0 0 323.468 3.659 50 0 DHAARN Cc1noc(C)c1CSc1nnc(-c2ccccc2F)n1C ZINC000004947070 181177444 /nfs/dbraw/zinc/17/74/44/181177444.db2.gz FDOYMZWHUORHBE-UHFFFAOYSA-N 0 0 318.377 3.518 50 0 DHAARN C[C@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc21 ZINC000004943290 181177069 /nfs/dbraw/zinc/17/70/69/181177069.db2.gz PPNRSCSNOMKYNH-LBPRGKRZSA-N 0 0 301.773 3.697 50 0 DHAARN CCCN1Cc2cccc(C(=O)Nc3ccccc3C)c2C1=O ZINC000004960942 181179671 /nfs/dbraw/zinc/17/96/71/181179671.db2.gz DQGLFKFMYKIMCA-UHFFFAOYSA-N 0 0 308.381 3.613 50 0 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CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000020116502 182188525 /nfs/dbraw/zinc/18/85/25/182188525.db2.gz AEUBOHBPZXIFOI-UHFFFAOYSA-N 0 0 311.385 3.859 50 0 DHAARN CCOC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020230162 182199658 /nfs/dbraw/zinc/19/96/58/182199658.db2.gz SSAGRVCTRUDKJH-UHFFFAOYSA-N 0 0 322.408 3.531 50 0 DHAARN O=C(c1ccc([C@@H]2CCCO2)s1)N1CCc2ccccc2C1 ZINC000097674070 193745601 /nfs/dbraw/zinc/74/56/01/193745601.db2.gz DMRREXWKXYLDRV-HNNXBMFYSA-N 0 0 313.422 3.798 50 0 DHAARN O=C(CCc1ccco1)Nc1ccc(F)cc1Br ZINC000020430174 182216520 /nfs/dbraw/zinc/21/65/20/182216520.db2.gz XQWCHMKGTCMLQA-UHFFFAOYSA-N 0 0 312.138 3.753 50 0 DHAARN O=C(NCc1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000020457878 182220318 /nfs/dbraw/zinc/22/03/18/182220318.db2.gz OVBSLJKDWWQEGR-UHFFFAOYSA-N 0 0 323.165 3.910 50 0 DHAARN Cc1ccc(-c2c(=O)c(=O)c2N[C@H]2CCCc3ccccc32)cc1 ZINC000020509242 182225774 /nfs/dbraw/zinc/22/57/74/182225774.db2.gz JKGLUPOJVUNKBR-KRWDZBQOSA-N 0 0 317.388 3.748 50 0 DHAARN 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DHAARN O=C(c1cccc2c1SCCC2=O)N1CCc2ccccc2C1 ZINC000021103106 182265253 /nfs/dbraw/zinc/26/52/53/182265253.db2.gz PYHWDUVVWMHZGQ-UHFFFAOYSA-N 0 0 323.417 3.564 50 0 DHAARN COC(=O)c1cc(Br)cc(OCc2ccccc2)c1 ZINC000097756803 193753824 /nfs/dbraw/zinc/75/38/24/193753824.db2.gz XRXQMBJXLSNIJJ-UHFFFAOYSA-N 0 0 321.170 3.815 50 0 DHAARN COc1ccc2c(c1)C[C@@H](C(=O)Nc1cc(C)cc(C)c1)CO2 ZINC000021094994 182264608 /nfs/dbraw/zinc/26/46/08/182264608.db2.gz CTVNFSVFXHNMCZ-OAHLLOKOSA-N 0 0 311.381 3.502 50 0 DHAARN Cc1cc(C)n(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000020989201 182257756 /nfs/dbraw/zinc/25/77/56/182257756.db2.gz VEWZOWKNXHEDNZ-UHFFFAOYSA-N 0 0 311.307 3.548 50 0 DHAARN O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1 ZINC000020997211 182257892 /nfs/dbraw/zinc/25/78/92/182257892.db2.gz IIGWFJPHOPHQEF-MRXNPFEDSA-N 0 0 310.422 3.846 50 0 DHAARN COc1ccc(Nc2nc(-c3ccccc3F)no2)cc1OC ZINC000020996763 182258386 /nfs/dbraw/zinc/25/83/86/182258386.db2.gz MSJKFETUICKZJA-UHFFFAOYSA-N 0 0 315.304 3.637 50 0 DHAARN 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CN(C(=O)c1ccc(F)cc1F)C1C2CC3CC(C2)CC1C3 ZINC000032809907 182666061 /nfs/dbraw/zinc/66/60/61/182666061.db2.gz UIJFIWUEIPWMGB-UHFFFAOYSA-N 0 0 305.368 3.862 50 0 DHAARN Cn1c2c(cccc2F)s/c1=N\C(=O)c1ccccc1Cl ZINC000100909169 193806101 /nfs/dbraw/zinc/80/61/01/193806101.db2.gz XBKDLWQSNZMNNC-SDXDJHTJSA-N 0 0 320.776 3.773 50 0 DHAARN COc1ccc2cc3c(=O)n(-c4cccc(C)c4C)nc-3oc2c1 ZINC000033020908 182688733 /nfs/dbraw/zinc/68/87/33/182688733.db2.gz UGOSFCHFYZWMHJ-UHFFFAOYSA-N 0 0 320.348 3.709 50 0 DHAARN CC[C@H](CO)Nc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000033012211 182688849 /nfs/dbraw/zinc/68/88/49/182688849.db2.gz VBAGMEPNGHEIAS-GFCCVEGCSA-N 0 0 317.389 3.680 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)N1CCc2ccccc2C1 ZINC000032924023 182681365 /nfs/dbraw/zinc/68/13/65/182681365.db2.gz NATZNQYLDMRGGV-UHFFFAOYSA-N 0 0 300.427 3.773 50 0 DHAARN O=C(Cc1ccccc1F)Nc1ccc(Oc2cnccn2)cc1 ZINC000032930787 182681941 /nfs/dbraw/zinc/68/19/41/182681941.db2.gz PWMPIGATSYGEGI-UHFFFAOYSA-N 0 0 323.327 3.589 50 0 DHAARN CCc1nc(-c2ccc(C(=O)N(C)c3ccc(C)cc3)cc2)no1 ZINC000033254254 182697697 /nfs/dbraw/zinc/69/76/97/182697697.db2.gz RYVGYMVTVKPKJQ-UHFFFAOYSA-N 0 0 321.380 3.884 50 0 DHAARN Cc1nc(-c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)no1 ZINC000033254177 182697785 /nfs/dbraw/zinc/69/77/85/182697785.db2.gz XATANXZLYSWHEB-GFCCVEGCSA-N 0 0 319.364 3.636 50 0 DHAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C)cn3)cc2)no1 ZINC000033257325 182698235 /nfs/dbraw/zinc/69/82/35/182698235.db2.gz BKMRUHKJGJXNHP-UHFFFAOYSA-N 0 0 323.356 3.646 50 0 DHAARN O=C(c1cccc(-c2noc(-c3ccccc3)n2)c1)N1CCCC1 ZINC000033257823 182698595 /nfs/dbraw/zinc/69/85/95/182698595.db2.gz JZVOXYHHZXLSOJ-UHFFFAOYSA-N 0 0 319.364 3.640 50 0 DHAARN CC(C)c1cc([C@H]2CCCN2C(=O)Cc2ccccc2F)on1 ZINC000033270072 182699063 /nfs/dbraw/zinc/69/90/63/182699063.db2.gz RFJDJAJRHRZZSY-MRXNPFEDSA-N 0 0 316.376 3.843 50 0 DHAARN CCn1nc(-c2cccc(F)c2)cc1C(=O)NC1CCCCC1 ZINC000034903543 182742500 /nfs/dbraw/zinc/74/25/00/182742500.db2.gz HSBKMMXOAYMCRO-UHFFFAOYSA-N 0 0 315.392 3.772 50 0 DHAARN CC(C)CNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000034902088 182742734 /nfs/dbraw/zinc/74/27/34/182742734.db2.gz ZVSYKUGRQYXMJC-UHFFFAOYSA-N 0 0 313.445 3.770 50 0 DHAARN COc1ccc(-c2nc(COc3cc(C)ccc3F)no2)cc1 ZINC000034906906 182742833 /nfs/dbraw/zinc/74/28/33/182742833.db2.gz IUUIGMKXZBYUIC-UHFFFAOYSA-N 0 0 314.316 3.772 50 0 DHAARN COc1cccc(-c2ccc(C(=O)N(C)Cc3ccco3)cn2)c1 ZINC000035925295 182789872 /nfs/dbraw/zinc/78/98/72/182789872.db2.gz WWIPGKVIRMORHS-UHFFFAOYSA-N 0 0 322.364 3.622 50 0 DHAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)ncn4C)no2)cc1 ZINC000035453289 182775451 /nfs/dbraw/zinc/77/54/51/182775451.db2.gz BBNDTDVDICUVMC-UHFFFAOYSA-N 0 0 320.352 3.689 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)no1 ZINC000035556578 182780075 /nfs/dbraw/zinc/78/00/75/182780075.db2.gz OADIGEPDCTVSOZ-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN C[C@H](Sc1cccc[n+]1[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036806353 182844559 /nfs/dbraw/zinc/84/45/59/182844559.db2.gz ZGJCNMVAQZZCHM-IHWZXDPASA-N 0 0 317.454 3.586 50 0 DHAARN C[C@H](Cc1ccccc1Cl)NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000036393969 182824009 /nfs/dbraw/zinc/82/40/09/182824009.db2.gz VPYGOURQJVQYOU-RNCFNFMXSA-N 0 0 320.647 3.971 50 0 DHAARN COC(=O)c1cc(Cl)c2c(F)ccc(Br)c2n1 ZINC000038537280 183001585 /nfs/dbraw/zinc/00/15/85/183001585.db2.gz YMMWGEUTLGBMQW-UHFFFAOYSA-N 0 0 318.529 3.576 50 0 DHAARN COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000038567178 183003020 /nfs/dbraw/zinc/00/30/20/183003020.db2.gz NGYPAEXMFPNOIA-AWEZNQCLSA-N 0 0 315.800 3.978 50 0 DHAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc2ccccc2n1 ZINC000038717050 183007402 /nfs/dbraw/zinc/00/74/02/183007402.db2.gz ORHBPZKCNZKBOB-UHFFFAOYSA-N 0 0 314.348 3.877 50 0 DHAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCOc2ccccc2)o1 ZINC000040012195 183027124 /nfs/dbraw/zinc/02/71/24/183027124.db2.gz BYKAEDFNNPXLPM-WMLDXEAASA-N 0 0 313.397 3.531 50 0 DHAARN CC(=O)c1cccc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000040005405 183027409 /nfs/dbraw/zinc/02/74/09/183027409.db2.gz RPQBOKGMJFXCFG-LSDHHAIUSA-N 0 0 324.424 3.610 50 0 DHAARN CC(=O)Nc1ccc(OC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000040012171 183027518 /nfs/dbraw/zinc/02/75/18/183027518.db2.gz ZTCKPIYJBAWRCU-UHFFFAOYSA-N 0 0 322.320 3.519 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc21 ZINC000040034729 183029280 /nfs/dbraw/zinc/02/92/80/183029280.db2.gz IQUBSQGYBVEICN-LALPHHSUSA-N 0 0 315.417 3.901 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000040049530 183029744 /nfs/dbraw/zinc/02/97/44/183029744.db2.gz NVXJNSIJVMBRGZ-WFASDCNBSA-N 0 0 304.390 3.564 50 0 DHAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(C)n3)cc2)cs1 ZINC000040051487 183029902 /nfs/dbraw/zinc/02/99/02/183029902.db2.gz VJMRLCYIGNHYGO-UHFFFAOYSA-N 0 0 323.421 3.752 50 0 DHAARN COc1ccc([C@@H]2CCCN2Cc2nc(C(C)(C)C)no2)cc1 ZINC000040066909 183030482 /nfs/dbraw/zinc/03/04/82/183030482.db2.gz TXHISLOTSPFLTO-HNNXBMFYSA-N 0 0 315.417 3.713 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc21 ZINC000040069712 183030827 /nfs/dbraw/zinc/03/08/27/183030827.db2.gz OTJAKWKPACYPGG-DGCLKSJQSA-N 0 0 301.390 3.655 50 0 DHAARN C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccn1 ZINC000039517188 183019456 /nfs/dbraw/zinc/01/94/56/183019456.db2.gz UYQFZCLZXJNFRQ-GFCCVEGCSA-N 0 0 309.394 3.696 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1onc2c1CCCC2 ZINC000039933038 183023282 /nfs/dbraw/zinc/02/32/82/183023282.db2.gz IRFKGEPURYCNLE-UHFFFAOYSA-N 0 0 310.275 3.825 50 0 DHAARN CCOC(=O)c1c(C)onc1-c1ccc(Br)cc1 ZINC000039956247 183024473 /nfs/dbraw/zinc/02/44/73/183024473.db2.gz NRIXSBIOTXLVAC-UHFFFAOYSA-N 0 0 310.147 3.589 50 0 DHAARN Cc1ccc2c(CC(=O)N3c4ccnn4[C@@H](C)C[C@@H]3C)coc2c1 ZINC000040146285 183040199 /nfs/dbraw/zinc/04/01/99/183040199.db2.gz ABMQPIVSRCGOIX-KBPBESRZSA-N 0 0 323.396 3.867 50 0 DHAARN CN(Cc1nc(Cc2ccccc2)no1)[C@H]1CCc2ccccc21 ZINC000040153525 183040674 /nfs/dbraw/zinc/04/06/74/183040674.db2.gz XVZUDRUGBJEOBK-SFHVURJKSA-N 0 0 319.408 3.780 50 0 DHAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2NC[C@@H]1CCCO1 ZINC000040216656 183046290 /nfs/dbraw/zinc/04/62/90/183046290.db2.gz LEWMNLISQSDLGH-INIZCTEOSA-N 0 0 322.412 3.604 50 0 DHAARN COc1ccc(-c2nn3c(nc(C)cc3NC(C)C)c2C)cc1 ZINC000040216877 183046547 /nfs/dbraw/zinc/04/65/47/183046547.db2.gz UAVRHQGGKSUIAP-UHFFFAOYSA-N 0 0 310.401 3.842 50 0 DHAARN CC(C)c1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1 ZINC000040096966 183034144 /nfs/dbraw/zinc/03/41/44/183034144.db2.gz BFBYFZPGRFTGBX-QGZVFWFLSA-N 0 0 316.376 3.804 50 0 DHAARN CCOc1ncccc1CNC(=O)Nc1c(C)cc(C)cc1C ZINC000040095768 183034154 /nfs/dbraw/zinc/03/41/54/183034154.db2.gz IPQKWZFBKXZULW-UHFFFAOYSA-N 0 0 313.401 3.727 50 0 DHAARN Cc1cccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)c1C ZINC000040095298 183034190 /nfs/dbraw/zinc/03/41/90/183034190.db2.gz JJLOYWYDGLTALI-MRXNPFEDSA-N 0 0 318.804 3.812 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)NC[C@H](O)c1ccccc1F ZINC000040099217 183034755 /nfs/dbraw/zinc/03/47/55/183034755.db2.gz UAGFGPNQQSMFNP-HNNXBMFYSA-N 0 0 322.767 3.643 50 0 DHAARN CCCCOCCCNC(=O)Nc1ccccc1N1CCCC1 ZINC000040103782 183035487 /nfs/dbraw/zinc/03/54/87/183035487.db2.gz VZPFGNUZSVLMJU-UHFFFAOYSA-N 0 0 319.449 3.615 50 0 DHAARN C[C@H](Cc1ccc(Br)cc1)NC(=O)C[C@@H]1C=CCC1 ZINC000040108487 183037300 /nfs/dbraw/zinc/03/73/00/183037300.db2.gz WDYHRMDSDNDQSU-CHWSQXEVSA-N 0 0 322.246 3.853 50 0 DHAARN CCCCOc1ccc(CCNC(=O)C[C@@H]2C=CCC2)cc1 ZINC000040122370 183038436 /nfs/dbraw/zinc/03/84/36/183038436.db2.gz CPOYSYARBDRHRD-QGZVFWFLSA-N 0 0 301.430 3.881 50 0 DHAARN O=C(CCCc1ccccc1)Nc1ccnn1Cc1ccccc1 ZINC000040130732 183038695 /nfs/dbraw/zinc/03/86/95/183038695.db2.gz IFQWOUBXODGRJP-UHFFFAOYSA-N 0 0 319.408 3.893 50 0 DHAARN COc1ccc(OC(=O)c2nc(-c3cccs3)oc2C)cc1 ZINC000040128307 183038740 /nfs/dbraw/zinc/03/87/40/183038740.db2.gz NMTIAVZTOGFSQF-UHFFFAOYSA-N 0 0 315.350 3.939 50 0 DHAARN CCOc1ncccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000040121128 183038745 /nfs/dbraw/zinc/03/87/45/183038745.db2.gz UAFXLLPSENRFJC-ZDUSSCGKSA-N 0 0 317.414 3.911 50 0 DHAARN CCCc1nnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000040141360 183039045 /nfs/dbraw/zinc/03/90/45/183039045.db2.gz WZKULMMIXMFADF-BDAKNGLRSA-N 0 0 321.368 3.798 50 0 DHAARN CCc1nc(Cl)c(N)c(Oc2cccc3cnccc32)n1 ZINC000040428554 183065055 /nfs/dbraw/zinc/06/50/55/183065055.db2.gz CITKGAJWMJZBFD-UHFFFAOYSA-N 0 0 300.749 3.615 50 0 DHAARN O=C(c1csc(NCc2ccccc2Cl)n1)N1CCCC1 ZINC000040267435 183049782 /nfs/dbraw/zinc/04/97/82/183049782.db2.gz NEEOAVJACHKDIV-UHFFFAOYSA-N 0 0 321.833 3.645 50 0 DHAARN Cc1nsc2nc(-c3cc(F)c(F)cc3Cl)oc(=O)c12 ZINC000040464789 183072025 /nfs/dbraw/zinc/07/20/25/183072025.db2.gz VLEHCPDVPUBSLC-UHFFFAOYSA-N 0 0 314.700 3.552 50 0 DHAARN C[C@@H](c1nc2ccccc2s1)N(C)Cc1nnsc1Cl ZINC000040466278 183072585 /nfs/dbraw/zinc/07/25/85/183072585.db2.gz OFAKUWBKLVASEQ-QMMMGPOBSA-N 0 0 324.862 3.994 50 0 DHAARN Cc1cc(NC(=O)CCCc2nc3ccccc3s2)no1 ZINC000040467586 183073593 /nfs/dbraw/zinc/07/35/93/183073593.db2.gz BYDPBAPUEALKGF-UHFFFAOYSA-N 0 0 301.371 3.554 50 0 DHAARN COc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)c(OC)c1 ZINC000040494023 183080450 /nfs/dbraw/zinc/08/04/50/183080450.db2.gz RNHQWQDGCRKAMX-JTQLQIEISA-N 0 0 305.378 3.557 50 0 DHAARN Cc1nc(-c2cccc(Oc3ncnc4sccc43)c2)no1 ZINC000040513618 183087958 /nfs/dbraw/zinc/08/79/58/183087958.db2.gz LJYLPXFSTRQEKZ-UHFFFAOYSA-N 0 0 310.338 3.842 50 0 DHAARN Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl ZINC000041091865 183164927 /nfs/dbraw/zinc/16/49/27/183164927.db2.gz CJHRRQYVKVTQSC-IINYFYTJSA-N 0 0 301.839 3.505 50 0 DHAARN CC(=O)c1cccc(OS(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC000041097106 183165144 /nfs/dbraw/zinc/16/51/44/183165144.db2.gz YERYXZQWPZNLSJ-UHFFFAOYSA-N 0 0 324.785 3.619 50 0 DHAARN CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 ZINC000041123662 183168238 /nfs/dbraw/zinc/16/82/38/183168238.db2.gz VWJJONLBRBCKMS-DGCLKSJQSA-N 0 0 317.389 3.504 50 0 DHAARN O=C(CCc1ccsc1)Nc1nc(-c2ccccc2)ns1 ZINC000042090601 183231948 /nfs/dbraw/zinc/23/19/48/183231948.db2.gz ZFVRUUQMEOWEDX-UHFFFAOYSA-N 0 0 315.423 3.838 50 0 DHAARN Cc1nc2ccccc2n1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000042080418 183232007 /nfs/dbraw/zinc/23/20/07/183232007.db2.gz LBCSSMVFWAEKTG-HXUWFJFHSA-N 0 0 319.408 3.612 50 0 DHAARN Cc1cccc(C(=O)NCc2ccc(Br)cc2)c1 ZINC000042418641 183266580 /nfs/dbraw/zinc/26/65/80/183266580.db2.gz HTAWXVXOQOGAQQ-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN O=S(=O)(c1ccccc1NC(C1CC1)C1CC1)C(F)(F)F ZINC000042374352 183260711 /nfs/dbraw/zinc/26/07/11/183260711.db2.gz ADOMFEGTVCAMLX-UHFFFAOYSA-N 0 0 319.348 3.581 50 0 DHAARN CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1cccnc1 ZINC000042649217 183293893 /nfs/dbraw/zinc/29/38/93/183293893.db2.gz GQXJUTXWDUQALD-BQYQJAHWSA-N 0 0 304.752 3.546 50 0 DHAARN O=C(Nc1cccc2cnccc21)N1CCC[C@H]1c1ccncc1 ZINC000043161875 183341912 /nfs/dbraw/zinc/34/19/12/183341912.db2.gz NERJTQKDZZOIFH-SFHVURJKSA-N 0 0 318.380 3.999 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)no1 ZINC000043280894 183350663 /nfs/dbraw/zinc/35/06/63/183350663.db2.gz JZNQWYHSAGGRML-OAHLLOKOSA-N 0 0 303.337 3.800 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccs2)on1 ZINC000043290566 183351638 /nfs/dbraw/zinc/35/16/38/183351638.db2.gz SZKSAOQFFATBIF-RYUDHWBXSA-N 0 0 305.403 3.652 50 0 DHAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000043332518 183355725 /nfs/dbraw/zinc/35/57/25/183355725.db2.gz DUEFAUHBKGGMOB-HNNXBMFYSA-N 0 0 315.373 3.751 50 0 DHAARN COc1cc(C)c(NC(=O)N[C@H](C)c2cccs2)cc1OC ZINC000043405164 183358827 /nfs/dbraw/zinc/35/88/27/183358827.db2.gz LZIDSAVQKMDJCW-LLVKDONJSA-N 0 0 320.414 3.956 50 0 DHAARN O=C(NCc1cccnc1)Nc1ccccc1SC(F)F ZINC000043552829 183370897 /nfs/dbraw/zinc/37/08/97/183370897.db2.gz XPCUJISJHHMCLK-UHFFFAOYSA-N 0 0 309.341 3.718 50 0 DHAARN C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 ZINC000043552850 183371302 /nfs/dbraw/zinc/37/13/02/183371302.db2.gz ASCSJVMFUOMHCF-UWVGGRQHSA-N 0 0 316.373 3.642 50 0 DHAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000043756120 183385059 /nfs/dbraw/zinc/38/50/59/183385059.db2.gz SVFDMSYCUNLXOX-UHFFFAOYSA-N 0 0 315.241 3.914 50 0 DHAARN CC(C)(C)OC(=O)n1nc(Br)c2cc(F)ccc21 ZINC000044136748 183396571 /nfs/dbraw/zinc/39/65/71/183396571.db2.gz UNNULYRTIBIRPK-UHFFFAOYSA-N 0 0 315.142 3.721 50 0 DHAARN Cc1c(C(=O)NCCC(C)C)c(C(F)(F)F)nn1C(C)C ZINC000044203985 183398738 /nfs/dbraw/zinc/39/87/38/183398738.db2.gz CFZWUBLJNSVFSZ-UHFFFAOYSA-N 0 0 305.344 3.567 50 0 DHAARN CC(C)c1cc(C(=O)N[C@H](C)c2ccncc2)nn1C(C)(C)C ZINC000044313005 183404480 /nfs/dbraw/zinc/40/44/80/183404480.db2.gz DKAJLLPTHOGVKL-CYBMUJFWSA-N 0 0 314.433 3.648 50 0 DHAARN COc1ccc2nc(C(=O)N(C)Cc3cccs3)ccc2c1 ZINC000044893191 183450018 /nfs/dbraw/zinc/45/00/18/183450018.db2.gz XIOAORUXEAAAAN-UHFFFAOYSA-N 0 0 312.394 3.577 50 0 DHAARN C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1cccc(O)c1 ZINC000104881642 194050030 /nfs/dbraw/zinc/05/00/30/194050030.db2.gz YIFRZYOMIRTJOH-LLVKDONJSA-N 0 0 323.314 3.831 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C ZINC000046010351 183542686 /nfs/dbraw/zinc/54/26/86/183542686.db2.gz RNUHOBNFXRSFHK-UHFFFAOYSA-N 0 0 310.353 3.736 50 0 DHAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cc1ccsc1 ZINC000106519234 194223120 /nfs/dbraw/zinc/22/31/20/194223120.db2.gz YTSWKUHWFOKNPF-KCXAZCMYSA-N 0 0 315.438 3.608 50 0 DHAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)C(C)C ZINC000048256464 183632865 /nfs/dbraw/zinc/63/28/65/183632865.db2.gz XUNBKYOZHBZVLG-CYBMUJFWSA-N 0 0 305.422 3.756 50 0 DHAARN Cc1ccc(C)c(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000048326221 183644343 /nfs/dbraw/zinc/64/43/43/183644343.db2.gz UMTWLNMRYLNKJM-OAHLLOKOSA-N 0 0 314.404 3.902 50 0 DHAARN CC(C)OCc1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC000048361802 183650396 /nfs/dbraw/zinc/65/03/96/183650396.db2.gz SYVWDWIXNTWPJY-UHFFFAOYSA-N 0 0 301.361 3.681 50 0 DHAARN CCc1ncc(C(=O)N[C@@H](c2ccco2)c2ccccc2)s1 ZINC000048364404 183651506 /nfs/dbraw/zinc/65/15/06/183651506.db2.gz FKODNEXWQPTQII-MRXNPFEDSA-N 0 0 312.394 3.818 50 0 DHAARN Cc1cc(NC(=O)NCc2ccc(Cl)cc2Cl)no1 ZINC000048388391 183654988 /nfs/dbraw/zinc/65/49/88/183654988.db2.gz NWQQCYRVMFYTIN-UHFFFAOYSA-N 0 0 300.145 3.612 50 0 DHAARN Cc1nn(C)c2c1[C@@H](c1ccc(O)c(Cl)c1)SCC(=O)N2 ZINC000049550200 183740748 /nfs/dbraw/zinc/74/07/48/183740748.db2.gz KKTKLOXFGZBNCU-CYBMUJFWSA-N 0 0 323.805 3.512 50 0 DHAARN CN1[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000049581088 183744213 /nfs/dbraw/zinc/74/42/13/183744213.db2.gz YELFGIPNSMJKET-DYNVDGSKSA-N 0 0 316.198 3.687 50 0 DHAARN COc1ccc(C(=O)CCNc2ccc(F)cc2)cc1OC ZINC000049911958 183761990 /nfs/dbraw/zinc/76/19/90/183761990.db2.gz KGRHNLQUVGOYJK-UHFFFAOYSA-N 0 0 303.333 3.528 50 0 biogenic,in-vitro DHAARN Cc1cc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)n(C)n1 ZINC000052797297 183873670 /nfs/dbraw/zinc/87/36/70/183873670.db2.gz HQWBUAQMLQXIBW-UHFFFAOYSA-N 0 0 318.808 3.578 50 0 DHAARN COC1CCN(C(=O)c2sc3ccc(F)cc3c2C)CC1 ZINC000052984415 183883214 /nfs/dbraw/zinc/88/32/14/183883214.db2.gz YPGCJZKUILPVDQ-UHFFFAOYSA-N 0 0 307.390 3.600 50 0 DHAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2noc3ccccc32)o1 ZINC000053194083 183891671 /nfs/dbraw/zinc/89/16/71/183891671.db2.gz MFBDQRRCKNMPIS-WFASDCNBSA-N 0 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/nfs/dbraw/zinc/03/49/30/184034930.db2.gz HCGYKYCNFQYROI-GFCCVEGCSA-N 0 0 318.442 3.599 50 0 DHAARN Cc1noc(C)c1CC(=O)N(Cc1ccccc1)CC1CCC1 ZINC000057399214 184037254 /nfs/dbraw/zinc/03/72/54/184037254.db2.gz FBJBQXACWMYMEO-UHFFFAOYSA-N 0 0 312.413 3.663 50 0 DHAARN CCCOc1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000057416136 184037815 /nfs/dbraw/zinc/03/78/15/184037815.db2.gz KYYKEBPIIABXPC-UHFFFAOYSA-N 0 0 308.381 3.887 50 0 DHAARN Cc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)n[nH]2)cc1C ZINC000057510972 184040208 /nfs/dbraw/zinc/04/02/08/184040208.db2.gz SMPHQYPVJZGWLK-UHFFFAOYSA-N 0 0 317.352 3.806 50 0 DHAARN CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccnc2ccccc21 ZINC000058047204 184070796 /nfs/dbraw/zinc/07/07/96/184070796.db2.gz DBSKXYVDTGFFSD-GOSISDBHSA-N 0 0 321.405 3.994 50 0 DHAARN COc1ccc(COc2ccc(C(C)=O)cc2OC)cc1F ZINC000058065803 184072889 /nfs/dbraw/zinc/07/28/89/184072889.db2.gz HEGKJZUHWBCRMN-UHFFFAOYSA-N 0 0 304.317 3.625 50 0 DHAARN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058061130 184072974 /nfs/dbraw/zinc/07/29/74/184072974.db2.gz VGJMUWNJMBXZQJ-CZUORRHYSA-N 0 0 305.418 3.507 50 0 DHAARN CC[C@H](C)C(=O)Nc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000057994553 184065457 /nfs/dbraw/zinc/06/54/57/184065457.db2.gz QBUIAYSSXYXZNN-NSHDSACASA-N 0 0 300.406 3.754 50 0 DHAARN CCCCN1COc2ccc3c(C)c(CC)c(=O)oc3c2C1 ZINC000057996622 184065946 /nfs/dbraw/zinc/06/59/46/184065946.db2.gz QKCWCKVIQGKDMG-UHFFFAOYSA-N 0 0 301.386 3.616 50 0 DHAARN CCOCCSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000058017518 184067752 /nfs/dbraw/zinc/06/77/52/184067752.db2.gz ZWDONCDPDORRGB-UHFFFAOYSA-N 0 0 307.394 3.548 50 0 DHAARN CCn1c(SCc2nc(C)c(C)o2)nnc1-c1ccoc1C ZINC000058162885 184083105 /nfs/dbraw/zinc/08/31/05/184083105.db2.gz UWBHVEBDNDLNKQ-UHFFFAOYSA-N 0 0 318.402 3.764 50 0 DHAARN CC[C@H](C(=O)Nc1cccc(COC)c1)c1c(C)noc1C ZINC000058201620 184086921 /nfs/dbraw/zinc/08/69/21/184086921.db2.gz CTKDPSLOFSAAPH-HNNXBMFYSA-N 0 0 302.374 3.570 50 0 DHAARN CN(C)C(=O)c1cccc(CSc2ncnc3ccccc32)c1 ZINC000058202901 184087626 /nfs/dbraw/zinc/08/76/26/184087626.db2.gz DRMTUDHLYKYIJX-UHFFFAOYSA-N 0 0 323.421 3.624 50 0 DHAARN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1ccccn1 ZINC000058232576 184092599 /nfs/dbraw/zinc/09/25/99/184092599.db2.gz WATOFAHMRPIBPA-OAHLLOKOSA-N 0 0 322.742 3.991 50 0 DHAARN CCN(CC)c1ccc(C(=O)N[C@H](C)c2ccccc2C)cn1 ZINC000058136520 184079945 /nfs/dbraw/zinc/07/99/45/184079945.db2.gz RXROHHHXKBYMLQ-OAHLLOKOSA-N 0 0 311.429 3.727 50 0 DHAARN O=C(Nc1cc(-c2cccs2)[nH]n1)c1cc(F)ccc1F ZINC000058142520 184080438 /nfs/dbraw/zinc/08/04/38/184080438.db2.gz RUHOWNSKYFNHIE-UHFFFAOYSA-N 0 0 305.309 3.669 50 0 DHAARN Cc1ccc(C)n1C1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000058141252 184080638 /nfs/dbraw/zinc/08/06/38/184080638.db2.gz YALCNNGEYZOPTF-UHFFFAOYSA-N 0 0 318.367 3.860 50 0 DHAARN CC(C)CNC(=O)CN(C)c1ccc(Oc2ccccc2)cc1 ZINC000058160153 184081923 /nfs/dbraw/zinc/08/19/23/184081923.db2.gz LMZWVABNPKPRQD-UHFFFAOYSA-N 0 0 312.413 3.687 50 0 DHAARN CCc1cccc(C)c1NC(=O)CNCc1ccccc1Cl ZINC000058160395 184081941 /nfs/dbraw/zinc/08/19/41/184081941.db2.gz QXCLRGKSOFBMJW-UHFFFAOYSA-N 0 0 316.832 3.939 50 0 DHAARN CN(Cc1ccccn1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000058354964 184107770 /nfs/dbraw/zinc/10/77/70/184107770.db2.gz FNHNUUNNVPHGDK-UHFFFAOYSA-N 0 0 316.404 3.950 50 0 DHAARN O=C(c1cccnc1Oc1cccnc1)N1CCCCCCC1 ZINC000058368268 184109770 /nfs/dbraw/zinc/10/97/70/184109770.db2.gz BOULQDUIEAGWBR-UHFFFAOYSA-N 0 0 311.385 3.675 50 0 DHAARN CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)c1ccc(C)cc1C ZINC000058377904 184109965 /nfs/dbraw/zinc/10/99/65/184109965.db2.gz LWJJWYIQNLRBSD-AWEZNQCLSA-N 0 0 313.445 3.810 50 0 DHAARN O=c1cc(CSc2ccccc2F)nc2ccc(Cl)cn12 ZINC000058245611 184094411 /nfs/dbraw/zinc/09/44/11/184094411.db2.gz FIGALVZKBRJROV-UHFFFAOYSA-N 0 0 320.776 3.779 50 0 DHAARN CCCNC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058245838 184094454 /nfs/dbraw/zinc/09/44/54/184094454.db2.gz AIRQHSBPTGNCLA-UHFFFAOYSA-N 0 0 321.396 3.876 50 0 DHAARN CC(C)c1nnc(NC(=O)CS[C@H](C)c2ccccc2F)o1 ZINC000058249600 184094908 /nfs/dbraw/zinc/09/49/08/184094908.db2.gz ACSLMBWGDDAHOD-SNVBAGLBSA-N 0 0 323.393 3.765 50 0 DHAARN CN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000058267821 184097760 /nfs/dbraw/zinc/09/77/60/184097760.db2.gz UUWDVPBXRCDYCR-UHFFFAOYSA-N 0 0 321.355 3.555 50 0 DHAARN CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC000058282520 184099831 /nfs/dbraw/zinc/09/98/31/184099831.db2.gz XWLXFFSYXYPEAS-ZDUSSCGKSA-N 0 0 313.397 3.834 50 0 DHAARN CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC000058282521 184099853 /nfs/dbraw/zinc/09/98/53/184099853.db2.gz XWLXFFSYXYPEAS-CYBMUJFWSA-N 0 0 313.397 3.834 50 0 DHAARN C[C@H](NC(=O)CSCC(=O)c1ccccc1)c1cccs1 ZINC000058289818 184100447 /nfs/dbraw/zinc/10/04/47/184100447.db2.gz CWNLOUXNNBYYSK-LBPRGKRZSA-N 0 0 319.451 3.541 50 0 DHAARN CCOC1CCN(C(=O)c2ccc(N(CC)C(C)C)cc2)CC1 ZINC000058392293 184111669 /nfs/dbraw/zinc/11/16/69/184111669.db2.gz YUWMZIUYHXHDKG-UHFFFAOYSA-N 0 0 318.461 3.562 50 0 DHAARN CCN(CC(=O)Nc1c(C)nn(C(C)C)c1C)c1ccccc1 ZINC000058324014 184105160 /nfs/dbraw/zinc/10/51/60/184105160.db2.gz UZPGBKOVZUYVTQ-UHFFFAOYSA-N 0 0 314.433 3.546 50 0 DHAARN CC(C)[C@H](C)NC(=O)Nc1cccc(OCc2cscn2)c1 ZINC000058326718 184105630 /nfs/dbraw/zinc/10/56/30/184105630.db2.gz FJFHLISXWUOASZ-LBPRGKRZSA-N 0 0 319.430 3.888 50 0 DHAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C)n1 ZINC000058326622 184105683 /nfs/dbraw/zinc/10/56/83/184105683.db2.gz ZRGMFNLXEBFBHC-FUHWJXTLSA-N 0 0 309.413 3.583 50 0 DHAARN CC(C)[C@@H](C)NC(=O)Nc1cccc(OCc2cscn2)c1 ZINC000058326716 184105713 /nfs/dbraw/zinc/10/57/13/184105713.db2.gz FJFHLISXWUOASZ-GFCCVEGCSA-N 0 0 319.430 3.888 50 0 DHAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)OC1CCCCCCC1 ZINC000058412029 184114830 /nfs/dbraw/zinc/11/48/30/184114830.db2.gz LKZIHUFANZFVDT-UHFFFAOYSA-N 0 0 324.442 3.668 50 0 DHAARN Cc1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)on1 ZINC000058417443 184115388 /nfs/dbraw/zinc/11/53/88/184115388.db2.gz BVYDDKUHHGBQDD-UHFFFAOYSA-N 0 0 320.348 3.537 50 0 DHAARN COc1c(C[NH2+]C2(c3ccccc3)CCC2)c(C(C)C)nn1C ZINC000058432436 184117926 /nfs/dbraw/zinc/11/79/26/184117926.db2.gz BCWRSXFANYQJAD-UHFFFAOYSA-N 0 0 313.445 3.721 50 0 DHAARN CCCC(=O)Nc1cccc(NCc2nc(C3CC3)no2)c1C ZINC000058441719 184118915 /nfs/dbraw/zinc/11/89/15/184118915.db2.gz BKQKEDPXSDORPY-UHFFFAOYSA-N 0 0 314.389 3.606 50 0 DHAARN C[C@H](SCc1cccc2ccccc21)C(=O)Nc1ncccn1 ZINC000058485839 184120346 /nfs/dbraw/zinc/12/03/46/184120346.db2.gz BOPBOUJNAMURFX-ZDUSSCGKSA-N 0 0 323.421 3.890 50 0 DHAARN O=C(CC[C@@H]1CCCO1)OCc1csc(Br)c1 ZINC000058938173 184132232 /nfs/dbraw/zinc/13/22/32/184132232.db2.gz MFJDXYOTQXJDRN-JTQLQIEISA-N 0 0 319.220 3.513 50 0 DHAARN CCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000059291110 184136588 /nfs/dbraw/zinc/13/65/88/184136588.db2.gz TZYIWGJZKUKDOX-UHFFFAOYSA-N 0 0 302.761 3.941 50 0 DHAARN CCN(C(=O)C1=NO[C@@H](c2ccccc2)C1)c1ccccc1C ZINC000059423568 184138516 /nfs/dbraw/zinc/13/85/16/184138516.db2.gz RVUJWVTZYQBURO-GOSISDBHSA-N 0 0 308.381 3.866 50 0 DHAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 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CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cn2ccccc2n1 ZINC000063494713 184283445 /nfs/dbraw/zinc/28/34/45/184283445.db2.gz FSDCVPAXIGDQOI-SFHVURJKSA-N 0 0 320.396 3.557 50 0 DHAARN CCn1ncc(Cl)c1C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000064579861 184300628 /nfs/dbraw/zinc/30/06/28/184300628.db2.gz ADWVGLXEJAHCBG-OAHLLOKOSA-N 0 0 317.820 3.842 50 0 DHAARN Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000064579988 184300661 /nfs/dbraw/zinc/30/06/61/184300661.db2.gz GSFXZQOPYVLOOS-CQSZACIVSA-N 0 0 304.777 3.922 50 0 DHAARN CCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 ZINC000064787804 184303446 /nfs/dbraw/zinc/30/34/46/184303446.db2.gz YBMMAGABKCBKAL-UHFFFAOYSA-N 0 0 311.385 3.702 50 0 DHAARN CCc1nc(C[S@](=O)Cc2ccc(Cl)s2)cs1 ZINC000064823773 184303794 /nfs/dbraw/zinc/30/37/94/184303794.db2.gz VPDSOBLWXUYGCQ-QGZVFWFLSA-N 0 0 305.877 3.869 50 0 DHAARN CCOc1ccccc1NC(=O)c1cccn1-c1cccnc1C ZINC000064839245 184304331 /nfs/dbraw/zinc/30/43/31/184304331.db2.gz WUGCSCCGHCLERP-UHFFFAOYSA-N 0 0 321.380 3.832 50 0 DHAARN 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/nfs/dbraw/zinc/22/05/34/563220534.db2.gz PGYYUFLJAPLYLP-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN O=c1oc2cc(OCc3ccc(F)cc3)ccc2c2c1CCC2 ZINC000000123043 563220557 /nfs/dbraw/zinc/22/05/57/563220557.db2.gz JQRTYSCTPRCTEF-UHFFFAOYSA-N 0 0 310.324 4.000 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000000121782 563220601 /nfs/dbraw/zinc/22/06/01/563220601.db2.gz IQIZJRGKSXUBDM-UHFFFAOYSA-N 0 0 323.751 3.678 50 0 biogenic DHAARN Cc1ccc(CSc2nnc(-c3cnccn3)s2)cc1 ZINC000000127602 563221190 /nfs/dbraw/zinc/22/11/90/563221190.db2.gz VRRGUZCZWGSLBO-UHFFFAOYSA-N 0 0 300.412 3.596 50 0 DHAARN Cc1cc(Sc2nnnn2-c2ccccc2)nc2ccccc12 ZINC000000124423 563221217 /nfs/dbraw/zinc/22/12/17/563221217.db2.gz ARJBIGMEERVDEY-UHFFFAOYSA-N 0 0 319.393 3.670 50 0 DHAARN CC1(C)C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1(C)C ZINC000000138470 563222947 /nfs/dbraw/zinc/22/29/47/563222947.db2.gz XUUDKRSJWCYINT-UHFFFAOYSA-N 0 0 320.864 3.671 50 0 DHAARN CC1SCC(NC(=O)Nc2ccc(Cl)cc2)CS1 ZINC000000141657 563223254 /nfs/dbraw/zinc/22/32/54/563223254.db2.gz MOJGRDKBXUQKMT-UHFFFAOYSA-N 0 0 302.852 3.656 50 0 DHAARN Cc1ccc(OC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000143494 563223384 /nfs/dbraw/zinc/22/33/84/563223384.db2.gz YLSDKNGCOXXPTC-UHFFFAOYSA-N 0 0 311.381 3.936 50 0 DHAARN CCc1cccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000000145588 563224013 /nfs/dbraw/zinc/22/40/13/563224013.db2.gz JHMQMHUESOHDQC-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN CCN(CC)c1ccc(NC(=O)COc2cccc(C)c2)cc1 ZINC000000146485 563224049 /nfs/dbraw/zinc/22/40/49/563224049.db2.gz BTIFRCIJQVXAER-UHFFFAOYSA-N 0 0 312.413 3.859 50 0 DHAARN O=C(COc1ncnc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000000154255 563225260 /nfs/dbraw/zinc/22/52/60/563225260.db2.gz ZWPSHBUKMRVFMW-UHFFFAOYSA-N 0 0 316.719 3.684 50 0 DHAARN Nc1c(Br)cc(Br)cc1C(F)(F)F ZINC000000165472 563226433 /nfs/dbraw/zinc/22/64/33/563226433.db2.gz ZYBKXMTWWFTYKN-UHFFFAOYSA-N 0 0 318.918 3.813 50 0 DHAARN Fc1ccc(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000000170579 563227004 /nfs/dbraw/zinc/22/70/04/563227004.db2.gz XGUQGDHITKVSIG-UHFFFAOYSA-N 0 0 323.158 3.834 50 0 DHAARN CCC(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000000172531 563227556 /nfs/dbraw/zinc/22/75/56/563227556.db2.gz DLGKAXQSAURWDG-UHFFFAOYSA-N 0 0 314.776 3.731 50 0 DHAARN Cc1cc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1Cl ZINC000000172408 563227558 /nfs/dbraw/zinc/22/75/58/563227558.db2.gz XYQINPUVMQRLOD-RYUDHWBXSA-N 0 0 301.839 3.600 50 0 DHAARN Cc1ccc(-c2cc(-c3ccc(F)cc3)n3ncnc3n2)cc1 ZINC000000204492 563230328 /nfs/dbraw/zinc/23/03/28/563230328.db2.gz BMHJTHCTMXQDPJ-UHFFFAOYSA-N 0 0 304.328 3.906 50 0 DHAARN COc1cccc([C@@H]2C[C@H](c3cccc(F)c3)n3ncnc3N2)c1 ZINC000000222440 563231624 /nfs/dbraw/zinc/23/16/24/563231624.db2.gz QMCGZNBPJBEYMU-DLBZAZTESA-N 0 0 324.359 3.572 50 0 DHAARN FC(F)(F)c1cccc(N2CCN(Cc3ccco3)CC2)c1 ZINC000000237804 563232051 /nfs/dbraw/zinc/23/20/51/563232051.db2.gz GJNGMWOEISEXJU-UHFFFAOYSA-N 0 0 310.319 3.621 50 0 DHAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccn1 ZINC000000281797 563235884 /nfs/dbraw/zinc/23/58/84/563235884.db2.gz YSMRJHHJXKEKFX-UHFFFAOYSA-N 0 0 302.333 3.565 50 0 DHAARN COc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000288795 563236687 /nfs/dbraw/zinc/23/66/87/563236687.db2.gz IHMRPLIOWCIAJT-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 biogenic DHAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccs1 ZINC000000294187 563237212 /nfs/dbraw/zinc/23/72/12/563237212.db2.gz GYTRZZGWHCIEJG-UHFFFAOYSA-N 0 0 305.359 3.658 50 0 DHAARN COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1OC ZINC000000299098 563237363 /nfs/dbraw/zinc/23/73/63/563237363.db2.gz QQJMSQQWSFOWMQ-UHFFFAOYSA-N 0 0 311.381 3.835 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 ZINC000000297082 563237429 /nfs/dbraw/zinc/23/74/29/563237429.db2.gz SWXGZOIIYNMAOI-SECBINFHSA-N 0 0 314.168 3.670 50 0 DHAARN Cc1ccc(-c2cc(N)n3nc(-c4ccccc4)cc3n2)cc1 ZINC000000305012 563238446 /nfs/dbraw/zinc/23/84/46/563238446.db2.gz KNSIWVDMWOVDMU-UHFFFAOYSA-N 0 0 300.365 3.954 50 0 DHAARN CCc1cc(C(=O)COc2ccc(Cl)cc2)c(O)cc1O ZINC000000308164 563238911 /nfs/dbraw/zinc/23/89/11/563238911.db2.gz SEMWLWJOEPKNLU-UHFFFAOYSA-N 0 0 306.745 3.575 50 0 DHAARN CC(C)Oc1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000313247 563239550 /nfs/dbraw/zinc/23/95/50/563239550.db2.gz ZBMZDPIDKIKRMM-MRXNPFEDSA-N 0 0 323.392 3.596 50 0 DHAARN CC[C@H]1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1 ZINC000000314961 563240414 /nfs/dbraw/zinc/24/04/14/563240414.db2.gz VUWJOKDWHHFRHY-ZDUSSCGKSA-N 0 0 310.850 3.619 50 0 DHAARN CC(C)CC(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000000342044 563242137 /nfs/dbraw/zinc/24/21/37/563242137.db2.gz LZZXYCFMLJWXAI-UHFFFAOYSA-N 0 0 305.230 3.853 50 0 DHAARN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000349979 563243290 /nfs/dbraw/zinc/24/32/90/563243290.db2.gz SANMOUMDLDARRP-ZDUSSCGKSA-N 0 0 323.845 3.640 50 0 DHAARN c1nnc2c3c4c(sc3nc(Cc3ccccc3)n12)CCCC4 ZINC000000356488 563243864 /nfs/dbraw/zinc/24/38/64/563243864.db2.gz RPTYKXPWVYGWFI-UHFFFAOYSA-N 0 0 320.421 3.809 50 0 DHAARN COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000000352712 563243878 /nfs/dbraw/zinc/24/38/78/563243878.db2.gz FGENSCRHDKKOPP-RBUKOAKNSA-N 0 0 315.413 3.728 50 0 DHAARN Cc1nc(NC(=O)c2ccc(F)cc2)ccc1Br ZINC000000359970 563244208 /nfs/dbraw/zinc/24/42/08/563244208.db2.gz ICZHHWUDGCXCAB-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000000363066 563244831 /nfs/dbraw/zinc/24/48/31/563244831.db2.gz OSCZYRCHVMVISH-UHFFFAOYSA-N 0 0 307.390 3.924 50 0 DHAARN CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1 ZINC000000364503 563245230 /nfs/dbraw/zinc/24/52/30/563245230.db2.gz PGEVKJAAEXCDOF-UHFFFAOYSA-N 0 0 318.423 3.938 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000000364838 563245949 /nfs/dbraw/zinc/24/59/49/563245949.db2.gz ICVPZOYCUDJWBB-OAHLLOKOSA-N 0 0 311.381 3.912 50 0 DHAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1Cl ZINC000000367851 563246418 /nfs/dbraw/zinc/24/64/18/563246418.db2.gz BLUWITQWEDYYLY-UHFFFAOYSA-N 0 0 312.152 3.960 50 0 DHAARN CC[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 ZINC000000374865 563247183 /nfs/dbraw/zinc/24/71/83/563247183.db2.gz PWAWLLVCZOVEEN-NSHDSACASA-N 0 0 306.475 3.908 50 0 DHAARN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000000374088 563247202 /nfs/dbraw/zinc/24/72/02/563247202.db2.gz WODOCQYEVFOZDC-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1 ZINC000000384377 563248030 /nfs/dbraw/zinc/24/80/30/563248030.db2.gz FHCLWUVUPLMYKC-ZDUSSCGKSA-N 0 0 312.369 3.547 50 0 DHAARN Fc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000000385279 563248561 /nfs/dbraw/zinc/24/85/61/563248561.db2.gz YFWINMQYLORGRQ-UHFFFAOYSA-N 0 0 310.357 3.583 50 0 DHAARN CCCc1nn(C)c(C(=O)Nc2cc(C)ccc2C)c1Cl ZINC000000385501 563248598 /nfs/dbraw/zinc/24/85/98/563248598.db2.gz MBHSJRGCAPGFPU-UHFFFAOYSA-N 0 0 305.809 3.895 50 0 DHAARN Cc1ccccc1-c1nn2c(nnc2-c2cccc(F)c2)s1 ZINC000000385553 563248629 /nfs/dbraw/zinc/24/86/29/563248629.db2.gz NBPIEMBFVBVQIM-UHFFFAOYSA-N 0 0 310.357 3.967 50 0 DHAARN Cc1ccc2oc(=O)n(CCOc3ccccc3Cl)c2c1 ZINC000000386021 563248654 /nfs/dbraw/zinc/24/86/54/563248654.db2.gz JAWJIIHSSWATGM-UHFFFAOYSA-N 0 0 303.745 3.635 50 0 DHAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000000386386 563249143 /nfs/dbraw/zinc/24/91/43/563249143.db2.gz BRXTUOHPIGPFEF-UHFFFAOYSA-N 0 0 321.323 3.922 50 0 DHAARN Cc1ccc(NC(=O)CCSc2nc(C)cc(C)n2)cc1 ZINC000000386144 563249153 /nfs/dbraw/zinc/24/91/53/563249153.db2.gz HOMBPURWMPTTKJ-UHFFFAOYSA-N 0 0 301.415 3.523 50 0 DHAARN O=C(CSc1cccc2cccnc21)N1CCCCCC1 ZINC000000386115 563249324 /nfs/dbraw/zinc/24/93/24/563249324.db2.gz VEQISQFCWHSIPY-UHFFFAOYSA-N 0 0 300.427 3.730 50 0 DHAARN Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1 ZINC000000403224 563251568 /nfs/dbraw/zinc/25/15/68/563251568.db2.gz UXADOQPNKNTIHB-UHFFFAOYSA-N 0 0 303.152 3.907 50 0 in-vitro DHAARN Fc1ccc(N2COc3cc4c(cc3C2)OCO4)cc1Cl ZINC000000427649 563252763 /nfs/dbraw/zinc/25/27/63/563252763.db2.gz XURBXHJGQLTFMF-UHFFFAOYSA-N 0 0 307.708 3.564 50 0 DHAARN CCN(CC)C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000000423627 563252779 /nfs/dbraw/zinc/25/27/79/563252779.db2.gz RGPBBNVHNWQLRB-UHFFFAOYSA-N 0 0 323.190 3.586 50 0 DHAARN CCc1c(C)sc(NC(=O)c2ccc(F)cc2)c1C(=O)OC ZINC000000433844 563253353 /nfs/dbraw/zinc/25/33/53/563253353.db2.gz HWTZWOQJVQJVKN-UHFFFAOYSA-N 0 0 321.373 3.797 50 0 DHAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1 ZINC000000442423 563254283 /nfs/dbraw/zinc/25/42/83/563254283.db2.gz BDIJIDPPFZISFQ-JLHYYAGUSA-N 0 0 322.408 3.735 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)C1CC1)CCCCCC2 ZINC000000441681 563254339 /nfs/dbraw/zinc/25/43/39/563254339.db2.gz REZIOVWGQIIUTK-UHFFFAOYSA-N 0 0 307.415 3.542 50 0 DHAARN CCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000000444689 563254939 /nfs/dbraw/zinc/25/49/39/563254939.db2.gz RKBPOPMDOJEJIW-UHFFFAOYSA-N 0 0 300.333 3.817 50 0 DHAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)CCCC3 ZINC000000444739 563254990 /nfs/dbraw/zinc/25/49/90/563254990.db2.gz VVTUPMPBYOGHJF-UHFFFAOYSA-N 0 0 314.435 3.989 50 0 DHAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2C(C)C)cc1 ZINC000000446279 563255403 /nfs/dbraw/zinc/25/54/03/563255403.db2.gz HUCBKSYEJCNGQJ-MRXNPFEDSA-N 0 0 324.424 3.908 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000000445140 563255656 /nfs/dbraw/zinc/25/56/56/563255656.db2.gz ZIKWIPZUXWXAMI-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000000452293 563256909 /nfs/dbraw/zinc/25/69/09/563256909.db2.gz YOVIOZGQTSTGQV-UHFFFAOYSA-N 0 0 304.802 3.775 50 0 DHAARN O=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000000453518 563257237 /nfs/dbraw/zinc/25/72/37/563257237.db2.gz IWMDVRVERRPCFA-UHFFFAOYSA-N 0 0 309.134 3.980 50 0 DHAARN COc1ccc(NC(=O)[C@@H](OC)c2ccccc2)cc1Cl ZINC000000453512 563257498 /nfs/dbraw/zinc/25/74/98/563257498.db2.gz YWKLPSRAQGDBEA-HNNXBMFYSA-N 0 0 305.761 3.675 50 0 DHAARN Cc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000000465481 563259698 /nfs/dbraw/zinc/25/96/98/563259698.db2.gz LBCAHHVMJPQAPW-UHFFFAOYSA-N 0 0 315.316 3.815 50 0 DHAARN CCn1cc(Br)c(C(=O)Nc2ccc(C)cc2C)n1 ZINC000000467610 563259712 /nfs/dbraw/zinc/25/97/12/563259712.db2.gz VDTATQQCMDVEEB-UHFFFAOYSA-N 0 0 322.206 3.535 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000000469545 563259922 /nfs/dbraw/zinc/25/99/22/563259922.db2.gz RXHXGPUTPRWRNV-SNVBAGLBSA-N 0 0 323.751 3.894 50 0 DHAARN COc1ccc(-c2noc(Cc3ccc(C)cc3)n2)cc1OC ZINC000000471652 563260558 /nfs/dbraw/zinc/26/05/58/563260558.db2.gz GAPWSMDHVQTDGH-UHFFFAOYSA-N 0 0 310.353 3.653 50 0 DHAARN C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccncc2)no1 ZINC000000472082 563261102 /nfs/dbraw/zinc/26/11/02/563261102.db2.gz OLRKPTWUWFDQHQ-SNVBAGLBSA-N 0 0 301.733 3.925 50 0 DHAARN COc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000475782 563261691 /nfs/dbraw/zinc/26/16/91/563261691.db2.gz RRXJKUMMBJBACY-UHFFFAOYSA-N 0 0 303.789 3.598 50 0 DHAARN O=S(=O)(NCc1cccs1)c1cc(Cl)ccc1Cl ZINC000000476341 563261771 /nfs/dbraw/zinc/26/17/71/563261771.db2.gz SKRYHFIGELLUQX-UHFFFAOYSA-N 0 0 322.238 3.533 50 0 DHAARN COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000000484491 563262972 /nfs/dbraw/zinc/26/29/72/563262972.db2.gz SDKDFNPXXCTYTG-UHFFFAOYSA-N 0 0 323.348 3.706 50 0 DHAARN Cc1cc(C(F)(F)F)nc(SCC(=O)c2ccccc2)n1 ZINC000000528874 563264894 /nfs/dbraw/zinc/26/48/94/563264894.db2.gz RMOINYOZUJSSER-UHFFFAOYSA-N 0 0 312.316 3.779 50 0 DHAARN Clc1ccccc1-c1nn2c(nnc2-c2ccccn2)s1 ZINC000000531678 563265537 /nfs/dbraw/zinc/26/55/37/563265537.db2.gz RCSFGPMCCOJEPK-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)C ZINC000000557661 563266216 /nfs/dbraw/zinc/26/62/16/563266216.db2.gz BPOYOMJYMBIUMI-UHFFFAOYSA-N 0 0 316.357 3.525 50 0 DHAARN C[C@@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000000572463 563267724 /nfs/dbraw/zinc/26/77/24/563267724.db2.gz PMYGKQBDOSBBLU-GFCCVEGCSA-N 0 0 316.788 3.822 50 0 DHAARN COc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000000579659 563267969 /nfs/dbraw/zinc/26/79/69/563267969.db2.gz HLTOYLAUSOXNHC-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(C)c1 ZINC000000577636 563268013 /nfs/dbraw/zinc/26/80/13/563268013.db2.gz CYIJPCAZSFSNHQ-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN CSc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000000582695 563268395 /nfs/dbraw/zinc/26/83/95/563268395.db2.gz PFFVUWJIOVOKKN-UHFFFAOYSA-N 0 0 313.831 3.863 50 0 DHAARN O=C(COc1ccccc1)Nc1ccccc1N1CCCCC1 ZINC000000587069 563268512 /nfs/dbraw/zinc/26/85/12/563268512.db2.gz IUYPJKYOHWUNDH-UHFFFAOYSA-N 0 0 310.397 3.694 50 0 DHAARN O=C(Nc1c(F)cccc1F)c1ccc(Br)cc1 ZINC000000611016 563268857 /nfs/dbraw/zinc/26/88/57/563268857.db2.gz IUXRUCXDFASZFP-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1OC ZINC000000617208 563269902 /nfs/dbraw/zinc/26/99/02/563269902.db2.gz LQBBAUVOAWZLNR-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN O=C1C[C@H](c2c(F)cccc2Cl)c2cc3c(cc2N1)OCO3 ZINC000000615849 563270163 /nfs/dbraw/zinc/27/01/63/563270163.db2.gz CBMWMENHKUYWNI-VIFPVBQESA-N 0 0 319.719 3.682 50 0 DHAARN O=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000778615 563271800 /nfs/dbraw/zinc/27/18/00/563271800.db2.gz AHWGELOLRNHFKA-UHFFFAOYSA-N 0 0 312.756 3.925 50 0 DHAARN Cc1cc(C(=O)OCC(=O)c2ccc(F)cc2)c2ccccc2n1 ZINC000000795240 563271930 /nfs/dbraw/zinc/27/19/30/563271930.db2.gz BJXGJEHOJWXMNR-UHFFFAOYSA-N 0 0 323.323 3.722 50 0 DHAARN CCCC(=O)Nc1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000000860305 563272578 /nfs/dbraw/zinc/27/25/78/563272578.db2.gz LWEFLJOIBPFQLO-UHFFFAOYSA-N 0 0 323.607 3.734 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)C[C@H](C)c1ccccc1 ZINC000000860209 563272585 /nfs/dbraw/zinc/27/25/85/563272585.db2.gz GOXHJCVAJAVXJX-AWEZNQCLSA-N 0 0 311.381 3.996 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000000815068 563272595 /nfs/dbraw/zinc/27/25/95/563272595.db2.gz ZVCJWQSFQABMGN-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN CSc1nnc(C)c2c(C)n(-c3ccc(Cl)cc3)nc21 ZINC000001016768 563274355 /nfs/dbraw/zinc/27/43/55/563274355.db2.gz KWDUSNFXCYXDEU-UHFFFAOYSA-N 0 0 304.806 3.808 50 0 DHAARN Cc1ccc(S(=O)(=O)n2c3ccc(C)cc3[nH]c2=S)cc1 ZINC000001033019 563275137 /nfs/dbraw/zinc/27/51/37/563275137.db2.gz POSQJDFTCQWBGS-UHFFFAOYSA-N 0 0 318.423 3.553 50 0 DHAARN Cc1noc(C)c1NC(=O)NCc1cc2ccccc2s1 ZINC000001034920 563275175 /nfs/dbraw/zinc/27/51/75/563275175.db2.gz JIRDETTWQZGIMJ-UHFFFAOYSA-N 0 0 301.371 3.828 50 0 DHAARN Fc1cccc(-c2nnc3sc(Cc4ccccc4)nn32)c1 ZINC000001018191 563275340 /nfs/dbraw/zinc/27/53/40/563275340.db2.gz SBNGVPTWNKBJJV-UHFFFAOYSA-N 0 0 310.357 3.583 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)c(OC(F)F)c1 ZINC000001053465 563275701 /nfs/dbraw/zinc/27/57/01/563275701.db2.gz KOYUALUTJKMRSK-UHFFFAOYSA-N 0 0 321.279 3.577 50 0 DHAARN O=C(Nc1c(F)cc(F)cc1Br)c1ccco1 ZINC000001052107 563275772 /nfs/dbraw/zinc/27/57/72/563275772.db2.gz YLSBBZUBTRHVSK-UHFFFAOYSA-N 0 0 302.074 3.573 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000001055620 563276408 /nfs/dbraw/zinc/27/64/08/563276408.db2.gz KYGMALRYIQPTDJ-UHFFFAOYSA-N 0 0 309.243 3.686 50 0 DHAARN COc1cccc(C=O)c1OCc1ccccc1Br ZINC000001063838 563276491 /nfs/dbraw/zinc/27/64/91/563276491.db2.gz ZZHQDZRPCHPVKP-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN Cc1nnc(NC(=O)c2ccccc2CCc2ccccc2)s1 ZINC000001066215 563276558 /nfs/dbraw/zinc/27/65/58/563276558.db2.gz DVGXOGIAKVJXLI-UHFFFAOYSA-N 0 0 323.421 3.884 50 0 DHAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@]2(C)CC2(Cl)Cl)s1 ZINC000071883163 563277931 /nfs/dbraw/zinc/27/79/31/563277931.db2.gz QEELLKWSCAVASG-PRHODGIISA-N 0 0 321.273 3.863 50 0 DHAARN CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000001163563 563278612 /nfs/dbraw/zinc/27/86/12/563278612.db2.gz BMDDBZPVLSLYGR-UHFFFAOYSA-N 0 0 318.760 3.646 50 0 DHAARN Cc1[nH]nc2c1[C@@H](c1cccs1)N(c1ccc(C)cc1)C2=O ZINC000001292413 563281034 /nfs/dbraw/zinc/28/10/34/563281034.db2.gz LDNZWAIQZGINNB-MRXNPFEDSA-N 0 0 309.394 3.838 50 0 DHAARN Cc1nc2ccccn2c1C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000001383979 563281380 /nfs/dbraw/zinc/28/13/80/563281380.db2.gz WGTMBKOHCCELQM-CQSZACIVSA-N 0 0 314.772 3.603 50 0 DHAARN COC(=O)[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000001397565 563282206 /nfs/dbraw/zinc/28/22/06/563282206.db2.gz QTTRBGPAYKCILN-HNNXBMFYSA-N 0 0 302.757 3.870 50 0 DHAARN COc1ccc(NC(=O)c2ccc(SC(C)C)nc2)cc1 ZINC000001396773 563282249 /nfs/dbraw/zinc/28/22/49/563282249.db2.gz BUBMOSBBSGEWRG-UHFFFAOYSA-N 0 0 302.399 3.843 50 0 DHAARN COc1cc(NC(=O)Nc2ccccc2)c(C(C)=O)cc1OC ZINC000001398050 563282752 /nfs/dbraw/zinc/28/27/52/563282752.db2.gz VHDSYKAMQIQOLM-UHFFFAOYSA-N 0 0 314.341 3.550 50 0 DHAARN Cc1cc(CNC(=O)CCc2ccccc2)c2ccccc2n1 ZINC000001423769 563283541 /nfs/dbraw/zinc/28/35/41/563283541.db2.gz LBICNRVWTMSCJX-UHFFFAOYSA-N 0 0 304.393 3.792 50 0 DHAARN COc1ccccc1-c1oc2cc(Cl)ccc2c(=O)c1O ZINC000001461290 563284038 /nfs/dbraw/zinc/28/40/38/563284038.db2.gz JYLLGOIYJHXEFC-UHFFFAOYSA-N 0 0 302.713 3.828 50 0 DHAARN O=C1CCC(=O)N1c1ccc(-c2nc3ccccc3s2)cc1 ZINC000001518562 563284947 /nfs/dbraw/zinc/28/49/47/563284947.db2.gz GYUIEFOSAGYLDQ-UHFFFAOYSA-N 0 0 308.362 3.617 50 0 DHAARN Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000001577557 563285613 /nfs/dbraw/zinc/28/56/13/563285613.db2.gz FPKMDVFAXRQSIY-UHFFFAOYSA-N 0 0 310.397 3.888 50 0 DHAARN C[C@H](NC(=O)CCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000001794703 563295947 /nfs/dbraw/zinc/29/59/47/563295947.db2.gz ZIOLALPBWHSEBJ-HOTGVXAUSA-N 0 0 324.424 3.521 50 0 DHAARN CN(Cc1c(Cl)nc2sccn12)C(=O)C1(C)CCCC1 ZINC000071889640 563297539 /nfs/dbraw/zinc/29/75/39/563297539.db2.gz KWRYYABQLWBIHY-UHFFFAOYSA-N 0 0 311.838 3.588 50 0 DHAARN CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002015510 563297851 /nfs/dbraw/zinc/29/78/51/563297851.db2.gz CLVOYFRAZKMSPF-UHFFFAOYSA-N 0 0 303.855 3.931 50 0 DHAARN Cn1c(SCCCc2ccccc2)nnc1-c1ccncc1 ZINC000002128613 563300105 /nfs/dbraw/zinc/30/01/05/563300105.db2.gz YPBZMMQAHLQXIP-UHFFFAOYSA-N 0 0 310.426 3.602 50 0 DHAARN CN(C(=S)NC(=O)/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000002136828 563300190 /nfs/dbraw/zinc/30/01/90/563300190.db2.gz MZHJDIIALSJEHS-FMIVXFBMSA-N 0 0 320.433 3.505 50 0 DHAARN CCCOc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 ZINC000002137068 563300283 /nfs/dbraw/zinc/30/02/83/563300283.db2.gz MTZYMLQRWHILOO-UHFFFAOYSA-N 0 0 324.332 3.801 50 0 biogenic DHAARN CCCCC(=O)NC(=S)Nc1ccccc1N1CCCCC1 ZINC000002159903 563300766 /nfs/dbraw/zinc/30/07/66/563300766.db2.gz HOWUELODSAXZIY-UHFFFAOYSA-N 0 0 319.474 3.680 50 0 DHAARN CC(C)(C)CC(C)(C)NC(=O)CSc1nc2ccccc2[nH]1 ZINC000002248487 563302470 /nfs/dbraw/zinc/30/24/70/563302470.db2.gz TUTZTQBCVCDFLK-UHFFFAOYSA-N 0 0 319.474 3.986 50 0 DHAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)o1 ZINC000002430925 563303602 /nfs/dbraw/zinc/30/36/02/563303602.db2.gz UMQPUGUWGHDVAG-UHFFFAOYSA-N 0 0 318.329 3.752 50 0 DHAARN COc1cccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)c1 ZINC000002444376 563303884 /nfs/dbraw/zinc/30/38/84/563303884.db2.gz ROJAXROLRVQJKB-UHFFFAOYSA-N 0 0 322.360 3.869 50 0 DHAARN OCc1cn(-c2ccc(F)cc2F)nc1-c1ccc(Cl)cc1 ZINC000002541917 563308210 /nfs/dbraw/zinc/30/82/10/563308210.db2.gz BXGDCIUMBQVZOR-UHFFFAOYSA-N 0 0 320.726 3.963 50 0 DHAARN O=C1NC(=S)SC1=Cc1ccccc1Br ZINC000002536890 563308310 /nfs/dbraw/zinc/30/83/10/563308310.db2.gz HCQIPSCNDYWABJ-VMPITWQZSA-N 0 0 300.202 3.778 50 0 DHAARN CCOP(=O)(CCCP(=O)(OCC)OCC)OCC ZINC000002563418 563308926 /nfs/dbraw/zinc/30/89/26/563308926.db2.gz LJQJJGQRJQSYQN-UHFFFAOYSA-N 0 0 316.271 3.909 50 0 DHAARN O=C(c1ccccc1)c1ccc(I)cc1 ZINC000002562420 563308995 /nfs/dbraw/zinc/30/89/95/563308995.db2.gz OCAJMURFVZWFPX-UHFFFAOYSA-N 0 0 308.118 3.522 50 0 DHAARN C[C@@H]1Cc2nc(NC(=O)C=Cc3ccccc3)sc2C(=O)C1 ZINC000002562055 563309160 /nfs/dbraw/zinc/30/91/60/563309160.db2.gz BECDVWHGKFPJNO-WSKFYRRCSA-N 0 0 312.394 3.560 50 0 DHAARN COc1ccc(Br)c(C(=O)c2ccc(F)cc2)c1 ZINC000002567547 563309917 /nfs/dbraw/zinc/30/99/17/563309917.db2.gz HVHCXFXBHLGHHQ-UHFFFAOYSA-N 0 0 309.134 3.828 50 0 DHAARN CCOC(=O)CCCCC(=O)c1cc(F)c(F)c(F)c1F ZINC000002580528 563310306 /nfs/dbraw/zinc/31/03/06/563310306.db2.gz BXSVISQWJUQXOK-UHFFFAOYSA-N 0 0 306.255 3.549 50 0 DHAARN CCCOC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCC2 ZINC000002752465 563312255 /nfs/dbraw/zinc/31/22/55/563312255.db2.gz IQEZATLBIBXTMO-UHFFFAOYSA-N 0 0 321.442 3.932 50 0 DHAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc21 ZINC000002757080 563312708 /nfs/dbraw/zinc/31/27/08/563312708.db2.gz IFBONPGCXOARNV-UHFFFAOYSA-N 0 0 313.225 3.585 50 0 DHAARN S=C(Nc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 ZINC000002766958 563312917 /nfs/dbraw/zinc/31/29/17/563312917.db2.gz PSDPRLBHTXHJAS-UHFFFAOYSA-N 0 0 306.774 3.878 50 0 DHAARN O=C(c1cccc(Br)c1)N1CCc2ccccc21 ZINC000002796142 563313869 /nfs/dbraw/zinc/31/38/69/563313869.db2.gz AIWCUYSLEJNYSH-UHFFFAOYSA-N 0 0 302.171 3.652 50 0 DHAARN O=C(C(=O)N1CCCC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000002873162 563316204 /nfs/dbraw/zinc/31/62/04/563316204.db2.gz LSZIUVJVJYFTLB-UHFFFAOYSA-N 0 0 318.376 3.640 50 0 DHAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(C(C)C)cc2)n1 ZINC000002881967 563316641 /nfs/dbraw/zinc/31/66/41/563316641.db2.gz HZKFYNOBHBOCIX-UHFFFAOYSA-N 0 0 315.442 3.948 50 0 DHAARN CC(C)(C)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002883609 563316764 /nfs/dbraw/zinc/31/67/64/563316764.db2.gz UOUSVOLPRYKHCC-UHFFFAOYSA-N 0 0 300.354 3.623 50 0 biogenic DHAARN CCCOC(=O)c1c2c(sc1NC(=O)C(C)C)CCCC2 ZINC000002922581 563318090 /nfs/dbraw/zinc/31/80/90/563318090.db2.gz MDUTURHBIMDPGH-UHFFFAOYSA-N 0 0 309.431 3.788 50 0 DHAARN O=S(=O)(Oc1ccccc1)c1cc(Cl)ccc1Cl ZINC000002954231 563318338 /nfs/dbraw/zinc/31/83/38/563318338.db2.gz KTTIVPKHWGEYSS-UHFFFAOYSA-N 0 0 303.166 3.761 50 0 DHAARN O=C(Cc1ccccc1)NCCSCc1ccc(Cl)cc1 ZINC000002978507 563318960 /nfs/dbraw/zinc/31/89/60/563318960.db2.gz FFVZZIATZBPJJZ-UHFFFAOYSA-N 0 0 319.857 3.932 50 0 DHAARN CCCOc1ccc2c3c(c(=O)oc2c1OCCC)CCC3 ZINC000002993436 563319925 /nfs/dbraw/zinc/31/99/25/563319925.db2.gz VHANPLVPNDUZJT-UHFFFAOYSA-N 0 0 302.370 3.859 50 0 DHAARN CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000002992943 563320021 /nfs/dbraw/zinc/32/00/21/563320021.db2.gz JTLQQQHBFYWQSG-ZDUSSCGKSA-N 0 0 324.852 3.920 50 0 DHAARN CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002989059 563320038 /nfs/dbraw/zinc/32/00/38/563320038.db2.gz MURVSZPFOJTRAM-GFCCVEGCSA-N 0 0 303.855 3.833 50 0 DHAARN O=C(Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 ZINC000003045448 563321388 /nfs/dbraw/zinc/32/13/88/563321388.db2.gz RXMZIAGDFXNOPQ-UHFFFAOYSA-N 0 0 309.152 3.571 50 0 DHAARN CCOc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)cc1 ZINC000003099593 563322002 /nfs/dbraw/zinc/32/20/02/563322002.db2.gz NDFPALBQNOPROY-UHFFFAOYSA-N 0 0 301.729 3.539 50 0 DHAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000003147975 563322232 /nfs/dbraw/zinc/32/22/32/563322232.db2.gz SWVYGEGEBOSART-UHFFFAOYSA-N 0 0 314.360 3.606 50 0 DHAARN CCC(=O)Nc1c(CC(C)C)[nH]nc1-c1cccc(OC)c1 ZINC000034796180 563324285 /nfs/dbraw/zinc/32/42/85/563324285.db2.gz YDPJFHCMRFWJPB-UHFFFAOYSA-N 0 0 301.390 3.632 50 0 DHAARN O=C(Nc1ccn(-c2ccc(F)cc2F)n1)c1cccc(F)c1 ZINC000034909352 563324524 /nfs/dbraw/zinc/32/45/24/563324524.db2.gz WECZWCXPFPXBGC-UHFFFAOYSA-N 0 0 317.270 3.542 50 0 DHAARN Cc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccc(F)cc2F)o1 ZINC000034796500 563324667 /nfs/dbraw/zinc/32/46/67/563324667.db2.gz SURLXCLYMJYEGJ-UHFFFAOYSA-N 0 0 317.295 3.817 50 0 DHAARN Cc1nc2ccc(C)cc2n1C1CCN(C(=O)CC2CC2)CC1 ZINC000034915443 563325174 /nfs/dbraw/zinc/32/51/74/563325174.db2.gz HJUZKYYXUWHBAG-UHFFFAOYSA-N 0 0 311.429 3.617 50 0 DHAARN Cn1nc(C(=O)Nc2ccc(F)cc2)cc1-c1cccc(F)c1 ZINC000034901757 563325306 /nfs/dbraw/zinc/32/53/06/563325306.db2.gz SQFZKLIMVYJWBE-UHFFFAOYSA-N 0 0 313.307 3.618 50 0 DHAARN O=C(Cc1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000004140169 563326682 /nfs/dbraw/zinc/32/66/82/563326682.db2.gz CRURVURIRPBNAC-UHFFFAOYSA-N 0 0 300.427 3.920 50 0 DHAARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004245645 563327018 /nfs/dbraw/zinc/32/70/18/563327018.db2.gz CHNXZKVNWQUJIB-BCRJPVCJSA-N 0 0 312.453 3.883 50 0 biogenic DHAARN CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000006743596 563333595 /nfs/dbraw/zinc/33/35/95/563333595.db2.gz JCPJDKXGNZSPQW-AWEZNQCLSA-N 0 0 314.429 3.540 50 0 DHAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000006872487 563334598 /nfs/dbraw/zinc/33/45/98/563334598.db2.gz DOSMXNYCEVRZPY-UHFFFAOYSA-N 0 0 310.328 3.753 50 0 DHAARN Cc1ccc([C@H](C)NCc2nnc(Cc3ccccc3C)o2)o1 ZINC000097373993 563337878 /nfs/dbraw/zinc/33/78/78/563337878.db2.gz ARWFQJQXDYQKLV-AWEZNQCLSA-N 0 0 311.385 3.721 50 0 DHAARN c1nc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2[nH]1 ZINC000002719594 563339940 /nfs/dbraw/zinc/33/99/40/563339940.db2.gz WUNUMTMKMBPWTA-UHFFFAOYSA-N 0 0 303.325 3.889 50 0 DHAARN Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)ccc1Cl ZINC000002763022 563340555 /nfs/dbraw/zinc/34/05/55/563340555.db2.gz ARQNHBADBFHGJH-UHFFFAOYSA-N 0 0 311.715 3.944 50 0 DHAARN Cc1ccc(Cn2ccc(NC(=O)NC3CCCCC3)n2)cc1 ZINC000002762502 563340582 /nfs/dbraw/zinc/34/05/82/563340582.db2.gz XOTOXZHELXNKGV-UHFFFAOYSA-N 0 0 312.417 3.694 50 0 DHAARN CCCc1nc([C@H](NC(=O)c2ccccc2)c2ccccc2)no1 ZINC000071914368 563340759 /nfs/dbraw/zinc/34/07/59/563340759.db2.gz QFFGXDALEAGWQA-QGZVFWFLSA-N 0 0 321.380 3.542 50 0 DHAARN CCCc1nc([C@H](NC(=O)CC(C)(C)C)c2ccccc2)no1 ZINC000071914364 563340808 /nfs/dbraw/zinc/34/08/08/563340808.db2.gz SDSZAYJFCTWVON-MRXNPFEDSA-N 0 0 315.417 3.664 50 0 DHAARN Cc1ncn(Cc2nnc(-c3cc4c(s3)CCCC4)o2)c1C ZINC000097378164 563341210 /nfs/dbraw/zinc/34/12/10/563341210.db2.gz WZAASYNGAHNVFX-UHFFFAOYSA-N 0 0 314.414 3.539 50 0 DHAARN Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3C)n2)cc1 ZINC000007720113 563341321 /nfs/dbraw/zinc/34/13/21/563341321.db2.gz AXFPGIKPKUTVIZ-UHFFFAOYSA-N 0 0 321.380 3.626 50 0 DHAARN FC(F)Cn1cc(NCc2sccc2Br)cn1 ZINC000097378302 563341484 /nfs/dbraw/zinc/34/14/84/563341484.db2.gz IMHLEJXKMVDUCF-UHFFFAOYSA-N 0 0 322.178 3.584 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000002774418 563341867 /nfs/dbraw/zinc/34/18/67/563341867.db2.gz LPSYBSXWCLSWJC-HOTGVXAUSA-N 0 0 309.365 3.606 50 0 DHAARN O=C(NCc1ccc2ccccc2c1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000097379121 563342595 /nfs/dbraw/zinc/34/25/95/563342595.db2.gz GFJRXPMQEDMCDV-RBUKOAKNSA-N 0 0 324.424 3.597 50 0 DHAARN Cc1ccc(-c2nc(=S)c3c(n2CCCO)CCCC3)cc1 ZINC000002847382 563343287 /nfs/dbraw/zinc/34/32/87/563343287.db2.gz ZXHYCQWZQNIWRO-UHFFFAOYSA-N 0 0 314.454 3.849 50 0 DHAARN CCOC(=O)Oc1c(=O)c2ccccc2oc1-c1ccco1 ZINC000002888667 563343414 /nfs/dbraw/zinc/34/34/14/563343414.db2.gz CSQHWWYXUJFBII-UHFFFAOYSA-N 0 0 300.266 3.588 50 0 DHAARN O=C(NCc1ccccc1)c1cc(F)ccc1Br ZINC000008007381 563343935 /nfs/dbraw/zinc/34/39/35/563343935.db2.gz BLCODIJJLWFIOY-UHFFFAOYSA-N 0 0 308.150 3.518 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000008160473 563344792 /nfs/dbraw/zinc/34/47/92/563344792.db2.gz JIFAMRMBGYJFJS-SFHVURJKSA-N 0 0 311.381 3.805 50 0 DHAARN COc1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008571806 563347909 /nfs/dbraw/zinc/34/79/09/563347909.db2.gz UXQSPWFVDSQFSK-UHFFFAOYSA-N 0 0 322.408 3.889 50 0 DHAARN Cc1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000009087654 563351635 /nfs/dbraw/zinc/35/16/35/563351635.db2.gz OQNKHPODKFJSCC-OAHLLOKOSA-N 0 0 303.365 3.859 50 0 DHAARN Nc1nc(Nc2ccc(F)cc2)nc(-c2cc3ccccc3o2)n1 ZINC000009318274 563352855 /nfs/dbraw/zinc/35/28/55/563352855.db2.gz GERNNSBERYMMFB-UHFFFAOYSA-N 0 0 321.315 3.750 50 0 DHAARN CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009314894 563352875 /nfs/dbraw/zinc/35/28/75/563352875.db2.gz PJOYAELJCPGGFH-UHFFFAOYSA-N 0 0 322.286 3.916 50 0 DHAARN CC(C)C(=O)Nc1cccc(NC(=O)NC2CCCCC2)c1 ZINC000009231705 563352930 /nfs/dbraw/zinc/35/29/30/563352930.db2.gz PVSOIQYTGHKDSB-UHFFFAOYSA-N 0 0 303.406 3.735 50 0 DHAARN Cc1c(C(=O)c2sc3ncccc3c2N)c2ccccc2n1C ZINC000009295519 563353142 /nfs/dbraw/zinc/35/31/42/563353142.db2.gz VJDVSJPPCVVRGH-UHFFFAOYSA-N 0 0 321.405 3.910 50 0 DHAARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000010296486 563355851 /nfs/dbraw/zinc/35/58/51/563355851.db2.gz GIGWWDIHSRSLBZ-QGZVFWFLSA-N 0 0 315.344 3.636 50 0 DHAARN C[C@@H](C[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000010475473 563357294 /nfs/dbraw/zinc/35/72/94/563357294.db2.gz DAESNESEXGFIAF-LIRRHRJNSA-N 0 0 322.408 3.557 50 0 DHAARN CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC(C)C ZINC000011614129 563358003 /nfs/dbraw/zinc/35/80/03/563358003.db2.gz FYTAKJVDWVJVQK-UHFFFAOYSA-N 0 0 313.463 3.559 50 0 DHAARN O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccccc1 ZINC000011848533 563359722 /nfs/dbraw/zinc/35/97/22/563359722.db2.gz ZSSLJXUNDUZGRR-QGZVFWFLSA-N 0 0 302.329 3.800 50 0 DHAARN CCN(CC)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000011902486 563360034 /nfs/dbraw/zinc/36/00/34/563360034.db2.gz KDZAZGXVRYQSSO-UHFFFAOYSA-N 0 0 317.389 3.684 50 0 DHAARN CCOC(=O)c1cc2c(C)n(-c3ccccc3)c(C)c2ccc1=O ZINC000012139439 563362291 /nfs/dbraw/zinc/36/22/91/563362291.db2.gz ZMKNVCYTYBGMPG-UHFFFAOYSA-N 0 0 321.376 3.784 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000012138848 563362487 /nfs/dbraw/zinc/36/24/87/563362487.db2.gz CBWOZEGFFZAGTM-ZDUSSCGKSA-N 0 0 317.433 3.669 50 0 DHAARN O=C(CCc1cccnc1)N1CCC[C@@H](CCc2ccccc2)C1 ZINC000012198691 563363623 /nfs/dbraw/zinc/36/36/23/563363623.db2.gz DYTNYPZJRJDDBL-FQEVSTJZSA-N 0 0 322.452 3.886 50 0 DHAARN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CN1CCCO1 ZINC000012302768 563366251 /nfs/dbraw/zinc/36/62/51/563366251.db2.gz PMVCSOULLICTHG-UHFFFAOYSA-N 0 0 305.381 3.881 50 0 DHAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000012380981 563367659 /nfs/dbraw/zinc/36/76/59/563367659.db2.gz JCMOLVAWEFVAOJ-SNVBAGLBSA-N 0 0 320.389 3.567 50 0 DHAARN CC(C)c1ccccc1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000012383095 563368564 /nfs/dbraw/zinc/36/85/64/563368564.db2.gz HDNWBKHOFXYUMX-UHFFFAOYSA-N 0 0 307.390 3.891 50 0 DHAARN COCCSc1ncnc2c3cc(C)c(C)nc3sc21 ZINC000012409341 563368930 /nfs/dbraw/zinc/36/89/30/563368930.db2.gz ZJIOHLKXOHWNFD-UHFFFAOYSA-N 0 0 305.428 3.595 50 0 DHAARN COC(=O)c1ccc(Br)c(OCc2ccccc2)c1 ZINC000012471487 563369746 /nfs/dbraw/zinc/36/97/46/563369746.db2.gz TWPVBFXEQDHUPX-UHFFFAOYSA-N 0 0 321.170 3.815 50 0 DHAARN COc1ccc(OC)c2c(C)cc(SCc3ccon3)nc12 ZINC000012446558 563369920 /nfs/dbraw/zinc/36/99/20/563369920.db2.gz FSVGXSWNOCBINF-UHFFFAOYSA-N 0 0 316.382 3.841 50 0 DHAARN O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccn1 ZINC000012537203 563370735 /nfs/dbraw/zinc/37/07/35/563370735.db2.gz FRADAFISZLDQMH-UHFFFAOYSA-N 0 0 316.360 3.840 50 0 DHAARN O=C(Nc1cccc(Cl)c1)c1cnc2ccc(F)cc2c1O ZINC000032606236 563370772 /nfs/dbraw/zinc/37/07/72/563370772.db2.gz CFPOFHIXAPRMTJ-UHFFFAOYSA-N 0 0 316.719 3.573 50 0 DHAARN O=C(C1CCC1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000012585884 563371587 /nfs/dbraw/zinc/37/15/87/563371587.db2.gz XDGAEOHNJAGKKS-CYBMUJFWSA-N 0 0 307.384 3.936 50 0 DHAARN Cc1ccccc1[C@H]1CCN(C(=O)Cn2cccc2)CCS1 ZINC000219288735 563371663 /nfs/dbraw/zinc/37/16/63/563371663.db2.gz DODKTEQNNXMNRE-QGZVFWFLSA-N 0 0 314.454 3.503 50 0 DHAARN C[C@@H]1CN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C[C@H](C)O1 ZINC000032633741 563373219 /nfs/dbraw/zinc/37/32/19/563373219.db2.gz DTXSBQNKUWQGCI-OKILXGFUSA-N 0 0 307.393 3.507 50 0 DHAARN O=C(c1cccnc1)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000012715990 563373350 /nfs/dbraw/zinc/37/33/50/563373350.db2.gz PUQXFZZOJKMQHJ-INIZCTEOSA-N 0 0 312.388 3.706 50 0 DHAARN Cc1noc(C)c1COC(=O)c1oc2ccc(F)cc2c1C ZINC000012797435 563374206 /nfs/dbraw/zinc/37/42/06/563374206.db2.gz RKMKZBMNBPMADX-UHFFFAOYSA-N 0 0 303.289 3.842 50 0 DHAARN Cc1nc2sc3c(c2c(N2CCn4cccc4[C@@H]2C)n1)CCC3 ZINC000012909435 563375439 /nfs/dbraw/zinc/37/54/39/563375439.db2.gz UDRGNVURXAFCHU-NSHDSACASA-N 0 0 324.453 3.871 50 0 DHAARN Cc1cc(O[C@H](C)C(=O)Nc2ccncc2)cc(C)c1Cl ZINC000012951056 563375581 /nfs/dbraw/zinc/37/55/81/563375581.db2.gz QDUZFUVVDJRFHY-GFCCVEGCSA-N 0 0 304.777 3.758 50 0 DHAARN CC(C)c1ccccc1NC(=O)CCNC(=O)c1cccs1 ZINC000012975520 563376223 /nfs/dbraw/zinc/37/62/23/563376223.db2.gz FDQONBWJPLNEJS-UHFFFAOYSA-N 0 0 316.426 3.630 50 0 DHAARN O=C(c1ccccn1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012981006 563376243 /nfs/dbraw/zinc/37/62/43/563376243.db2.gz NPEMXUCFKOYASM-SFHVURJKSA-N 0 0 320.417 3.931 50 0 DHAARN CCc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)cc1 ZINC000013132141 563378821 /nfs/dbraw/zinc/37/88/21/563378821.db2.gz LZSJKABBTONJNC-IAGOWNOFSA-N 0 0 319.412 3.569 50 0 DHAARN C[C@]1(c2ccccc2)CC(c2ccccc2)=Nc2nonc2N1 ZINC000013130139 563378870 /nfs/dbraw/zinc/37/88/70/563378870.db2.gz HIIZWIAXRNBQTG-GOSISDBHSA-N 0 0 304.353 3.921 50 0 DHAARN CCOc1ccc(-c2ncncc2-c2ccc(OC)cc2)c(O)c1 ZINC000013127118 563379036 /nfs/dbraw/zinc/37/90/36/563379036.db2.gz LRLYXVMEGQFJRF-UHFFFAOYSA-N 0 0 322.364 3.924 50 0 DHAARN CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)Nc1cc(C)on1 ZINC000013326366 563380495 /nfs/dbraw/zinc/38/04/95/563380495.db2.gz PICZKUJNTPRLQU-GFCCVEGCSA-N 0 0 308.765 3.741 50 0 DHAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccncc1 ZINC000013327010 563380545 /nfs/dbraw/zinc/38/05/45/563380545.db2.gz OGNCEKWCYSGWIA-UHFFFAOYSA-N 0 0 318.398 3.696 50 0 DHAARN COc1ccc(Cl)cc1NC(=S)NCc1cccs1 ZINC000013519514 563382856 /nfs/dbraw/zinc/38/28/56/563382856.db2.gz BBELYNPZGVDRGS-UHFFFAOYSA-N 0 0 312.847 3.897 50 0 DHAARN C[C@H](Sc1ccc(N)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013578894 563383577 /nfs/dbraw/zinc/38/35/77/563383577.db2.gz HCDLLEKERCBFKF-OLZOCXBDSA-N 0 0 312.438 3.727 50 0 DHAARN C[C@@H]1CCCN(Cc2nc(Cc3ccccc3Cl)no2)C1 ZINC000013594743 563383922 /nfs/dbraw/zinc/38/39/22/563383922.db2.gz LWGNUNBNWQKDPN-GFCCVEGCSA-N 0 0 305.809 3.546 50 0 DHAARN Cc1cc(C)c2c(=O)[nH]c(SCc3ccccc3C)nc2n1 ZINC000013659213 563384680 /nfs/dbraw/zinc/38/46/80/563384680.db2.gz UTPRCADIDLJHPD-UHFFFAOYSA-N 0 0 311.410 3.536 50 0 DHAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc2ncsc2c1 ZINC000032722147 563384752 /nfs/dbraw/zinc/38/47/52/563384752.db2.gz SEZLTABPYWWKRV-CYBMUJFWSA-N 0 0 310.378 3.550 50 0 DHAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc2ncsc2c1 ZINC000032722148 563384784 /nfs/dbraw/zinc/38/47/84/563384784.db2.gz SEZLTABPYWWKRV-ZDUSSCGKSA-N 0 0 310.378 3.550 50 0 DHAARN CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000032722431 563384849 /nfs/dbraw/zinc/38/48/49/563384849.db2.gz UNAHWRAYTDXCRN-UHFFFAOYSA-N 0 0 304.415 3.558 50 0 DHAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccccn1 ZINC000032732255 563389042 /nfs/dbraw/zinc/38/90/42/563389042.db2.gz UCQFYZVUBXATQU-UHFFFAOYSA-N 0 0 304.349 3.766 50 0 DHAARN NC(=O)c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000013798559 563389593 /nfs/dbraw/zinc/38/95/93/563389593.db2.gz KDWPHFSPSVGHCF-UHFFFAOYSA-N 0 0 321.405 3.748 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1C ZINC000032753767 563390514 /nfs/dbraw/zinc/39/05/14/563390514.db2.gz WDHOZXLKSBIGLK-UHFFFAOYSA-N 0 0 300.333 3.653 50 0 DHAARN O=C(CC(F)(F)F)N1CCS[C@@H](c2cccs2)CC1 ZINC000219515919 563393442 /nfs/dbraw/zinc/39/34/42/563393442.db2.gz RPNOJLGLRZGRCZ-SNVBAGLBSA-N 0 0 309.378 3.707 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(F)cc3F)c2c1 ZINC000013961388 563393477 /nfs/dbraw/zinc/39/34/77/563393477.db2.gz VAEMEPLEFRASFK-UHFFFAOYSA-N 0 0 314.335 3.727 50 0 DHAARN Cc1ccnn1-c1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 ZINC000014016395 563394226 /nfs/dbraw/zinc/39/42/26/563394226.db2.gz AIVMKLNOYMETTG-UHFFFAOYSA-N 0 0 312.398 3.506 50 0 DHAARN COc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2OC)cc1F ZINC000032796615 563394717 /nfs/dbraw/zinc/39/47/17/563394717.db2.gz ZCLFUNOKIPVUAV-LBPRGKRZSA-N 0 0 317.360 3.676 50 0 DHAARN CC(C)c1nnc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)[nH]1 ZINC000014112672 563395358 /nfs/dbraw/zinc/39/53/58/563395358.db2.gz PTQQQOXJKZEDPC-MRVPVSSYSA-N 0 0 311.357 3.570 50 0 DHAARN Cc1nnc(SCc2ncc(-c3ccc(F)cc3)o2)s1 ZINC000014108737 563395380 /nfs/dbraw/zinc/39/53/80/563395380.db2.gz YGHBAWORVRCYPW-UHFFFAOYSA-N 0 0 307.375 3.933 50 0 DHAARN CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(C)cc(C)c2)C1=O ZINC000014095778 563395502 /nfs/dbraw/zinc/39/55/02/563395502.db2.gz KKPBLQCIDJYQKX-HXUWFJFHSA-N 0 0 322.408 3.661 50 0 DHAARN c1c[nH]c(-c2nnc(SCc3cc(-c4ccco4)on3)o2)c1 ZINC000014138512 563396281 /nfs/dbraw/zinc/39/62/81/563396281.db2.gz FHLGTXVSZCNXAW-UHFFFAOYSA-N 0 0 314.326 3.605 50 0 DHAARN COc1cccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)c1 ZINC000014197266 563397857 /nfs/dbraw/zinc/39/78/57/563397857.db2.gz GTLCAPYJPYJMSK-UHFFFAOYSA-N 0 0 313.382 3.708 50 0 DHAARN Cc1cc(CSc2nc3ccccc3c(NC3CC3)n2)on1 ZINC000014186170 563397879 /nfs/dbraw/zinc/39/78/79/563397879.db2.gz ARJOZGBYEQILEJ-UHFFFAOYSA-N 0 0 312.398 3.793 50 0 DHAARN O=C(CCc1ccc(F)c(F)c1)NCC1(c2ccccc2)CC1 ZINC000032816461 563398368 /nfs/dbraw/zinc/39/83/68/563398368.db2.gz XNFAHRRZPGDYBE-UHFFFAOYSA-N 0 0 315.363 3.745 50 0 DHAARN COc1cc(C(C)=O)ccc1OCc1nc(-c2ccccc2)no1 ZINC000014236033 563398977 /nfs/dbraw/zinc/39/89/77/563398977.db2.gz SACIJOZNEWHKOZ-UHFFFAOYSA-N 0 0 324.336 3.527 50 0 DHAARN Cc1nc(-c2ccc(CCNC(=O)C3CCC3)cc2)cs1 ZINC000032810835 563399110 /nfs/dbraw/zinc/39/91/10/563399110.db2.gz FAOGHFOYDRUIEM-UHFFFAOYSA-N 0 0 300.427 3.577 50 0 DHAARN Cc1cc(OCC(=O)Nc2cccc(Oc3ccccc3)c2)no1 ZINC000014228141 563399145 /nfs/dbraw/zinc/39/91/45/563399145.db2.gz MZITWRGJAZAHBF-UHFFFAOYSA-N 0 0 324.336 3.793 50 0 DHAARN CN(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000032809544 563399183 /nfs/dbraw/zinc/39/91/83/563399183.db2.gz JWMHCBRDLYCNRF-UHFFFAOYSA-N 0 0 316.311 3.505 50 0 DHAARN CCNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000032845768 563401478 /nfs/dbraw/zinc/40/14/78/563401478.db2.gz VBLCRQWHEZCEGA-UHFFFAOYSA-N 0 0 303.412 3.851 50 0 DHAARN CCc1ccc(CN(C)C(=O)NCCc2cccs2)cc1 ZINC000032843807 563401682 /nfs/dbraw/zinc/40/16/82/563401682.db2.gz OJHOUWZKBWXGRA-UHFFFAOYSA-N 0 0 302.443 3.695 50 0 DHAARN CN(CCOc1ccc(C(F)(F)F)cc1N)c1ccccc1 ZINC000014629468 563401772 /nfs/dbraw/zinc/40/17/72/563401772.db2.gz FJJILHBGBCHJJB-UHFFFAOYSA-N 0 0 310.319 3.803 50 0 DHAARN COc1ccccc1/C=C/C(=O)Nc1cccc2ncccc21 ZINC000014791897 563402835 /nfs/dbraw/zinc/40/28/35/563402835.db2.gz DVJPJUKDRYHXHS-VAWYXSNFSA-N 0 0 304.349 3.895 50 0 biogenic DHAARN O=C(NCCc1c[nH]c2ccccc12)NCCC1=CCCCC1 ZINC000032862487 563403367 /nfs/dbraw/zinc/40/33/67/563403367.db2.gz AVUYHTNQWFGYPG-UHFFFAOYSA-N 0 0 311.429 3.900 50 0 DHAARN O=C1NC(=S)SC1=Cc1ccc(Br)s1 ZINC000015018383 563406191 /nfs/dbraw/zinc/40/61/91/563406191.db2.gz FXJZQFCLIBCBAT-HYXAFXHYSA-N 0 0 306.231 3.840 50 0 DHAARN CCOc1ccc(C[C@@H]2c3cc(C)ccc3NC2=O)cc1OC ZINC000015017661 563406242 /nfs/dbraw/zinc/40/62/42/563406242.db2.gz KWOJMKKCUVVKSM-OAHLLOKOSA-N 0 0 311.381 3.681 50 0 DHAARN Cc1ccc(OCC(=O)NCC2(c3ccccc3)CC2)c(C)c1 ZINC000032872007 563406340 /nfs/dbraw/zinc/40/63/40/563406340.db2.gz YZRTZEHVGHPAJA-UHFFFAOYSA-N 0 0 309.409 3.530 50 0 DHAARN O=C(C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1)NC1CC1 ZINC000015072669 563406705 /nfs/dbraw/zinc/40/67/05/563406705.db2.gz DBAFJWKNPMEPBC-QGZVFWFLSA-N 0 0 315.800 3.846 50 0 DHAARN Cc1ccc2c(c1)S[C@@H](C(=O)N(C)Cc1ccsc1)C2 ZINC000032879952 563407497 /nfs/dbraw/zinc/40/74/97/563407497.db2.gz BJRVHSGLSKVPSI-OAHLLOKOSA-N 0 0 303.452 3.732 50 0 DHAARN Cc1cccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)n1 ZINC000032879603 563407607 /nfs/dbraw/zinc/40/76/07/563407607.db2.gz SAGBSBPTBVEFTC-UHFFFAOYSA-N 0 0 312.760 3.686 50 0 DHAARN O=C(NCCSc1ccccc1)c1cccc2cccnc21 ZINC000015136993 563407790 /nfs/dbraw/zinc/40/77/90/563407790.db2.gz OJNNPTCBTUVLFT-UHFFFAOYSA-N 0 0 308.406 3.757 50 0 DHAARN O=C(CCC1CCCC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000015321597 563409055 /nfs/dbraw/zinc/40/90/55/563409055.db2.gz LKUKVNOMKAPEGN-UHFFFAOYSA-N 0 0 318.808 3.830 50 0 DHAARN Cc1cccc2nc(C(=O)Nc3cccc4c3CCCC4)cn21 ZINC000015302628 563409074 /nfs/dbraw/zinc/40/90/74/563409074.db2.gz PDMPCSDPDMXUQP-UHFFFAOYSA-N 0 0 305.381 3.774 50 0 DHAARN Cc1csc2nc(CNc3cccc(Cl)c3C)cc(=O)n12 ZINC000015290609 563409151 /nfs/dbraw/zinc/40/91/51/563409151.db2.gz UEEXRLRQDLRUDB-UHFFFAOYSA-N 0 0 319.817 3.638 50 0 DHAARN Cc1ccc2nc(CNc3ccc(Cl)cc3C)cc(=O)n2c1 ZINC000015290349 563409266 /nfs/dbraw/zinc/40/92/66/563409266.db2.gz ITKUHIVREXTXOO-UHFFFAOYSA-N 0 0 313.788 3.577 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)s1 ZINC000015618842 563410038 /nfs/dbraw/zinc/41/00/38/563410038.db2.gz AAESVYYBGWRSCP-UHFFFAOYSA-N 0 0 309.774 3.815 50 0 DHAARN COc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cn1 ZINC000015616785 563410350 /nfs/dbraw/zinc/41/03/50/563410350.db2.gz QWPGLKRRUOBPLU-UHFFFAOYSA-N 0 0 322.364 3.506 50 0 DHAARN Cc1c2ccccc2sc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000015603668 563410373 /nfs/dbraw/zinc/41/03/73/563410373.db2.gz SCYYRGDBKNXATI-UHFFFAOYSA-N 0 0 323.377 3.632 50 0 DHAARN 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CN(C)c1cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)ccn1 ZINC000071935249 563415562 /nfs/dbraw/zinc/41/55/62/563415562.db2.gz BSBJAFKJROXWGJ-IBGZPJMESA-N 0 0 323.440 3.809 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1Cl ZINC000010641886 563415574 /nfs/dbraw/zinc/41/55/74/563415574.db2.gz HSXOOZYWWBWRIB-CYBMUJFWSA-N 0 0 314.772 3.713 50 0 DHAARN Cc1nc2cc(NC(=O)CCn3ccc4ccccc43)ccc2[nH]1 ZINC000010657215 563415616 /nfs/dbraw/zinc/41/56/16/563415616.db2.gz RYPXLJMIGWLVOD-UHFFFAOYSA-N 0 0 318.380 3.855 50 0 DHAARN Nc1cc(Br)ccc1N1CCc2ccccc2C1 ZINC000019510180 563415703 /nfs/dbraw/zinc/41/57/03/563415703.db2.gz CKXADHMXUGFFCQ-UHFFFAOYSA-N 0 0 303.203 3.594 50 0 DHAARN CN(C)c1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccn1 ZINC000071935250 563415740 /nfs/dbraw/zinc/41/57/40/563415740.db2.gz BSBJAFKJROXWGJ-LJQANCHMSA-N 0 0 323.440 3.809 50 0 DHAARN COc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000020538186 563416675 /nfs/dbraw/zinc/41/66/75/563416675.db2.gz YOBJJSBLECSIGD-LLVKDONJSA-N 0 0 318.348 3.726 50 0 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/nfs/dbraw/zinc/43/68/05/563436805.db2.gz FCJZTODJYZJPNX-UHFFFAOYSA-N 0 0 309.818 3.868 50 0 DHAARN COc1cc(OC)cc(C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000030547484 563437108 /nfs/dbraw/zinc/43/71/08/563437108.db2.gz YXHIRVATLINPFL-LLVKDONJSA-N 0 0 317.410 3.525 50 0 DHAARN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc2cc[nH]c2c1 ZINC000072292255 563437572 /nfs/dbraw/zinc/43/75/72/563437572.db2.gz HIJYVBBGYCBDJQ-QGZVFWFLSA-N 0 0 322.364 3.588 50 0 DHAARN Cn1ccnc1[C@H](NCc1ccccc1F)c1ccc(F)cc1 ZINC000030644472 563437684 /nfs/dbraw/zinc/43/76/84/563437684.db2.gz XHBUUXKIUVTYCU-QGZVFWFLSA-N 0 0 313.351 3.578 50 0 DHAARN C[C@H]1CCCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 ZINC000072292861 563437770 /nfs/dbraw/zinc/43/77/70/563437770.db2.gz KVEPKZOURQZPEW-UGSOOPFHSA-N 0 0 324.465 3.519 50 0 DHAARN CC[C@H]1CN(C(=O)C2c3ccccc3Oc3ccccc32)CCO1 ZINC000030856899 563439175 /nfs/dbraw/zinc/43/91/75/563439175.db2.gz RSLYAGOYJCZNSP-AWEZNQCLSA-N 0 0 323.392 3.562 50 0 DHAARN CCc1ccc(S(=O)(=O)Oc2cccc3cccnc32)cc1 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O=C(NC1CCCC1)c1nc2ccccn2c1-c1ccc(F)cc1 ZINC000097939351 563461231 /nfs/dbraw/zinc/46/12/31/563461231.db2.gz YFCXMNTXAQJFEQ-UHFFFAOYSA-N 0 0 323.371 3.813 50 0 DHAARN CC1=C(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)CCCO1 ZINC000119290445 563461296 /nfs/dbraw/zinc/46/12/96/563461296.db2.gz XCBVFEBSMVWKIQ-SJCJKPOMSA-N 0 0 315.413 3.978 50 0 DHAARN O=C(Nc1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000041173569 563461640 /nfs/dbraw/zinc/46/16/40/563461640.db2.gz GUBYNFFRVDJEFR-INIZCTEOSA-N 0 0 316.788 3.945 50 0 DHAARN CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 ZINC000044935474 563464270 /nfs/dbraw/zinc/46/42/70/563464270.db2.gz AKADPJAEOQUJID-LJQANCHMSA-N 0 0 319.408 3.813 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000044933558 563464447 /nfs/dbraw/zinc/46/44/47/563464447.db2.gz AJCCATIBLWIARS-INIZCTEOSA-N 0 0 319.408 3.731 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)on1 ZINC000047336911 563465962 /nfs/dbraw/zinc/46/59/62/563465962.db2.gz NARQOAGRQUJCQM-AWEZNQCLSA-N 0 0 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DHAARN CCc1cc([C@@H]2CCCN2Cc2cccc(OC)c2OC)on1 ZINC000064666984 563485897 /nfs/dbraw/zinc/48/58/97/563485897.db2.gz WHPKKSLNNJUDRV-HNNXBMFYSA-N 0 0 316.401 3.591 50 0 DHAARN Cc1ccc(Nc2nc3ccncc3n(C(C)C)c2=O)cc1F ZINC000097945129 563486609 /nfs/dbraw/zinc/48/66/09/563486609.db2.gz JSYKZOGKWQYCBE-UHFFFAOYSA-N 0 0 312.348 3.564 50 0 DHAARN Cc1ccc(C)c(CNc2nc3ccncc3n(C(C)C)c2=O)c1 ZINC000097945118 563487063 /nfs/dbraw/zinc/48/70/63/563487063.db2.gz WOAJZRXLSSYATM-UHFFFAOYSA-N 0 0 322.412 3.601 50 0 DHAARN CCc1nccn1Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000067540866 563487859 /nfs/dbraw/zinc/48/78/59/563487859.db2.gz PHZBLRFFEIOWSV-UHFFFAOYSA-N 0 0 303.312 3.735 50 0 DHAARN CNC(=O)c1cccc(-n2ccnc2-c2ccc(Cl)s2)c1 ZINC000067654517 563488790 /nfs/dbraw/zinc/48/87/90/563488790.db2.gz KUULMWCGRKLIRY-UHFFFAOYSA-N 0 0 317.801 3.614 50 0 DHAARN CC(C)CC[C@@H](C)NC(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000067726575 563489700 /nfs/dbraw/zinc/48/97/00/563489700.db2.gz RWYKREGWHBXBGO-CQSZACIVSA-N 0 0 315.417 3.543 50 0 DHAARN OCc1ccc(-c2nccn2CCc2ccccc2Cl)o1 ZINC000067847822 563492275 /nfs/dbraw/zinc/49/22/75/563492275.db2.gz SGOPMASIHZLQQD-UHFFFAOYSA-N 0 0 302.761 3.532 50 0 DHAARN Cc1cccnc1CN(C)C(=O)c1cccc(-c2ccco2)c1 ZINC000067881270 563493169 /nfs/dbraw/zinc/49/31/69/563493169.db2.gz PUJNKLJLFCGYOB-UHFFFAOYSA-N 0 0 306.365 3.922 50 0 DHAARN CCNC(=O)c1ccccc1-c1cc2ccccc2nc1OC ZINC000067894604 563493376 /nfs/dbraw/zinc/49/33/76/563493376.db2.gz DEENTCXSDOIGLO-UHFFFAOYSA-N 0 0 306.365 3.660 50 0 DHAARN COc1ccc(OC)c(-n2ccnc2-c2coc(C(C)C)n2)c1 ZINC000067956385 563493930 /nfs/dbraw/zinc/49/39/30/563493930.db2.gz YHAADPCDULLCHL-UHFFFAOYSA-N 0 0 313.357 3.668 50 0 DHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN(C)CC1(CO)CC1 ZINC000067975201 563494324 /nfs/dbraw/zinc/49/43/24/563494324.db2.gz ZVXJVZBCJKOTEA-UHFFFAOYSA-N 0 0 320.820 3.508 50 0 DHAARN C[C@H](c1nccs1)n1ccnc1-c1ccc(-n2cccn2)cc1 ZINC000067982797 563494787 /nfs/dbraw/zinc/49/47/87/563494787.db2.gz SLFJEVODOQXEDE-CYBMUJFWSA-N 0 0 321.409 3.802 50 0 DHAARN O=C(Oc1ccc2ccc(=O)oc2c1)c1cc2ccccc2o1 ZINC000000028948 563495886 /nfs/dbraw/zinc/49/58/86/563495886.db2.gz QCSCJNUGOXJJSR-UHFFFAOYSA-N 0 0 306.273 3.758 50 0 DHAARN CN1CCN(C(=O)Nc2cccc(Cl)c2)c2ccccc21 ZINC000033127060 563497024 /nfs/dbraw/zinc/49/70/24/563497024.db2.gz GTUFBQHDEMAOIU-UHFFFAOYSA-N 0 0 301.777 3.828 50 0 DHAARN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCc1ccncc1 ZINC000070884823 563497739 /nfs/dbraw/zinc/49/77/39/563497739.db2.gz PTKBIPVMBLEPFR-INIZCTEOSA-N 0 0 310.441 3.887 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000033149319 563497804 /nfs/dbraw/zinc/49/78/04/563497804.db2.gz COUHDOLLNWCSAE-INIZCTEOSA-N 0 0 314.772 3.780 50 0 DHAARN COCCCNC(=O)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140120 563497853 /nfs/dbraw/zinc/49/78/53/563497853.db2.gz YWKWGNNEXCENDM-UHFFFAOYSA-N 0 0 320.392 3.668 50 0 DHAARN O=C(Nc1ccccc1F)c1cc(-c2cccc(F)c2)no1 ZINC000033146351 563497873 /nfs/dbraw/zinc/49/78/73/563497873.db2.gz LDXUJRJPTHSAFP-UHFFFAOYSA-N 0 0 300.264 3.872 50 0 DHAARN O=C(Oc1ccc2sc(=O)oc2c1)c1sccc1Cl ZINC000071405113 563499767 /nfs/dbraw/zinc/49/97/67/563499767.db2.gz PRULKPTZCLXSKI-UHFFFAOYSA-N 0 0 312.755 3.789 50 0 DHAARN c1cc(C2CCCC2)nc(NCc2noc(C3CCCC3)n2)n1 ZINC000071775651 563500589 /nfs/dbraw/zinc/50/05/89/563500589.db2.gz YWOKDJHCDVGYKP-UHFFFAOYSA-N 0 0 313.405 3.787 50 0 DHAARN Cc1cc(C)c2[nH]c(=O)c(-c3nccn3Cc3ccco3)cc2c1 ZINC000071639725 563500665 /nfs/dbraw/zinc/50/06/65/563500665.db2.gz XWYXNERHQBOUKH-UHFFFAOYSA-N 0 0 319.364 3.650 50 0 DHAARN CCNc1ccc(Br)cc1NC(=O)c1cc[nH]c1C ZINC000097048608 563504164 /nfs/dbraw/zinc/50/41/64/563504164.db2.gz ICEXRHYPZAAVPS-UHFFFAOYSA-N 0 0 322.206 3.770 50 0 DHAARN COc1ccc2oc([C@@H](C)NCc3nnc(C)s3)c(C)c2c1 ZINC000097057273 563504387 /nfs/dbraw/zinc/50/43/87/563504387.db2.gz OKFCAIMMXXUBRW-SNVBAGLBSA-N 0 0 317.414 3.761 50 0 DHAARN CO[C@@H](C)c1cccc(NC(=O)NC[C@@H](C)c2nccs2)c1 ZINC000097113217 563506059 /nfs/dbraw/zinc/50/60/59/563506059.db2.gz QTQNVMFWVHTMTE-NEPJUHHUSA-N 0 0 319.430 3.776 50 0 DHAARN Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2cc(C)oc2C)n1 ZINC000097110436 563506205 /nfs/dbraw/zinc/50/62/05/563506205.db2.gz JVBIFXMVWKJKQS-CABZTGNLSA-N 0 0 321.446 3.825 50 0 DHAARN CCOC(=O)c1ccc(-c2nnc(-c3ccccc3OC)o2)cc1 ZINC000000033766 563506289 /nfs/dbraw/zinc/50/62/89/563506289.db2.gz KCRKGMUUYUKVMS-UHFFFAOYSA-N 0 0 324.336 3.589 50 0 DHAARN O[C@H](COc1ccccc1Br)c1ccccc1F ZINC000097139535 563506566 /nfs/dbraw/zinc/50/65/66/563506566.db2.gz GIPSVWRLIPZORM-CYBMUJFWSA-N 0 0 311.150 3.701 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccsc1 ZINC000097147339 563506756 /nfs/dbraw/zinc/50/67/56/563506756.db2.gz YMDHKGVRQXSIFZ-LLVKDONJSA-N 0 0 320.462 3.568 50 0 DHAARN C[C@H](NC(=O)N[C@H]1CCCc2sccc21)c1cccnc1 ZINC000097161939 563507488 /nfs/dbraw/zinc/50/74/88/563507488.db2.gz MZSCKRXXMQLMEF-FZMZJTMJSA-N 0 0 301.415 3.581 50 0 DHAARN c1csc(CC[C@@H]2CCCCN2Cc2nnc(C3CC3)o2)c1 ZINC000077287719 563508520 /nfs/dbraw/zinc/50/85/20/563508520.db2.gz QHOGGPYRCCJNNE-AWEZNQCLSA-N 0 0 317.458 3.996 50 0 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/nfs/dbraw/zinc/53/38/20/563533820.db2.gz JBBIHPNGBQECDK-SNVBAGLBSA-N 0 0 318.760 3.872 50 0 DHAARN CC(C)N(C(=O)c1ccccc1-c1cnc2cccnn21)C(C)C ZINC000096140675 563533888 /nfs/dbraw/zinc/53/38/88/563533888.db2.gz SSQZVTXSTKRLAJ-UHFFFAOYSA-N 0 0 322.412 3.655 50 0 DHAARN C[C@H](NC(=O)c1cc(Br)ccc1O)c1ccccc1 ZINC000011639367 563538439 /nfs/dbraw/zinc/53/84/39/563538439.db2.gz WVEYOGNSXPJTNJ-JTQLQIEISA-N 0 0 320.186 3.646 50 0 DHAARN COP(=O)(OC)[C@H](/C=C(/Cl)c1ccccc1)N(C)C ZINC000033376627 563538452 /nfs/dbraw/zinc/53/84/52/563538452.db2.gz BYTZWWDLTWSOGT-RSKUSDAESA-N 0 0 303.726 3.640 50 0 DHAARN CC[C@H](C)c1ccc(NC(=O)NCCCc2ncc[nH]2)cc1 ZINC000097446932 563539595 /nfs/dbraw/zinc/53/95/95/563539595.db2.gz WKRCFGFTPZKTKY-ZDUSSCGKSA-N 0 0 300.406 3.678 50 0 DHAARN C[C@@H]1CCCN(c2ncnc3ccc(Br)cc32)C1 ZINC000000099153 563539683 /nfs/dbraw/zinc/53/96/83/563539683.db2.gz GCUWWIJRHOSIAG-SNVBAGLBSA-N 0 0 306.207 3.629 50 0 DHAARN CCC[C@H](NC(=O)CCc1[nH]nc(C)c1C)c1cccs1 ZINC000097602178 563540022 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/nfs/dbraw/zinc/69/43/13/563694313.db2.gz TXQKUJOONPKLKQ-ZDUSSCGKSA-N 0 0 305.422 3.900 50 0 DHAARN CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(C)no2)s1 ZINC000048260745 563694348 /nfs/dbraw/zinc/69/43/48/563694348.db2.gz CFYJBBNVDBFWCI-LBPRGKRZSA-N 0 0 319.430 3.678 50 0 DHAARN COC(=O)c1cccc(C(=O)N[C@@H](C)c2cc(C)sc2C)c1 ZINC000048236768 563694350 /nfs/dbraw/zinc/69/43/50/563694350.db2.gz RNIYXNANWGADJV-NSHDSACASA-N 0 0 317.410 3.643 50 0 DHAARN O=C(NCCSc1ccccc1)Nc1cc(F)cc(F)c1 ZINC000048312501 563696264 /nfs/dbraw/zinc/69/62/64/563696264.db2.gz MZPBUOOLBFAHJM-UHFFFAOYSA-N 0 0 308.353 3.879 50 0 DHAARN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 ZINC000048331734 563696478 /nfs/dbraw/zinc/69/64/78/563696478.db2.gz UFYLLASLAFWIGI-HUUCEWRRSA-N 0 0 314.429 3.644 50 0 DHAARN Cc1ccc(CN(C)C(=O)[C@H](C)N2CCc3ccccc32)c(C)c1 ZINC000048339772 563697082 /nfs/dbraw/zinc/69/70/82/563697082.db2.gz JBZRHGAGICQNQZ-KRWDZBQOSA-N 0 0 322.452 3.713 50 0 DHAARN Cc1ccccc1C[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000048784780 563699664 /nfs/dbraw/zinc/69/96/64/563699664.db2.gz UJFBZXIRRNQWIA-UHFFFAOYSA-N 0 0 311.429 3.815 50 0 DHAARN NC(=O)c1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000048782619 563699854 /nfs/dbraw/zinc/69/98/54/563699854.db2.gz CTQCOZYFYMACGE-HNNXBMFYSA-N 0 0 322.330 3.569 50 0 DHAARN O=C(NCC1(c2cccs2)CCCCC1)c1ccncc1 ZINC000049521068 563701721 /nfs/dbraw/zinc/70/17/21/563701721.db2.gz VCXQGWCZPDNBKG-UHFFFAOYSA-N 0 0 300.427 3.775 50 0 DHAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc2nccnc21 ZINC000049546311 563701781 /nfs/dbraw/zinc/70/17/81/563701781.db2.gz ZVJXLJPLPJETQH-GFCCVEGCSA-N 0 0 321.384 3.705 50 0 DHAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(Cl)cc1 ZINC000049412395 563701845 /nfs/dbraw/zinc/70/18/45/563701845.db2.gz MVFUVYPLNXXALJ-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1cnn2Cc1ccccc1 ZINC000049546601 563701899 /nfs/dbraw/zinc/70/18/99/563701899.db2.gz IZCGXAARCAUZKG-CQSZACIVSA-N 0 0 322.368 3.660 50 0 DHAARN CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC ZINC000000618204 563702344 /nfs/dbraw/zinc/70/23/44/563702344.db2.gz MMKXHTDCKLZHIM-UHFFFAOYSA-N 0 0 311.341 3.596 50 0 in-vitro DHAARN Cc1nc2ccc(C(=O)N[C@H](c3cc(C)ccn3)C3CC3)cc2o1 ZINC000215255409 563704601 /nfs/dbraw/zinc/70/46/01/563704601.db2.gz WUTMJISJFRYLIJ-SFHVURJKSA-N 0 0 321.380 3.721 50 0 DHAARN COC(=O)c1sccc1NC(=O)c1cccc2ccccc21 ZINC000002737373 563705751 /nfs/dbraw/zinc/70/57/51/563705751.db2.gz LTALJMUQUNCZEC-UHFFFAOYSA-N 0 0 311.362 3.940 50 0 DHAARN CSc1nc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000215514473 563706163 /nfs/dbraw/zinc/70/61/63/563706163.db2.gz SNJBPZLSEXAZCA-CYBMUJFWSA-N 0 0 318.467 3.885 50 0 DHAARN CCOc1ccc(CN(C)Cc2nc(C3CC3)no2)cc1Cl ZINC000215570777 563706516 /nfs/dbraw/zinc/70/65/16/563706516.db2.gz KYDZLJBSWFDHFF-UHFFFAOYSA-N 0 0 321.808 3.631 50 0 DHAARN O=c1c(Cl)c(Nc2ccc(F)cc2)cnn1-c1ccccc1 ZINC000006948696 563709888 /nfs/dbraw/zinc/70/98/88/563709888.db2.gz YGMJZYYXGDSTQT-UHFFFAOYSA-N 0 0 315.735 3.769 50 0 DHAARN COc1ccccc1C(=O)Nc1cc(C)nc2c(OC)cccc12 ZINC000012322573 563713102 /nfs/dbraw/zinc/71/31/02/563713102.db2.gz YPRIFHGNWOEOTL-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN O=C(NCc1ccncc1)c1ccccc1OCc1ccccc1 ZINC000007986487 563718160 /nfs/dbraw/zinc/71/81/60/563718160.db2.gz GIOBGCNOSDVISD-UHFFFAOYSA-N 0 0 318.376 3.591 50 0 DHAARN CCSc1nnc(NC(=O)C2(c3ccccc3)CCC2)s1 ZINC000008114174 563719093 /nfs/dbraw/zinc/71/90/93/563719093.db2.gz QUWINEQRSAQINR-UHFFFAOYSA-N 0 0 319.455 3.711 50 0 DHAARN CC(=O)Nc1ccc(CN2c3ccccc3N3CCC[C@H]23)cc1 ZINC000008185416 563720090 /nfs/dbraw/zinc/72/00/90/563720090.db2.gz FVJOEHDQZKIHQS-IBGZPJMESA-N 0 0 307.397 3.592 50 0 DHAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cn1 ZINC000008231728 563720304 /nfs/dbraw/zinc/72/03/04/563720304.db2.gz UEZJKRQNUBYARA-UHFFFAOYSA-N 0 0 312.300 3.742 50 0 DHAARN Cc1ccccc1CC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000024941544 563720387 /nfs/dbraw/zinc/72/03/87/563720387.db2.gz HBEAAORRLJRQLS-UHFFFAOYSA-N 0 0 322.408 3.693 50 0 DHAARN CC(C)(C)NC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 ZINC000000817613 563720632 /nfs/dbraw/zinc/72/06/32/563720632.db2.gz MOLZVRIHRNDGSC-UHFFFAOYSA-N 0 0 314.429 3.785 50 0 DHAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc2c(c1)OCO2 ZINC000390832263 563720783 /nfs/dbraw/zinc/72/07/83/563720783.db2.gz YGPCSFZQICHDLA-UHFFFAOYSA-N 0 0 321.332 3.605 50 0 DHAARN CCSc1ccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000221256173 563723183 /nfs/dbraw/zinc/72/31/83/563723183.db2.gz BQEAPBGSDOMYKT-LLVKDONJSA-N 0 0 321.471 3.603 50 0 DHAARN O=C1C(=Cc2ccccc2)NC(=S)N1c1ccc(Cl)cc1 ZINC000000456354 563725156 /nfs/dbraw/zinc/72/51/56/563725156.db2.gz CNQSTJDEJRAQBH-GXDHUFHOSA-N 0 0 314.797 3.602 50 0 DHAARN CC[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1cc(C)ccn1 ZINC000222974659 563730102 /nfs/dbraw/zinc/73/01/02/563730102.db2.gz YGALRHGNFYSATG-CQSZACIVSA-N 0 0 320.339 3.873 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCCOCc2ccccc2)nc1 ZINC000223076180 563730455 /nfs/dbraw/zinc/73/04/55/563730455.db2.gz VQQCXDRRSSLCKN-MRXNPFEDSA-N 0 0 312.413 3.564 50 0 DHAARN CCc1cc(CNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)on1 ZINC000223191549 563731159 /nfs/dbraw/zinc/73/11/59/563731159.db2.gz KQWKXIJUEBGDMM-FQEVSTJZSA-N 0 0 324.424 3.755 50 0 DHAARN O=C(NCc1ccccc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000027605563 563740139 /nfs/dbraw/zinc/74/01/39/563740139.db2.gz BVEHFPJEKNHISG-UHFFFAOYSA-N 0 0 304.393 3.977 50 0 DHAARN Cc1oc2ncnc(NC(=O)c3ccc(Cl)cc3)c2c1C ZINC000225398320 563753834 /nfs/dbraw/zinc/75/38/34/563753834.db2.gz MCTZQPHHSNHNJW-UHFFFAOYSA-N 0 0 301.733 3.745 50 0 DHAARN C[C@H]1CCN(Cc2cnc3cnccn23)c2ccccc2S1 ZINC000225416246 563754465 /nfs/dbraw/zinc/75/44/65/563754465.db2.gz WOMVKGNUCAJGAY-ZDUSSCGKSA-N 0 0 310.426 3.620 50 0 DHAARN C[C@@H]1CCN(Cc2cnc3cnccn23)c2ccccc2S1 ZINC000225416200 563754474 /nfs/dbraw/zinc/75/44/74/563754474.db2.gz WOMVKGNUCAJGAY-CYBMUJFWSA-N 0 0 310.426 3.620 50 0 DHAARN Fc1cccnc1NCc1ccnc(OC2CCCCC2)c1 ZINC000225462310 563755860 /nfs/dbraw/zinc/75/58/60/563755860.db2.gz RDAPTCCMGZSEFG-UHFFFAOYSA-N 0 0 301.365 3.939 50 0 DHAARN O=C(NCC(F)(F)F)N1CC2(CCCC2)c2cccc(F)c21 ZINC000225458579 563756082 /nfs/dbraw/zinc/75/60/82/563756082.db2.gz RAFSVLHSPAOGIE-UHFFFAOYSA-N 0 0 316.298 3.729 50 0 DHAARN Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1cccnc1 ZINC000225558788 563758635 /nfs/dbraw/zinc/75/86/35/563758635.db2.gz FAJXCFQPXLYLOA-UHFFFAOYSA-N 0 0 318.380 3.705 50 0 DHAARN COc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000225548652 563758751 /nfs/dbraw/zinc/75/87/51/563758751.db2.gz RFFILCHFRBDDJH-CYBMUJFWSA-N 0 0 317.335 3.603 50 0 DHAARN COCC1(CNC(=O)[C@H](Sc2ccccc2)C(C)C)CCC1 ZINC000225707962 563760724 /nfs/dbraw/zinc/76/07/24/563760724.db2.gz HRUVSKZKTSWNEY-MRXNPFEDSA-N 0 0 321.486 3.736 50 0 DHAARN C[C@H](c1ccccc1)[C@@H](CC(N)=O)c1cn(C)c2ccccc12 ZINC000096275847 563761712 /nfs/dbraw/zinc/76/17/12/563761712.db2.gz KNPQERXNURDMQI-RHSMWYFYSA-N 0 0 306.409 3.941 50 0 DHAARN CC(C)[C@H](Nc1ncnc2c3ccccc3oc21)c1ncc[nH]1 ZINC000225814695 563764276 /nfs/dbraw/zinc/76/42/76/563764276.db2.gz WTGZOVVUXNYQHA-ZDUSSCGKSA-N 0 0 307.357 3.908 50 0 DHAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccncc1 ZINC000000861579 563772916 /nfs/dbraw/zinc/77/29/16/563772916.db2.gz UGSQPVZOTCDDDV-UHFFFAOYSA-N 0 0 314.348 3.877 50 0 DHAARN CSc1ccc2nc(NC(=O)c3cc(C)no3)sc2c1 ZINC000012422464 563774606 /nfs/dbraw/zinc/77/46/06/563774606.db2.gz DKSGIOXSDLGBDS-UHFFFAOYSA-N 0 0 305.384 3.567 50 0 DHAARN Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)c2nccc(C)c2c1 ZINC000240534513 563776663 /nfs/dbraw/zinc/77/66/63/563776663.db2.gz GOERWNBDIGPOOQ-UHFFFAOYSA-N 0 0 307.353 3.513 50 0 DHAARN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(C2CC2)on1 ZINC000241588031 563777028 /nfs/dbraw/zinc/77/70/28/563777028.db2.gz OZAGZCKYFZWKRO-XJKSGUPXSA-N 0 0 310.397 3.645 50 0 DHAARN CC(C)(C)N(Cc1ccccn1)C(=O)[C@H]1CCCc2cccnc21 ZINC000241316880 563777168 /nfs/dbraw/zinc/77/71/68/563777168.db2.gz LVRDWPQNZNNIEZ-KRWDZBQOSA-N 0 0 323.440 3.724 50 0 DHAARN COC(=O)c1c2c(cnn2Cc2cccc(F)c2)ccc1Cl ZINC000241774046 563778033 /nfs/dbraw/zinc/77/80/33/563778033.db2.gz RMONFYGSNOWBIM-UHFFFAOYSA-N 0 0 318.735 3.664 50 0 DHAARN COCCc1ccccc1NC(=O)NCCC[Si](C)(C)C ZINC000241897232 563778129 /nfs/dbraw/zinc/77/81/29/563778129.db2.gz TWTVKRFHTHAFSA-UHFFFAOYSA-N 0 0 308.498 3.725 50 0 DHAARN Cc1nnc(SC[C@H]2CCC(C)(C)O2)n1Cc1ccccc1 ZINC000242339034 563778399 /nfs/dbraw/zinc/77/83/99/563778399.db2.gz ZEIWKJPQUQEAER-OAHLLOKOSA-N 0 0 317.458 3.685 50 0 DHAARN Clc1cccc([C@H]2CCN(Cc3nccn3C3CC3)C2)c1 ZINC000244734835 563779130 /nfs/dbraw/zinc/77/91/30/563779130.db2.gz NMRKSVVUPURBLD-AWEZNQCLSA-N 0 0 301.821 3.861 50 0 DHAARN O=C(CNc1cccc2c1CCCC2)N1CCc2ccccc21 ZINC000015123161 563784865 /nfs/dbraw/zinc/78/48/65/563784865.db2.gz AWUWXVIXTHWYDJ-UHFFFAOYSA-N 0 0 306.409 3.567 50 0 DHAARN Cc1cc(C(=O)COC(=O)c2cc(Cl)c[nH]2)c(C)n1C(C)C ZINC000025198829 563785919 /nfs/dbraw/zinc/78/59/19/563785919.db2.gz LZTPFMYGVNUWSL-UHFFFAOYSA-N 0 0 322.792 3.707 50 0 DHAARN O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2)S1 ZINC000000975266 563785922 /nfs/dbraw/zinc/78/59/22/563785922.db2.gz CAHCXHIKGCIUCO-XNTDXEJSSA-N 0 0 311.362 3.590 50 0 DHAARN Cc1nc2sc(-c3ccccc3)cc2c(=O)n1-n1cccc1 ZINC000001006913 563787027 /nfs/dbraw/zinc/78/70/27/563787027.db2.gz AWACOTGVJWNWGJ-UHFFFAOYSA-N 0 0 307.378 3.546 50 0 DHAARN c1ccc(CN2CCC(Nc3nc4ccccc4s3)CC2)nc1 ZINC000052407583 563788168 /nfs/dbraw/zinc/78/81/68/563788168.db2.gz NEAUDQRNZZUROM-UHFFFAOYSA-N 0 0 324.453 3.768 50 0 DHAARN FC(F)Oc1ccc(Br)c(OC(F)(F)F)c1 ZINC000263623678 563794270 /nfs/dbraw/zinc/79/42/70/563794270.db2.gz JQNMAQCIFOLVSP-UHFFFAOYSA-N 0 0 307.012 3.949 50 0 DHAARN Oc1cc(Br)c(Br)cc1OC(F)F ZINC000263623988 563794477 /nfs/dbraw/zinc/79/44/77/563794477.db2.gz MKFMCFUOKOXBBL-UHFFFAOYSA-N 0 0 317.911 3.519 50 0 DHAARN CCOC(=O)[C@@H](C)Sc1cc(C(F)(F)F)cc(Cl)n1 ZINC000263622753 563794516 /nfs/dbraw/zinc/79/45/16/563794516.db2.gz AOKKJKXUHGTXJQ-ZCFIWIBFSA-N 0 0 313.728 3.798 50 0 DHAARN Fc1ccc(OC(F)F)c(Br)c1Br ZINC000263623945 563794533 /nfs/dbraw/zinc/79/45/33/563794533.db2.gz MBECANFJSXHNFE-UHFFFAOYSA-N 0 0 319.902 3.952 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324.424 3.739 50 0 DHAARN Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000012538753 563799098 /nfs/dbraw/zinc/79/90/98/563799098.db2.gz WYPBQMZFHSPKTE-UHFFFAOYSA-N 0 0 314.816 3.611 50 0 DHAARN Cc1cccc(NC(=O)CSc2ncnc3ccccc32)c1C ZINC000003244047 563799611 /nfs/dbraw/zinc/79/96/11/563799611.db2.gz LTWUBJTWFABSFS-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN Cc1ccc2cccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)c2n1 ZINC000012544155 563800719 /nfs/dbraw/zinc/80/07/19/563800719.db2.gz DWCSZDGVETVGSZ-GASCZTMLSA-N 0 0 312.413 3.712 50 0 DHAARN COc1cccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)c1 ZINC000012563462 563801885 /nfs/dbraw/zinc/80/18/85/563801885.db2.gz GKWAMJLOTBUUQF-CYBMUJFWSA-N 0 0 321.380 3.696 50 0 DHAARN Clc1ccc(SCc2nnnn2-c2ccccc2)cc1 ZINC000012569693 563802144 /nfs/dbraw/zinc/80/21/44/563802144.db2.gz VUHOEEHCMLGKPK-UHFFFAOYSA-N 0 0 302.790 3.608 50 0 DHAARN O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012573717 563802192 /nfs/dbraw/zinc/80/21/92/563802192.db2.gz ZNMKHZKGYIIHIZ-INIZCTEOSA-N 0 0 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C[C@@H]1Oc2ccccc2C=C1/C=C1/N=C(c2ccccc2)OC1=O ZINC000001481433 563839287 /nfs/dbraw/zinc/83/92/87/563839287.db2.gz CSAOVZIYSPZVLG-VLURKWGBSA-N 0 0 317.344 3.738 50 0 DHAARN O=C(C1CCC1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000085562243 563839321 /nfs/dbraw/zinc/83/93/21/563839321.db2.gz FYWCVVQGFGMKLW-CQSZACIVSA-N 0 0 314.212 3.693 50 0 DHAARN Cc1cc(NC(=O)N[C@H](C)c2ccccc2Br)no1 ZINC000053248295 563839389 /nfs/dbraw/zinc/83/93/89/563839389.db2.gz JDBOAVKDXVAQPS-SECBINFHSA-N 0 0 324.178 3.628 50 0 DHAARN CC[C@@H](C(=O)NCC[C@@H](O)c1cc(C)oc1C)c1ccccc1 ZINC000085561369 563839496 /nfs/dbraw/zinc/83/94/96/563839496.db2.gz CSOGAEFFLOXZJO-SJLPKXTDSA-N 0 0 315.413 3.630 50 0 DHAARN O=C(Nc1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012822191 563841109 /nfs/dbraw/zinc/84/11/09/563841109.db2.gz UCWNDUOFWHLVRG-UHFFFAOYSA-N 0 0 303.365 3.613 50 0 DHAARN CC(C)n1ccc2c1cccc2C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000085879846 563844339 /nfs/dbraw/zinc/84/43/39/563844339.db2.gz MSASIJCEHNYKBF-AWEZNQCLSA-N 0 0 314.429 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KDPSMJPUCPQLKG-UHFFFAOYSA-N 0 0 310.382 3.792 50 0 DHAARN OCc1ccc2c(Br)ccc(Br)c2c1 ZINC000034067816 563847412 /nfs/dbraw/zinc/84/74/12/563847412.db2.gz CWRAIVVKAOLKKW-UHFFFAOYSA-N 0 0 315.992 3.857 50 0 DHAARN CCOc1ccccc1NC(=O)OCCOc1ccccc1 ZINC000002173855 563847426 /nfs/dbraw/zinc/84/74/26/563847426.db2.gz WYRIRJXPMCNAHE-UHFFFAOYSA-N 0 0 301.342 3.713 50 0 DHAARN CC1(CC[C@]2(C)C3(C[C@]4(C)CCC[C@@]42C)OCCO3)OCCO1 ZINC000071785873 563848504 /nfs/dbraw/zinc/84/85/04/563848504.db2.gz ZKQNWBZTSDWPIH-ULQDDVLXSA-N 0 0 324.461 3.879 50 0 DHAARN CCc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000012870951 563848958 /nfs/dbraw/zinc/84/89/58/563848958.db2.gz MRZMHPXNNIHWBN-UHFFFAOYSA-N 0 0 308.381 3.628 50 0 DHAARN CSc1ccc(NC(=O)CN(C)Cc2ccsc2)cc1 ZINC000012875345 563850550 /nfs/dbraw/zinc/85/05/50/563850550.db2.gz HPYCDQMKTIAVBZ-UHFFFAOYSA-N 0 0 306.456 3.541 50 0 DHAARN CCOC1=N[C@@H]2Nc3ccccc3N(CC)[C@@H]2[C@H]1c1ccccc1 ZINC000002466285 563850769 /nfs/dbraw/zinc/85/07/69/563850769.db2.gz BRXLCVAVCONCQE-QRVBRYPASA-N 0 0 321.424 3.866 50 0 DHAARN Nc1cc(Cl)ccc1C(=O)OCc1cc(-c2ccco2)on1 ZINC000012881908 563851474 /nfs/dbraw/zinc/85/14/74/563851474.db2.gz HRRILVYBXYJPRC-UHFFFAOYSA-N 0 0 318.716 3.527 50 0 DHAARN Cc1ccc(C)c(C(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000012887727 563852768 /nfs/dbraw/zinc/85/27/68/563852768.db2.gz ZCTTZACMHIKXTK-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN CC(C)c1ccccc1OCC(=O)N[C@H]1CCc2ccccc21 ZINC000012905041 563853257 /nfs/dbraw/zinc/85/32/57/563853257.db2.gz DZNAPRRXUHWDDX-SFHVURJKSA-N 0 0 309.409 3.993 50 0 DHAARN Cc1cccc(-n2nnnc2S[C@@H](C)c2ccc(F)cc2)c1 ZINC000012904931 563853401 /nfs/dbraw/zinc/85/34/01/563853401.db2.gz UKARPTMDHRQPAC-LBPRGKRZSA-N 0 0 314.389 3.963 50 0 DHAARN Cc1cc(NC(=O)CCSCc2cc(C)cc(C)c2)no1 ZINC000012919414 563854378 /nfs/dbraw/zinc/85/43/78/563854378.db2.gz ULZQFPZOCYBWHQ-UHFFFAOYSA-N 0 0 304.415 3.862 50 0 DHAARN O=C(Nc1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012927490 563854704 /nfs/dbraw/zinc/85/47/04/563854704.db2.gz CTMMPTROEDENRX-UHFFFAOYSA-N 0 0 314.772 3.719 50 0 DHAARN C[C@@H](c1cccnc1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 ZINC000074564857 563854753 /nfs/dbraw/zinc/85/47/53/563854753.db2.gz NCTGZQHMRPCRKN-LBPRGKRZSA-N 0 0 323.352 3.695 50 0 DHAARN O=C1C=C(NCc2ccc(F)cc2)C(=O)C[C@@H](c2ccccc2)C1 ZINC000005635418 563854951 /nfs/dbraw/zinc/85/49/51/563854951.db2.gz AIGOYTAKDHAQNZ-INIZCTEOSA-N 0 0 323.367 3.515 50 0 DHAARN CCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H](C)c1cc2ccccc2o1 ZINC000075122701 563860482 /nfs/dbraw/zinc/86/04/82/563860482.db2.gz LWWIRAADUMLFHU-ZDUSSCGKSA-N 0 0 324.380 3.653 50 0 DHAARN C[C@](O)(CNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000075155367 563860641 /nfs/dbraw/zinc/86/06/41/563860641.db2.gz YVMCVMMSWSPTDE-FQEVSTJZSA-N 0 0 321.376 3.584 50 0 DHAARN CC(C)(C)C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 ZINC000075155364 563860754 /nfs/dbraw/zinc/86/07/54/563860754.db2.gz MJBHDEKBCYEQIA-FQEVSTJZSA-N 0 0 311.425 3.723 50 0 DHAARN O=C(NCc1ccc(F)cc1)N1CCC(c2cccs2)CC1 ZINC000075157082 563861200 /nfs/dbraw/zinc/86/12/00/563861200.db2.gz GTASKHTXWIYMOY-UHFFFAOYSA-N 0 0 318.417 3.976 50 0 DHAARN Cc1nnc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)s1 ZINC000063835054 563862228 /nfs/dbraw/zinc/86/22/28/563862228.db2.gz WZZJKSLJXDSYES-AWEZNQCLSA-N 0 0 316.430 3.648 50 0 DHAARN COC(=O)c1cc(NC(C)=O)c(/C=C/c2cccs2)s1 ZINC000075279351 563862638 /nfs/dbraw/zinc/86/26/38/563862638.db2.gz GMLMVSOYESVVBG-AATRIKPKSA-N 0 0 307.396 3.725 50 0 DHAARN CC(=O)Oc1ccc2oc(C)c(C(=O)NCc3ccccc3)c2c1 ZINC000075278988 563862956 /nfs/dbraw/zinc/86/29/56/563862956.db2.gz SULRKXUPVCQPGE-UHFFFAOYSA-N 0 0 323.348 3.597 50 0 DHAARN Cc1ccc2ccc3cc(C(=O)NCCc4ccco4)[nH]c3c2n1 ZINC000075346773 563863773 /nfs/dbraw/zinc/86/37/73/563863773.db2.gz AQRCGONVIWKGDX-UHFFFAOYSA-N 0 0 319.364 3.590 50 0 DHAARN C[C@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@@H](c2ccco2)C1 ZINC000075386849 563864569 /nfs/dbraw/zinc/86/45/69/563864569.db2.gz SAUUZCWZTHFDQB-SUMWQHHRSA-N 0 0 323.396 3.698 50 0 DHAARN Cc1cc(=O)n2c(nc(-c3ccccc3)c2-c2ccccc2)n1C ZINC000000390318 563865763 /nfs/dbraw/zinc/86/57/63/563865763.db2.gz QJZFHJDTABLUFM-UHFFFAOYSA-N 0 0 315.376 3.675 50 0 DHAARN CCOCc1ccc(NC(=O)NCc2nc(C)sc2C)cc1 ZINC000089224181 563866568 /nfs/dbraw/zinc/86/65/68/563866568.db2.gz YGXCFLHZZITRJY-UHFFFAOYSA-N 0 0 319.430 3.618 50 0 DHAARN CC[C@H]1CCCCN1C(=O)c1ccc(-c2cccs2)[nH]c1=O ZINC000063887684 563866631 /nfs/dbraw/zinc/86/66/31/563866631.db2.gz OHDDESLYAFHHCU-LBPRGKRZSA-N 0 0 316.426 3.508 50 0 DHAARN O=C(NCc1cccs1)N1CCC(Oc2ccsc2)CC1 ZINC000575618291 563867760 /nfs/dbraw/zinc/86/77/60/563867760.db2.gz GNIKBWRWZNMEFM-UHFFFAOYSA-N 0 0 322.455 3.563 50 0 DHAARN COc1ccc(NC(=O)NCc2cncc(-c3ccoc3)c2)cc1 ZINC000575621637 563868125 /nfs/dbraw/zinc/86/81/25/563868125.db2.gz ZOPMKNIOZUZQBR-UHFFFAOYSA-N 0 0 323.352 3.672 50 0 DHAARN O=C(C1CCCCC1)N1CC(OCc2ccc(Cl)cc2)C1 ZINC000035508988 563870881 /nfs/dbraw/zinc/87/08/81/563870881.db2.gz DUXRDUVUSONSSS-UHFFFAOYSA-N 0 0 307.821 3.648 50 0 DHAARN Clc1ccccc1C[C@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000064249459 563872971 /nfs/dbraw/zinc/87/29/71/563872971.db2.gz OXMUFUNOPPXXTA-CQSZACIVSA-N 0 0 317.820 3.808 50 0 DHAARN Cn1ccnc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000006369270 563873055 /nfs/dbraw/zinc/87/30/55/563873055.db2.gz UORWGRIWJYXAPA-UHFFFAOYSA-N 0 0 323.421 3.818 50 0 DHAARN COc1ccc2nc(NC(=O)/C=C\c3ccccc3)sc2c1 ZINC000033293298 563873352 /nfs/dbraw/zinc/87/33/52/563873352.db2.gz MMURPMJHHIRRJA-YFHOEESVSA-N 0 0 310.378 3.957 50 0 DHAARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)NCc1ccco1 ZINC000035673280 563874157 /nfs/dbraw/zinc/87/41/57/563874157.db2.gz WXHSQDIHPFXJLC-UHFFFAOYSA-N 0 0 316.744 3.826 50 0 DHAARN CCc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2C)cc1 ZINC000075508867 563878155 /nfs/dbraw/zinc/87/81/55/563878155.db2.gz FTDSQTYJRYGXRN-UHFFFAOYSA-N 0 0 319.408 3.580 50 0 DHAARN CCCCCNC(=O)/C=C/c1ccc(OCC)c(OCC)c1 ZINC000001780459 563878600 /nfs/dbraw/zinc/87/86/00/563878600.db2.gz FJRJDWNSUZGWFG-ZRDIBKRKSA-N 0 0 305.418 3.804 50 0 DHAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000000319895 563878621 /nfs/dbraw/zinc/87/86/21/563878621.db2.gz IDNKCWSLVCWDMZ-UHFFFAOYSA-N 0 0 321.833 3.786 50 0 DHAARN CC(=O)N1c2ccc(F)cc2[C@@H]2OCC[C@H]2[C@H]1c1ccco1 ZINC000239073259 563879512 /nfs/dbraw/zinc/87/95/12/563879512.db2.gz GUESWBIUECWPCJ-AFAVFJNCSA-N 0 0 301.317 3.604 50 0 DHAARN CCCN1C(=O)CCc2cc(NC(=O)c3ccsc3)ccc21 ZINC000075550013 563883535 /nfs/dbraw/zinc/88/35/35/563883535.db2.gz BTNQYJJZHKOQEX-UHFFFAOYSA-N 0 0 314.410 3.690 50 0 DHAARN C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC(=O)CC[C@@]34CO)[C@@H]1CCC2=O ZINC000253497972 563884352 /nfs/dbraw/zinc/88/43/52/563884352.db2.gz VTIPICLYPXESHJ-FCZHJMSUSA-N 0 0 318.457 3.530 50 0 DHAARN CCCNc1ccc(CNC(=O)Nc2c(C)noc2CC)cc1 ZINC000192418593 563885755 /nfs/dbraw/zinc/88/57/55/563885755.db2.gz IWLDVIXEQCNLEQ-UHFFFAOYSA-N 0 0 316.405 3.689 50 0 DHAARN Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(Cl)cc2)c1 ZINC000001943751 563886389 /nfs/dbraw/zinc/88/63/89/563886389.db2.gz GYKZSQCKKIKFFT-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000000190577 563886860 /nfs/dbraw/zinc/88/68/60/563886860.db2.gz CUGWYHUVZLIEKA-UHFFFAOYSA-N 0 0 324.332 3.548 50 0 biogenic DHAARN C[C@H]1CCC[C@@H](OCc2nnc(Cc3ccc(F)cc3)o2)C1 ZINC000521393807 563887890 /nfs/dbraw/zinc/88/78/90/563887890.db2.gz KZALPIQYIMXIOD-SWLSCSKDSA-N 0 0 304.365 3.895 50 0 DHAARN CCc1noc2ncnc(Nc3cccc(C(F)(F)F)c3)c12 ZINC000064658746 563891851 /nfs/dbraw/zinc/89/18/51/563891851.db2.gz MKDKWVFHBAINFX-UHFFFAOYSA-N 0 0 308.263 3.943 50 0 DHAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(N)=O)C2)cc1 ZINC000064665702 563892179 /nfs/dbraw/zinc/89/21/79/563892179.db2.gz YXDKAFKRMDYDBY-UHFFFAOYSA-N 0 0 323.421 3.768 50 0 DHAARN CCCNC(=O)N1CCc2nc(-c3ccc(C)cc3)sc2C1 ZINC000064660053 563892277 /nfs/dbraw/zinc/89/22/77/563892277.db2.gz QGDDGOBASLTICH-UHFFFAOYSA-N 0 0 315.442 3.596 50 0 DHAARN Cn1ccc2c1cccc2C(=O)NCCc1c[nH]c2ccccc12 ZINC000036369849 563896991 /nfs/dbraw/zinc/89/69/91/563896991.db2.gz GQWOJWGJAIYARF-UHFFFAOYSA-N 0 0 317.392 3.632 50 0 biogenic DHAARN COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1 ZINC000036395042 563898240 /nfs/dbraw/zinc/89/82/40/563898240.db2.gz YSNQTMWOQOYGNI-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN CCCCc1ccc(NC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)cc1 ZINC000006890838 563898702 /nfs/dbraw/zinc/89/87/02/563898702.db2.gz OLWQMVUFFXZNHI-BBRMVZONSA-N 0 0 320.433 3.738 50 0 DHAARN CC(=O)c1ccccc1NC(=O)CCOc1cc(C)ccc1C ZINC000006928153 563899601 /nfs/dbraw/zinc/89/96/01/563899601.db2.gz LLERHUSBMWNROD-UHFFFAOYSA-N 0 0 311.381 3.914 50 0 DHAARN Cc1nc2cc(-c3noc(COc4ccccc4)n3)ccc2o1 ZINC000065149673 563899797 /nfs/dbraw/zinc/89/97/97/563899797.db2.gz BZAOMNUSCBZDHM-UHFFFAOYSA-N 0 0 307.309 3.765 50 0 DHAARN O=C(NC1CCCC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000006940867 563899993 /nfs/dbraw/zinc/89/99/93/563899993.db2.gz UVYDCGNIEVLVAF-UHFFFAOYSA-N 0 0 309.413 3.909 50 0 DHAARN Cc1cc(COC(=O)c2ccc(OCc3ccccc3)cc2)no1 ZINC000006940460 563900041 /nfs/dbraw/zinc/90/00/41/563900041.db2.gz XYWXLTJVBCHFHE-UHFFFAOYSA-N 0 0 323.348 3.919 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000006938507 563900044 /nfs/dbraw/zinc/90/00/44/563900044.db2.gz LDWCZSHKVJNSDS-UHFFFAOYSA-N 0 0 320.295 3.786 50 0 DHAARN CCCC(=O)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180456 563900598 /nfs/dbraw/zinc/90/05/98/563900598.db2.gz FZWJYJZLYYNXFX-UHFFFAOYSA-N 0 0 307.409 3.771 50 0 DHAARN CCn1cc(C(=O)NCc2ccc(Cl)cc2)c2cccnc21 ZINC000065216640 563900959 /nfs/dbraw/zinc/90/09/59/563900959.db2.gz BCURXPIAWPQZEA-UHFFFAOYSA-N 0 0 313.788 3.640 50 0 DHAARN Cn1cc(C(=O)NCCCOC2CCCCC2)c2ccccc21 ZINC000006989297 563901015 /nfs/dbraw/zinc/90/10/15/563901015.db2.gz WKUJFAUGTGCZKK-UHFFFAOYSA-N 0 0 314.429 3.648 50 0 DHAARN O=C(NC1CC1)c1nc2ccccn2c1-c1ccc(Cl)cc1 ZINC000065232131 563901133 /nfs/dbraw/zinc/90/11/33/563901133.db2.gz NTIWCOMEBPPKRV-UHFFFAOYSA-N 0 0 311.772 3.547 50 0 DHAARN C[C@H]1CCc2c(sc3ncnc(NCc4cccnc4)c23)C1 ZINC000013136410 563901611 /nfs/dbraw/zinc/90/16/11/563901611.db2.gz ZTMKXNAZAZYOOJ-NSHDSACASA-N 0 0 310.426 3.823 50 0 DHAARN Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1C ZINC000007070523 563902110 /nfs/dbraw/zinc/90/21/10/563902110.db2.gz MPMVIJPMPFXZJP-UHFFFAOYSA-N 0 0 322.408 3.678 50 0 DHAARN CC(C)c1ccccc1NC(=O)c1ccc(Cn2cncn2)cc1 ZINC000036718849 563903687 /nfs/dbraw/zinc/90/36/87/563903687.db2.gz OHEJWAFZNAUGTJ-UHFFFAOYSA-N 0 0 320.396 3.702 50 0 DHAARN O=C(COc1ccccc1F)Nc1ncc(Cl)cc1Cl ZINC000007167278 563903862 /nfs/dbraw/zinc/90/38/62/563903862.db2.gz UAUUHYDRZFYRGP-UHFFFAOYSA-N 0 0 315.131 3.545 50 0 DHAARN CC[C@@H](NC(=O)c1cc(C)no1)c1ccc(Br)cc1 ZINC000036758581 563903940 /nfs/dbraw/zinc/90/39/40/563903940.db2.gz GJPDBMKKQALBJB-GFCCVEGCSA-N 0 0 323.190 3.627 50 0 DHAARN COc1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 ZINC000007242375 563904510 /nfs/dbraw/zinc/90/45/10/563904510.db2.gz SIRCWORAZNJPDW-ZDUSSCGKSA-N 0 0 310.397 3.623 50 0 DHAARN Cc1occc1-c1nnc(SC[C@@H]2CC2(Cl)Cl)n1C ZINC000007217255 563904553 /nfs/dbraw/zinc/90/45/53/563904553.db2.gz KVZUCTHIIVNZRE-QMMMGPOBSA-N 0 0 318.229 3.669 50 0 DHAARN CCNc1nnc(S[C@@H](C)C(=O)c2cc(C)ccc2C)s1 ZINC000007247160 563904654 /nfs/dbraw/zinc/90/46/54/563904654.db2.gz SBONKDUSLJJAKR-NSHDSACASA-N 0 0 321.471 3.950 50 0 DHAARN O=C(N[C@H]1CCCc2ccccc21)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000007263955 563904793 /nfs/dbraw/zinc/90/47/93/563904793.db2.gz GIAHKTSLCDMTNO-ONYGOOLBSA-N 0 0 311.425 3.576 50 0 DHAARN COc1cc(NC(=O)c2cccc(-n3cccc3)c2)cc(OC)c1 ZINC000007359737 563905496 /nfs/dbraw/zinc/90/54/96/563905496.db2.gz SZLRUBVBDUYDJI-UHFFFAOYSA-N 0 0 322.364 3.747 50 0 DHAARN CCC(=O)c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000007419984 563906108 /nfs/dbraw/zinc/90/61/08/563906108.db2.gz FZHNIBNPHJCRBO-UHFFFAOYSA-N 0 0 308.337 3.908 50 0 DHAARN Cc1ccccc1OCCSc1n[nH]c(-c2ccccc2)n1 ZINC000007471550 563906584 /nfs/dbraw/zinc/90/65/84/563906584.db2.gz FAGKLWWOQVJQSU-UHFFFAOYSA-N 0 0 311.410 3.951 50 0 DHAARN CCC(CC)CN(CC)C(=O)c1ncc(Br)s1 ZINC000170607925 563907805 /nfs/dbraw/zinc/90/78/05/563907805.db2.gz OLKVKLVBOCKHGD-UHFFFAOYSA-N 0 0 319.268 3.804 50 0 DHAARN O=C(CN1CCSc2ccccc21)Nc1ccc2c(c1)CCC2 ZINC000007493222 563907153 /nfs/dbraw/zinc/90/71/53/563907153.db2.gz QJXHOIPKSUGMBT-UHFFFAOYSA-N 0 0 324.449 3.726 50 0 DHAARN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC1CCCCCCC1 ZINC000170603931 563907434 /nfs/dbraw/zinc/90/74/34/563907434.db2.gz KWTQQFGEJCPDGV-INIZCTEOSA-N 0 0 322.493 3.643 50 0 DHAARN CC(C)(C)OC(=O)c1ccc(CNc2ccc(F)cn2)cc1 ZINC000170609076 563907744 /nfs/dbraw/zinc/90/77/44/563907744.db2.gz KBEWUBCYOJWTLB-UHFFFAOYSA-N 0 0 302.349 3.788 50 0 DHAARN CC(C)(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000170612768 563908035 /nfs/dbraw/zinc/90/80/35/563908035.db2.gz DBCOOIVSZQLUPA-HNNXBMFYSA-N 0 0 317.454 3.831 50 0 DHAARN CCCCS[C@@H](C)C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000170611469 563908065 /nfs/dbraw/zinc/90/80/65/563908065.db2.gz JKJLZAXOGMQOIL-SWLSCSKDSA-N 0 0 307.459 3.808 50 0 DHAARN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000170626358 563908805 /nfs/dbraw/zinc/90/88/05/563908805.db2.gz BHBOYBNMDSCDFH-WBMJQRKESA-N 0 0 324.852 3.940 50 0 DHAARN O=c1c2ccccc2nc(NCc2ccco2)n1-c1ccccc1 ZINC000071283931 563909111 /nfs/dbraw/zinc/90/91/11/563909111.db2.gz QVOYOKIMGIOTTH-UHFFFAOYSA-N 0 0 317.348 3.591 50 0 DHAARN CC(C)(C)CC(=O)NCCCn1ncc2c1cccc2Cl ZINC000071196108 563909112 /nfs/dbraw/zinc/90/91/12/563909112.db2.gz BFVNALLSFVBPJW-UHFFFAOYSA-N 0 0 307.825 3.632 50 0 DHAARN COc1ccc(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000009909036 563909139 /nfs/dbraw/zinc/90/91/39/563909139.db2.gz YZIQOIZYJLIHKT-DYVFJYSZSA-N 0 0 313.397 3.661 50 0 DHAARN COc1ccc(OC)c(NC(=O)CCc2ccc(C)cc2C)c1 ZINC000010029982 563909224 /nfs/dbraw/zinc/90/92/24/563909224.db2.gz VGIYDKDUMMKIEZ-UHFFFAOYSA-N 0 0 313.397 3.892 50 0 DHAARN Cc1ccncc1NC(=O)c1ccc(Br)c(F)c1 ZINC000071414399 563909271 /nfs/dbraw/zinc/90/92/71/563909271.db2.gz OBKCYQHWRUPGCK-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN Fc1ccc(CCNC(=S)NCc2ccc(Cl)cc2)cc1 ZINC000013330945 563909625 /nfs/dbraw/zinc/90/96/25/563909625.db2.gz QLFGFJKZFDQMGV-UHFFFAOYSA-N 0 0 322.836 3.686 50 0 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DHAARN O=C(CSc1nc2ncccc2o1)Nc1ccc(Cl)cc1 ZINC000020993852 563932047 /nfs/dbraw/zinc/93/20/47/563932047.db2.gz DCDJELKZUUHHJJ-UHFFFAOYSA-N 0 0 319.773 3.607 50 0 DHAARN CC(C)c1nnc(NC(=O)N2CCc3sccc3[C@H]2C)s1 ZINC000095949306 563932152 /nfs/dbraw/zinc/93/21/52/563932152.db2.gz WFTGRRXYCCDQPP-SECBINFHSA-N 0 0 322.459 3.874 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccncc3)on2)cc1 ZINC000095955499 563932294 /nfs/dbraw/zinc/93/22/94/563932294.db2.gz ODBYWHAPMANADH-CQSZACIVSA-N 0 0 321.380 3.878 50 0 DHAARN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccsc1 ZINC000095960322 563932483 /nfs/dbraw/zinc/93/24/83/563932483.db2.gz URRVQYVAZKBWQA-UHFFFAOYSA-N 0 0 301.289 3.784 50 0 DHAARN O=C(NCc1cccc(CO)c1)C1CCC(c2ccccc2)CC1 ZINC000095962383 563932598 /nfs/dbraw/zinc/93/25/98/563932598.db2.gz WBSMXZRHOYWKNI-UHFFFAOYSA-N 0 0 323.436 3.769 50 0 DHAARN O=C(CCc1ccccn1)Nc1cc(Cl)ccc1NC1CC1 ZINC000095965239 563932655 /nfs/dbraw/zinc/93/26/55/563932655.db2.gz IBOSMDFBGQUVTD-UHFFFAOYSA-N 0 0 315.804 3.881 50 0 DHAARN Cc1ncc(C(=O)N(C)CCC(F)(F)F)c(Cl)c1Cl ZINC000095978374 563933661 /nfs/dbraw/zinc/93/36/61/563933661.db2.gz QIBTXJWWDFOBOZ-UHFFFAOYSA-N 0 0 315.122 3.721 50 0 DHAARN CC[C@H](C)[C@H](NCc1csc(C2CC2)n1)C(=O)OC(C)(C)C ZINC000095987484 563934101 /nfs/dbraw/zinc/93/41/01/563934101.db2.gz ULVJWODBDMLOGE-FZMZJTMJSA-N 0 0 324.490 3.867 50 0 DHAARN CC(C)[C@H](C(=O)N[C@@H](C)c1cncc(F)c1)c1ccccc1 ZINC000095993594 563934329 /nfs/dbraw/zinc/93/43/29/563934329.db2.gz WRMVHAAOTIKPJT-GUYCJALGSA-N 0 0 300.377 3.838 50 0 DHAARN O=C(NC1CCCC1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000095993043 563934470 /nfs/dbraw/zinc/93/44/70/563934470.db2.gz NUMFKJUMHKKJCZ-HNNXBMFYSA-N 0 0 315.461 3.552 50 0 DHAARN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(O)cc1F ZINC000095992998 563934508 /nfs/dbraw/zinc/93/45/08/563934508.db2.gz DNVOVOIQQUJAEU-OAHLLOKOSA-N 0 0 305.736 3.602 50 0 DHAARN CC(C)C[C@H]1C[C@H](NC(=O)c2cc3cccc(F)c3o2)CCO1 ZINC000095991265 563934520 /nfs/dbraw/zinc/93/45/20/563934520.db2.gz YUOOUCXBJFPOJZ-KGLIPLIRSA-N 0 0 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DHAARN CC[C@@H](Nc1nc2c(s1)c(C)nn2C)c1ccc(C)cn1 ZINC000096162225 563935853 /nfs/dbraw/zinc/93/58/53/563935853.db2.gz OAEMKTRQPNBRHP-LLVKDONJSA-N 0 0 301.419 3.605 50 0 DHAARN Cc1c(Br)cccc1NC(=O)CNc1ccccc1 ZINC000096248315 563936010 /nfs/dbraw/zinc/93/60/10/563936010.db2.gz XKGBLSHCFYTOAA-UHFFFAOYSA-N 0 0 319.202 3.808 50 0 DHAARN COC(=O)C[C@@H](c1c2[nH]snc-2ccc1=O)C1CCCCC1 ZINC000096232670 563936032 /nfs/dbraw/zinc/93/60/32/563936032.db2.gz XLLYXADOEGZOJF-LLVKDONJSA-N 0 0 320.414 3.624 50 0 DHAARN COc1ccc(C(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000096222954 563936036 /nfs/dbraw/zinc/93/60/36/563936036.db2.gz MPUKEBXCPVKDAD-SFHVURJKSA-N 0 0 320.392 3.984 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1csc2nc(=O)sc-2c1 ZINC000096318833 563936280 /nfs/dbraw/zinc/93/62/80/563936280.db2.gz RRBKANWBVXAFIU-UHFFFAOYSA-N 0 0 322.798 3.575 50 0 DHAARN O=C(/C=C\c1ccc(F)cc1)NCc1ccccc1N1CCCC1 ZINC000096401825 563936592 /nfs/dbraw/zinc/93/65/92/563936592.db2.gz SANMCPIQSOIWHB-XFXZXTDPSA-N 0 0 324.399 3.756 50 0 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CC[C@@H](C)C[S@](=O)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000097115184 563937919 /nfs/dbraw/zinc/93/79/19/563937919.db2.gz ZAKYDIKZQJDHGA-LRTDBIEQSA-N 0 0 304.459 3.784 50 0 DHAARN CCOc1ccc(N[C@H](c2ccc(F)cc2)c2cnccn2)cn1 ZINC000225578508 563938056 /nfs/dbraw/zinc/93/80/56/563938056.db2.gz MNHSPXUERXPIKE-GOSISDBHSA-N 0 0 324.359 3.611 50 0 DHAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1CCc1ccccc1 ZINC000055485180 563938188 /nfs/dbraw/zinc/93/81/88/563938188.db2.gz NIABNKWRDAVKGJ-QGZVFWFLSA-N 0 0 323.392 3.653 50 0 DHAARN Cc1cccc(N2CCN(Cc3ccc(F)cc3F)CC2)c1C ZINC000055543376 563938338 /nfs/dbraw/zinc/93/83/38/563938338.db2.gz NGNMFFGZXIFSMS-UHFFFAOYSA-N 0 0 316.395 3.904 50 0 DHAARN O=C(/C=C/c1ccco1)NCc1ccnc(-c2ccsc2)c1 ZINC000225754137 563938691 /nfs/dbraw/zinc/93/86/91/563938691.db2.gz ZEICXFHEFYPNOA-ONEGZZNKSA-N 0 0 310.378 3.733 50 0 DHAARN COc1ccc2c(c1)OC(=O)N[C@]2(c1ccccc1)C(F)(F)F ZINC000002618751 563939501 /nfs/dbraw/zinc/93/95/01/563939501.db2.gz CKAPWEQEGZBLPR-HNNXBMFYSA-N 0 0 323.270 3.603 50 0 DHAARN O=C(CCc1ccccc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000056148477 563939562 /nfs/dbraw/zinc/93/95/62/563939562.db2.gz BVYOPXJZCLYZEE-FQEVSTJZSA-N 0 0 323.436 3.827 50 0 DHAARN O=C(COc1cccc(Cl)c1Cl)NCc1cccs1 ZINC000002632296 563939711 /nfs/dbraw/zinc/93/97/11/563939711.db2.gz SSSXQARBBLITHI-UHFFFAOYSA-N 0 0 316.209 3.750 50 0 DHAARN C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc3ccccc31)C2=O ZINC000002660701 563940220 /nfs/dbraw/zinc/94/02/20/563940220.db2.gz IOWSGUMNTHCMGS-VLIAUNLRSA-N 0 0 322.408 3.841 50 0 DHAARN Cc1cccc(CC(=O)NCCSc2c[nH]c3ccccc23)c1 ZINC000002721047 563940414 /nfs/dbraw/zinc/94/04/14/563940414.db2.gz SCTFFACDOVMRPD-UHFFFAOYSA-N 0 0 324.449 3.927 50 0 DHAARN O=C(NCc1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000002744152 563940514 /nfs/dbraw/zinc/94/05/14/563940514.db2.gz VSDUTHHFWOHQDD-UHFFFAOYSA-N 0 0 311.715 3.871 50 0 DHAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)c1 ZINC000002782692 563940691 /nfs/dbraw/zinc/94/06/91/563940691.db2.gz MJUKBGMCQJNCNH-CHWSQXEVSA-N 0 0 311.307 3.860 50 0 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CCN(C(=S)Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000003192146 563942592 /nfs/dbraw/zinc/94/25/92/563942592.db2.gz POAOOKXYMVWNEX-UHFFFAOYSA-N 0 0 314.410 3.681 50 0 DHAARN CCCC[C@H](CC)CNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000003178056 563942617 /nfs/dbraw/zinc/94/26/17/563942617.db2.gz NYBRXMUBMAIVOG-HNNXBMFYSA-N 0 0 304.434 3.575 50 0 DHAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCO1 ZINC000003179191 563942639 /nfs/dbraw/zinc/94/26/39/563942639.db2.gz HYJLLJGMPLCREO-LBPRGKRZSA-N 0 0 308.790 3.581 50 0 DHAARN CC(C)c1ccc2nc(COCc3ccccc3)[nH]c(=O)c2c1 ZINC000057771880 563942644 /nfs/dbraw/zinc/94/26/44/563942644.db2.gz NVXLGFYFTDFMAE-UHFFFAOYSA-N 0 0 308.381 3.763 50 0 DHAARN CC[C@H]1CCCCN1c1nc2c(C=O)c(C)nn2c2ccccc21 ZINC000003178584 563942677 /nfs/dbraw/zinc/94/26/77/563942677.db2.gz OTGZSSWDGWKZSQ-AWEZNQCLSA-N 0 0 322.412 3.772 50 0 DHAARN Cc1ccc(S(=O)(=O)Nc2cccc3c(O)cccc23)cc1 ZINC000003250538 563943139 /nfs/dbraw/zinc/94/31/39/563943139.db2.gz CJQANEIQSNYREL-UHFFFAOYSA-N 0 0 313.378 3.655 50 0 DHAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1 ZINC000003238689 563943149 /nfs/dbraw/zinc/94/31/49/563943149.db2.gz SWJOOBQHGDBMDP-CYBMUJFWSA-N 0 0 303.402 3.872 50 0 DHAARN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000003253947 563943293 /nfs/dbraw/zinc/94/32/93/563943293.db2.gz NZWDQPJBXUIMOK-UHFFFAOYSA-N 0 0 317.241 3.997 50 0 DHAARN O=C(CSc1nc2cc(Cl)ccc2o1)NC1CCCC1 ZINC000003256829 563943350 /nfs/dbraw/zinc/94/33/50/563943350.db2.gz IDEQEMYFBWFYPV-UHFFFAOYSA-N 0 0 310.806 3.632 50 0 DHAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1O ZINC000003278285 563943576 /nfs/dbraw/zinc/94/35/76/563943576.db2.gz AZWZWJWKZKCJKA-UHFFFAOYSA-N 0 0 311.362 3.873 50 0 DHAARN COc1ccc(CCC(=O)NC[C@H]2CCCc3ccccc32)cc1 ZINC000030894637 563943830 /nfs/dbraw/zinc/94/38/30/563943830.db2.gz COGUUHHJSXSMNQ-GOSISDBHSA-N 0 0 323.436 3.864 50 0 DHAARN CC[C@@H](C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1 ZINC000003445086 563943843 /nfs/dbraw/zinc/94/38/43/563943843.db2.gz PXKJYBFMSLIJJQ-QGZVFWFLSA-N 0 0 324.424 3.656 50 0 DHAARN CCCn1nc(C2CC2)nc1-c1cn2cc(Cl)ccc2n1 ZINC000670443364 563943909 /nfs/dbraw/zinc/94/39/09/563943909.db2.gz PUNXSKQPDDYXFA-UHFFFAOYSA-N 0 0 301.781 3.534 50 0 DHAARN COc1ccccc1OCC(=O)Nc1ccc(C)c2ncccc12 ZINC000031082665 563944116 /nfs/dbraw/zinc/94/41/16/563944116.db2.gz STEHFUUFFXYKSM-UHFFFAOYSA-N 0 0 322.364 3.569 50 0 DHAARN C[C@@H](NC(=O)NC1CCCC1)c1ccccc1Br ZINC000030982702 563944155 /nfs/dbraw/zinc/94/41/55/563944155.db2.gz QMSHUWCKNPFIAL-SNVBAGLBSA-N 0 0 311.223 3.752 50 0 DHAARN C[C@@H](Sc1ccccc1F)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003473460 563944157 /nfs/dbraw/zinc/94/41/57/563944157.db2.gz JBBJEDMSEJANOY-SNVBAGLBSA-N 0 0 319.357 3.674 50 0 DHAARN O=C(Nc1ccn2nccc2c1)c1cccc(C(F)(F)F)c1 ZINC000217953975 563944449 /nfs/dbraw/zinc/94/44/49/563944449.db2.gz FKARDYJQQNGWEN-UHFFFAOYSA-N 0 0 305.259 3.605 50 0 DHAARN Cc1cccc2[nH]c(CN(C)Cc3cnccc3Cl)nc21 ZINC000670448724 563944455 /nfs/dbraw/zinc/94/44/55/563944455.db2.gz GUAYGMLORVUKIT-UHFFFAOYSA-N 0 0 300.793 3.552 50 0 DHAARN C[C@@H]1CCN(C(=O)CCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000031781656 563944783 /nfs/dbraw/zinc/94/47/83/563944783.db2.gz IEQQXJYQVUQBBA-CQSZACIVSA-N 0 0 323.392 3.888 50 0 DHAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3)NC(=O)CN21 ZINC000004000157 563944794 /nfs/dbraw/zinc/94/47/94/563944794.db2.gz FNIOOKBXGRMMLD-RJRNSMGGSA-N 0 0 318.420 3.632 50 0 biogenic DHAARN O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc(Cl)cc1 ZINC000032105843 563945378 /nfs/dbraw/zinc/94/53/78/563945378.db2.gz BYSMBYGSRKNCOW-UHFFFAOYSA-N 0 0 317.801 3.768 50 0 DHAARN CC(C)(C)c1nc2cc(NC(=O)c3cc(C4CC4)on3)ccc2[nH]1 ZINC000032466001 563945754 /nfs/dbraw/zinc/94/57/54/563945754.db2.gz FLIIIIJHMNUIKE-UHFFFAOYSA-N 0 0 324.384 3.978 50 0 DHAARN COCCNC(=S)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000007981211 563945936 /nfs/dbraw/zinc/94/59/36/563945936.db2.gz BSENMYGAAXIFTP-AWEZNQCLSA-N 0 0 314.454 3.525 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(cccc2F)s1)c1ccccn1 ZINC000007989493 563946057 /nfs/dbraw/zinc/94/60/57/563946057.db2.gz AEFBRSWNIDKOCX-SNVBAGLBSA-N 0 0 300.358 3.926 50 0 DHAARN Cc1cccnc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000007989742 563946147 /nfs/dbraw/zinc/94/61/47/563946147.db2.gz MROLKGZFJXNGQF-UHFFFAOYSA-N 0 0 316.360 3.873 50 0 DHAARN O=c1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)[nH]1 ZINC000007995030 563946195 /nfs/dbraw/zinc/94/61/95/563946195.db2.gz VSLHIMFKAHSINK-UHFFFAOYSA-N 0 0 311.772 3.702 50 0 DHAARN C[C@H](C[N@@H+]1CCCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263441734 563946292 /nfs/dbraw/zinc/94/62/92/563946292.db2.gz WSHSISSKBSVSLU-RISCZKNCSA-N 0 0 315.335 3.748 50 0 DHAARN CC(C)[C@@H](C(=O)NCc1ccccn1)c1ccc(Cl)cc1 ZINC000008073120 563946393 /nfs/dbraw/zinc/94/63/93/563946393.db2.gz NBGXLJWFHPUPAX-MRXNPFEDSA-N 0 0 302.805 3.791 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1ccc(F)cc1Br ZINC000008060351 563946435 /nfs/dbraw/zinc/94/64/35/563946435.db2.gz CPCPMSBRPRLJMM-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(F)cc1 ZINC000008060352 563946449 /nfs/dbraw/zinc/94/64/49/563946449.db2.gz DJYHZHHSKQYFNC-UHFFFAOYSA-N 0 0 313.357 3.525 50 0 DHAARN COCCOc1ccc(F)cc1NC(=O)c1cccc(C)c1C ZINC000066432487 563946503 /nfs/dbraw/zinc/94/65/03/563946503.db2.gz COSUZPVZYRXFCR-UHFFFAOYSA-N 0 0 317.360 3.720 50 0 DHAARN C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008086386 563946652 /nfs/dbraw/zinc/94/66/52/563946652.db2.gz LNJATJFLSAAGCR-DGCLKSJQSA-N 0 0 300.427 3.658 50 0 DHAARN OCCSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000008080054 563946674 /nfs/dbraw/zinc/94/66/74/563946674.db2.gz LCSFZNSYERYHGN-UHFFFAOYSA-N 0 0 306.387 3.582 50 0 DHAARN Cc1ccc(C(=O)CCC(=O)NCc2ccc(F)cc2)cc1C ZINC000008136684 563946924 /nfs/dbraw/zinc/94/69/24/563946924.db2.gz PFCJDDUHLFUZCE-UHFFFAOYSA-N 0 0 313.372 3.722 50 0 DHAARN Cc1ccccc1-c1noc(COc2ncnc3ccccc32)n1 ZINC000008156048 563946984 /nfs/dbraw/zinc/94/69/84/563946984.db2.gz VUNOOWDNZVKZIK-UHFFFAOYSA-N 0 0 318.336 3.567 50 0 DHAARN O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1ccsc1 ZINC000008180290 563947002 /nfs/dbraw/zinc/94/70/02/563947002.db2.gz NOKBVIASCHEGJJ-XFFZJAGNSA-N 0 0 321.304 3.694 50 0 DHAARN CCCCNc1nnc(Sc2ncnc3sccc32)s1 ZINC000008199187 563947198 /nfs/dbraw/zinc/94/71/98/563947198.db2.gz TYOVIHFASKEXDC-UHFFFAOYSA-N 0 0 323.472 3.906 50 0 DHAARN COc1cccc(CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 ZINC000008248843 563947330 /nfs/dbraw/zinc/94/73/30/563947330.db2.gz WZLSNHPUPYPVQB-GFCCVEGCSA-N 0 0 315.438 3.812 50 0 DHAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc[nH]n1 ZINC000008236235 563947346 /nfs/dbraw/zinc/94/73/46/563947346.db2.gz BWSFDRFMQZPPFE-UHFFFAOYSA-N 0 0 318.446 3.782 50 0 DHAARN Fc1ccccc1OCCSc1n[nH]c(-c2cccs2)n1 ZINC000008230703 563947436 /nfs/dbraw/zinc/94/74/36/563947436.db2.gz QDFSPVPLDLILBW-UHFFFAOYSA-N 0 0 321.402 3.843 50 0 DHAARN Cc1nnc(CN(C)Cc2ccc(-c3ccc(Cl)cc3)o2)o1 ZINC000038321588 563947562 /nfs/dbraw/zinc/94/75/62/563947562.db2.gz OUPMIBQOXBOJOF-UHFFFAOYSA-N 0 0 317.776 3.923 50 0 DHAARN C[C@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)N1CCCC1 ZINC000008326901 563947786 /nfs/dbraw/zinc/94/77/86/563947786.db2.gz YDUKZQSAZPMUAY-ZDUSSCGKSA-N 0 0 308.381 3.711 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(OC(=O)c3ccc[nH]3)cc2)c1 ZINC000008330792 563948004 /nfs/dbraw/zinc/94/80/04/563948004.db2.gz QHVITKKLDGJBEL-UHFFFAOYSA-N 0 0 320.348 3.795 50 0 DHAARN O=C(NCc1ccncc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000008344007 563948130 /nfs/dbraw/zinc/94/81/30/563948130.db2.gz XFRXSTSJLFJKPT-UHFFFAOYSA-N 0 0 320.417 3.839 50 0 DHAARN O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@@H]1c1ccco1 ZINC000067022687 563948203 /nfs/dbraw/zinc/94/82/03/563948203.db2.gz ZAGYOMZDWBISDL-QWRGUYRKSA-N 0 0 311.366 3.540 50 0 DHAARN CC[C@@H](c1ccc(F)cc1)n1cnc2ccc(OC)cc2c1=O ZINC000670471128 563948448 /nfs/dbraw/zinc/94/84/48/563948448.db2.gz DMPSJCAEFJYCRU-KRWDZBQOSA-N 0 0 312.344 3.544 50 0 DHAARN O=C(OCc1nc2ccccc2o1)c1c(F)cccc1Cl ZINC000008448914 563948732 /nfs/dbraw/zinc/94/87/32/563948732.db2.gz GYZGUVXQDKBVDU-UHFFFAOYSA-N 0 0 305.692 3.977 50 0 DHAARN CCc1ccc(-c2nc(SCC(=O)C(C)(C)C)n[nH]2)cc1 ZINC000008483724 563948804 /nfs/dbraw/zinc/94/88/04/563948804.db2.gz XKZPIMDQINANFY-UHFFFAOYSA-N 0 0 303.431 3.741 50 0 DHAARN CC(C)(C)c1ccc(NC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000038671344 563948838 /nfs/dbraw/zinc/94/88/38/563948838.db2.gz KRYUEFCGEQGSQP-UHFFFAOYSA-N 0 0 323.396 3.975 50 0 DHAARN C[C@@H](NC(=O)c1ccn(C(F)F)n1)C12CC3CC(CC(C3)C1)C2 ZINC000008534843 563948969 /nfs/dbraw/zinc/94/89/69/563948969.db2.gz OHIMSGLUVQCLNM-LKBWSCCASA-N 0 0 323.387 3.613 50 0 DHAARN Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067511890 563949367 /nfs/dbraw/zinc/94/93/67/563949367.db2.gz YYYILMOGIMNMDU-DLBZAZTESA-N 0 0 318.376 3.936 50 0 DHAARN Clc1ccc(-c2noc3ncnc(N4CCCCC4)c23)cc1 ZINC000008603588 563949420 /nfs/dbraw/zinc/94/94/20/563949420.db2.gz GCCCHCLQFSGTRG-UHFFFAOYSA-N 0 0 314.776 3.929 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000008685407 563949710 /nfs/dbraw/zinc/94/97/10/563949710.db2.gz GIEMNARTKVACPE-GHMZBOCLSA-N 0 0 314.401 3.963 50 0 DHAARN Cc1noc(C)c1CN(C(=S)NC(C)C)c1ccccc1 ZINC000008685351 563949711 /nfs/dbraw/zinc/94/97/11/563949711.db2.gz IMZDHUPBLTXTDJ-UHFFFAOYSA-N 0 0 303.431 3.581 50 0 DHAARN CCc1ccsc1C(=O)Nc1ccc(-c2nnco2)cc1C ZINC000067724228 563949747 /nfs/dbraw/zinc/94/97/47/563949747.db2.gz DNTKSMPAXVYYLB-UHFFFAOYSA-N 0 0 313.382 3.921 50 0 DHAARN Cc1csc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)n1 ZINC000008706003 563949938 /nfs/dbraw/zinc/94/99/38/563949938.db2.gz JAJIGGBOSLXCIQ-CYBMUJFWSA-N 0 0 322.430 3.703 50 0 DHAARN O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ccc(Cl)cc1 ZINC000008707890 563950001 /nfs/dbraw/zinc/95/00/01/563950001.db2.gz MODPWQOCQGDENH-JTQLQIEISA-N 0 0 320.742 3.553 50 0 DHAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(C)cc2)o1 ZINC000008752369 563950601 /nfs/dbraw/zinc/95/06/01/563950601.db2.gz ZXTHQIVAZNFXAS-UHFFFAOYSA-N 0 0 314.366 3.921 50 0 DHAARN CN1C(=O)c2ccccc2N[C@H]1c1cnc(C(C)(C)C)s1 ZINC000067963399 563950761 /nfs/dbraw/zinc/95/07/61/563950761.db2.gz CXTODYWPSHWIEG-CYBMUJFWSA-N 0 0 301.415 3.637 50 0 DHAARN CNc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn21 ZINC000008843992 563950957 /nfs/dbraw/zinc/95/09/57/563950957.db2.gz FMBSDRZAYCQPAO-UHFFFAOYSA-N 0 0 306.291 3.765 50 0 DHAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1c[nH]c2ccccc12 ZINC000008849369 563951033 /nfs/dbraw/zinc/95/10/33/563951033.db2.gz NISXUQMIHYTESL-UHFFFAOYSA-N 0 0 319.364 3.547 50 0 DHAARN Cc1noc(Cl)c1CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000068237250 563951149 /nfs/dbraw/zinc/95/11/49/563951149.db2.gz MSOCYLCMSPAEGT-LNSITVRQSA-N 0 0 324.852 3.996 50 0 DHAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccccn1 ZINC000068732380 563951162 /nfs/dbraw/zinc/95/11/62/563951162.db2.gz QSOVWHUBEXVWJW-CQSZACIVSA-N 0 0 308.381 3.980 50 0 DHAARN O=C(NCc1cccn1Cc1ccccc1)NC1CCCCC1 ZINC000008912282 563951351 /nfs/dbraw/zinc/95/13/51/563951351.db2.gz DGGIOGBNNDRECA-UHFFFAOYSA-N 0 0 311.429 3.668 50 0 DHAARN COc1cc(NC(=O)Cc2ccsc2)c(OC)cc1Cl ZINC000008937631 563951462 /nfs/dbraw/zinc/95/14/62/563951462.db2.gz VUKDQWXPOHKKMN-UHFFFAOYSA-N 0 0 311.790 3.600 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)N1CCCc2ccc(F)cc21 ZINC000040117120 563951585 /nfs/dbraw/zinc/95/15/85/563951585.db2.gz LWUYSZQZTLIIFW-UHFFFAOYSA-N 0 0 308.356 3.829 50 0 DHAARN CC1(C)COc2cc(NC(=O)C3CCCCC3)ccc2NC1=O ZINC000008959166 563951706 /nfs/dbraw/zinc/95/17/06/563951706.db2.gz CTTFGUJOIKQCHZ-UHFFFAOYSA-N 0 0 316.401 3.563 50 0 DHAARN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000008987007 563951938 /nfs/dbraw/zinc/95/19/38/563951938.db2.gz MSONJKRSRDAMKF-CYBMUJFWSA-N 0 0 315.344 3.743 50 0 DHAARN Cc1cc(N2CCN(c3ccccc3O)CC2)nc2ccccc12 ZINC000040160679 563951975 /nfs/dbraw/zinc/95/19/75/563951975.db2.gz RHBHNCGPNSFKPX-UHFFFAOYSA-N 0 0 319.408 3.575 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccccc1 ZINC000009050234 563952045 /nfs/dbraw/zinc/95/20/45/563952045.db2.gz NJGJDAVXLLVZCE-UHFFFAOYSA-N 0 0 321.380 3.507 50 0 DHAARN Cc1ccc([C@@H](NC(=O)c2ccccn2)c2ccccc2)cc1 ZINC000009049867 563952146 /nfs/dbraw/zinc/95/21/46/563952146.db2.gz QPSXIYOLWSPKLA-IBGZPJMESA-N 0 0 302.377 3.909 50 0 DHAARN CC(=O)c1cc(CCC(=O)Nc2ccc(C)c(F)c2)oc1C ZINC000009077048 563952241 /nfs/dbraw/zinc/95/22/41/563952241.db2.gz YKKRPWXODWOBNL-UHFFFAOYSA-N 0 0 303.333 3.809 50 0 DHAARN CCCOc1nn(CCC)cc1C(=O)Nc1ccc(F)cc1F ZINC000009071015 563952246 /nfs/dbraw/zinc/95/22/46/563952246.db2.gz RKPNJAPKVUGVGE-UHFFFAOYSA-N 0 0 323.343 3.612 50 0 DHAARN O=C1N[C@@H](c2ccc(Cl)cc2)c2c1oc1ccccc1c2=O ZINC000009088452 563952303 /nfs/dbraw/zinc/95/23/03/563952303.db2.gz RMUGJQWMJVSRKT-AWEZNQCLSA-N 0 0 311.724 3.854 50 0 DHAARN CCC(CC)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000069326585 563952311 /nfs/dbraw/zinc/95/23/11/563952311.db2.gz CNIUGXXHJYEMRJ-UHFFFAOYSA-N 0 0 304.365 3.576 50 0 DHAARN COCc1ccccc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000069349580 563952382 /nfs/dbraw/zinc/95/23/82/563952382.db2.gz WTRSSSBCEZQHFB-UHFFFAOYSA-N 0 0 322.767 3.947 50 0 DHAARN O=C1N[C@H](c2ccc(Cl)cc2)c2c1oc1ccccc1c2=O ZINC000009088451 563952428 /nfs/dbraw/zinc/95/24/28/563952428.db2.gz RMUGJQWMJVSRKT-CQSZACIVSA-N 0 0 311.724 3.854 50 0 DHAARN Cc1ccc(/C=C/C(=O)n2ccccc2=NC2CCCCC2)o1 ZINC000245284942 563952506 /nfs/dbraw/zinc/95/25/06/563952506.db2.gz UZUNJZCUUXRAKG-GVIKKRSMSA-N 0 0 310.397 3.977 50 0 DHAARN Cc1ccc(/C=C\C(=O)n2ccccc2=NC2CCCCC2)o1 ZINC000245284943 563952527 /nfs/dbraw/zinc/95/25/27/563952527.db2.gz UZUNJZCUUXRAKG-KJCWYGHWSA-N 0 0 310.397 3.977 50 0 DHAARN O=C(CCCOCc1ccccc1)N1CCC[C@H]1c1ccccn1 ZINC000069440417 563952734 /nfs/dbraw/zinc/95/27/34/563952734.db2.gz PCYIHESKAIHKBV-IBGZPJMESA-N 0 0 324.424 3.742 50 0 DHAARN Cc1oc(-c2ccsc2)nc1CSc1nc(C)cc(N)n1 ZINC000069419547 563952799 /nfs/dbraw/zinc/95/27/99/563952799.db2.gz GPLHUQPSQKGJNP-UHFFFAOYSA-N 0 0 318.427 3.684 50 0 DHAARN O=C(NO[C@@H]1CCCCO1)c1ccc(-c2ccccc2Cl)o1 ZINC000069417458 563952822 /nfs/dbraw/zinc/95/28/22/563952822.db2.gz ZHMNXZIIWQUWGL-OAHLLOKOSA-N 0 0 321.760 3.788 50 0 DHAARN Cc1noc(C)c1C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000069457903 563952956 /nfs/dbraw/zinc/95/29/56/563952956.db2.gz BSXBVRYZEQGOQM-UHFFFAOYSA-N 0 0 308.341 3.682 50 0 DHAARN Cc1oc(-c2ccco2)nc1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000069462955 563952960 /nfs/dbraw/zinc/95/29/60/563952960.db2.gz QBYOFEGYUAFKIR-RYUDHWBXSA-N 0 0 302.374 3.575 50 0 DHAARN O=C(CC(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000069452283 563953029 /nfs/dbraw/zinc/95/30/29/563953029.db2.gz LIUMFJAJOBBKLK-SCZZXKLOSA-N 0 0 311.225 3.630 50 0 DHAARN COc1ccc(CC[C@H]2CCCCN2C(=O)C(C)C)cc1OC ZINC000069538888 563953337 /nfs/dbraw/zinc/95/33/37/563953337.db2.gz NYPPQWUZQONGCG-MRXNPFEDSA-N 0 0 319.445 3.674 50 0 DHAARN CC[C@H](C)Sc1ccc(NC(=O)N2CCC[C@@H](O)C2)c(C)c1 ZINC000069536115 563953406 /nfs/dbraw/zinc/95/34/06/563953406.db2.gz HZAUUKCMCMROQA-UONOGXRCSA-N 0 0 322.474 3.874 50 0 DHAARN CC(C)CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C ZINC000009137428 563953433 /nfs/dbraw/zinc/95/34/33/563953433.db2.gz JXDLUHJCILVPLL-UHFFFAOYSA-N 0 0 302.418 3.606 50 0 DHAARN CC(C)c1nc(CCNC(=O)c2c(F)cccc2F)cs1 ZINC000069570140 563953513 /nfs/dbraw/zinc/95/35/13/563953513.db2.gz JDHIKNVUXLLATJ-UHFFFAOYSA-N 0 0 310.369 3.517 50 0 DHAARN Cc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)o2)n1 ZINC000069560653 563953614 /nfs/dbraw/zinc/95/36/14/563953614.db2.gz ZFLOXPBNHCOYSZ-ZETCQYMHSA-N 0 0 322.777 3.935 50 0 DHAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC1CC1 ZINC000009160339 563953687 /nfs/dbraw/zinc/95/36/87/563953687.db2.gz ZYPRYCVEKMPRRO-ZCFIWIBFSA-N 0 0 324.755 3.513 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)on1 ZINC000009155997 563953697 /nfs/dbraw/zinc/95/36/97/563953697.db2.gz VNQXEEQRQJXUNY-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN Cc1noc(CNc2ccccc2OCCc2ccccc2)n1 ZINC000069599237 563953737 /nfs/dbraw/zinc/95/37/37/563953737.db2.gz ICJBTSBCNLHJKH-UHFFFAOYSA-N 0 0 309.369 3.612 50 0 DHAARN Cc1occc1-c1nnc(SCCc2cccs2)n1C ZINC000069737241 563954287 /nfs/dbraw/zinc/95/42/87/563954287.db2.gz WZERXKAILSESEG-UHFFFAOYSA-N 0 0 305.428 3.780 50 0 DHAARN Cc1cnn(C[C@H]2CCCCN2Cc2ncc(C(C)(C)C)o2)c1 ZINC000069706118 563954413 /nfs/dbraw/zinc/95/44/13/563954413.db2.gz ONFGSERZOPDNQR-OAHLLOKOSA-N 0 0 316.449 3.532 50 0 DHAARN CCN(Cc1ccccc1)C(=O)Cc1nc(-c2ccco2)oc1C ZINC000069740531 563954419 /nfs/dbraw/zinc/95/44/19/563954419.db2.gz ISSFLVNCUXKPCR-UHFFFAOYSA-N 0 0 324.380 3.834 50 0 DHAARN Cc1occc1C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000069775629 563954645 /nfs/dbraw/zinc/95/46/45/563954645.db2.gz XACASHGXYAYAJU-CYBMUJFWSA-N 0 0 319.332 3.537 50 0 DHAARN CCCN(Cc1cnn(C)c1)C(=O)Nc1cccc(Cl)c1 ZINC000069772531 563954654 /nfs/dbraw/zinc/95/46/54/563954654.db2.gz FMIAFEHWCGKEGZ-UHFFFAOYSA-N 0 0 306.797 3.518 50 0 DHAARN Cc1ccc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)o1 ZINC000069771122 563954656 /nfs/dbraw/zinc/95/46/56/563954656.db2.gz MNJMYAXEQRJNSS-ZDUSSCGKSA-N 0 0 319.332 3.537 50 0 DHAARN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccsc1 ZINC000069813768 563954699 /nfs/dbraw/zinc/95/46/99/563954699.db2.gz ORSHHZVFQHISEI-ZDUSSCGKSA-N 0 0 321.373 3.697 50 0 DHAARN Cc1ccc(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)cc1C ZINC000009273451 563954786 /nfs/dbraw/zinc/95/47/86/563954786.db2.gz FCKWCUVSGHWVCW-UHFFFAOYSA-N 0 0 311.768 3.963 50 0 DHAARN CCOC(=O)c1cnc2cc(Cl)c(-c3ccco3)cc2c1O ZINC000009288260 563954795 /nfs/dbraw/zinc/95/47/95/563954795.db2.gz LJYPSOSQYUOINC-UHFFFAOYSA-N 0 0 317.728 3.618 50 0 DHAARN CCN(c1c(=O)c(=O)c1-c1ccc(Cl)cc1)c1ccccc1 ZINC000009273377 563954812 /nfs/dbraw/zinc/95/48/12/563954812.db2.gz KJSOYAWGAKMWMS-UHFFFAOYSA-N 0 0 311.768 3.761 50 0 DHAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c(OC)c1 ZINC000009315298 563954895 /nfs/dbraw/zinc/95/48/95/563954895.db2.gz FITHILFBFUBBOR-ZIAGYGMSSA-N 0 0 315.344 3.585 50 0 DHAARN Cc1nn(C)c(C)c1CCC(=O)N1CCCCC[C@@H]1C(C)(C)C ZINC000069892788 563955130 /nfs/dbraw/zinc/95/51/30/563955130.db2.gz QVBIHHQDFJABCH-QGZVFWFLSA-N 0 0 319.493 3.787 50 0 DHAARN Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCOCC1 ZINC000069897724 563955133 /nfs/dbraw/zinc/95/51/33/563955133.db2.gz IXRLVWXFVGSOEY-UHFFFAOYSA-N 0 0 308.447 3.750 50 0 DHAARN C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)Nc1cn[nH]c1 ZINC000069894456 563955208 /nfs/dbraw/zinc/95/52/08/563955208.db2.gz MOQGSUOYIRJRFN-CQSZACIVSA-N 0 0 321.384 3.600 50 0 DHAARN Cc1cnc(COc2ccc3c(c2)oc(=O)cc3C(C)C)cn1 ZINC000069918454 563955253 /nfs/dbraw/zinc/95/52/53/563955253.db2.gz CDYRMRBBCGXROW-UHFFFAOYSA-N 0 0 310.353 3.594 50 0 DHAARN CCCCCC[C@H](CC)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000069950019 563955324 /nfs/dbraw/zinc/95/53/24/563955324.db2.gz QWHMYYFHCISIEG-HNNXBMFYSA-N 0 0 322.493 3.500 50 0 DHAARN Cc1[nH]c(=S)sc1CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000009363886 563955369 /nfs/dbraw/zinc/95/53/69/563955369.db2.gz XOLRALSSFURDLY-NSHDSACASA-N 0 0 320.483 3.794 50 0 DHAARN COc1ccc(/C=C/c2nnc(NC(=O)CC(C)C)s2)cc1 ZINC000009350092 563955384 /nfs/dbraw/zinc/95/53/84/563955384.db2.gz IODPLZDBVWGZQQ-RMKNXTFCSA-N 0 0 317.414 3.702 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)c1cccc(NC(C)=O)c1 ZINC000009455584 563956047 /nfs/dbraw/zinc/95/60/47/563956047.db2.gz XZPUREZJCWRWGD-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN COc1ccc(OCCC(=O)Nc2cccc3ncccc32)cc1 ZINC000009478669 563956119 /nfs/dbraw/zinc/95/61/19/563956119.db2.gz OECODSRZXMTNBQ-UHFFFAOYSA-N 0 0 322.364 3.651 50 0 DHAARN CCC[C@@H](CC(=O)N[C@@H]1CCCc2ccccc21)n1ccnc1 ZINC000009467109 563956228 /nfs/dbraw/zinc/95/62/28/563956228.db2.gz CNAKWJOKFULJSJ-FUHWJXTLSA-N 0 0 311.429 3.808 50 0 DHAARN Cc1ccc(C(=O)CCC(=O)Nc2nc(C)c(C)s2)s1 ZINC000009497548 563956315 /nfs/dbraw/zinc/95/63/15/563956315.db2.gz HXHLHEGVVZRLND-UHFFFAOYSA-N 0 0 308.428 3.731 50 0 DHAARN CC[C@H](C)c1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 ZINC000009513361 563956460 /nfs/dbraw/zinc/95/64/60/563956460.db2.gz HMPIGKWSMYOTHM-UGSOOPFHSA-N 0 0 324.432 3.842 50 0 DHAARN CSc1ccc(-c2noc(CCc3c(C)noc3C)n2)cc1 ZINC000009531534 563956723 /nfs/dbraw/zinc/95/67/23/563956723.db2.gz PJBOMGDNQIRHIN-UHFFFAOYSA-N 0 0 315.398 3.849 50 0 DHAARN CC(C)[C@@H](CC(=O)N(C)[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000009547320 563956753 /nfs/dbraw/zinc/95/67/53/563956753.db2.gz WVZVDSQHFZNLSC-LSDHHAIUSA-N 0 0 307.434 3.825 50 0 DHAARN Fc1ccc(F)c(-c2nnc3sc(-c4cccs4)nn32)c1 ZINC000009530608 563956834 /nfs/dbraw/zinc/95/68/34/563956834.db2.gz FZKUEHPVOQLEGO-UHFFFAOYSA-N 0 0 320.349 3.860 50 0 DHAARN CCNc1cc(C)nc(Nc2ccc(NC(=O)C(C)C)cc2)n1 ZINC000009573271 563956883 /nfs/dbraw/zinc/95/68/83/563956883.db2.gz PTHSSMNOQWCKHC-UHFFFAOYSA-N 0 0 313.405 3.555 50 0 DHAARN Cc1cc(C(=O)NC[C@@H](O)c2cccc3ccccc32)c(C)o1 ZINC000070635939 563956911 /nfs/dbraw/zinc/95/69/11/563956911.db2.gz WIQDDVBRIATFRJ-GOSISDBHSA-N 0 0 309.365 3.513 50 0 DHAARN O=C(NCc1ccco1)c1conc1-c1ccccc1Cl ZINC000009577311 563956929 /nfs/dbraw/zinc/95/69/29/563956929.db2.gz CTZJXIBZYMDOSM-UHFFFAOYSA-N 0 0 302.717 3.518 50 0 DHAARN O=c1[nH]c2ccc(-c3csc(Cc4ccccc4)n3)cc2o1 ZINC000009645731 563957320 /nfs/dbraw/zinc/95/73/20/563957320.db2.gz AVECASIQWUYWTL-UHFFFAOYSA-N 0 0 308.362 3.835 50 0 DHAARN Nc1nc(SCc2nc3ccccc3o2)nc2sccc21 ZINC000009647691 563957330 /nfs/dbraw/zinc/95/73/30/563957330.db2.gz BITQMVDIACUHMY-UHFFFAOYSA-N 0 0 314.395 3.707 50 0 DHAARN CCOc1ccccc1-c1noc(CN2CCc3ccccc32)n1 ZINC000009681841 563957401 /nfs/dbraw/zinc/95/74/01/563957401.db2.gz MDYODGLEILMOSW-UHFFFAOYSA-N 0 0 321.380 3.698 50 0 DHAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccco1 ZINC000009827847 563957735 /nfs/dbraw/zinc/95/77/35/563957735.db2.gz GAKRKSLUZRCGMM-UHFFFAOYSA-N 0 0 320.304 3.890 50 0 DHAARN CC(=O)OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000009753623 563957841 /nfs/dbraw/zinc/95/78/41/563957841.db2.gz DOZMAFQYMUTMQR-UHFFFAOYSA-N 0 0 319.744 3.634 50 0 DHAARN CC[C@@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)CC)c1 ZINC000010036561 563958080 /nfs/dbraw/zinc/95/80/80/563958080.db2.gz BVJQSIPGIHWZLD-CHWSQXEVSA-N 0 0 320.437 3.835 50 0 DHAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000010140959 563958203 /nfs/dbraw/zinc/95/82/03/563958203.db2.gz AVADOSFEEMNSNO-FRRDWIJNSA-N 0 0 318.442 3.813 50 0 DHAARN CSc1ncccc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000010221918 563958286 /nfs/dbraw/zinc/95/82/86/563958286.db2.gz UVTUYLLBAXGQLI-UHFFFAOYSA-N 0 0 312.438 3.655 50 0 DHAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1O ZINC000071792665 563958629 /nfs/dbraw/zinc/95/86/29/563958629.db2.gz XYUNAMBNNOWACF-GFCCVEGCSA-N 0 0 303.789 3.808 50 0 DHAARN Cc1ccc(C(=O)NCCOc2ccccc2)cc1-n1cccc1 ZINC000010433226 563959010 /nfs/dbraw/zinc/95/90/10/563959010.db2.gz VSHCMVAWFVULRW-UHFFFAOYSA-N 0 0 320.392 3.595 50 0 DHAARN CCc1ncc(C(=O)N2CCCCC[C@H]2c2ccncc2)s1 ZINC000071830952 563959064 /nfs/dbraw/zinc/95/90/64/563959064.db2.gz DKLUEUOBJYEEQZ-AWEZNQCLSA-N 0 0 315.442 3.858 50 0 DHAARN CN(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CCCCCCC1 ZINC000071850142 563959239 /nfs/dbraw/zinc/95/92/39/563959239.db2.gz ANPVSDLKFDKGAE-UHFFFAOYSA-N 0 0 321.396 3.501 50 0 DHAARN Cc1cccc(CNC(=O)c2ccccc2Br)c1 ZINC000010447572 563959243 /nfs/dbraw/zinc/95/92/43/563959243.db2.gz NFEAAWCQATXXFR-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccc2ccccc2c1 ZINC000071843151 563959289 /nfs/dbraw/zinc/95/92/89/563959289.db2.gz HZMOIRFFGTTYLX-MSOLQXFVSA-N 0 0 305.381 3.560 50 0 DHAARN Cc1ccc(NC(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000010464386 563959433 /nfs/dbraw/zinc/95/94/33/563959433.db2.gz BZPBGUXIPIDXBB-UHFFFAOYSA-N 0 0 306.369 3.502 50 0 DHAARN CC(C)(C)c1csc(CCNC(=O)c2c(F)cccc2F)n1 ZINC000071856433 563959481 /nfs/dbraw/zinc/95/94/81/563959481.db2.gz GITDZSMYWDMUCC-UHFFFAOYSA-N 0 0 324.396 3.691 50 0 DHAARN Nc1nccc(-c2ccc(-c3cccc(C(F)(F)F)c3)nc2)n1 ZINC000390822274 563960503 /nfs/dbraw/zinc/96/05/03/563960503.db2.gz SKVRKJZHVAAIQM-UHFFFAOYSA-N 0 0 316.286 3.807 50 0 DHAARN Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1csc(C2CC2)n1 ZINC000076999377 563960810 /nfs/dbraw/zinc/96/08/10/563960810.db2.gz ZOYPOFLUAACJSW-HZPDHXFCSA-N 0 0 312.438 3.749 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1C ZINC000077913408 563961001 /nfs/dbraw/zinc/96/10/01/563961001.db2.gz JARIVQUXISETIB-UHFFFAOYSA-N 0 0 318.376 3.911 50 0 DHAARN O=C(NCCc1ccccc1)c1ccc(Oc2nccs2)cc1 ZINC000077890153 563961055 /nfs/dbraw/zinc/96/10/55/563961055.db2.gz WQQRQVKDDDCJHX-UHFFFAOYSA-N 0 0 324.405 3.908 50 0 DHAARN O=C(Nc1ccccc1F)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000013619268 568412519 /nfs/dbraw/zinc/41/25/19/568412519.db2.gz AIEMOPKVUCQUGG-HNNXBMFYSA-N 0 0 315.344 3.636 50 0 DHAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000025727449 568412716 /nfs/dbraw/zinc/41/27/16/568412716.db2.gz SMYKNLBAQOXLOX-PWSUYJOCSA-N 0 0 312.335 3.900 50 0 DHAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)cn2)C1(C)C ZINC000025665969 568412800 /nfs/dbraw/zinc/41/28/00/568412800.db2.gz NIUADVHLGSHPRS-NVXWUHKLSA-N 0 0 313.445 3.859 50 0 DHAARN C[C@@H](CNC(=O)c1ncoc1-c1cccs1)c1ccccc1 ZINC000013565396 568413090 /nfs/dbraw/zinc/41/30/90/568413090.db2.gz FSQWOHPHKXLINC-LBPRGKRZSA-N 0 0 312.394 3.937 50 0 DHAARN CC(C)(C)OC(=O)NCCc1ccccc1Br ZINC000066309148 568413348 /nfs/dbraw/zinc/41/33/48/568413348.db2.gz CCLKBQZVNSHZLO-UHFFFAOYSA-N 0 0 300.196 3.516 50 0 DHAARN Cc1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(=O)c1C ZINC000066324454 568413421 /nfs/dbraw/zinc/41/34/21/568413421.db2.gz FINPQSNNVAIMBX-UHFFFAOYSA-N 0 0 307.353 3.923 50 0 DHAARN CCN(CC)c1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000002750620 568414158 /nfs/dbraw/zinc/41/41/58/568414158.db2.gz ZLFVHMLUFYFQQK-UHFFFAOYSA-N 0 0 303.793 3.834 50 0 DHAARN Cc1c(C(=O)Nc2ccc(F)cc2Cl)cnn1C(C)(C)C ZINC000032932002 568416498 /nfs/dbraw/zinc/41/64/98/568416498.db2.gz ZKECDUZLKACQBS-UHFFFAOYSA-N 0 0 309.772 3.991 50 0 DHAARN C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000012746311 568417647 /nfs/dbraw/zinc/41/76/47/568417647.db2.gz SQTFIGYMCQPMPV-ZDUSSCGKSA-N 0 0 302.805 3.943 50 0 DHAARN CC[C@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000012746766 568417678 /nfs/dbraw/zinc/41/76/78/568417678.db2.gz GWRVTSZBQPUOIQ-LBPRGKRZSA-N 0 0 302.422 3.664 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1coc(-c2ccccc2)n1 ZINC000151074360 568418469 /nfs/dbraw/zinc/41/84/69/568418469.db2.gz SWOSWJUJTJPFGQ-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN O=C(C1CCC1)N1CCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000035515870 568418544 /nfs/dbraw/zinc/41/85/44/568418544.db2.gz IILZLPPVIGSSGT-QGZVFWFLSA-N 0 0 314.816 3.873 50 0 DHAARN CCN(CC)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 ZINC000006980021 568419055 /nfs/dbraw/zinc/41/90/55/568419055.db2.gz GWVHZSRHYNATKP-UHFFFAOYSA-N 0 0 320.396 3.728 50 0 DHAARN CCc1ccccc1NC(=O)Nc1cccn2nc(C3CC3)nc12 ZINC000065283902 568419437 /nfs/dbraw/zinc/41/94/37/568419437.db2.gz VIINRNNSFVTFGE-UHFFFAOYSA-N 0 0 321.384 3.813 50 0 DHAARN O=C(CCCOc1ccc(F)cc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000071818768 568419952 /nfs/dbraw/zinc/41/99/52/568419952.db2.gz OQICOXMNNZYLEI-QGZVFWFLSA-N 0 0 316.376 3.677 50 0 DHAARN CC(C)c1nnc(CN(C[C@H]2CCCO2)C2CCC(C)CC2)o1 ZINC000075833969 568420309 /nfs/dbraw/zinc/42/03/09/568420309.db2.gz PVRSNCAYVDGYDQ-UYSNPLJNSA-N 0 0 321.465 3.753 50 0 DHAARN COc1ccccc1-n1c(=O)c2ccccc2nc1-c1ccoc1 ZINC000001076527 568420510 /nfs/dbraw/zinc/42/05/10/568420510.db2.gz KJJPGFFRWPPXFZ-UHFFFAOYSA-N 0 0 318.332 3.654 50 0 aggregator DHAARN COc1ccccc1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000000319471 568421542 /nfs/dbraw/zinc/42/15/42/568421542.db2.gz WMHJSKQIZWRPOI-UHFFFAOYSA-N 0 0 309.409 3.937 50 0 DHAARN Oc1ccc(C=NN(c2ccccc2)c2ccccc2)c(O)c1O ZINC000254861659 1013288629 /nfs/dbraw/zinc/28/86/29/1013288629.db2.gz CIYWXCIJGGZEPL-UHFFFAOYSA-N 0 0 320.348 3.976 50 0 DHAARN Cc1cccc(OCCNC(=O)c2ccc(F)cc2Cl)c1 ZINC000012620758 1013344176 /nfs/dbraw/zinc/34/41/76/1013344176.db2.gz DDRYOHAHIFSMNN-UHFFFAOYSA-N 0 0 307.752 3.596 50 0 DHAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000012620593 1013344210 /nfs/dbraw/zinc/34/42/10/1013344210.db2.gz OUVRLHRYGNXHDJ-SSDOTTSWSA-N 0 0 307.849 3.503 50 0 DHAARN COc1ccc([C@H](NC(=O)N(C(C)C)C2CC2)C2CC2)cc1 ZINC000175660045 1013395243 /nfs/dbraw/zinc/39/52/43/1013395243.db2.gz BCKUTWDCIXZDLH-QGZVFWFLSA-N 0 0 302.418 3.729 50 0 DHAARN COc1cccc(C=C(C)c2nc(=O)c3ccsc3[nH]2)c1F ZINC000195503068 1013516885 /nfs/dbraw/zinc/51/68/85/1013516885.db2.gz AUQGQNRQFFFTGV-CMDGGOBGSA-N 0 0 316.357 3.693 50 0 DHAARN Cc1nc2ccccc2nc1SCC(=O)N(C(C)C)C(C)C ZINC000048354927 1013719446 /nfs/dbraw/zinc/71/94/46/1013719446.db2.gz YQCXXSVHHXCIMB-UHFFFAOYSA-N 0 0 317.458 3.676 50 0 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DHAARN Cc1ccc(CCC(=O)Nc2csc(-c3ccncc3)n2)o1 ZINC000170596304 197783045 /nfs/dbraw/zinc/78/30/45/197783045.db2.gz WOWUKKAHFUQTGG-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN CCCNC(=O)[C@@H](C)SCc1ccc(Br)cc1 ZINC000058955493 190692909 /nfs/dbraw/zinc/69/29/09/190692909.db2.gz OOOUMUABKFSLKO-SNVBAGLBSA-N 0 0 316.264 3.597 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)c(C)c1 ZINC000064818466 190705402 /nfs/dbraw/zinc/70/54/02/190705402.db2.gz BZYIAKXVAALKSU-UHFFFAOYSA-N 0 0 308.385 3.881 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)cc1F ZINC000064818486 190705690 /nfs/dbraw/zinc/70/56/90/190705690.db2.gz MUWKESDJIJHETP-UHFFFAOYSA-N 0 0 312.348 3.712 50 0 DHAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)no1 ZINC000227156441 201795630 /nfs/dbraw/zinc/79/56/30/201795630.db2.gz NNOQUHFUDUIXQF-ZDUSSCGKSA-N 0 0 317.389 3.958 50 0 DHAARN COc1cc(C)c(CN[C@@H](C)c2nc(C)cs2)cc1OC ZINC000083454990 192370558 /nfs/dbraw/zinc/37/05/58/192370558.db2.gz RSRRYQAFOTYSAA-LBPRGKRZSA-N 0 0 306.431 3.628 50 0 DHAARN C[C@@H](NC(=O)c1cc2sccc2[nH]1)c1ccc(F)c(F)c1 ZINC000170610204 197790026 /nfs/dbraw/zinc/79/00/26/197790026.db2.gz FGBAHLLCTWZWKN-MRVPVSSYSA-N 0 0 306.337 3.999 50 0 DHAARN CCc1oc2ccccc2c1/C=C\C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000229447456 201833709 /nfs/dbraw/zinc/83/37/09/201833709.db2.gz DFCBNEHKZZXGQG-YHFBFXLGSA-N 0 0 313.397 3.644 50 0 DHAARN Cc1ccc(-c2cc(O)c3c(c2)CN(CCF)CCO3)s1 ZINC000067872565 190730223 /nfs/dbraw/zinc/73/02/23/190730223.db2.gz LOIFVRZHRKNDLU-UHFFFAOYSA-N 0 0 307.390 3.593 50 0 DHAARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccsc1 ZINC000068002252 190743624 /nfs/dbraw/zinc/74/36/24/190743624.db2.gz RKEXUMHRVHYULC-HNNXBMFYSA-N 0 0 311.410 3.612 50 0 DHAARN CC(C)n1nccc1NC(=O)CCCC(=O)c1ccc(F)cc1 ZINC000068234661 190755966 /nfs/dbraw/zinc/75/59/66/190755966.db2.gz SNZWVOKEBIWMBA-UHFFFAOYSA-N 0 0 317.364 3.595 50 0 DHAARN O=C(CCC1CC1)NCCCO[C@@H]1CCCc2ccccc21 ZINC000115075809 185659652 /nfs/dbraw/zinc/65/96/52/185659652.db2.gz RKMXIKCCTQLOEG-GOSISDBHSA-N 0 0 301.430 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/nfs/dbraw/zinc/75/68/91/180756891.db2.gz UXIXVNMARWQRED-UHFFFAOYSA-N 0 0 311.385 3.671 50 0 DHAARN CC(C)COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000307060 180754359 /nfs/dbraw/zinc/75/43/59/180754359.db2.gz NBOXOFSLBOEEDG-UHFFFAOYSA-N 0 0 309.365 3.518 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000000374204 180770157 /nfs/dbraw/zinc/77/01/57/180770157.db2.gz MEUUOWKJCPRJQV-UHFFFAOYSA-N 0 0 307.296 3.857 50 0 DHAARN O=C1c2ccccc2N[C@@H](c2cccnc2)N1c1ccccc1F ZINC000000384396 180773636 /nfs/dbraw/zinc/77/36/36/180773636.db2.gz HYKSADLCCCMLKW-GOSISDBHSA-N 0 0 319.339 3.992 50 0 DHAARN Fc1cccc(-c2nnc3sc(-c4cccs4)nn32)c1 ZINC000000385564 180774135 /nfs/dbraw/zinc/77/41/35/180774135.db2.gz VHEIHTMXVSDKPS-UHFFFAOYSA-N 0 0 302.359 3.720 50 0 DHAARN Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1 ZINC000000362837 180767035 /nfs/dbraw/zinc/76/70/35/180767035.db2.gz IOOIPKSNNDTFDE-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN COc1cc(OC)c(C(=O)OC2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000000365406 180768370 /nfs/dbraw/zinc/76/83/70/180768370.db2.gz AGHLLFVFFAIZDA-VXGBXAGGSA-N 0 0 322.401 3.694 50 0 DHAARN O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCC1 ZINC000000387157 180774521 /nfs/dbraw/zinc/77/45/21/180774521.db2.gz IHLHPHGZYQXXJW-UHFFFAOYSA-N 0 0 321.829 3.792 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000000433796 180789905 /nfs/dbraw/zinc/78/99/05/180789905.db2.gz XBPXIEXIFAAHEV-UHFFFAOYSA-N 0 0 304.733 3.755 50 0 DHAARN Cc1cc(OCC(=O)N[C@@H](C)c2ccccc2)ccc1Cl ZINC000000455199 180796606 /nfs/dbraw/zinc/79/66/06/180796606.db2.gz HXHNLYKXRXXTTR-ZDUSSCGKSA-N 0 0 303.789 3.905 50 0 DHAARN COc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1OC ZINC000000458548 180797413 /nfs/dbraw/zinc/79/74/13/180797413.db2.gz MFIDDYBXLUECMR-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000000462051 180798401 /nfs/dbraw/zinc/79/84/01/180798401.db2.gz OUNKCCOKKNZCAC-UHFFFAOYSA-N 0 0 312.369 3.542 50 0 DHAARN S=C(NC1CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000000469447 180800607 /nfs/dbraw/zinc/80/06/07/180800607.db2.gz ROYLZNZEEOHKEZ-UHFFFAOYSA-N 0 0 302.487 3.758 50 0 DHAARN Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1 ZINC000000444462 180793137 /nfs/dbraw/zinc/79/31/37/180793137.db2.gz ZVDYEFMBSIGOCU-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)COc1ccccc1C ZINC000000449213 180794452 /nfs/dbraw/zinc/79/44/52/180794452.db2.gz CSVGJZFEKVDSEK-UHFFFAOYSA-N 0 0 305.761 3.675 50 0 DHAARN Cc1cccc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1O ZINC000000482370 180804702 /nfs/dbraw/zinc/80/47/02/180804702.db2.gz XSYWKBIRNSRBOV-UHFFFAOYSA-N 0 0 320.344 3.894 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)c1ccco1)CCCCC2 ZINC000000483780 180805267 /nfs/dbraw/zinc/80/52/67/180805267.db2.gz SIFCXMSKWPCIKK-UHFFFAOYSA-N 0 0 319.382 3.649 50 0 DHAARN CC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000000487926 180806099 /nfs/dbraw/zinc/80/60/99/180806099.db2.gz UCMILQIHQGWDNJ-UHFFFAOYSA-N 0 0 310.305 3.819 50 0 DHAARN Cc1ccc(CSc2nnc(-c3cccnc3)n2C)cc1C ZINC000000529770 180814813 /nfs/dbraw/zinc/81/48/13/180814813.db2.gz VJODYTMCPNDLRS-UHFFFAOYSA-N 0 0 310.426 3.786 50 0 DHAARN Cc1ccc(C)c(CC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000000525507 180812715 /nfs/dbraw/zinc/81/27/15/180812715.db2.gz WAZWGKHORFFNML-UHFFFAOYSA-N 0 0 306.409 3.686 50 0 biogenic DHAARN CC(C)C(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 ZINC000000548203 180818860 /nfs/dbraw/zinc/81/88/60/180818860.db2.gz QKMXXJOOTHJJEL-UHFFFAOYSA-N 0 0 317.776 3.582 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000000585153 180826097 /nfs/dbraw/zinc/82/60/97/180826097.db2.gz MYVRYVGJEOLPEC-UHFFFAOYSA-N 0 0 320.186 3.639 50 0 DHAARN COC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)CCC2 ZINC000000611104 180827629 /nfs/dbraw/zinc/82/76/29/180827629.db2.gz PWHKAUHMESVZEX-UHFFFAOYSA-N 0 0 310.353 3.606 50 0 DHAARN COc1cc2c(cc1OC)[C@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000000611910 180828441 /nfs/dbraw/zinc/82/84/41/180828441.db2.gz HZXPPDMHVYOZMN-AWEZNQCLSA-N 0 0 311.381 3.795 50 0 DHAARN COc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c(OC)c1 ZINC000000817660 180835307 /nfs/dbraw/zinc/83/53/07/180835307.db2.gz ZCJVPZOCWMEFCK-LJQANCHMSA-N 0 0 321.380 3.848 50 0 DHAARN COc1cc([C@@H]2Nc3ccccc3-c3cc(C)nn32)ccc1O ZINC000000817680 180835371 /nfs/dbraw/zinc/83/53/71/180835371.db2.gz QEPUEEKKMBNASE-GOSISDBHSA-N 0 0 307.353 3.545 50 0 DHAARN COC(=O)[C@@H](C(=O)Nc1ccccc1C)C1CCCCCC1 ZINC000000616629 180830283 /nfs/dbraw/zinc/83/02/83/180830283.db2.gz PKMJALMXAFGBKC-MRXNPFEDSA-N 0 0 303.402 3.693 50 0 DHAARN O=C(Nc1ccc(F)cc1Cl)c1cnc2ccccc2n1 ZINC000001025789 180842410 /nfs/dbraw/zinc/84/24/10/180842410.db2.gz FSLLQTMTCYPZRX-UHFFFAOYSA-N 0 0 301.708 3.675 50 0 DHAARN CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000001085200 180845705 /nfs/dbraw/zinc/84/57/05/180845705.db2.gz TYGPEXZRJYGQCT-XIRDDKMYSA-N 0 0 315.413 3.858 50 0 DHAARN CC1(C)c2cc(Br)ccc2N2CCC(=O)N[C@]21C ZINC000001322398 180854480 /nfs/dbraw/zinc/85/44/80/180854480.db2.gz VURFTIXVCIJNRF-CQSZACIVSA-N 0 0 309.207 3.623 50 0 biogenic DHAARN O=Cc1ccccc1Oc1ccc(I)cc1 ZINC000001406110 180863328 /nfs/dbraw/zinc/86/33/28/180863328.db2.gz YBOMYWFVQPMAAK-UHFFFAOYSA-N 0 0 324.117 3.896 50 0 DHAARN O=c1cc(-c2ccccc2)sc2nnc(-c3ccccc3F)n21 ZINC000001425166 180864236 /nfs/dbraw/zinc/86/42/36/180864236.db2.gz YOCHRFSAAVALSE-UHFFFAOYSA-N 0 0 323.352 3.624 50 0 DHAARN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000001394663 180860241 /nfs/dbraw/zinc/86/02/41/180860241.db2.gz QPASTQXLZVQEKX-IBGZPJMESA-N 0 0 321.351 3.599 50 0 DHAARN CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000001462928 180868527 /nfs/dbraw/zinc/86/85/27/180868527.db2.gz HNHQJGPQHLCTSC-RBUKOAKNSA-N 0 0 307.478 3.913 50 0 biogenic DHAARN O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccccc2)n1 ZINC000001470746 180869403 /nfs/dbraw/zinc/86/94/03/180869403.db2.gz HKCFKNITTXYNFT-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN O=C(NC[C@H]1CCCO1)c1cc(-c2ccc(Cl)cc2)cs1 ZINC000001501430 180870231 /nfs/dbraw/zinc/87/02/31/180870231.db2.gz MFTPCTUGVLFUOY-CQSZACIVSA-N 0 0 321.829 3.977 50 0 DHAARN COc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 ZINC000001518596 180871603 /nfs/dbraw/zinc/87/16/03/180871603.db2.gz HDFDOMLAJISFQF-UHFFFAOYSA-N 0 0 302.330 3.696 50 0 DHAARN Cc1cccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c1 ZINC000001427559 180864951 /nfs/dbraw/zinc/86/49/51/180864951.db2.gz XHRULPJVXFYKEF-AWEZNQCLSA-N 0 0 306.317 3.542 50 0 DHAARN Cc1nc(N)sc1C(=O)OCc1ccc(Cl)cc1Cl ZINC000001429004 180865506 /nfs/dbraw/zinc/86/55/06/180865506.db2.gz VSUWVRAQYMBVNS-UHFFFAOYSA-N 0 0 317.197 3.698 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3F)c(C)c2)no1 ZINC000001428884 180865604 /nfs/dbraw/zinc/86/56/04/180865604.db2.gz HQRMVPOSJYOKNH-UHFFFAOYSA-N 0 0 311.316 3.745 50 0 DHAARN CCCCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1 ZINC000001779945 180896096 /nfs/dbraw/zinc/89/60/96/180896096.db2.gz VRPVYGIDHIXLOO-RMKNXTFCSA-N 0 0 302.399 3.974 50 0 DHAARN CCCOC(=O)Nc1ccc(I)cc1C ZINC000001800734 180897332 /nfs/dbraw/zinc/89/73/32/180897332.db2.gz SFBSPXRDSGXLGV-UHFFFAOYSA-N 0 0 319.142 3.558 50 0 DHAARN CCCCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000002399064 180922240 /nfs/dbraw/zinc/92/22/40/180922240.db2.gz PCDQYGJYOSFXDE-VIFPVBQESA-N 0 0 301.412 3.548 50 0 DHAARN CC(=O)N(c1nc(C=O)cs1)c1cccc(C(F)(F)F)c1 ZINC000002619175 180939428 /nfs/dbraw/zinc/93/94/28/180939428.db2.gz HXMBMOCLHRKRAE-UHFFFAOYSA-N 0 0 314.288 3.659 50 0 DHAARN COc1ccc(-c2nnc(SC)n2-c2ccc(C)cc2)cc1 ZINC000002629292 180940936 /nfs/dbraw/zinc/94/09/36/180940936.db2.gz KCEZHMLOINRXGE-UHFFFAOYSA-N 0 0 311.410 3.973 50 0 DHAARN Fc1ccc([C@@H]2C[C@H](C(F)(F)Cl)n3nccc3N2)cc1 ZINC000002766623 180954122 /nfs/dbraw/zinc/95/41/22/180954122.db2.gz NRRGYTCDQCVTCU-WDEREUQCSA-N 0 0 301.699 3.952 50 0 DHAARN CC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000002940811 180971431 /nfs/dbraw/zinc/97/14/31/180971431.db2.gz FHOFCVCMGXEPFD-UHFFFAOYSA-N 0 0 318.170 3.904 50 0 DHAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)NCc1ccco1 ZINC000002970768 180972938 /nfs/dbraw/zinc/97/29/38/180972938.db2.gz LLZGEIHNFCBNLX-UHFFFAOYSA-N 0 0 314.168 3.590 50 0 DHAARN CCOc1ccc(OCCOCCOc2ccccc2F)cc1 ZINC000002985198 180974225 /nfs/dbraw/zinc/97/42/25/180974225.db2.gz FKZCGRKICYXEJV-UHFFFAOYSA-N 0 0 320.360 3.699 50 0 DHAARN Cc1ccc(OCCCCn2ncc3ccccc3c2=O)c(C)c1 ZINC000003000600 180975803 /nfs/dbraw/zinc/97/58/03/180975803.db2.gz WNULLNFZMULIMA-UHFFFAOYSA-N 0 0 322.408 3.873 50 0 DHAARN O=c1c2oc3ccccc3c2ncn1Cc1cccc(Cl)c1 ZINC000003007517 180976661 /nfs/dbraw/zinc/97/66/61/180976661.db2.gz AVTJSSGHSXDNTF-UHFFFAOYSA-N 0 0 310.740 3.844 50 0 DHAARN O=C(/C=C/c1ccc(SC(F)F)cc1)NCc1ccccn1 ZINC000003183963 180989483 /nfs/dbraw/zinc/98/94/83/180989483.db2.gz WYHPKSBUPZLYMP-RMKNXTFCSA-N 0 0 320.364 3.726 50 0 DHAARN CC(=O)c1ccc(C(=O)OCc2nc3ccccc3s2)cc1 ZINC000003205226 180991916 /nfs/dbraw/zinc/99/19/16/180991916.db2.gz PEZBBZSZODRRIN-UHFFFAOYSA-N 0 0 311.362 3.856 50 0 DHAARN CNC(=O)N(C1=NC[C@H](C)S1)c1ccc(Cl)c(Cl)c1 ZINC000003157199 180987222 /nfs/dbraw/zinc/98/72/22/180987222.db2.gz VENNGDXQTKLORL-ZETCQYMHSA-N 0 0 318.229 3.631 50 0 DHAARN COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1O ZINC000003271896 180998670 /nfs/dbraw/zinc/99/86/70/180998670.db2.gz ZEXWOYWQBXWWSO-WUXMJOGZSA-N 0 0 301.729 3.547 50 0 DHAARN CCCCc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1 ZINC000003325743 181005491 /nfs/dbraw/zinc/00/54/91/181005491.db2.gz USOOSWZLNXEEAN-UHFFFAOYSA-N 0 0 311.385 3.772 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2nc3ccccc3s2)c1 ZINC000003329273 181006047 /nfs/dbraw/zinc/00/60/47/181006047.db2.gz HCYYWVBTDUAGMX-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000003282007 181000202 /nfs/dbraw/zinc/00/02/02/181000202.db2.gz CIQNKOXOLQEPHZ-VAWYXSNFSA-N 0 0 323.392 3.807 50 0 DHAARN O=C(OCc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000003294409 181001405 /nfs/dbraw/zinc/00/14/05/181001405.db2.gz UVYGIBXHJTVMAX-UHFFFAOYSA-N 0 0 307.143 3.512 50 0 DHAARN CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003293673 181001477 /nfs/dbraw/zinc/00/14/77/181001477.db2.gz ADJMEULNUKDYSL-UHFFFAOYSA-N 0 0 324.405 3.847 50 0 DHAARN CCNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000003294558 181001503 /nfs/dbraw/zinc/00/15/03/181001503.db2.gz QHOGTQNMYRHCQE-UHFFFAOYSA-N 0 0 319.817 3.799 50 0 DHAARN COc1ccc(C(C)=O)cc1COC(=O)C=Cc1cccs1 ZINC000003298006 181001521 /nfs/dbraw/zinc/00/15/21/181001521.db2.gz VXBXEJIPEDTCOA-SOFGYWHQSA-N 0 0 316.378 3.716 50 0 DHAARN Cc1ccsc1C(=O)OCC(=O)Nc1ccccc1Cl ZINC000003313921 181003494 /nfs/dbraw/zinc/00/34/94/181003494.db2.gz ZCHLHYMRNKPDRV-UHFFFAOYSA-N 0 0 309.774 3.505 50 0 DHAARN O=C(CCC(=O)c1ccccc1)Nc1ccccc1OC(F)F ZINC000003311819 181003749 /nfs/dbraw/zinc/00/37/49/181003749.db2.gz RHWKWYVSASCKIM-UHFFFAOYSA-N 0 0 319.307 3.890 50 0 DHAARN Cc1csc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000003313497 181003953 /nfs/dbraw/zinc/00/39/53/181003953.db2.gz OFIVLYPAKMQCTE-CQSZACIVSA-N 0 0 318.467 3.737 50 0 DHAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1F ZINC000003360414 181011753 /nfs/dbraw/zinc/01/17/53/181011753.db2.gz ZYTDWLPHPPLEID-UHFFFAOYSA-N 0 0 324.307 3.640 50 0 DHAARN C/C=C/C(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000003376233 181012596 /nfs/dbraw/zinc/01/25/96/181012596.db2.gz WRNCQYLLURDBEC-FARCUNLSSA-N 0 0 311.337 3.537 50 0 DHAARN CCc1nc2ccccc2c(C(=O)O[C@@H]2CCCCC2=O)c1C ZINC000003377076 181012630 /nfs/dbraw/zinc/01/26/30/181012630.db2.gz MDTABBQVXSTQCG-QGZVFWFLSA-N 0 0 311.381 3.774 50 0 DHAARN O=C(CCC(=O)c1cccs1)Nc1nc2c(s1)CCCC2 ZINC000003372459 181012958 /nfs/dbraw/zinc/01/29/58/181012958.db2.gz UNRLGOAQMODBLX-UHFFFAOYSA-N 0 0 320.439 3.685 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)s1 ZINC000003384884 181013952 /nfs/dbraw/zinc/01/39/52/181013952.db2.gz VKGAITMLDBGUDQ-UHFFFAOYSA-N 0 0 317.410 3.849 50 0 DHAARN CN(CC(=O)Nc1c(F)cccc1F)Cc1cccc(Cl)c1 ZINC000003334827 181007523 /nfs/dbraw/zinc/00/75/23/181007523.db2.gz YHSFSMFZIWDUJQ-UHFFFAOYSA-N 0 0 324.758 3.689 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)c2c(F)cccc2Cl)c1 ZINC000003336862 181007634 /nfs/dbraw/zinc/00/76/34/181007634.db2.gz AYVBNCYUQJXCTO-UHFFFAOYSA-N 0 0 321.735 3.826 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000003388301 181014455 /nfs/dbraw/zinc/01/44/55/181014455.db2.gz HTMOWIXJADLHRV-UHFFFAOYSA-N 0 0 319.360 3.944 50 0 DHAARN O=C(/C=C/c1ccc(OC(F)F)cc1)NCC1CCCCC1 ZINC000003352565 181010460 /nfs/dbraw/zinc/01/04/60/181010460.db2.gz FQSSEVLLSBONOT-DHZHZOJOSA-N 0 0 309.356 3.998 50 0 DHAARN ClC1(Cl)C[C@@H]1CNc1ncnc2sc3c(c21)CCC3 ZINC000003399101 181014978 /nfs/dbraw/zinc/01/49/78/181014978.db2.gz COPZYULRFWWCPX-SSDOTTSWSA-N 0 0 314.241 3.786 50 0 DHAARN Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc(Cl)c2)c1 ZINC000003401383 181015198 /nfs/dbraw/zinc/01/51/98/181015198.db2.gz ATGRHFQPYHYJFH-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN Cc1csc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000003404017 181015986 /nfs/dbraw/zinc/01/59/86/181015986.db2.gz KLGDNMPUPOQCBE-UHFFFAOYSA-N 0 0 301.198 3.940 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nncs2)c(C)c1 ZINC000003413233 181016478 /nfs/dbraw/zinc/01/64/78/181016478.db2.gz BBYDVHCRPRLNMC-LLVKDONJSA-N 0 0 307.444 3.583 50 0 DHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000003411200 181016534 /nfs/dbraw/zinc/01/65/34/181016534.db2.gz WDWNETUSTMWIQT-UHFFFAOYSA-N 0 0 306.724 3.690 50 0 DHAARN CCOC(=O)c1c(C)[nH]c(C=O)c1Cc1cccc(Cl)c1 ZINC000003416115 181016761 /nfs/dbraw/zinc/01/67/61/181016761.db2.gz QDPYBCKZIWKMTO-UHFFFAOYSA-N 0 0 305.761 3.557 50 0 DHAARN CCCCc1ccc(NC(=O)CSc2nncs2)cc1 ZINC000003413486 181017033 /nfs/dbraw/zinc/01/70/33/181017033.db2.gz XNRPWFYJPDVJQG-UHFFFAOYSA-N 0 0 307.444 3.612 50 0 DHAARN Cc1sc2ncnc(NCc3nc4ccccc4[nH]3)c2c1C ZINC000003438732 181019628 /nfs/dbraw/zinc/01/96/28/181019628.db2.gz MLDVZABZVJPADR-UHFFFAOYSA-N 0 0 309.398 3.797 50 0 DHAARN C[C@H](NC(=O)CSc1ccccc1F)c1ccc(F)cc1 ZINC000003442373 181020369 /nfs/dbraw/zinc/02/03/69/181020369.db2.gz QMWMDQZGCODCFN-NSHDSACASA-N 0 0 307.365 3.934 50 0 DHAARN Cc1cc(C)cc(CN2C(=O)NC3(CCCCCCC3)C2=O)c1 ZINC000003463638 181023692 /nfs/dbraw/zinc/02/36/92/181023692.db2.gz WZCWHBHUYUEVHM-UHFFFAOYSA-N 0 0 314.429 3.838 50 0 DHAARN 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/nfs/dbraw/zinc/37/64/05/182376405.db2.gz PSICVQPZGFMQCS-LBPRGKRZSA-N 0 0 308.303 3.649 50 0 DHAARN Cc1c2cc(F)ccc2oc1C(=O)NCCc1cccs1 ZINC000023761330 182368105 /nfs/dbraw/zinc/36/81/05/182368105.db2.gz UBJSJGZGRZACKJ-UHFFFAOYSA-N 0 0 303.358 3.914 50 0 DHAARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000024050581 182373382 /nfs/dbraw/zinc/37/33/82/182373382.db2.gz MOZBGDPFRIZRLX-CYBMUJFWSA-N 0 0 311.410 3.767 50 0 DHAARN Cc1nc(NC(=O)c2ccc(C(F)(F)F)nc2C)sc1C ZINC000024742183 182389428 /nfs/dbraw/zinc/38/94/28/182389428.db2.gz XFESKULTLUAZPW-UHFFFAOYSA-N 0 0 315.320 3.734 50 0 DHAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cccn1 ZINC000024750668 182390004 /nfs/dbraw/zinc/39/00/04/182390004.db2.gz SGYCLVDOFTUYRY-AWEZNQCLSA-N 0 0 307.353 3.875 50 0 DHAARN O=C(NCc1nc2ccccc2s1)Nc1ccc(F)cc1 ZINC000024365893 182379364 /nfs/dbraw/zinc/37/93/64/182379364.db2.gz NNAKOSOVEZMHLC-UHFFFAOYSA-N 0 0 301.346 3.757 50 0 DHAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cccnc2)cc1 ZINC000024392185 182380068 /nfs/dbraw/zinc/38/00/68/182380068.db2.gz YUNXRTHXXDYYKU-GOSISDBHSA-N 0 0 310.397 3.848 50 0 DHAARN Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c(C)s1 ZINC000024443568 182380876 /nfs/dbraw/zinc/38/08/76/182380876.db2.gz BCANVXAXDXNKPJ-UHFFFAOYSA-N 0 0 321.467 3.718 50 0 DHAARN C[C@@H](Nc1ccc2c(c1)OCCO2)c1nnc(-c2ccccc2)o1 ZINC000024515081 182382790 /nfs/dbraw/zinc/38/27/90/182382790.db2.gz XYCFYIQZPICXIG-GFCCVEGCSA-N 0 0 323.352 3.681 50 0 DHAARN O=C(NC1CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000024592833 182384728 /nfs/dbraw/zinc/38/47/28/182384728.db2.gz DDFYZOVXXNBAIK-UHFFFAOYSA-N 0 0 308.219 3.540 50 0 DHAARN Cc1noc(C)c1C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000024584992 182384916 /nfs/dbraw/zinc/38/49/16/182384916.db2.gz VKHOYQIGUPPAPO-JTQLQIEISA-N 0 0 302.399 3.823 50 0 DHAARN O=C(C[C@H]1C=CCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024693530 182387813 /nfs/dbraw/zinc/38/78/13/182387813.db2.gz VVNYVSATMBJDKE-LSDHHAIUSA-N 0 0 310.397 3.890 50 0 DHAARN Cc1ccc(CNC(=O)N[C@@H](C)CCc2ccccc2)cc1F ZINC000024986909 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ZINC000028010509 182504505 /nfs/dbraw/zinc/50/45/05/182504505.db2.gz FKOHRPFDTGORCU-UHFFFAOYSA-N 0 0 306.416 3.664 50 0 DHAARN O=C(CCCc1nc2ccccc2[nH]1)NCCC1=CCCCC1 ZINC000029054996 182550491 /nfs/dbraw/zinc/55/04/91/182550491.db2.gz VHAYYNPSSQCNLK-UHFFFAOYSA-N 0 0 311.429 3.892 50 0 DHAARN O=C(NCCc1ccc(F)cc1)c1csc(-c2ccco2)n1 ZINC000029507154 182568185 /nfs/dbraw/zinc/56/81/85/182568185.db2.gz BYACYNPENYGCFE-UHFFFAOYSA-N 0 0 316.357 3.515 50 0 DHAARN Cc1ccc(CN(C)C(=O)c2csc(-c3ccc(C)o3)n2)o1 ZINC000031206642 182609011 /nfs/dbraw/zinc/60/90/11/182609011.db2.gz WKICGHLCZSNIHG-UHFFFAOYSA-N 0 0 316.382 3.885 50 0 DHAARN Cc1ccc(-c2nc(C(=O)Nc3ncc(C)s3)cs2)o1 ZINC000031228203 182609240 /nfs/dbraw/zinc/60/92/40/182609240.db2.gz RMOMAVCMQPAADU-UHFFFAOYSA-N 0 0 305.384 3.729 50 0 DHAARN COc1ccc(NC(=O)Cn2ccc3c2cccc3Cl)cc1 ZINC000032088724 182633942 /nfs/dbraw/zinc/63/39/42/182633942.db2.gz HMGNZOPJTRJESV-UHFFFAOYSA-N 0 0 314.772 3.942 50 0 DHAARN Cc1nc(-c2cccnc2)sc1C(=O)N(C)C1CCCCC1 ZINC000031864693 182626578 /nfs/dbraw/zinc/62/65/78/182626578.db2.gz PJOQPKZXZIMVDK-UHFFFAOYSA-N 0 0 315.442 3.918 50 0 DHAARN Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000032481296 182643669 /nfs/dbraw/zinc/64/36/69/182643669.db2.gz VGETYZZCGOWIBP-GOSISDBHSA-N 0 0 312.413 3.760 50 0 DHAARN COc1cccc2ccc(-c3ccc(C(=O)N(C)C)cc3)nc21 ZINC000032500720 182645112 /nfs/dbraw/zinc/64/51/12/182645112.db2.gz BFZBBWABZVWAMW-UHFFFAOYSA-N 0 0 306.365 3.612 50 0 DHAARN C[C@@H]1CC[C@H](OC(=O)CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000032581168 182648684 /nfs/dbraw/zinc/64/86/84/182648684.db2.gz CTEKOCWIQAXHMQ-YCPHGPKFSA-N 0 0 309.450 3.583 50 0 DHAARN Cc1nc2ccc(C(=O)N[C@@H]3CCCc4occc43)cc2nc1C ZINC000032771127 182661443 /nfs/dbraw/zinc/66/14/43/182661443.db2.gz PGFOROLFXJBVJL-OAHLLOKOSA-N 0 0 321.380 3.647 50 0 DHAARN COc1ccccc1Nc1nc(C(C)C)nc2c(C)nn(C)c21 ZINC000032651144 182653652 /nfs/dbraw/zinc/65/36/52/182653652.db2.gz MSBCSHFIIHUTKE-UHFFFAOYSA-N 0 0 311.389 3.547 50 0 DHAARN CC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000032833242 182669855 /nfs/dbraw/zinc/66/98/55/182669855.db2.gz HDJGRJSWHNTVHS-UHFFFAOYSA-N 0 0 324.311 3.936 50 0 DHAARN CCc1ccc(-n2nc3oc4ccc(C)cc4cc-3c2=O)cc1 ZINC000033020940 182689209 /nfs/dbraw/zinc/68/92/09/182689209.db2.gz BVWDEAWJLWTROC-UHFFFAOYSA-N 0 0 304.349 3.954 50 0 DHAARN C[C@@H](NC(=O)C(C)(C)C)c1ccc(OCc2cccnc2)cc1 ZINC000032924678 182681549 /nfs/dbraw/zinc/68/15/49/182681549.db2.gz WVRSWSCBJPSQSW-CQSZACIVSA-N 0 0 312.413 3.884 50 0 DHAARN COc1cccc(NC(=O)Nc2ccc(-c3noc(C)n3)cc2)c1 ZINC000033257257 182697624 /nfs/dbraw/zinc/69/76/24/182697624.db2.gz HUFKZLUNQAZWRT-UHFFFAOYSA-N 0 0 324.340 3.698 50 0 DHAARN O=C(NC1CCCC1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257680 182698564 /nfs/dbraw/zinc/69/85/64/182698564.db2.gz WHPSTMQZZCKZSZ-UHFFFAOYSA-N 0 0 311.385 3.677 50 0 DHAARN CCOc1c(C[C@H]2c3cccc(C)c3NC2=O)cccc1OC ZINC000101016264 193806876 /nfs/dbraw/zinc/80/68/76/193806876.db2.gz PJSABFBCRTVRMS-HNNXBMFYSA-N 0 0 311.381 3.681 50 0 DHAARN O=C(CSc1nc(-c2ccccc2)cs1)N1CCCC1 ZINC000033786626 182722843 /nfs/dbraw/zinc/72/28/43/182722843.db2.gz QBRNTWARXKFWHD-UHFFFAOYSA-N 0 0 304.440 3.525 50 0 DHAARN CCc1cc(NC(=O)c2ccoc2)nn1-c1cccc(Cl)c1 ZINC000034907396 182742673 /nfs/dbraw/zinc/74/26/73/182742673.db2.gz XGXUDDNNKQYLCO-UHFFFAOYSA-N 0 0 315.760 3.933 50 0 DHAARN CC(=O)N(Cc1csc(COc2ccccc2)n1)CC(C)C ZINC000035741741 182787048 /nfs/dbraw/zinc/78/70/48/182787048.db2.gz GYTPXOXYIYNLPC-UHFFFAOYSA-N 0 0 318.442 3.727 50 0 DHAARN CC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccc(C)cc1 ZINC000036628665 182831644 /nfs/dbraw/zinc/83/16/44/182831644.db2.gz AEQKMXKFHUJSGE-UHFFFAOYSA-N 0 0 318.376 3.923 50 0 DHAARN Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c(C)o1 ZINC000036674294 182834666 /nfs/dbraw/zinc/83/46/66/182834666.db2.gz LCTJNPKCLPCASD-INIZCTEOSA-N 0 0 320.820 3.583 50 0 DHAARN COc1cccc2cc(C(=O)NCc3c(F)cccc3F)oc21 ZINC000038488879 183000516 /nfs/dbraw/zinc/00/05/16/183000516.db2.gz BBLZFSRZWVYLDL-UHFFFAOYSA-N 0 0 317.291 3.650 50 0 DHAARN CC(C)N(C(=O)CNc1cc(F)ccc1F)c1ccccc1 ZINC000040007948 183027197 /nfs/dbraw/zinc/02/71/97/183027197.db2.gz WBWDXNSLENWDFZ-UHFFFAOYSA-N 0 0 304.340 3.818 50 0 DHAARN Cc1nc2ccc(NCC(=O)N3[C@H](C)CCC[C@H]3C)cc2s1 ZINC000040012031 183027356 /nfs/dbraw/zinc/02/73/56/183027356.db2.gz XFJFBNSAVPHXIW-VXGBXAGGSA-N 0 0 317.458 3.806 50 0 DHAARN O=C(Nc1ccncc1)C1(c2cccc(Br)c2)CC1 ZINC000040058814 183030040 /nfs/dbraw/zinc/03/00/40/183030040.db2.gz CXXLATREKAWVNN-UHFFFAOYSA-N 0 0 317.186 3.514 50 0 DHAARN O=C(CNc1ccccc1Oc1ccccc1)NCC(F)(F)F ZINC000039972127 183025744 /nfs/dbraw/zinc/02/57/44/183025744.db2.gz IJBVWEPOMJZGQC-UHFFFAOYSA-N 0 0 324.302 3.569 50 0 DHAARN CCOC(=O)c1ccoc1CN(Cc1ccc(C)o1)C1CC1 ZINC000040153599 183040513 /nfs/dbraw/zinc/04/05/13/183040513.db2.gz LZPOGSJDOHZNGZ-UHFFFAOYSA-N 0 0 303.358 3.522 50 0 DHAARN Cc1ccccc1NCCC(=O)NCc1ccc(Cl)cc1 ZINC000040159854 183041113 /nfs/dbraw/zinc/04/11/13/183041113.db2.gz HDHNHRRSHXZYBJ-UHFFFAOYSA-N 0 0 302.805 3.767 50 0 DHAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)cc1F ZINC000040162159 183041679 /nfs/dbraw/zinc/04/16/79/183041679.db2.gz XVFYTYVRUIHVLS-UHFFFAOYSA-N 0 0 301.745 3.952 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)Nc1ccc(F)c(F)c1F ZINC000040097347 183034069 /nfs/dbraw/zinc/03/40/69/183034069.db2.gz FJOXLONOUJLXKX-UHFFFAOYSA-N 0 0 320.314 3.957 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000040097593 183034167 /nfs/dbraw/zinc/03/41/67/183034167.db2.gz GJWUCHLESQKTJG-UHFFFAOYSA-N 0 0 302.324 3.818 50 0 DHAARN COc1cc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc(OC)c1 ZINC000040097743 183034207 /nfs/dbraw/zinc/03/42/07/183034207.db2.gz PBCKXWOTOKIJGD-NSHDSACASA-N 0 0 318.348 3.726 50 0 DHAARN C[C@H](CO)NC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000040103308 183034997 /nfs/dbraw/zinc/03/49/97/183034997.db2.gz OXKAFWJBMUYYFJ-LLVKDONJSA-N 0 0 320.776 3.635 50 0 DHAARN O=C(NOCc1ccccc1)c1cnc(-c2ccccc2)s1 ZINC000040106547 183035583 /nfs/dbraw/zinc/03/55/83/183035583.db2.gz BYAUPHFGWFLFDV-UHFFFAOYSA-N 0 0 310.378 3.672 50 0 DHAARN Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000040107364 183036512 /nfs/dbraw/zinc/03/65/12/183036512.db2.gz IZZIKLJGEQPVSK-UHFFFAOYSA-N 0 0 323.371 3.809 50 0 DHAARN O=C(Nc1nc(-c2ccco2)cs1)c1ccnc(Cl)c1 ZINC000040111402 183036780 /nfs/dbraw/zinc/03/67/80/183036780.db2.gz MASDPERWLGIXAI-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN C[C@H](C(=O)Nc1ccccc1N(C)c1ccccc1)n1cccn1 ZINC000040114548 183036859 /nfs/dbraw/zinc/03/68/59/183036859.db2.gz XDOLZAVRSIPJPK-OAHLLOKOSA-N 0 0 320.396 3.851 50 0 DHAARN COc1ccc(F)cc1-c1csc(NC(=O)c2ccoc2)n1 ZINC000040111345 183037364 /nfs/dbraw/zinc/03/73/64/183037364.db2.gz KGQAUYWSOBTEFS-UHFFFAOYSA-N 0 0 318.329 3.803 50 0 DHAARN COc1cccc(CNC(=O)c2cccnc2SC(C)C)c1 ZINC000040120087 183037513 /nfs/dbraw/zinc/03/75/13/183037513.db2.gz XMBUKEYIYWTJTF-UHFFFAOYSA-N 0 0 316.426 3.521 50 0 DHAARN CCc1nc(NC(=O)c2cc(OC)c(C)c(OC)c2)sc1C ZINC000040118933 183037847 /nfs/dbraw/zinc/03/78/47/183037847.db2.gz UPXMFLHXNSECMM-UHFFFAOYSA-N 0 0 320.414 3.592 50 0 DHAARN CCCCOc1ccc(CCNC(=O)c2scnc2C)cc1 ZINC000040122364 183038575 /nfs/dbraw/zinc/03/85/75/183038575.db2.gz DRQIUHDBHYESHA-UHFFFAOYSA-N 0 0 318.442 3.603 50 0 DHAARN CCCCOc1cccc(CNC(=O)COc2ccccc2)c1 ZINC000040122174 183038672 /nfs/dbraw/zinc/03/86/72/183038672.db2.gz AASBGSNSCVNTCM-UHFFFAOYSA-N 0 0 313.397 3.561 50 0 DHAARN CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000040121685 183038759 /nfs/dbraw/zinc/03/87/59/183038759.db2.gz QVBUGGNSDPJJRZ-GJZGRUSLSA-N 0 0 307.434 3.712 50 0 DHAARN CCCCOc1cccc(CNC(=O)c2scnc2C)c1 ZINC000040122172 183038791 /nfs/dbraw/zinc/03/87/91/183038791.db2.gz FBSSJVLZBYOHHI-UHFFFAOYSA-N 0 0 304.415 3.560 50 0 DHAARN CC(C)c1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000040144038 183039158 /nfs/dbraw/zinc/03/91/58/183039158.db2.gz JWSPTPFXSNVAEM-RKDXNWHRSA-N 0 0 321.368 3.969 50 0 DHAARN O=C1C[C@@H](c2cccc(O)c2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040284764 183051306 /nfs/dbraw/zinc/05/13/06/183051306.db2.gz NIGLNGQRJYMJTK-HNNXBMFYSA-N 0 0 323.327 3.841 50 0 DHAARN CCCNC(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000040300719 183052576 /nfs/dbraw/zinc/05/25/76/183052576.db2.gz CWKKJKAESMVCRK-OUKQBFOZSA-N 0 0 319.408 3.733 50 0 DHAARN CCOc1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000040413882 183062987 /nfs/dbraw/zinc/06/29/87/183062987.db2.gz HXUWMSSFSXPSQB-UHFFFAOYSA-N 0 0 310.309 3.531 50 0 DHAARN O=C(Nc1ccc2[nH]cnc2c1)c1ccccc1Br ZINC000040268896 183050127 /nfs/dbraw/zinc/05/01/27/183050127.db2.gz DIZCZRFYLHEANZ-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN Cc1cccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000040478377 183075682 /nfs/dbraw/zinc/07/56/82/183075682.db2.gz APVUKXPOWWUSGK-UHFFFAOYSA-N 0 0 309.344 3.801 50 0 DHAARN CC(=O)c1ccc(OCc2noc(-c3cccs3)n2)cc1 ZINC000040498053 183083016 /nfs/dbraw/zinc/08/30/16/183083016.db2.gz WRHQYOPPPJZGGN-UHFFFAOYSA-N 0 0 300.339 3.580 50 0 DHAARN Cc1cccc(NC(=O)CCCc2nc(C(C)C)no2)c1C ZINC000040515640 183088882 /nfs/dbraw/zinc/08/88/82/183088882.db2.gz OSMVGUSGPZFBBZ-UHFFFAOYSA-N 0 0 301.390 3.771 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000040526883 183092693 /nfs/dbraw/zinc/09/26/93/183092693.db2.gz QIRBRTNRYPRADT-PHIMTYICSA-N 0 0 323.824 3.808 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2ccsc2)c1C ZINC000040535806 183095378 /nfs/dbraw/zinc/09/53/78/183095378.db2.gz KWCMJLUWYNYPQY-CQSZACIVSA-N 0 0 316.426 3.873 50 0 DHAARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2nccs2)c1 ZINC000040553523 183100353 /nfs/dbraw/zinc/10/03/53/183100353.db2.gz ZIHNUTFQTNOATO-JTQLQIEISA-N 0 0 310.806 3.535 50 0 DHAARN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000041095122 183164619 /nfs/dbraw/zinc/16/46/19/183164619.db2.gz GDLWIAPVJNGTBE-GFCCVEGCSA-N 0 0 309.818 3.688 50 0 DHAARN CCCCNC(=O)N1CCCC[C@@H]1c1nc([C@H](C)CC)no1 ZINC000041122866 183168466 /nfs/dbraw/zinc/16/84/66/183168466.db2.gz HHFMHNLSBBFEFO-CHWSQXEVSA-N 0 0 308.426 3.620 50 0 DHAARN O=C(Nc1ccncc1)c1ccccc1SC[C@@H]1CCCO1 ZINC000042034238 183230447 /nfs/dbraw/zinc/23/04/47/183230447.db2.gz HCSZGCCANFQNMH-AWEZNQCLSA-N 0 0 314.410 3.605 50 0 DHAARN Cc1ccc(CN[C@@H](c2nccn2C)c2ccccc2)cc1C ZINC000042203593 183241599 /nfs/dbraw/zinc/24/15/99/183241599.db2.gz FKZVUPFQMGLCQM-LJQANCHMSA-N 0 0 305.425 3.916 50 0 DHAARN O=C(CCc1ccccc1)Nc1nc(-c2ccccc2)ns1 ZINC000042090732 183232077 /nfs/dbraw/zinc/23/20/77/183232077.db2.gz GPGXROSVNQWCFH-UHFFFAOYSA-N 0 0 309.394 3.776 50 0 DHAARN Cc1ccc(C(=O)NCc2ccc(Br)cc2)cc1 ZINC000042418630 183266583 /nfs/dbraw/zinc/26/65/83/183266583.db2.gz ZAEDPCLNDJYFGJ-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN Fc1cccc(F)c1CC[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000042475832 183274423 /nfs/dbraw/zinc/27/44/23/183274423.db2.gz BEBYWXMYCJHVEB-ZDUSSCGKSA-N 0 0 305.372 3.533 50 0 DHAARN O[C@H](c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000042658094 183294463 /nfs/dbraw/zinc/29/44/63/183294463.db2.gz VATOPGPWROYFDG-GOSISDBHSA-N 0 0 308.381 3.778 50 0 DHAARN O[C@@H](c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000042658093 183294697 /nfs/dbraw/zinc/29/46/97/183294697.db2.gz VATOPGPWROYFDG-SFHVURJKSA-N 0 0 308.381 3.778 50 0 DHAARN COc1ccc(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)cc1 ZINC000042790960 183309101 /nfs/dbraw/zinc/30/91/01/183309101.db2.gz NHSXRFQTBIYGAI-GOSISDBHSA-N 0 0 312.413 3.562 50 0 DHAARN Cc1nnc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)s1 ZINC000043406784 183359218 /nfs/dbraw/zinc/35/92/18/183359218.db2.gz SLEMYFUUDGWLAB-GFCCVEGCSA-N 0 0 322.459 3.961 50 0 DHAARN Cc1cccc(C(=O)c2cccc(I)c2)c1 ZINC000043210206 183344668 /nfs/dbraw/zinc/34/46/68/183344668.db2.gz DFJZTERJPKIVOF-UHFFFAOYSA-N 0 0 322.145 3.831 50 0 DHAARN CCOC(=O)CCCCCCC(=O)c1ccc(N(C)C)cc1 ZINC000043214358 183345224 /nfs/dbraw/zinc/34/52/24/183345224.db2.gz ROVQFTVFFKMQNF-UHFFFAOYSA-N 0 0 305.418 3.839 50 0 DHAARN O=C(NCc1ccccc1OC(F)F)N1CCc2ccccc21 ZINC000043229512 183345900 /nfs/dbraw/zinc/34/59/00/183345900.db2.gz MTCQFMDYIODKLW-UHFFFAOYSA-N 0 0 318.323 3.560 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(F)cc1Cl ZINC000043261691 183349232 /nfs/dbraw/zinc/34/92/32/183349232.db2.gz UVJVRAKEMLFYND-UHFFFAOYSA-N 0 0 311.744 3.748 50 0 DHAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000043332517 183356083 /nfs/dbraw/zinc/35/60/83/183356083.db2.gz DUEFAUHBKGGMOB-OAHLLOKOSA-N 0 0 315.373 3.751 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000043654020 183377544 /nfs/dbraw/zinc/37/75/44/183377544.db2.gz UNESRMDKXKZVKY-UHFFFAOYSA-N 0 0 317.776 3.620 50 0 DHAARN Nc1ccc([S@](=O)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000043827958 183387086 /nfs/dbraw/zinc/38/70/86/183387086.db2.gz YAOSSDBUIGFYHS-HXUWFJFHSA-N 0 0 320.723 3.503 50 0 DHAARN NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000044033709 183392744 /nfs/dbraw/zinc/39/27/44/183392744.db2.gz WDNBKOIMRQBQAD-OWBHPGMISA-N 0 0 300.361 3.821 50 0 DHAARN CCCCCCNC(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000044084608 183394366 /nfs/dbraw/zinc/39/43/66/183394366.db2.gz IQGNDIBHMPBMJG-UHFFFAOYSA-N 0 0 305.422 3.983 50 0 DHAARN Cc1nn(C)c(C(=O)c2cccc(C(F)(F)F)c2)c1Cl ZINC000044126263 183395886 /nfs/dbraw/zinc/39/58/86/183395886.db2.gz OJXWBDGLHXEDET-UHFFFAOYSA-N 0 0 302.683 3.632 50 0 DHAARN CCOC(=O)c1cn(-c2ccc(CC)cc2)c(=O)c2ccccc12 ZINC000044167245 183397307 /nfs/dbraw/zinc/39/73/07/183397307.db2.gz ODONDTCRDHRDPN-UHFFFAOYSA-N 0 0 321.376 3.730 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000044892138 183449138 /nfs/dbraw/zinc/44/91/38/183449138.db2.gz ZDFDCKFVDZPVBO-CQSZACIVSA-N 0 0 314.433 3.725 50 0 DHAARN O=C(NCc1ccc(Cl)s1)N1CCC[C@@H]1c1ccncc1 ZINC000044971178 183469404 /nfs/dbraw/zinc/46/94/04/183469404.db2.gz UZVQWDDBKWCHNM-CYBMUJFWSA-N 0 0 321.833 3.843 50 0 DHAARN CCCCS(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000046704942 183567201 /nfs/dbraw/zinc/56/72/01/183567201.db2.gz KBTJOTBWXRYEPL-VIFPVBQESA-N 0 0 310.246 3.774 50 0 DHAARN Cc1cc2nnc(S[C@@H]3CCCc4ccccc43)n2c(C)n1 ZINC000046876353 183571900 /nfs/dbraw/zinc/57/19/00/183571900.db2.gz RYKLJPSNWLOZSZ-OAHLLOKOSA-N 0 0 310.426 3.911 50 0 DHAARN CSCc1nnc(SCc2cccc3cccnc32)o1 ZINC000048325784 183644812 /nfs/dbraw/zinc/64/48/12/183644812.db2.gz JEKAIWKKACXZPG-UHFFFAOYSA-N 0 0 303.412 3.773 50 0 DHAARN Cc1sc2[nH]c(Cc3csc(C(C)C)n3)nc(=O)c2c1C ZINC000050178985 183776335 /nfs/dbraw/zinc/77/63/35/183776335.db2.gz WJVYIMAOTFJTFA-UHFFFAOYSA-N 0 0 319.455 3.772 50 0 DHAARN CN(Cc1ccccn1)C(=O)CCCOc1ccccc1Cl ZINC000050587409 183789609 /nfs/dbraw/zinc/78/96/09/183789609.db2.gz BGPNCGYUXWDMOX-UHFFFAOYSA-N 0 0 318.804 3.553 50 0 DHAARN Cc1cc(OC(C)C)ccc1NC(=O)NCCc1nccs1 ZINC000051617469 183831638 /nfs/dbraw/zinc/83/16/38/183831638.db2.gz NBNZBFBTOVRNBR-UHFFFAOYSA-N 0 0 319.430 3.603 50 0 DHAARN O=C(Nc1ccc2ccccc2n1)c1ccc2c(c1)OCCCO2 ZINC000052836802 183875534 /nfs/dbraw/zinc/87/55/34/183875534.db2.gz CENXMLJTOSBKJG-UHFFFAOYSA-N 0 0 320.348 3.648 50 0 DHAARN CSc1ccc(CN(C(=O)[C@H](C)OC(C)C)C2CC2)cc1 ZINC000055119647 183965477 /nfs/dbraw/zinc/96/54/77/183965477.db2.gz OKMPSETZYWZJFN-ZDUSSCGKSA-N 0 0 307.459 3.713 50 0 DHAARN CC/C=C/CC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055393113 183984669 /nfs/dbraw/zinc/98/46/69/183984669.db2.gz HKJRVTLQYICBJR-SNAWJCMRSA-N 0 0 301.365 3.531 50 0 DHAARN CCN(Cc1ccncc1)C(=O)CCn1c(C)cc2ccccc21 ZINC000055414379 183986610 /nfs/dbraw/zinc/98/66/10/183986610.db2.gz KSBFRAOTPMDJRE-UHFFFAOYSA-N 0 0 321.424 3.784 50 0 DHAARN O=C(NC[C@@H]1CCCOC1)c1ccc(-c2ccccc2Cl)o1 ZINC000055921832 184000680 /nfs/dbraw/zinc/00/06/80/184000680.db2.gz AUKLKTQYVFJTDA-LBPRGKRZSA-N 0 0 319.788 3.756 50 0 DHAARN O=c1nc(C[N@@H+]2CCC[C@@H]2C2CCCC2)[n-]c2ccsc21 ZINC000055927933 184001340 /nfs/dbraw/zinc/00/13/40/184001340.db2.gz HHSBSFNPEKTCLI-CYBMUJFWSA-N 0 0 303.431 3.552 50 0 DHAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc3[nH]ccc3c2)c1 ZINC000055575595 183991947 /nfs/dbraw/zinc/99/19/47/183991947.db2.gz OQFDEYVNZZIVKR-CQSZACIVSA-N 0 0 307.397 3.575 50 0 DHAARN Cc1ccccc1C1(CNC(=O)[C@@H]2CC=CCC2)CCOCC1 ZINC000055760812 183996056 /nfs/dbraw/zinc/99/60/56/183996056.db2.gz PPXWHXFGKZLZIS-QGZVFWFLSA-N 0 0 313.441 3.516 50 0 DHAARN COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000056001414 184002649 /nfs/dbraw/zinc/00/26/49/184002649.db2.gz ZGBPZCZGXBBVEL-IBGZPJMESA-N 0 0 309.409 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DHAARN COc1ccc(C)cc1NCCC(=O)Nc1cc(F)ccc1C ZINC000058026550 184069372 /nfs/dbraw/zinc/06/93/72/184069372.db2.gz URCDTXKPAUCFFE-UHFFFAOYSA-N 0 0 316.376 3.892 50 0 DHAARN O=C(Nc1nccs1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000058047896 184070543 /nfs/dbraw/zinc/07/05/43/184070543.db2.gz BJOPQHHNWWZWPU-HNNXBMFYSA-N 0 0 324.409 3.582 50 0 DHAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000058009716 184066785 /nfs/dbraw/zinc/06/67/85/184066785.db2.gz JSAOTFIQNYRVHD-GFCCVEGCSA-N 0 0 313.445 3.825 50 0 DHAARN C[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000058014603 184067390 /nfs/dbraw/zinc/06/73/90/184067390.db2.gz OBVOSGMCSKWHTK-LBPRGKRZSA-N 0 0 309.344 3.707 50 0 DHAARN COCCCCN(Cc1ccccc1)C(=O)Nc1nccs1 ZINC000058016801 184067723 /nfs/dbraw/zinc/06/77/23/184067723.db2.gz NIVHUNSQIBCJDQ-UHFFFAOYSA-N 0 0 319.430 3.604 50 0 DHAARN CSc1ccc([C@H](C)NC(=O)CCc2ccccn2)cc1 ZINC000058023469 184069315 /nfs/dbraw/zinc/06/93/15/184069315.db2.gz KUVFLSXSEFMRQP-ZDUSSCGKSA-N 0 0 300.427 3.614 50 0 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CCCNC(=O)[C@@H](C)SCc1csc(-c2ccco2)n1 ZINC000058154209 184081689 /nfs/dbraw/zinc/08/16/89/184081689.db2.gz UGFIJOGPLYZGMK-SNVBAGLBSA-N 0 0 310.444 3.551 50 0 DHAARN COC[C@@H](C)c1nc(-c2ccc(N3CCCC3=O)cc2)cs1 ZINC000058355546 184107571 /nfs/dbraw/zinc/10/75/71/184107571.db2.gz YICSMJKGAVOABD-GFCCVEGCSA-N 0 0 316.426 3.687 50 0 DHAARN O=C(NCC1CCC1)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000058357817 184109064 /nfs/dbraw/zinc/10/90/64/184109064.db2.gz MARLLYUMRNFVSF-UHFFFAOYSA-N 0 0 323.440 3.671 50 0 DHAARN O=C(c1ccc2c(c1)OCO2)N(Cc1ccco1)C1CCCC1 ZINC000058377822 184109978 /nfs/dbraw/zinc/10/99/78/184109978.db2.gz XGHPPJXHFWYVAQ-UHFFFAOYSA-N 0 0 313.353 3.593 50 0 DHAARN O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccc(F)cc1 ZINC000058264311 184095214 /nfs/dbraw/zinc/09/52/14/184095214.db2.gz UACUTLDPPAHFEY-KRWDZBQOSA-N 0 0 307.324 3.673 50 0 DHAARN CN(Cc1ccccc1NC(=O)C1CCC1)C(=O)OC(C)(C)C ZINC000058292015 184101291 /nfs/dbraw/zinc/10/12/91/184101291.db2.gz APJFLTVEPCVJIX-UHFFFAOYSA-N 0 0 318.417 3.792 50 0 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COc1ccc(NC(C)=O)cc1N[C@H](C)c1ccc(F)cc1 ZINC000007370393 333004049 /nfs/dbraw/zinc/00/40/49/333004049.db2.gz RPDWSVPOJCINBO-LLVKDONJSA-N 0 0 302.349 3.966 50 0 DHAARN FC(F)(F)c1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000185505304 333370238 /nfs/dbraw/zinc/37/02/38/333370238.db2.gz DWTXRYIDNOPGMX-STQMWFEESA-N 0 0 323.318 3.828 50 0 DHAARN Cc1nc(C)c(C(=O)N[C@H](CC(C)(C)C)c2cccnc2)o1 ZINC000534574424 334287656 /nfs/dbraw/zinc/28/76/56/334287656.db2.gz FOCAOJCPKGVRPF-CQSZACIVSA-N 0 0 301.390 3.594 50 0 DHAARN Cc1ccc(F)c(C(=O)NCc2cc(C(C)C)on2)c1Cl ZINC000534638450 334310184 /nfs/dbraw/zinc/31/01/84/334310184.db2.gz AHZXVPUSWCOVIK-UHFFFAOYSA-N 0 0 310.756 3.829 50 0 DHAARN CCCC[C@H](NC(=O)CNc1ccc(F)cc1)c1cccnc1 ZINC000534653239 334312836 /nfs/dbraw/zinc/31/28/36/334312836.db2.gz FQBTUUCQDIDHGY-KRWDZBQOSA-N 0 0 315.392 3.680 50 0 DHAARN COCC(C)(C)NC(=O)N(Cc1ccc(SC)cc1)C1CC1 ZINC000534657435 334314418 /nfs/dbraw/zinc/31/44/18/334314418.db2.gz VOAMWXNHJUJRQV-UHFFFAOYSA-N 0 0 322.474 3.508 50 0 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COc1ccc(CCNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000137660 563222934 /nfs/dbraw/zinc/22/29/34/563222934.db2.gz YUBVSFRXSCPESP-UHFFFAOYSA-N 0 0 304.777 3.713 50 0 DHAARN CCOC(=O)c1c2c(sc1NC(=O)C1CCCCC1)CCC2 ZINC000000313943 563240343 /nfs/dbraw/zinc/24/03/43/563240343.db2.gz NJRPGIPTMJWZQV-UHFFFAOYSA-N 0 0 321.442 3.932 50 0 DHAARN COCc1ccc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)cc1 ZINC000071907523 563332418 /nfs/dbraw/zinc/33/24/18/563332418.db2.gz UMFWIBQLHHWHTR-GFCCVEGCSA-N 0 0 317.351 3.882 50 0 DHAARN CCOC(=O)Cc1csc(SCc2ccccc2F)n1 ZINC000032954360 563428850 /nfs/dbraw/zinc/42/88/50/563428850.db2.gz YBWMMSVHFSZCPM-UHFFFAOYSA-N 0 0 311.403 3.680 50 0 DHAARN CCC(CC)n1nc(C)cc1NC(=O)Cc1ccc(Cl)nc1 ZINC000055271128 563473391 /nfs/dbraw/zinc/47/33/91/563473391.db2.gz HOWMDRQDEUQCKY-UHFFFAOYSA-N 0 0 320.824 3.782 50 0 DHAARN C[C@H](c1nnc(-c2cccs2)o1)n1ccc(C(F)(F)F)n1 ZINC000096448238 563482955 /nfs/dbraw/zinc/48/29/55/563482955.db2.gz IPNLTKGHFBAUBU-SSDOTTSWSA-N 0 0 314.292 3.623 50 0 DHAARN 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Cc1nnc2n1N=C(c1ccc(CC(C)C)cc1)[C@H](C)S2 ZINC000000081459 563214460 /nfs/dbraw/zinc/21/44/60/563214460.db2.gz NQJJTFZGHJXEJH-NSHDSACASA-N 0 0 300.431 3.532 50 0 DHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1 ZINC000000080775 563214492 /nfs/dbraw/zinc/21/44/92/563214492.db2.gz ZYDFDUCKVZYMRC-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN COc1ccc(NC[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000000096682 563216350 /nfs/dbraw/zinc/21/63/50/563216350.db2.gz OOWIWNWBSUGIHK-QGZVFWFLSA-N 0 0 324.424 3.740 50 0 DHAARN COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000000101578 563216780 /nfs/dbraw/zinc/21/67/80/563216780.db2.gz SIPODWDZCYJAAW-UHFFFAOYSA-N 0 0 309.409 3.790 50 0 biogenic DHAARN O=C(CSc1nc2ccccc2o1)N1CCc2ccccc21 ZINC000000104847 563217416 /nfs/dbraw/zinc/21/74/16/563217416.db2.gz OIEJQAUQQUROJN-UHFFFAOYSA-N 0 0 310.378 3.509 50 0 DHAARN Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000000105050 563218187 /nfs/dbraw/zinc/21/81/87/563218187.db2.gz VDCMWDOBSXTIDG-UHFFFAOYSA-N 0 0 320.801 3.544 50 0 DHAARN CCOC(=O)c1sc2ncnc(N3CCCC[C@H]3C)c2c1C ZINC000000109832 563218690 /nfs/dbraw/zinc/21/86/90/563218690.db2.gz JRSVZNGGQVTBBP-SNVBAGLBSA-N 0 0 319.430 3.555 50 0 DHAARN Nc1c2cc3c(nc2sc1C(=O)c1ccccc1)CCCC3 ZINC000000115181 563219199 /nfs/dbraw/zinc/21/91/99/563219199.db2.gz WPHKBAUMBCUANR-UHFFFAOYSA-N 0 0 308.406 3.988 50 0 DHAARN O=C(Cc1cc(F)cc(F)c1)n1nccc1-c1cccs1 ZINC000000112794 563219220 /nfs/dbraw/zinc/21/92/20/563219220.db2.gz NWZQAKPCBOJJMA-UHFFFAOYSA-N 0 0 304.321 3.773 50 0 DHAARN CCOC(=O)c1noc(C)c1-c1csc(-c2ccccc2)n1 ZINC000000122401 563220511 /nfs/dbraw/zinc/22/05/11/563220511.db2.gz WNUQKUKQHGJSLK-UHFFFAOYSA-N 0 0 314.366 3.950 50 0 DHAARN Cc1cc(-c2onc(C)c2C(=O)Oc2ccc(Cl)cc2)no1 ZINC000000122284 563220623 /nfs/dbraw/zinc/22/06/23/563220623.db2.gz OBFPSPSVYYPCPP-UHFFFAOYSA-N 0 0 318.716 3.819 50 0 DHAARN NC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000125196 563221094 /nfs/dbraw/zinc/22/10/94/563221094.db2.gz DWVBVKUOHDKNQO-UHFFFAOYSA-N 0 0 316.360 3.705 50 0 DHAARN Cc1n[nH]c(=O)c2noc(C=Cc3ccc(Cl)c(Cl)c3)c21 ZINC000000132222 563221672 /nfs/dbraw/zinc/22/16/72/563221672.db2.gz YWRQIMZRJTYUGS-HWKANZROSA-N 0 0 322.151 3.697 50 0 DHAARN Fc1cc(CSc2nc3ccccc3[nH]2)c2c(c1)COCO2 ZINC000000140572 563223242 /nfs/dbraw/zinc/22/32/42/563223242.db2.gz ZODSUXFANYASCP-UHFFFAOYSA-N 0 0 316.357 3.861 50 0 DHAARN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc(C)c1F ZINC000000140447 563223364 /nfs/dbraw/zinc/22/33/64/563223364.db2.gz IPPBUBSQJNKNJG-UHFFFAOYSA-N 0 0 315.316 3.522 50 0 DHAARN COC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 ZINC000000149987 563224575 /nfs/dbraw/zinc/22/45/75/563224575.db2.gz GPVOSRWCXYBDCC-UHFFFAOYSA-N 0 0 317.288 3.772 50 0 DHAARN COc1ccc(C(=O)OCc2ccccc2Cl)cc1OC ZINC000000149198 563224691 /nfs/dbraw/zinc/22/46/91/563224691.db2.gz LSUXWTGBNDDMBH-UHFFFAOYSA-N 0 0 306.745 3.714 50 0 DHAARN O=c1c(Cl)c(Cl)cnn1-c1cc(Cl)cc(Cl)c1 ZINC000000153126 563225153 /nfs/dbraw/zinc/22/51/53/563225153.db2.gz UBKUOBNFCOTJAD-UHFFFAOYSA-N 0 0 309.967 3.846 50 0 DHAARN FC(F)(F)c1ccc(C2N=NC(=S)N2c2cccnc2)cc1 ZINC000000158380 563225847 /nfs/dbraw/zinc/22/58/47/563225847.db2.gz LUXZCUDKXBXQOY-UHFFFAOYSA-N 0 0 322.315 3.637 50 0 DHAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccnc2)cc1 ZINC000000183531 563228489 /nfs/dbraw/zinc/22/84/89/563228489.db2.gz WDLCZNMICHPINJ-UHFFFAOYSA-N 0 0 313.360 3.756 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c(C)c1 ZINC000000183407 563228519 /nfs/dbraw/zinc/22/85/19/563228519.db2.gz HANSYHXUYSIMIX-UHFFFAOYSA-N 0 0 311.353 3.691 50 0 DHAARN O=C(Nc1nnc(-c2cccs2)s1)c1ccc(F)cc1 ZINC000000178724 563228693 /nfs/dbraw/zinc/22/86/93/563228693.db2.gz SRQNCEADDRARJL-UHFFFAOYSA-N 0 0 305.359 3.658 50 0 DHAARN O=C1c2ccccc2C(=O)N1CNc1cccc(Cl)c1Cl ZINC000000194255 563229797 /nfs/dbraw/zinc/22/97/97/563229797.db2.gz CGZPRSUCILHIDQ-UHFFFAOYSA-N 0 0 321.163 3.659 50 0 DHAARN Cc1ccccc1NC(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000000207976 563230117 /nfs/dbraw/zinc/23/01/17/563230117.db2.gz OMGLOZAUOBIRNL-UHFFFAOYSA-N 0 0 322.286 3.748 50 0 DHAARN COc1ccccc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000000211861 563230762 /nfs/dbraw/zinc/23/07/62/563230762.db2.gz JIJHXIZEVCVPCP-UHFFFAOYSA-N 0 0 310.397 3.938 50 0 DHAARN Nc1ccc(-c2nc3cc(N)ccc3n2-c2ccccc2)cc1 ZINC000000236214 563232258 /nfs/dbraw/zinc/23/22/58/563232258.db2.gz YLDYPROJXAWFSB-UHFFFAOYSA-N 0 0 300.365 3.857 50 0 DHAARN COc1ccc([C@@H]2S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000000248575 563233359 /nfs/dbraw/zinc/23/33/59/563233359.db2.gz YNFSHAWIKOYAHW-UGSOOPFHSA-N 0 0 313.422 3.858 50 0 DHAARN Nc1ccc(Br)cc1[C@H](O)c1ccc(Cl)cc1 ZINC000000265654 563234610 /nfs/dbraw/zinc/23/46/10/563234610.db2.gz XVNKLNAILNKVOF-CYBMUJFWSA-N 0 0 312.594 3.766 50 0 DHAARN CCOc1ccc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000000261250 563234710 /nfs/dbraw/zinc/23/47/10/563234710.db2.gz SCYNSNREGRUGKA-KSSFIOAISA-N 0 0 323.392 3.769 50 0 DHAARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000270023 563234852 /nfs/dbraw/zinc/23/48/52/563234852.db2.gz SGEQUGSYPBOMNJ-UHFFFAOYSA-N 0 0 315.369 3.909 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000000271943 563235416 /nfs/dbraw/zinc/23/54/16/563235416.db2.gz BGZVMASYWVHKFC-UHFFFAOYSA-N 0 0 315.804 3.694 50 0 DHAARN c1ccc(Cc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000000283473 563235967 /nfs/dbraw/zinc/23/59/67/563235967.db2.gz FUGSTHVPWONQQP-UHFFFAOYSA-N 0 0 320.421 3.809 50 0 DHAARN CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(C)=O ZINC000000295487 563237444 /nfs/dbraw/zinc/23/74/44/563237444.db2.gz VLXWNKLNMDQYBE-UHFFFAOYSA-N 0 0 319.382 3.559 50 0 DHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCc2ccccc2C1 ZINC000000318779 563240748 /nfs/dbraw/zinc/24/07/48/563240748.db2.gz YKYRSCGKTATARM-UHFFFAOYSA-N 0 0 323.417 3.587 50 0 DHAARN O=C(Nc1cccc(NC(=O)c2ccccc2F)c1)c1ccco1 ZINC000000317053 563240827 /nfs/dbraw/zinc/24/08/27/563240827.db2.gz SYBPNZMKTBHHFE-UHFFFAOYSA-N 0 0 324.311 3.923 50 0 DHAARN O=C(c1ccccc1)[C@@](O)(c1ccccc1)[C@@H]1CCCCC1=O ZINC000000330257 563241492 /nfs/dbraw/zinc/24/14/92/563241492.db2.gz PXBWAWRNLQTXPA-YLJYHZDGSA-N 0 0 308.377 3.516 50 0 DHAARN Cc1cc(NCc2ccccc2)cc(=O)n1Cc1ccccc1 ZINC000000339694 563242121 /nfs/dbraw/zinc/24/21/21/563242121.db2.gz YZKBIPNXNSXQKV-UHFFFAOYSA-N 0 0 304.393 3.817 50 0 DHAARN O=c1oc(-c2ccccc2F)nc2sc3c(c21)CCCC3 ZINC000000349874 563243371 /nfs/dbraw/zinc/24/33/71/563243371.db2.gz HDQZJWISFBAGPN-UHFFFAOYSA-N 0 0 301.342 3.934 50 0 DHAARN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000361700 563244839 /nfs/dbraw/zinc/24/48/39/563244839.db2.gz RNPDZNZTNMSCCH-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccco1 ZINC000000364642 563245334 /nfs/dbraw/zinc/24/53/34/563245334.db2.gz XHAOXRCWPDCTCA-QCDXTXTGSA-N 0 0 309.655 3.556 50 0 DHAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccoc1C ZINC000000369181 563246461 /nfs/dbraw/zinc/24/64/61/563246461.db2.gz LPZRVPXYTJOYCW-UHFFFAOYSA-N 0 0 321.398 3.949 50 0 DHAARN COC(=O)c1cccc(COc2ccccc2Br)c1 ZINC000000373746 563247180 /nfs/dbraw/zinc/24/71/80/563247180.db2.gz KOQYVQHGLIZAKF-UHFFFAOYSA-N 0 0 321.170 3.815 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(F)c(F)cc1Cl ZINC000000381816 563247705 /nfs/dbraw/zinc/24/77/05/563247705.db2.gz YTIKCZMHUZRQRJ-UHFFFAOYSA-N 0 0 311.671 3.599 50 0 DHAARN Cc1c(C(=O)N(C)c2cccc(C)c2)cnn1-c1ccccc1 ZINC000000385354 563248535 /nfs/dbraw/zinc/24/85/35/563248535.db2.gz ALGASVRZQCYQQI-UHFFFAOYSA-N 0 0 305.381 3.766 50 0 DHAARN Cc1ccc(-c2nn3c(nnc3-c3cccc(F)c3)s2)cc1 ZINC000000385555 563248588 /nfs/dbraw/zinc/24/85/88/563248588.db2.gz XWCQFWZZTISEND-UHFFFAOYSA-N 0 0 310.357 3.967 50 0 DHAARN CCCc1nn(C)c(C(=O)Nc2ccc(CC)cc2)c1Cl ZINC000000385528 563248849 /nfs/dbraw/zinc/24/88/49/563248849.db2.gz FGLIWKXAMGQGPJ-UHFFFAOYSA-N 0 0 305.809 3.841 50 0 DHAARN Cc1ccc(-c2nnc3sc(Cc4ccc(F)cc4)nn32)cc1 ZINC000000384987 563248853 /nfs/dbraw/zinc/24/88/53/563248853.db2.gz DJEVOCJREJTSLC-UHFFFAOYSA-N 0 0 324.384 3.891 50 0 DHAARN C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000000397268 563250514 /nfs/dbraw/zinc/25/05/14/563250514.db2.gz FQBNCZFHMJMLHD-IUCAKERBSA-N 0 0 303.189 3.635 50 0 DHAARN Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)cc1 ZINC000000407837 563252273 /nfs/dbraw/zinc/25/22/73/563252273.db2.gz WVLCOPWKNXKUDI-IAGOWNOFSA-N 0 0 308.360 3.872 50 0 DHAARN Cn1c(SCc2ccccc2Cl)nnc1-c1ccncc1 ZINC000000422627 563252634 /nfs/dbraw/zinc/25/26/34/563252634.db2.gz MLPVAVJJVURCOS-UHFFFAOYSA-N 0 0 316.817 3.823 50 0 DHAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccncc1 ZINC000000422628 563252717 /nfs/dbraw/zinc/25/27/17/563252717.db2.gz UBYXQPWFPYCJDA-UHFFFAOYSA-N 0 0 316.817 3.823 50 0 DHAARN Nc1ccc(Br)cc1[C@@H](O)c1ccccc1Cl ZINC000000432903 563253260 /nfs/dbraw/zinc/25/32/60/563253260.db2.gz ZUXDXWPXEXSRSL-ZDUSSCGKSA-N 0 0 312.594 3.766 50 0 DHAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000000436044 563254008 /nfs/dbraw/zinc/25/40/08/563254008.db2.gz UPARRUJJALUIFK-UHFFFAOYSA-N 0 0 303.745 3.804 50 0 DHAARN COC(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000000441205 563254056 /nfs/dbraw/zinc/25/40/56/563254056.db2.gz UUKVSILUTMSRBM-UHFFFAOYSA-N 0 0 319.360 3.808 50 0 DHAARN Cc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000000442955 563254638 /nfs/dbraw/zinc/25/46/38/563254638.db2.gz ABSKKWMKTQNKRJ-UHFFFAOYSA-N 0 0 304.802 3.775 50 0 DHAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2nsnc21 ZINC000000443556 563255055 /nfs/dbraw/zinc/25/50/55/563255055.db2.gz CFIAKIMIAVJIRF-RMKNXTFCSA-N 0 0 315.785 3.997 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000000444224 563255127 /nfs/dbraw/zinc/25/51/27/563255127.db2.gz LSKYGOUULKOLKN-UHFFFAOYSA-N 0 0 308.150 3.518 50 0 DHAARN O=C(NC(=S)Nc1ccc(F)cc1)c1ccccc1Cl ZINC000000452713 563256662 /nfs/dbraw/zinc/25/66/62/563256662.db2.gz QZDIIQJCRQLYNU-UHFFFAOYSA-N 0 0 308.765 3.606 50 0 DHAARN CC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000000455399 563257458 /nfs/dbraw/zinc/25/74/58/563257458.db2.gz KJVRAULJGRDFNU-UHFFFAOYSA-N 0 0 303.745 3.560 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000000458540 563258513 /nfs/dbraw/zinc/25/85/13/563258513.db2.gz RGMPFHGRROZULX-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN O=C1c2cccnc2C(=O)N1c1ccccc1-c1ccccc1 ZINC000000462616 563259065 /nfs/dbraw/zinc/25/90/65/563259065.db2.gz OPXDJFHAXFVCDS-UHFFFAOYSA-N 0 0 300.317 3.549 50 0 DHAARN Cc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000000463204 563259129 /nfs/dbraw/zinc/25/91/29/563259129.db2.gz ONLBSLLORXXKEM-UHFFFAOYSA-N 0 0 304.187 3.939 50 0 DHAARN CCOc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 ZINC000000469431 563260023 /nfs/dbraw/zinc/26/00/23/563260023.db2.gz VSLSWBVAZZCISO-RBUKOAKNSA-N 0 0 315.413 3.809 50 0 DHAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(Cl)s1 ZINC000000470898 563260699 /nfs/dbraw/zinc/26/06/99/563260699.db2.gz RYVOIOWOALLMTL-UHFFFAOYSA-N 0 0 308.211 3.856 50 0 DHAARN CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000477011 563262253 /nfs/dbraw/zinc/26/22/53/563262253.db2.gz OTMSRPNZUAYNHX-GOSISDBHSA-N 0 0 323.392 3.521 50 0 DHAARN S=C(NC1CCCCC1)N1CC=C(c2ccccc2)CC1 ZINC000000477346 563262382 /nfs/dbraw/zinc/26/23/82/563262382.db2.gz MAYPUCLUVZKPCG-UHFFFAOYSA-N 0 0 300.471 3.983 50 0 DHAARN C[C@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000000476498 563262461 /nfs/dbraw/zinc/26/24/61/563262461.db2.gz CSZZHDFJKDLWPK-PMDBQALLSA-N 0 0 308.219 3.863 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)NCCc1cccc(Cl)c1 ZINC000000476830 563262465 /nfs/dbraw/zinc/26/24/65/563262465.db2.gz GHNSSIXMRUTWGH-QGZVFWFLSA-N 0 0 317.816 3.856 50 0 DHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000000516948 563264085 /nfs/dbraw/zinc/26/40/85/563264085.db2.gz BTYXCFBPMVESNR-UHFFFAOYSA-N 0 0 305.399 3.503 50 0 DHAARN CCc1sc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1C ZINC000000522014 563264242 /nfs/dbraw/zinc/26/42/42/563264242.db2.gz ACXAKVUCXZQBHU-UHFFFAOYSA-N 0 0 302.424 3.981 50 0 DHAARN Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000000525309 563264766 /nfs/dbraw/zinc/26/47/66/563264766.db2.gz MYAGDXNNGUISLQ-UHFFFAOYSA-N 0 0 302.374 3.569 50 0 DHAARN Clc1ccc(-c2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000000529769 563264853 /nfs/dbraw/zinc/26/48/53/563264853.db2.gz FWJXZMUAIIBDCB-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN Cc1cccc(-c2nnc3sc(COc4ccccc4)nn32)c1 ZINC000000532962 563265198 /nfs/dbraw/zinc/26/51/98/563265198.db2.gz VYAJQEYSUPSPNI-UHFFFAOYSA-N 0 0 322.393 3.740 50 0 DHAARN Cc1ccc(-c2nnc(N(C)C(=O)Cc3ccccc3)s2)cc1 ZINC000000548894 563265504 /nfs/dbraw/zinc/26/55/04/563265504.db2.gz FBGLPTPAVNJSKT-UHFFFAOYSA-N 0 0 323.421 3.719 50 0 DHAARN CCOc1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000000531490 563265621 /nfs/dbraw/zinc/26/56/21/563265621.db2.gz MWTMWKBMCCWSOU-UHFFFAOYSA-N 0 0 322.393 3.919 50 0 DHAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000555025 563266036 /nfs/dbraw/zinc/26/60/36/563266036.db2.gz GZQIJMCSHSCYAK-LBPRGKRZSA-N 0 0 315.394 3.843 50 0 DHAARN CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000000557982 563266540 /nfs/dbraw/zinc/26/65/40/563266540.db2.gz XYPHNXSQJDHNJO-UHFFFAOYSA-N 0 0 300.324 3.900 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccc(Br)c(C)n1 ZINC000000561768 563266626 /nfs/dbraw/zinc/26/66/26/563266626.db2.gz HGYFOSCYHIIABG-UHFFFAOYSA-N 0 0 305.175 3.713 50 0 DHAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000000568366 563267299 /nfs/dbraw/zinc/26/72/99/563267299.db2.gz NWQOMKYUGTVFSP-UHFFFAOYSA-N 0 0 309.243 3.686 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000569596 563267307 /nfs/dbraw/zinc/26/73/07/563267307.db2.gz MNLRGZYQQAIPIV-UHFFFAOYSA-N 0 0 302.761 3.941 50 0 DHAARN CCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000000571993 563267785 /nfs/dbraw/zinc/26/77/85/563267785.db2.gz OUGHJGVTNBVBMR-UHFFFAOYSA-N 0 0 314.776 3.813 50 0 DHAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccnc1 ZINC000000608388 563268072 /nfs/dbraw/zinc/26/80/72/563268072.db2.gz NJPDUBIIOQUOPO-UHFFFAOYSA-N 0 0 322.364 3.724 50 0 DHAARN O=Cc1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 ZINC000000581677 563268335 /nfs/dbraw/zinc/26/83/35/563268335.db2.gz ISXINRAWZWCOGW-UHFFFAOYSA-N 0 0 312.756 3.746 50 0 DHAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCO2 ZINC000000587098 563268354 /nfs/dbraw/zinc/26/83/54/563268354.db2.gz AZRJESBSCZGCCW-UHFFFAOYSA-N 0 0 324.380 3.658 50 0 DHAARN COc1ccc(C)cc1N1C(=S)N=NC1c1ccccc1F ZINC000000610416 563268779 /nfs/dbraw/zinc/26/87/79/563268779.db2.gz LMGUCQYNAIQAHN-UHFFFAOYSA-N 0 0 315.373 3.679 50 0 DHAARN Cc1nc(N)sc1-c1csc(N(C)c2ccc(O)cc2)n1 ZINC000000613684 563269382 /nfs/dbraw/zinc/26/93/82/563269382.db2.gz NKKLOKNOTRLEMO-UHFFFAOYSA-N 0 0 318.427 3.631 50 0 aggregator DHAARN COc1cc(NC(=O)c2cc(Cl)ccc2OC)cc(OC)c1 ZINC000000617465 563269956 /nfs/dbraw/zinc/26/99/56/563269956.db2.gz GOIVCKVLIWWVBG-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1 ZINC000000614939 563270152 /nfs/dbraw/zinc/27/01/52/563270152.db2.gz BPKBIZIKUJPWKX-UHFFFAOYSA-N 0 0 314.385 3.584 50 0 DHAARN CC(=O)c1cn(CC(=O)N[C@H](C)c2ccccc2)c2ccccc12 ZINC000000614797 563270203 /nfs/dbraw/zinc/27/02/03/563270203.db2.gz SPURGWXPHOCSSY-CQSZACIVSA-N 0 0 320.392 3.721 50 0 DHAARN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(F)ccc1C ZINC000000618831 563270553 /nfs/dbraw/zinc/27/05/53/563270553.db2.gz CSYCGGVTSGQTHD-UHFFFAOYSA-N 0 0 324.355 3.848 50 0 DHAARN Cc1nn(C(=O)N(C)c2ccc(C)cc2)c(C)c1Br ZINC000000619539 563271062 /nfs/dbraw/zinc/27/10/62/563271062.db2.gz RESXRCVQPFTVMW-UHFFFAOYSA-N 0 0 322.206 3.675 50 0 DHAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000000619880 563271071 /nfs/dbraw/zinc/27/10/71/563271071.db2.gz XWPKVEBDBGOZLV-UHFFFAOYSA-N 0 0 300.333 3.673 50 0 DHAARN Cc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000000795353 563271993 /nfs/dbraw/zinc/27/19/93/563271993.db2.gz JKKFJVQOEGEDGA-UHFFFAOYSA-N 0 0 311.168 3.714 50 0 DHAARN CCOc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000000762938 563271873 /nfs/dbraw/zinc/27/18/73/563271873.db2.gz QNDDJVUGHABLOH-UHFFFAOYSA-N 0 0 307.357 3.758 50 0 DHAARN C[C@H](O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000001017196 563274455 /nfs/dbraw/zinc/27/44/55/563274455.db2.gz RAGJLMZHMNHLCN-JTQLQIEISA-N 0 0 320.186 3.755 50 0 DHAARN O=C(NCc1cccs1)c1ccc(Br)s1 ZINC000001053447 563275710 /nfs/dbraw/zinc/27/57/10/563275710.db2.gz PCVCLUQQQNPRCD-UHFFFAOYSA-N 0 0 302.218 3.502 50 0 DHAARN COc1ccc(CCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000001052383 563275872 /nfs/dbraw/zinc/27/58/72/563275872.db2.gz QXYAANGSEGSSNK-UHFFFAOYSA-N 0 0 316.426 3.602 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc2ccccc2oc1=O ZINC000001052231 563275912 /nfs/dbraw/zinc/27/59/12/563275912.db2.gz LRHVNEJHGBUAHD-UHFFFAOYSA-N 0 0 319.360 3.694 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)n1 ZINC000001052486 563275981 /nfs/dbraw/zinc/27/59/81/563275981.db2.gz SKKLWEQZOURJNE-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN COc1ccc(C(=O)OCc2ccccc2)cc1Br ZINC000001070940 563277244 /nfs/dbraw/zinc/27/72/44/563277244.db2.gz YFVUQAXLCAKVFB-UHFFFAOYSA-N 0 0 321.170 3.815 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000071883223 563277762 /nfs/dbraw/zinc/27/77/62/563277762.db2.gz QLTRDALDXSGYME-UHFFFAOYSA-N 0 0 324.384 3.561 50 0 DHAARN Cc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1C ZINC000001200148 563279371 /nfs/dbraw/zinc/27/93/71/563279371.db2.gz MQBWKOQCAAJIEX-UHFFFAOYSA-N 0 0 300.446 3.532 50 0 DHAARN COc1ccc(-c2csc(CC3=NC(=O)CS3)n2)cc1 ZINC000001395291 563282125 /nfs/dbraw/zinc/28/21/25/563282125.db2.gz DEWUTGDSFKAZLQ-UHFFFAOYSA-N 0 0 304.396 3.572 50 0 DHAARN Cc1nc([C@H](C)NC(=O)N[C@H]2CCc3ccc(F)cc32)cs1 ZINC000071886662 563282661 /nfs/dbraw/zinc/28/26/61/563282661.db2.gz MANMHWQHRAOYCO-XPTSAGLGSA-N 0 0 319.405 3.638 50 0 DHAARN Cc1ccccc1NC(=O)CSCc1nc2ccccc2[nH]1 ZINC000001425934 563283601 /nfs/dbraw/zinc/28/36/01/563283601.db2.gz OMDYKVFZFNQEAN-UHFFFAOYSA-N 0 0 311.410 3.743 50 0 DHAARN Cc1c(NC(=O)C[C@@H]2CCCc3ccccc32)cccc1C(N)=O ZINC000071888042 563284045 /nfs/dbraw/zinc/28/40/45/563284045.db2.gz LYLBOWLQZHBMAX-HNNXBMFYSA-N 0 0 322.408 3.543 50 0 DHAARN CC(=O)N1CCC(Nc2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000001501417 563284770 /nfs/dbraw/zinc/28/47/70/563284770.db2.gz KIRHZTHZQUOTKI-UHFFFAOYSA-N 0 0 313.445 3.888 50 0 DHAARN CCN(C[C@H]1CCOC1)C(=O)c1cccc(OC2CCCC2)c1 ZINC000071889019 563294541 /nfs/dbraw/zinc/29/45/41/563294541.db2.gz IRUCQMSQFTUZNX-OAHLLOKOSA-N 0 0 317.429 3.507 50 0 DHAARN CCCOc1ccc(/C=C/C(=O)NC2CCCCC2)cc1OC ZINC000001893634 563297022 /nfs/dbraw/zinc/29/70/22/563297022.db2.gz XTWCXGBDUZYTIA-ZRDIBKRKSA-N 0 0 317.429 3.946 50 0 DHAARN Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000002215471 563302334 /nfs/dbraw/zinc/30/23/34/563302334.db2.gz SKMFCLYSWBOJIY-UHFFFAOYSA-N 0 0 322.393 3.590 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2o1 ZINC000002325114 563303149 /nfs/dbraw/zinc/30/31/49/563303149.db2.gz VHSCCUYHIAWNPT-GFCCVEGCSA-N 0 0 324.405 3.898 50 0 DHAARN O=C1N[C@@H](c2ccccc2F)Nc2sc3c(c21)CCCC3 ZINC000002475845 563303570 /nfs/dbraw/zinc/30/35/70/563303570.db2.gz CHQRPBMZELJAIE-CQSZACIVSA-N 0 0 302.374 3.620 50 0 DHAARN O=C(c1ccc(CN2CCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000002514628 563305155 /nfs/dbraw/zinc/30/51/55/563305155.db2.gz VNCSTXNDYDISLN-UHFFFAOYSA-N 0 0 303.764 3.916 50 0 DHAARN O=C(c1ccc(CN2CCSCC2)cc1)C1CCCCC1 ZINC000002514819 563305376 /nfs/dbraw/zinc/30/53/76/563305376.db2.gz FNYRLOFGBBVSAO-UHFFFAOYSA-N 0 0 303.471 3.998 50 0 DHAARN CCOC(=O)c1ccccc1C(=O)CCc1ccccc1OC ZINC000002516450 563306734 /nfs/dbraw/zinc/30/67/34/563306734.db2.gz LLJOVRCTGIFDQJ-UHFFFAOYSA-N 0 0 312.365 3.687 50 0 DHAARN CCOC(=O)c1cccc(C(=O)CCc2cccc(OC)c2)c1 ZINC000002516501 563306865 /nfs/dbraw/zinc/30/68/65/563306865.db2.gz DXVRKXICWYKHGE-UHFFFAOYSA-N 0 0 312.365 3.687 50 0 DHAARN Cc1cccc(C(=O)c2cnn(-c3cccc(Cl)c3)c2N)c1 ZINC000002522164 563307875 /nfs/dbraw/zinc/30/78/75/563307875.db2.gz MVLJXPSDSAZBHG-UHFFFAOYSA-N 0 0 311.772 3.647 50 0 DHAARN CC(C)(C)n1nc(-c2cccc3ccccc32)c2c1ncnc2N ZINC000002576349 563309821 /nfs/dbraw/zinc/30/98/21/563309821.db2.gz XSHQBIXMLULFEV-UHFFFAOYSA-N 0 0 317.396 3.984 50 0 in-vitro DHAARN COc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000002591030 563310421 /nfs/dbraw/zinc/31/04/21/563310421.db2.gz HCSQOCQSLRYMCE-UHFFFAOYSA-N 0 0 302.330 3.696 50 0 DHAARN O=C(c1ccccc1)[C@@H](c1ccccc1)n1nnc2ccccc21 ZINC000002762284 563312679 /nfs/dbraw/zinc/31/26/79/563312679.db2.gz DVVYSUCBMDZKKF-LJQANCHMSA-N 0 0 313.360 3.904 50 0 DHAARN CCOc1cc(C=O)cc(Br)c1OC1CCCC1 ZINC000002770932 563312932 /nfs/dbraw/zinc/31/29/32/563312932.db2.gz KHJKTRLXSAWVTI-UHFFFAOYSA-N 0 0 313.191 3.982 50 0 DHAARN COc1ccccc1/C=C/C(=O)NCCSC1CCCCC1 ZINC000002816741 563313914 /nfs/dbraw/zinc/31/39/14/563313914.db2.gz LOSSAVCGVRKODP-VAWYXSNFSA-N 0 0 319.470 3.891 50 0 DHAARN COC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1C ZINC000002868705 563315743 /nfs/dbraw/zinc/31/57/43/563315743.db2.gz HZPRKOPWEGPEJT-UHFFFAOYSA-N 0 0 317.772 3.616 50 0 DHAARN O=Cc1ccc(OCCOC(=O)Nc2cccc(Cl)c2)cc1 ZINC000002983256 563318970 /nfs/dbraw/zinc/31/89/70/563318970.db2.gz OYPNSVZBNXDSCF-UHFFFAOYSA-N 0 0 319.744 3.780 50 0 DHAARN CCOc1ccc(OCCCOc2cccc(OC)c2)cc1 ZINC000002984783 563319221 /nfs/dbraw/zinc/31/92/21/563319221.db2.gz IKCHZJVKOKPVRM-UHFFFAOYSA-N 0 0 302.370 3.942 50 0 DHAARN Cc1ccccc1CSCC(=O)NCCSC(C)(C)C ZINC000002992766 563320040 /nfs/dbraw/zinc/32/00/40/563320040.db2.gz NNPFNWWZOGKRGX-UHFFFAOYSA-N 0 0 311.516 3.876 50 0 DHAARN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000003064290 563321349 /nfs/dbraw/zinc/32/13/49/563321349.db2.gz MAHDJSVPOKRTDT-UHFFFAOYSA-N 0 0 319.282 3.743 50 0 DHAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000003093777 563321841 /nfs/dbraw/zinc/32/18/41/563321841.db2.gz QWFZHMXCPAKOCU-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000003100474 563321861 /nfs/dbraw/zinc/32/18/61/563321861.db2.gz SAYTUDPIINRNJW-QWRGUYRKSA-N 0 0 316.228 3.877 50 0 DHAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1cccc(C)c1 ZINC000003141012 563322240 /nfs/dbraw/zinc/32/22/40/563322240.db2.gz CDQLFYQEHOTRNO-MRXNPFEDSA-N 0 0 324.424 3.737 50 0 DHAARN O=C(Cc1cccc2ccccc21)NCCOc1ccccc1F ZINC000003127118 563322541 /nfs/dbraw/zinc/32/25/41/563322541.db2.gz KSGXHNOIBIMFGO-UHFFFAOYSA-N 0 0 323.367 3.717 50 0 DHAARN CCOc1ccc(N2C(=S)N=NC2c2cccc(C)c2)cc1 ZINC000003259281 563323915 /nfs/dbraw/zinc/32/39/15/563323915.db2.gz MHXIJOYMFKMBSI-UHFFFAOYSA-N 0 0 311.410 3.930 50 0 DHAARN COc1cccc(OCc2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000034906888 563324539 /nfs/dbraw/zinc/32/45/39/563324539.db2.gz SUQBFXTZNQCXKH-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN Cc1cccc([C@H]2CCc3nc(C(=O)N4CCCCC4)cn3C2)c1 ZINC000034898623 563325001 /nfs/dbraw/zinc/32/50/01/563325001.db2.gz MNBBYEHBUXYDJC-KRWDZBQOSA-N 0 0 323.440 3.548 50 0 DHAARN CCOC[C@@H]1CCCN(C(=O)NCC[C@@H](C)c2ccccc2)C1 ZINC000071905350 563331861 /nfs/dbraw/zinc/33/18/61/563331861.db2.gz WBDBYFBNMKGTKQ-IAGOWNOFSA-N 0 0 318.461 3.638 50 0 DHAARN Cc1ccc2cc(C)c(N3CCN(c4ccccn4)CC3)nc2c1 ZINC000006456116 563332440 /nfs/dbraw/zinc/33/24/40/563332440.db2.gz LYTRGAWLJLRTGI-UHFFFAOYSA-N 0 0 318.424 3.573 50 0 DHAARN CC(=O)N(c1nc(CSc2ccc(C)cn2)cs1)C1CC1 ZINC000071907982 563332780 /nfs/dbraw/zinc/33/27/80/563332780.db2.gz GKEHUFZHXULUIS-UHFFFAOYSA-N 0 0 319.455 3.654 50 0 DHAARN Cc1ccc([C@@H]2CSCCN2Cc2noc(C3CC3)n2)cc1 ZINC000071909418 563333083 /nfs/dbraw/zinc/33/30/83/563333083.db2.gz IBGIGYASTYELCR-HNNXBMFYSA-N 0 0 315.442 3.546 50 0 DHAARN Cc1ccc(O)c(NC(=O)c2cc(-c3ccccc3F)no2)c1 ZINC000006872732 563334813 /nfs/dbraw/zinc/33/48/13/563334813.db2.gz JBTHYWSTKGJLTI-UHFFFAOYSA-N 0 0 312.300 3.747 50 0 DHAARN O=S(=O)(Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000007402283 563338582 /nfs/dbraw/zinc/33/85/82/563338582.db2.gz PXZCNRYZEBABTF-UHFFFAOYSA-N 0 0 319.279 3.645 50 0 DHAARN C[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(C(C)(C)C)no1 ZINC000071913924 563338823 /nfs/dbraw/zinc/33/88/23/563338823.db2.gz CUVDIGGJCNBFMF-JTQLQIEISA-N 0 0 314.345 3.557 50 0 DHAARN COc1ccccc1-c1cc(C(F)F)c2c(C)nn(C)c2n1 ZINC000002741073 563339968 /nfs/dbraw/zinc/33/99/68/563339968.db2.gz OOZNHQDFAVUQRP-UHFFFAOYSA-N 0 0 303.312 3.890 50 0 DHAARN Cc1cc(C)n(CCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000007616288 563340027 /nfs/dbraw/zinc/34/00/27/563340027.db2.gz GWSFKBZPGXJKJI-UHFFFAOYSA-N 0 0 312.200 3.836 50 0 DHAARN Cc1noc(C)c1CC(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000071914432 563340686 /nfs/dbraw/zinc/34/06/86/563340686.db2.gz DYPZOKBMIUFVGD-UHFFFAOYSA-N 0 0 316.405 3.634 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)NCCc1cccc(Cl)c1 ZINC000002742747 563341183 /nfs/dbraw/zinc/34/11/83/563341183.db2.gz UETPWCDDBAMBEA-UHFFFAOYSA-N 0 0 308.208 3.895 50 0 DHAARN O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccccc1 ZINC000002789217 563341843 /nfs/dbraw/zinc/34/18/43/563341843.db2.gz BFHPIDLXMLHENU-UHFFFAOYSA-N 0 0 308.208 3.895 50 0 DHAARN CCc1cccc(C)c1NC(=O)CN1CCc2ccccc2C1 ZINC000007782471 563342514 /nfs/dbraw/zinc/34/25/14/563342514.db2.gz SSGDZGBHSCOODD-UHFFFAOYSA-N 0 0 308.425 3.554 50 0 DHAARN COc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000007969492 563343083 /nfs/dbraw/zinc/34/30/83/563343083.db2.gz JMNPXAYCYPYFOU-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN Cc1cc(F)ccc1NC(=O)N[C@@H](CCCO)c1ccccc1 ZINC000071921086 563345323 /nfs/dbraw/zinc/34/53/23/563345323.db2.gz JXEOWYDMAPEFDW-KRWDZBQOSA-N 0 0 316.376 3.769 50 0 DHAARN CCCCCCc1nnc(NC(=O)c2ccc(OC)cc2)s1 ZINC000003016583 563346679 /nfs/dbraw/zinc/34/66/79/563346679.db2.gz RZSDXYFKSJKPHK-UHFFFAOYSA-N 0 0 319.430 3.922 50 0 DHAARN CCCc1nnc2sc(Cc3cccc4ccccc43)nn12 ZINC000008392242 563346762 /nfs/dbraw/zinc/34/67/62/563346762.db2.gz MCCDCGTZOFBJLY-UHFFFAOYSA-N 0 0 308.410 3.882 50 0 DHAARN CCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(C)c2C)cc1 ZINC000008714557 563349155 /nfs/dbraw/zinc/34/91/55/563349155.db2.gz TUJCEVXKMMLHKH-GFCCVEGCSA-N 0 0 315.417 3.797 50 0 DHAARN CCc1c(C(=O)Nc2ccc(CC)cc2)cnn1-c1ccccn1 ZINC000008715226 563349242 /nfs/dbraw/zinc/34/92/42/563349242.db2.gz NEXHXNQUTBCGJF-UHFFFAOYSA-N 0 0 320.396 3.644 50 0 DHAARN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)N1CCCCCC1 ZINC000008714298 563349348 /nfs/dbraw/zinc/34/93/48/563349348.db2.gz AXDJKMGTCBJZHE-UHFFFAOYSA-N 0 0 323.245 3.526 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2ccccc2OC(C)C)c1 ZINC000008722946 563349855 /nfs/dbraw/zinc/34/98/55/563349855.db2.gz JKYXLHYIIRSJKB-UHFFFAOYSA-N 0 0 315.369 3.743 50 0 DHAARN CC(C)n1ccnc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000008746284 563349980 /nfs/dbraw/zinc/34/99/80/563349980.db2.gz LOOBFWCOXOJVTQ-LBPRGKRZSA-N 0 0 321.421 3.573 50 0 DHAARN O=C(/C=C/c1cccc(Br)c1)NCc1ccccc1 ZINC000002534671 563350401 /nfs/dbraw/zinc/35/04/01/563350401.db2.gz XTRJTKIIAYKPRW-MDZDMXLPSA-N 0 0 316.198 3.779 50 0 DHAARN Cc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000009087653 563351350 /nfs/dbraw/zinc/35/13/50/563351350.db2.gz OQNKHPODKFJSCC-HNNXBMFYSA-N 0 0 303.365 3.859 50 0 DHAARN CC(C)C(=O)Nc1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000009196866 563352159 /nfs/dbraw/zinc/35/21/59/563352159.db2.gz CWGZLCMQLVQWNY-CQSZACIVSA-N 0 0 322.408 3.873 50 0 DHAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3s2)C1 ZINC000009189730 563352234 /nfs/dbraw/zinc/35/22/34/563352234.db2.gz LQSCJGZUZNBIFK-RYUDHWBXSA-N 0 0 320.483 3.893 50 0 DHAARN Nc1c2cccnc2sc1C(=O)Nc1cccc(Cl)c1 ZINC000009295561 563353166 /nfs/dbraw/zinc/35/31/66/563353166.db2.gz HMGDOIXYYKQMQD-UHFFFAOYSA-N 0 0 303.774 3.784 50 0 DHAARN Cc1cc(C)c2nc(Nc3nc(C(C)C)cc(=O)[nH]3)nc(C)c2c1 ZINC000010157401 563355211 /nfs/dbraw/zinc/35/52/11/563355211.db2.gz MTAREFSGHGWPSL-UHFFFAOYSA-N 0 0 323.400 3.505 50 0 DHAARN O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000010155732 563355576 /nfs/dbraw/zinc/35/55/76/563355576.db2.gz BYOVXDKOBPYNDN-OAHLLOKOSA-N 0 0 315.344 3.636 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000010296825 563355794 /nfs/dbraw/zinc/35/57/94/563355794.db2.gz ZKFNVZYYRKIFOE-GOSISDBHSA-N 0 0 311.381 3.805 50 0 DHAARN C[C@H](C[NH2+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000010475476 563357753 /nfs/dbraw/zinc/35/77/53/563357753.db2.gz DAESNESEXGFIAF-AUUYWEPGSA-N 0 0 322.408 3.557 50 0 DHAARN Cc1oc(-c2ccc(C)cc2)cc1C(=O)NCc1ccccn1 ZINC000011616002 563358380 /nfs/dbraw/zinc/35/83/80/563358380.db2.gz PTUYJGSIYMEUIE-UHFFFAOYSA-N 0 0 306.365 3.888 50 0 DHAARN Cc1cnnn1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000011689894 563359076 /nfs/dbraw/zinc/35/90/76/563359076.db2.gz IQHGPLZUJJDDBA-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN CCCCNC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000011955443 563360661 /nfs/dbraw/zinc/36/06/61/563360661.db2.gz JOZOYNXDKGJENN-QGZVFWFLSA-N 0 0 324.428 3.620 50 0 DHAARN CCc1c(C)nn(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1C ZINC000012138165 563362557 /nfs/dbraw/zinc/36/25/57/563362557.db2.gz HYKGGUWVAKMBNC-OAHLLOKOSA-N 0 0 300.402 3.787 50 0 DHAARN Cc1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c1 ZINC000012191774 563364060 /nfs/dbraw/zinc/36/40/60/563364060.db2.gz GJDZCAMYRFSXQG-SFHVURJKSA-N 0 0 312.388 3.851 50 0 DHAARN Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2)cn1 ZINC000012198386 563364232 /nfs/dbraw/zinc/36/42/32/563364232.db2.gz NGOUCOBJDLJZJQ-UHFFFAOYSA-N 0 0 319.364 3.507 50 0 DHAARN c1csc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1 ZINC000012248869 563365274 /nfs/dbraw/zinc/36/52/74/563365274.db2.gz IDZTZYCJSYFLSN-UHFFFAOYSA-N 0 0 314.395 3.967 50 0 DHAARN COc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 ZINC000012274381 563365457 /nfs/dbraw/zinc/36/54/57/563365457.db2.gz QRQZXHQNHHXKKN-UHFFFAOYSA-N 0 0 311.362 3.522 50 0 DHAARN CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 ZINC000012247843 563365591 /nfs/dbraw/zinc/36/55/91/563365591.db2.gz ZXZRTIGWPMMUJW-ZBFHGGJFSA-N 0 0 324.424 3.523 50 0 DHAARN CC(C)(C)OC(=O)N1CCCCN1C(=O)OCc1ccccc1 ZINC000012336407 563366019 /nfs/dbraw/zinc/36/60/19/563366019.db2.gz TUOLNRMGWOOMAY-UHFFFAOYSA-N 0 0 320.389 3.571 50 0 DHAARN CCCc1noc(CN2CCC(Cc3ccccc3F)CC2)n1 ZINC000012372827 563367272 /nfs/dbraw/zinc/36/72/72/563367272.db2.gz RZLDGFNZUVDQQO-UHFFFAOYSA-N 0 0 317.408 3.616 50 0 DHAARN C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CCCO1 ZINC000012383324 563368478 /nfs/dbraw/zinc/36/84/78/563368478.db2.gz NPQLCAVGRVTOCS-JSGCOSHPSA-N 0 0 307.459 3.704 50 0 DHAARN CC(C)c1ccccc1OC(C)(C)C(=O)NCc1ccccn1 ZINC000012383100 563368530 /nfs/dbraw/zinc/36/85/30/563368530.db2.gz SRULHYWJKPQSGU-UHFFFAOYSA-N 0 0 312.413 3.679 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 ZINC000012469288 563369902 /nfs/dbraw/zinc/36/99/02/563369902.db2.gz ZVZGXJRCSKRLIN-IRXDYDNUSA-N 0 0 319.412 3.623 50 0 aggregator DHAARN CCc1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000012493296 563370924 /nfs/dbraw/zinc/37/09/24/563370924.db2.gz LTCULRWLSLQHHX-UHFFFAOYSA-N 0 0 308.381 3.711 50 0 DHAARN O=C(NCc1ccccc1Cl)c1ccn(C2CCCC2)n1 ZINC000032610863 563371279 /nfs/dbraw/zinc/37/12/79/563371279.db2.gz DHJKZTVOZKITNG-UHFFFAOYSA-N 0 0 303.793 3.582 50 0 DHAARN Cc1ccc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)o1 ZINC000012583889 563371646 /nfs/dbraw/zinc/37/16/46/563371646.db2.gz JVUAWDFRYAPYFT-KRWDZBQOSA-N 0 0 320.396 3.607 50 0 DHAARN Cc1cccc(-c2noc(CNC(=S)Nc3ccccc3)n2)c1 ZINC000012654206 563372673 /nfs/dbraw/zinc/37/26/73/563372673.db2.gz WKFHVUZGQOZMOZ-UHFFFAOYSA-N 0 0 324.409 3.532 50 0 DHAARN CC(C)c1nnc(SCCCC(=O)c2ccc(F)cc2)[nH]1 ZINC000012783388 563372949 /nfs/dbraw/zinc/37/29/49/563372949.db2.gz UZDCGGYNNDPABV-UHFFFAOYSA-N 0 0 307.394 3.822 50 0 DHAARN COCCNC(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012714824 563373195 /nfs/dbraw/zinc/37/31/95/563373195.db2.gz PLAHDFYTNSCONK-QGZVFWFLSA-N 0 0 317.816 3.625 50 0 DHAARN C[C@@H]1CCCC[C@H]1N=C1NN=C(c2c(F)cccc2F)CS1 ZINC000012797728 563373662 /nfs/dbraw/zinc/37/36/62/563373662.db2.gz PKBYSZPJBMUYBC-ZWNOBZJWSA-N 0 0 323.412 3.940 50 0 DHAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccccc1 ZINC000012999144 563376927 /nfs/dbraw/zinc/37/69/27/563376927.db2.gz PPQUCLJZZBXFIA-LLVKDONJSA-N 0 0 313.328 3.533 50 0 DHAARN COc1cccc(NC(=O)N[C@H](C)c2ccccc2OC)c1 ZINC000013048108 563377549 /nfs/dbraw/zinc/37/75/49/563377549.db2.gz XEEIVRDHLZANNO-GFCCVEGCSA-N 0 0 300.358 3.587 50 0 DHAARN C[C@@H]1CCc2c(sc3[nH]cnc(=NN4CCCCC4)c23)C1 ZINC000013071184 563377598 /nfs/dbraw/zinc/37/75/98/563377598.db2.gz UWNXKBZHEFBPNJ-LLVKDONJSA-N 0 0 302.447 3.629 50 0 DHAARN Cc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 ZINC000013131359 563378681 /nfs/dbraw/zinc/37/86/81/563378681.db2.gz SKZUFMZSQVXPKH-IAGOWNOFSA-N 0 0 319.412 3.623 50 0 aggregator DHAARN CCCc1cc(C(=O)N2CCN(c3ccccc3)CC2)cs1 ZINC000013331601 563381093 /nfs/dbraw/zinc/38/10/93/563381093.db2.gz ACCQGRIBOJZXGM-UHFFFAOYSA-N 0 0 314.454 3.663 50 0 DHAARN C/[S@@](=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000013464319 563381882 /nfs/dbraw/zinc/38/18/82/563381882.db2.gz GWHNOWFXNJODPS-SFHVURJKSA-N 0 0 313.831 3.520 50 0 DHAARN COc1ccc2cc([C@@H](C)C(=O)NCc3cccnc3)ccc2c1 ZINC000032716576 563381961 /nfs/dbraw/zinc/38/19/61/563381961.db2.gz WHUPTQMTRMWKIP-CQSZACIVSA-N 0 0 320.392 3.663 50 0 DHAARN Cc1noc2nc(-c3cccs3)cc(C(=O)NC(C)(C)C)c12 ZINC000013642032 563384149 /nfs/dbraw/zinc/38/41/49/563384149.db2.gz LDYSVOSJMQQMAZ-UHFFFAOYSA-N 0 0 315.398 3.788 50 0 DHAARN CN(Cc1ncc(-c2ccccc2)o1)Cc1ccc2c(c1)OCO2 ZINC000032751554 563390079 /nfs/dbraw/zinc/39/00/79/563390079.db2.gz APNYLEVMFOVXPW-UHFFFAOYSA-N 0 0 322.364 3.702 50 0 DHAARN CC(=O)Nc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000032744932 563390241 /nfs/dbraw/zinc/39/02/41/563390241.db2.gz MQHSRNCIXVXBCY-GOSISDBHSA-N 0 0 310.397 3.772 50 0 DHAARN c1coc(-c2noc(CSc3nccn3-c3ccccc3)n2)c1 ZINC000032754602 563390662 /nfs/dbraw/zinc/39/06/62/563390662.db2.gz UHWVKIQAJKYZFV-UHFFFAOYSA-N 0 0 324.365 3.808 50 0 DHAARN C[C@@H](Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1 ZINC000032760984 563390971 /nfs/dbraw/zinc/39/09/71/563390971.db2.gz VGGNRZCKXXYLPH-GFCCVEGCSA-N 0 0 309.394 3.749 50 0 DHAARN CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)s1 ZINC000013939123 563392729 /nfs/dbraw/zinc/39/27/29/563392729.db2.gz CCZFIHFBVUYBIC-UHFFFAOYSA-N 0 0 309.884 3.895 50 0 DHAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1 ZINC000013942656 563392820 /nfs/dbraw/zinc/39/28/20/563392820.db2.gz CEJDSLCTOKLOKQ-ZDUSSCGKSA-N 0 0 301.415 3.521 50 0 DHAARN C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000014076314 563394875 /nfs/dbraw/zinc/39/48/75/563394875.db2.gz XJCMTSBMSPRJIU-CYBMUJFWSA-N 0 0 323.421 3.625 50 0 DHAARN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000014084890 563395522 /nfs/dbraw/zinc/39/55/22/563395522.db2.gz BSPVXLFAZJERBJ-UHFFFAOYSA-N 0 0 322.817 3.792 50 0 DHAARN Cc1cccnc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000014093837 563395627 /nfs/dbraw/zinc/39/56/27/563395627.db2.gz WGBBCSFNWSYQIQ-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN COc1ccc([C@H](C)NCc2nc3ccccc3o2)cc1F ZINC000032806024 563395669 /nfs/dbraw/zinc/39/56/69/563395669.db2.gz ZQHOETVXFGRVIK-NSHDSACASA-N 0 0 300.333 3.826 50 0 DHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1cccs1 ZINC000014116628 563396224 /nfs/dbraw/zinc/39/62/24/563396224.db2.gz HSNJTAQTXNGSNO-LLVKDONJSA-N 0 0 309.818 3.528 50 0 DHAARN COc1ccc(Cl)cc1CSc1nnc2ccccn21 ZINC000014138553 563396293 /nfs/dbraw/zinc/39/62/93/563396293.db2.gz LCQJKBDFCSQVPE-UHFFFAOYSA-N 0 0 305.790 3.684 50 0 DHAARN CC(=O)Nc1ccc(SCc2ccc3c(c2)OCO3)cc1 ZINC000014171919 563396882 /nfs/dbraw/zinc/39/68/82/563396882.db2.gz MCYDFRZWEXLQAB-UHFFFAOYSA-N 0 0 301.367 3.666 50 0 DHAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1(C)C ZINC000014171674 563397161 /nfs/dbraw/zinc/39/71/61/563397161.db2.gz LDZIBXGPLKGDGR-HZPDHXFCSA-N 0 0 300.402 3.822 50 0 DHAARN CCOc1c(Cl)cc(C(=O)N[C@@H](C)c2ccco2)cc1OC ZINC000014242811 563399054 /nfs/dbraw/zinc/39/90/54/563399054.db2.gz NBBZWUCWDPASTD-JTQLQIEISA-N 0 0 323.776 3.831 50 0 DHAARN CCONC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000014242527 563399064 /nfs/dbraw/zinc/39/90/64/563399064.db2.gz WRFMQURTBMPTAE-UHFFFAOYSA-N 0 0 321.380 3.529 50 0 DHAARN COc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000014239883 563399220 /nfs/dbraw/zinc/39/92/20/563399220.db2.gz KVRLSIIBIWPNDN-HNNXBMFYSA-N 0 0 317.385 3.801 50 0 DHAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)cc1F ZINC000014270774 563400513 /nfs/dbraw/zinc/40/05/13/563400513.db2.gz SGHYJMISXQKDGI-SNVBAGLBSA-N 0 0 307.752 3.979 50 0 DHAARN O=C(Nc1nc2c(s1)CCCCC2)c1cnc2ccccc2n1 ZINC000014554412 563400899 /nfs/dbraw/zinc/40/08/99/563400899.db2.gz IUMVTDJNPSLIJX-UHFFFAOYSA-N 0 0 324.409 3.608 50 0 DHAARN C[C@@H](NC(=O)NCc1cccnc1)c1ccc2ccccc2c1 ZINC000032841247 563401580 /nfs/dbraw/zinc/40/15/80/563401580.db2.gz VECDYSKGVKJNFS-CQSZACIVSA-N 0 0 305.381 3.795 50 0 DHAARN CN(Cc1ccccc1N1CCCCC1)C(=O)Nc1cccnc1 ZINC000032841232 563401730 /nfs/dbraw/zinc/40/17/30/563401730.db2.gz BYNXAPAAOHVISO-UHFFFAOYSA-N 0 0 324.428 3.736 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000014638608 563402090 /nfs/dbraw/zinc/40/20/90/563402090.db2.gz JWXLEGZVJBTWSY-GOSISDBHSA-N 0 0 311.381 3.805 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccccc12 ZINC000014796121 563402743 /nfs/dbraw/zinc/40/27/43/563402743.db2.gz JVVIKLDPSQTSEB-OAHLLOKOSA-N 0 0 306.409 3.929 50 0 DHAARN O=C(C[C@H]1C=CCC1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000014802663 563403092 /nfs/dbraw/zinc/40/30/92/563403092.db2.gz TXXCDNQISLZGDI-LBPRGKRZSA-N 0 0 318.804 3.762 50 0 DHAARN CCC(CC)C(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000014880167 563403380 /nfs/dbraw/zinc/40/33/80/563403380.db2.gz OAMOGWCKBXTADI-QGZVFWFLSA-N 0 0 324.424 3.605 50 0 DHAARN Cc1ccccc1OCCC(=O)Nc1ccc(F)c(F)c1F ZINC000015003108 563405257 /nfs/dbraw/zinc/40/52/57/563405257.db2.gz NFXGDNBSPSEVFT-UHFFFAOYSA-N 0 0 309.287 3.820 50 0 DHAARN COc1ccc(OC)c(C[C@H]2C(=O)Nc3ccc(Cl)cc32)c1 ZINC000015017936 563406283 /nfs/dbraw/zinc/40/62/83/563406283.db2.gz LZTUASKOOYYRBJ-CQSZACIVSA-N 0 0 317.772 3.636 50 0 DHAARN Cc1ccsc1C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000032883856 563407767 /nfs/dbraw/zinc/40/77/67/563407767.db2.gz RCDYDETUJNMGGT-UHFFFAOYSA-N 0 0 301.415 3.694 50 0 DHAARN O=C(Cc1cccc(F)c1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000015199574 563408460 /nfs/dbraw/zinc/40/84/60/563408460.db2.gz FKEKNHNLSHQVBE-OAHLLOKOSA-N 0 0 319.376 3.861 50 0 DHAARN O=C(Cc1cccc(F)c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000015199576 563408471 /nfs/dbraw/zinc/40/84/71/563408471.db2.gz FKEKNHNLSHQVBE-HNNXBMFYSA-N 0 0 319.376 3.861 50 0 DHAARN COC(=O)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000015302313 563409147 /nfs/dbraw/zinc/40/91/47/563409147.db2.gz MMDATDSHZPJVHX-UHFFFAOYSA-N 0 0 309.365 3.604 50 0 DHAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000015328946 563409256 /nfs/dbraw/zinc/40/92/56/563409256.db2.gz YALWISLBNRWJPP-ZDUSSCGKSA-N 0 0 315.344 3.743 50 0 DHAARN O=C(CC1CCCCC1)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC000060110771 563410063 /nfs/dbraw/zinc/41/00/63/563410063.db2.gz ZDGXSVLDHONTSD-MRXNPFEDSA-N 0 0 301.386 3.547 50 0 DHAARN NC(=O)c1ccc(COc2ccc(Oc3ccccn3)cc2)cc1 ZINC000032906715 563410729 /nfs/dbraw/zinc/41/07/29/563410729.db2.gz RNBDMBJCOORSLD-UHFFFAOYSA-N 0 0 320.348 3.552 50 0 DHAARN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000032915507 563412036 /nfs/dbraw/zinc/41/20/36/563412036.db2.gz JPBZVBOGIXZHQS-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000032930611 563413435 /nfs/dbraw/zinc/41/34/35/563413435.db2.gz UHMUMFDPZGBQBC-UHFFFAOYSA-N 0 0 309.287 3.558 50 0 DHAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000000422563 563414042 /nfs/dbraw/zinc/41/40/42/563414042.db2.gz CPVXCYQYEJSULW-UHFFFAOYSA-N 0 0 316.817 3.823 50 0 DHAARN Cc1ccccc1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000032930612 563414224 /nfs/dbraw/zinc/41/42/24/563414224.db2.gz DIIKXGYLYOFHJG-UHFFFAOYSA-N 0 0 323.314 3.866 50 0 DHAARN O=C(Nc1ccc(Oc2cnccn2)cc1)c1cccc(F)c1 ZINC000032930792 563414281 /nfs/dbraw/zinc/41/42/81/563414281.db2.gz GCSYXIHROQNGRC-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)s1 ZINC000010677896 563416630 /nfs/dbraw/zinc/41/66/30/563416630.db2.gz CMJNOZQTDVMXAV-UHFFFAOYSA-N 0 0 311.410 3.514 50 0 DHAARN CC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2O)cc1 ZINC000010750636 563417847 /nfs/dbraw/zinc/41/78/47/563417847.db2.gz XDIIOCPKPPPCQD-UHFFFAOYSA-N 0 0 300.383 3.712 50 0 DHAARN CCc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000010764591 563418179 /nfs/dbraw/zinc/41/81/79/563418179.db2.gz RQZGECFVGRCBNQ-UHFFFAOYSA-N 0 0 322.408 3.528 50 0 DHAARN CN1C(=O)Cc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 ZINC000010825991 563419264 /nfs/dbraw/zinc/41/92/64/563419264.db2.gz NOKDWVKMUNNLGQ-UHFFFAOYSA-N 0 0 316.360 3.611 50 0 DHAARN CCc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000010901018 563419597 /nfs/dbraw/zinc/41/95/97/563419597.db2.gz LHJRTQOLJWBHIT-UHFFFAOYSA-N 0 0 322.408 3.528 50 0 DHAARN Cc1ccccc1NC(=O)NCCc1nc(-c2ccccc2)c[nH]1 ZINC000069918075 563420490 /nfs/dbraw/zinc/42/04/90/563420490.db2.gz MVTKYXQFMIGUIU-UHFFFAOYSA-N 0 0 320.396 3.749 50 0 DHAARN COC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC000010953840 563420518 /nfs/dbraw/zinc/42/05/18/563420518.db2.gz WFJHTBYOIPEFAG-UHFFFAOYSA-N 0 0 313.357 3.676 50 0 DHAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1cccs1 ZINC000025065752 563421487 /nfs/dbraw/zinc/42/14/87/563421487.db2.gz FMCICWXKPSKEFD-UHFFFAOYSA-N 0 0 315.398 3.739 50 0 DHAARN Cc1cc(C(=O)CCC(=O)N2CCc3ccccc32)c(C)s1 ZINC000025380631 563423002 /nfs/dbraw/zinc/42/30/02/563423002.db2.gz NJWNMIYTJVVSPD-UHFFFAOYSA-N 0 0 313.422 3.917 50 0 DHAARN CC(C)CCCNC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000026146938 563424842 /nfs/dbraw/zinc/42/48/42/563424842.db2.gz PSBWLVUEXZSJAU-HNNXBMFYSA-N 0 0 314.433 3.669 50 0 DHAARN Cc1cccc(COC(=O)c2cc3cnn(C(C)C)c3nc2C)c1 ZINC000026259092 563425325 /nfs/dbraw/zinc/42/53/25/563425325.db2.gz UBQRRWUWUWFGPL-UHFFFAOYSA-N 0 0 323.396 3.986 50 0 DHAARN O=C(Cc1noc2ccccc21)N(Cc1ccccc1F)C1CC1 ZINC000027251196 563427413 /nfs/dbraw/zinc/42/74/13/563427413.db2.gz UWXLBYCEUJFQEK-UHFFFAOYSA-N 0 0 324.355 3.701 50 0 DHAARN C[C@H](NC(=O)C1CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027304949 563427563 /nfs/dbraw/zinc/42/75/63/563427563.db2.gz NFABSMMXTDDLCA-ZDUSSCGKSA-N 0 0 314.429 3.793 50 0 DHAARN CCOc1ccc(OCC)c(NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000027378842 563428088 /nfs/dbraw/zinc/42/80/88/563428088.db2.gz YXIZRMIOHBXTRP-UHFFFAOYSA-N 0 0 308.765 3.718 50 0 DHAARN Cc1nsc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)n1 ZINC000027750014 563429562 /nfs/dbraw/zinc/42/95/62/563429562.db2.gz WRBCBHWRTMUQGP-LLVKDONJSA-N 0 0 319.430 3.684 50 0 DHAARN Cc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000027734824 563429611 /nfs/dbraw/zinc/42/96/11/563429611.db2.gz CEUBIRDXKLZPFU-NSHDSACASA-N 0 0 319.202 3.644 50 0 DHAARN Cc1nc(COc2ccccc2C(=O)NC2CCCC2)cs1 ZINC000027774763 563429846 /nfs/dbraw/zinc/42/98/46/563429846.db2.gz QWZLMQDRGAYPOJ-UHFFFAOYSA-N 0 0 316.426 3.703 50 0 DHAARN C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000027876048 563429994 /nfs/dbraw/zinc/42/99/94/563429994.db2.gz RZLMOYZUVCDKLG-JOYOIKCWSA-N 0 0 319.348 3.596 50 0 DHAARN O=C(NCc1ccccn1)c1ccc(CSc2ccccc2)o1 ZINC000028269680 563430839 /nfs/dbraw/zinc/43/08/39/563430839.db2.gz GDDFAWAYGICSHL-UHFFFAOYSA-N 0 0 324.405 3.897 50 0 DHAARN O=C([C@@H]1CC=CCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000027999022 563431042 /nfs/dbraw/zinc/43/10/42/563431042.db2.gz YELPYFKINZKYTJ-OAHLLOKOSA-N 0 0 309.413 3.625 50 0 DHAARN CCOC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1C ZINC000072274147 563431706 /nfs/dbraw/zinc/43/17/06/563431706.db2.gz MOYUQQWPLMILIM-AAEUAGOBSA-N 0 0 319.405 3.874 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2c(C)noc2C(C)C)c1 ZINC000029075087 563432985 /nfs/dbraw/zinc/43/29/85/563432985.db2.gz ANTVMGKVEFGUFU-UHFFFAOYSA-N 0 0 315.373 3.707 50 0 DHAARN C[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1 ZINC000028927010 563433267 /nfs/dbraw/zinc/43/32/67/563433267.db2.gz QDRCCHYFTZHFBY-CQSZACIVSA-N 0 0 305.381 3.610 50 0 DHAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)OC2CCCC2)n1 ZINC000072283295 563433562 /nfs/dbraw/zinc/43/35/62/563433562.db2.gz PQHLMNNJNQAQST-HIFRSBDPSA-N 0 0 322.474 3.853 50 0 DHAARN Brc1ccccc1CNc1ccc2cn[nH]c2c1 ZINC000000757554 563433808 /nfs/dbraw/zinc/43/38/08/563433808.db2.gz PZKQPPYZBLGHEV-UHFFFAOYSA-N 0 0 302.175 3.938 50 0 DHAARN COc1ccc(NC(=O)CCc2ccccc2Cl)cc1OC ZINC000029699399 563435407 /nfs/dbraw/zinc/43/54/07/563435407.db2.gz USRZDSWGUNZMHS-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN O=C(NC1CCCCC1)c1ccccc1OCc1ccncc1 ZINC000029958167 563436356 /nfs/dbraw/zinc/43/63/56/563436356.db2.gz XUZAWNRLHZFAIZ-UHFFFAOYSA-N 0 0 310.397 3.723 50 0 DHAARN CN(Cc1nc(-c2ccco2)no1)Cc1cccc(Cl)c1 ZINC000029973985 563436383 /nfs/dbraw/zinc/43/63/83/563436383.db2.gz PFSCBHTWSOXCCG-UHFFFAOYSA-N 0 0 303.749 3.615 50 0 DHAARN COc1ccc(-c2nnc([C@H](C)N(C)Cc3ccco3)o2)cc1 ZINC000030276449 563436739 /nfs/dbraw/zinc/43/67/39/563436739.db2.gz JPRLXLPDZCBBLT-LBPRGKRZSA-N 0 0 313.357 3.531 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 ZINC000030232246 563437019 /nfs/dbraw/zinc/43/70/19/563437019.db2.gz KAHPNBPSRJXSNQ-CYBMUJFWSA-N 0 0 302.399 3.511 50 0 DHAARN CCOc1ncccc1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC000030309437 563437050 /nfs/dbraw/zinc/43/70/50/563437050.db2.gz SDIUWKLSXCERFI-UHFFFAOYSA-N 0 0 318.461 3.949 50 0 DHAARN Cn1ccnc1[C@H](NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000030644248 563437529 /nfs/dbraw/zinc/43/75/29/563437529.db2.gz YYJXOLCJYSJXQK-QGZVFWFLSA-N 0 0 313.351 3.578 50 0 DHAARN CCc1ccc(NC(=O)c2cc(F)ccc2-n2ccnc2)cc1 ZINC000072292856 563437677 /nfs/dbraw/zinc/43/76/77/563437677.db2.gz YUPOPDDQBYCWQF-UHFFFAOYSA-N 0 0 309.344 3.826 50 0 DHAARN FC(F)(F)c1ccnc(Br)c1Br ZINC000030714879 563438327 /nfs/dbraw/zinc/43/83/27/563438327.db2.gz IVEVXLCTUVYZDJ-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)C1CC1 ZINC000030830962 563439029 /nfs/dbraw/zinc/43/90/29/563439029.db2.gz FUFGXWBNUZJVEY-UHFFFAOYSA-N 0 0 300.383 3.657 50 0 DHAARN O=C(NCC(F)(F)F)c1ccc(-c2cccs2)cc1F ZINC000030877482 563439541 /nfs/dbraw/zinc/43/95/41/563439541.db2.gz DBHPRFDGUXKSSS-UHFFFAOYSA-N 0 0 303.280 3.846 50 0 DHAARN CCc1nc2ccc(C(=O)N(C)Cc3ccco3)cc2nc1CC ZINC000030921699 563440059 /nfs/dbraw/zinc/44/00/59/563440059.db2.gz MNQHAGULPACTED-UHFFFAOYSA-N 0 0 323.396 3.620 50 0 DHAARN O=C(NCCC1=CCCCC1)c1ccc(Cn2ccnc2)cc1 ZINC000032931353 563443948 /nfs/dbraw/zinc/44/39/48/563443948.db2.gz LSXGYJLERMGYDC-UHFFFAOYSA-N 0 0 309.413 3.552 50 0 DHAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1c(F)cccc1F ZINC000033269864 563444817 /nfs/dbraw/zinc/44/48/17/563444817.db2.gz BSPOLNSOHUBDPV-CYBMUJFWSA-N 0 0 306.312 3.547 50 0 DHAARN COc1ccc(NC2=NC(=O)SC2=Cc2ccncc2)cc1 ZINC000071285771 563445268 /nfs/dbraw/zinc/44/52/68/563445268.db2.gz ORCQESUWUXPIRV-UVTDQMKNSA-N 0 0 311.366 3.809 50 0 DHAARN CCc1ccccc1NC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000033892427 563446107 /nfs/dbraw/zinc/44/61/07/563446107.db2.gz BGDGVHRCMFGFDG-UHFFFAOYSA-N 0 0 323.440 3.599 50 0 DHAARN Cc1ccc(C(=O)c2ccc(I)cc2)cc1 ZINC000034184466 563446199 /nfs/dbraw/zinc/44/61/99/563446199.db2.gz PLVOIHKMHMFYMR-UHFFFAOYSA-N 0 0 322.145 3.831 50 0 DHAARN CCc1nc2ccccc2c(NC(=O)CN2CCCCC2)c1C ZINC000000104402 563446877 /nfs/dbraw/zinc/44/68/77/563446877.db2.gz RAEPOFVGYZOLAF-UHFFFAOYSA-N 0 0 311.429 3.530 50 0 DHAARN O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1Cl ZINC000000181811 563446883 /nfs/dbraw/zinc/44/68/83/563446883.db2.gz FJVKCWADMYPNPD-UHFFFAOYSA-N 0 0 306.774 3.568 50 0 DHAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cccnc1 ZINC000002838872 563446935 /nfs/dbraw/zinc/44/69/35/563446935.db2.gz GBNWPYFERGQCKI-UHFFFAOYSA-N 0 0 302.333 3.565 50 0 DHAARN COc1ccccc1C(=O)Nc1cc2c(cc1OC)CCCC2 ZINC000000304146 563447396 /nfs/dbraw/zinc/44/73/96/563447396.db2.gz ZZPUJYZLZMSXLI-UHFFFAOYSA-N 0 0 311.381 3.835 50 0 DHAARN CCC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc(OC)cc1 ZINC000000613555 563448214 /nfs/dbraw/zinc/44/82/14/563448214.db2.gz OCOBVEAQRJVGJS-INIZCTEOSA-N 0 0 312.369 3.684 50 0 DHAARN Nc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F ZINC000001170472 563448309 /nfs/dbraw/zinc/44/83/09/563448309.db2.gz DPKKBYLZGCNYGO-UHFFFAOYSA-N 0 0 309.209 3.734 50 0 DHAARN c1cn(CCCOc2ccc(OCc3ccccc3)cc2)cn1 ZINC000016193069 563449064 /nfs/dbraw/zinc/44/90/64/563449064.db2.gz GDOCZESOENPXFK-UHFFFAOYSA-N 0 0 308.381 3.931 50 0 DHAARN CC(C)Oc1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1 ZINC000034711801 563451096 /nfs/dbraw/zinc/45/10/96/563451096.db2.gz JOKNINXMISQSRJ-UHFFFAOYSA-N 0 0 316.426 3.833 50 0 DHAARN Oc1ccc(-c2nc3cnccn3c2Nc2ccc(F)cc2)cc1 ZINC000035616358 563453504 /nfs/dbraw/zinc/45/35/04/563453504.db2.gz CBLSOIKDASKQNJ-UHFFFAOYSA-N 0 0 320.327 3.985 50 0 DHAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)no1 ZINC000032971406 563454191 /nfs/dbraw/zinc/45/41/91/563454191.db2.gz CSVFBVGZCLCWTG-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN CSc1cccc(NC(=O)c2cc(C)nc3onc(C)c32)c1 ZINC000036353157 563454857 /nfs/dbraw/zinc/45/48/57/563454857.db2.gz DTDKKVKRZRXEEZ-UHFFFAOYSA-N 0 0 313.382 3.814 50 0 DHAARN C=C(P(=O)(OCC)OCC)P(=O)(OCC)OCC ZINC000036533550 563455310 /nfs/dbraw/zinc/45/53/10/563455310.db2.gz SLSPWQKLLPYKAB-UHFFFAOYSA-N 0 0 300.228 3.990 50 0 DHAARN CCOc1ccc(N2C(=S)N=NC2c2ccccc2C)cc1 ZINC000036724591 563457422 /nfs/dbraw/zinc/45/74/22/563457422.db2.gz SBSZGHWCVJRPDP-UHFFFAOYSA-N 0 0 311.410 3.930 50 0 DHAARN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000075132277 563459559 /nfs/dbraw/zinc/45/95/59/563459559.db2.gz DJFNFNUHIMNNOS-HNNXBMFYSA-N 0 0 310.401 3.515 50 0 DHAARN O=C(NCc1cccnc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000071803845 563460047 /nfs/dbraw/zinc/46/00/47/563460047.db2.gz JFPNIIKCFIKQJZ-QGZVFWFLSA-N 0 0 313.376 3.561 50 0 DHAARN CC(C)NC(=O)c1cccc(-c2noc(/C=C/c3ccco3)n2)c1 ZINC000032996605 563460261 /nfs/dbraw/zinc/46/02/61/563460261.db2.gz DLJVYBKZSYENBR-CMDGGOBGSA-N 0 0 323.352 3.638 50 0 DHAARN Cc1ccc(-c2ncc(NC(=O)/C=C/c3ccco3)cn2)cc1 ZINC000097938528 563460863 /nfs/dbraw/zinc/46/08/63/563460863.db2.gz KZGMORVAUKPHIT-CMDGGOBGSA-N 0 0 305.337 3.697 50 0 DHAARN CCOc1ccc([C@H](C)NC(=O)c2cn3cccc(C)c3n2)cc1 ZINC000097939101 563460971 /nfs/dbraw/zinc/46/09/71/563460971.db2.gz VKMOFYXHAFFNCI-AWEZNQCLSA-N 0 0 323.396 3.532 50 0 DHAARN Cc1cc(Br)cnc1N1CCc2ccccc2C1 ZINC000042783644 563461235 /nfs/dbraw/zinc/46/12/35/563461235.db2.gz LJORNIGZTHSVTB-UHFFFAOYSA-N 0 0 303.203 3.715 50 0 DHAARN CC[C@H](C)NC(=O)c1nc2ccccn2c1-c1ccc(OC)cc1 ZINC000097939297 563461414 /nfs/dbraw/zinc/46/14/14/563461414.db2.gz YVPYJGHMKYXQIE-ZDUSSCGKSA-N 0 0 323.396 3.538 50 0 DHAARN C[N@@H+]1C[C@@H](C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000052525320 563469036 /nfs/dbraw/zinc/46/90/36/563469036.db2.gz DQDLEPZVHJFUCX-ZIAGYGMSSA-N 0 0 305.830 3.930 50 0 DHAARN Cc1c(C[S@](C)=O)cccc1NC(=O)CC1CCCCC1 ZINC000071909700 563469091 /nfs/dbraw/zinc/46/90/91/563469091.db2.gz FQCWODOGBDRPBN-OAQYLSRUSA-N 0 0 307.459 3.782 50 0 DHAARN O=C(CCc1cccnc1)NCC1(c2ccccc2)CCCC1 ZINC000053852769 563469579 /nfs/dbraw/zinc/46/95/79/563469579.db2.gz KITHXQOHOHNSKE-UHFFFAOYSA-N 0 0 308.425 3.642 50 0 DHAARN CCOc1cc(CN(C)Cc2cc[nH]n2)ccc1O[C@@H](C)CC ZINC000055270728 563473595 /nfs/dbraw/zinc/47/35/95/563473595.db2.gz YQZCQASBOLVJBW-AWEZNQCLSA-N 0 0 317.433 3.618 50 0 DHAARN Fc1ccc(CN2CCN(c3ccccc3Cl)CC2)c(F)c1 ZINC000055542944 563476048 /nfs/dbraw/zinc/47/60/48/563476048.db2.gz XWGHPGYPMPWFBK-UHFFFAOYSA-N 0 0 322.786 3.940 50 0 DHAARN Cc1cc(C)cc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000011155081 563477940 /nfs/dbraw/zinc/47/79/40/563477940.db2.gz OBSQQAGTDXGHPG-GOSISDBHSA-N 0 0 312.388 3.874 50 0 DHAARN Cc1c(C)n(C)c2c1cc1c(C(F)(F)F)cc(=O)[nH]c1c2C ZINC000004625939 563478130 /nfs/dbraw/zinc/47/81/30/563478130.db2.gz BJTHLDSIPIQTJK-UHFFFAOYSA-N 0 0 308.303 3.964 50 0 DHAARN C[C@H](SC[C@@H](O)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000058342117 563478649 /nfs/dbraw/zinc/47/86/49/563478649.db2.gz STWGFTSTDPDYIK-BLLLJJGKSA-N 0 0 319.401 3.620 50 0 DHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCCc2ncccc21 ZINC000058341978 563478728 /nfs/dbraw/zinc/47/87/28/563478728.db2.gz DDHGKKIVJPTJOP-UHFFFAOYSA-N 0 0 306.287 3.693 50 0 DHAARN Cc1ccc(C[C@H](C)NC(=O)N(C)[C@H](C)c2ccccn2)s1 ZINC000096415585 563480701 /nfs/dbraw/zinc/48/07/01/563480701.db2.gz XONAYBRHUURQFK-GXTWGEPZSA-N 0 0 317.458 3.785 50 0 DHAARN O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccsc1 ZINC000096417220 563481011 /nfs/dbraw/zinc/48/10/11/563481011.db2.gz ZOBDFFAFWDZGHP-ZDUSSCGKSA-N 0 0 320.389 3.730 50 0 DHAARN CCc1ncncc1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000096436420 563481353 /nfs/dbraw/zinc/48/13/53/563481353.db2.gz NOAIWBCMQNRQHI-UHFFFAOYSA-N 0 0 310.401 3.646 50 0 DHAARN Cc1nc2ccccn2c1CSc1nnc(OC(C)C)s1 ZINC000096424882 563481367 /nfs/dbraw/zinc/48/13/67/563481367.db2.gz XMRMYOFXSZSPPE-UHFFFAOYSA-N 0 0 320.443 3.574 50 0 DHAARN CCOCc1ccccc1NC(=O)N[C@H]1CC[C@H](SC)C1 ZINC000096434246 563482139 /nfs/dbraw/zinc/48/21/39/563482139.db2.gz WZHAPNAXDYEIEQ-KBPBESRZSA-N 0 0 308.447 3.629 50 0 DHAARN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCc2cscn2)o1 ZINC000096433173 563482193 /nfs/dbraw/zinc/48/21/93/563482193.db2.gz DSTMKUNQHMUKIC-IUODEOHRSA-N 0 0 318.442 3.977 50 0 DHAARN CCSc1ccc(NC(=O)Nc2c(C)nn(CC)c2C)cn1 ZINC000096434349 563482244 /nfs/dbraw/zinc/48/22/44/563482244.db2.gz XAIGAPXVVFMRSO-UHFFFAOYSA-N 0 0 319.434 3.671 50 0 DHAARN CC[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccncc1 ZINC000096434460 563482381 /nfs/dbraw/zinc/48/23/81/563482381.db2.gz NIXBFAZUMFTZJK-MRXNPFEDSA-N 0 0 311.385 3.679 50 0 DHAARN CC[C@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)c1ccncc1 ZINC000096434178 563482507 /nfs/dbraw/zinc/48/25/07/563482507.db2.gz POARGWWRCQNQKU-AWEZNQCLSA-N 0 0 321.327 3.641 50 0 DHAARN CCSCc1cccc(NC(=O)N(CC)CC(C)(C)O)c1 ZINC000096459635 563483060 /nfs/dbraw/zinc/48/30/60/563483060.db2.gz OYFNMKGXMOIHQK-UHFFFAOYSA-N 0 0 310.463 3.564 50 0 DHAARN Cc1csc(N(C(=O)c2n[nH]c(C3CC3)c2Cl)C2CC2)n1 ZINC000096468177 563483594 /nfs/dbraw/zinc/48/35/94/563483594.db2.gz FPBOCBNJOUSLEG-UHFFFAOYSA-N 0 0 322.821 3.515 50 0 DHAARN CCCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000033059921 563483736 /nfs/dbraw/zinc/48/37/36/563483736.db2.gz UGRLBDKDSDTHIO-UHFFFAOYSA-N 0 0 313.426 3.844 50 0 DHAARN Cc1nnc(-c2cccc(C(=O)OCCc3cccs3)c2)o1 ZINC000096467288 563483889 /nfs/dbraw/zinc/48/38/89/563483889.db2.gz NNRYGJIAIVOERZ-UHFFFAOYSA-N 0 0 314.366 3.506 50 0 DHAARN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C)cc1Br ZINC000096483927 563484963 /nfs/dbraw/zinc/48/49/63/563484963.db2.gz RHXYAKJPUJKZKP-LLVKDONJSA-N 0 0 322.250 3.650 50 0 DHAARN CC1(NC(=O)Nc2cnc(-c3ccccc3)s2)CCOCC1 ZINC000096495571 563485229 /nfs/dbraw/zinc/48/52/29/563485229.db2.gz DXWKXWXDFMIQCY-UHFFFAOYSA-N 0 0 317.414 3.501 50 0 DHAARN c1c[nH]c(-c2c(-c3ccccc3)ncn2CCc2ccccn2)n1 ZINC000067540717 563488003 /nfs/dbraw/zinc/48/80/03/563488003.db2.gz KIZHHACRCJFZCN-UHFFFAOYSA-N 0 0 315.380 3.578 50 0 DHAARN CC[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1cnc2ccccn21 ZINC000067490505 563488010 /nfs/dbraw/zinc/48/80/10/563488010.db2.gz XABSMWVBWACJPE-INIZCTEOSA-N 0 0 323.396 3.566 50 0 DHAARN CCn1nc(C(C)C)cc1C(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000067714103 563489875 /nfs/dbraw/zinc/48/98/75/563489875.db2.gz QIFNCBSLJVQNTQ-INIZCTEOSA-N 0 0 315.392 3.753 50 0 DHAARN CC(C)n1ccnc1CN1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000067821648 563491487 /nfs/dbraw/zinc/49/14/87/563491487.db2.gz SAHSWAOEVNOPER-CQSZACIVSA-N 0 0 317.458 3.620 50 0 DHAARN CCCc1ncn(Cc2nc(-c3sccc3C)oc2C)n1 ZINC000067854923 563492072 /nfs/dbraw/zinc/49/20/72/563492072.db2.gz ZXULJRZCLSLBGN-UHFFFAOYSA-N 0 0 302.403 3.612 50 0 DHAARN CCOc1ccc(-c2c[nH]c(-c3c(C)nn(C)c3Cl)n2)cc1 ZINC000067921426 563493234 /nfs/dbraw/zinc/49/32/34/563493234.db2.gz HKXYHPIMKMZXTF-UHFFFAOYSA-N 0 0 316.792 3.838 50 0 DHAARN CC(=O)Nc1ccccc1NC(=S)Nc1ccc(F)cc1 ZINC000004661515 563496993 /nfs/dbraw/zinc/49/69/93/563496993.db2.gz RGIDDFKLJCFWDQ-UHFFFAOYSA-N 0 0 303.362 3.593 50 0 DHAARN CN(C)c1ccccc1NC(=O)Cc1coc(-c2ccccc2)n1 ZINC000033123104 563497240 /nfs/dbraw/zinc/49/72/40/563497240.db2.gz ILJXEKGBSDIRGE-UHFFFAOYSA-N 0 0 321.380 3.589 50 0 DHAARN Cc1cccc(NC(=O)Nc2cc(F)c3[nH]c(=O)ccc3c2)c1 ZINC000033127167 563497321 /nfs/dbraw/zinc/49/73/21/563497321.db2.gz KEMFZIJSKFVAAI-UHFFFAOYSA-N 0 0 311.316 3.620 50 0 DHAARN Cc1nn2c(nccc2-c2cccnc2)c1-c1ccc(F)cc1 ZINC000071375707 563498910 /nfs/dbraw/zinc/49/89/10/563498910.db2.gz KBCCOPDWGDRFFC-UHFFFAOYSA-N 0 0 304.328 3.906 50 0 DHAARN Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000033192995 563500255 /nfs/dbraw/zinc/50/02/55/563500255.db2.gz OMQKTWOGOYWOPO-LURJTMIESA-N 0 0 318.229 3.588 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)c1cc(-c2cccnc2)on1 ZINC000033250618 563501933 /nfs/dbraw/zinc/50/19/33/563501933.db2.gz OWUKXYFHLBNKBF-UHFFFAOYSA-N 0 0 319.364 3.868 50 0 DHAARN CC[C@]1(C)Oc2ccc(NC(=O)CCc3ccccn3)cc2O1 ZINC000135262633 563502689 /nfs/dbraw/zinc/50/26/89/563502689.db2.gz CBVWLPDZWPBJKN-GOSISDBHSA-N 0 0 312.369 3.550 50 0 DHAARN c1cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)ccn1 ZINC000033255372 563502906 /nfs/dbraw/zinc/50/29/06/563502906.db2.gz RAXRURRUMJPMTL-UHFFFAOYSA-N 0 0 306.369 3.789 50 0 DHAARN OCc1cc(-c2cc(NC3CCCC3)nc3[nH]ccc32)ccc1O ZINC000072435949 563503382 /nfs/dbraw/zinc/50/33/82/563503382.db2.gz CGVPFJUWSUSRJZ-UHFFFAOYSA-N 0 0 323.396 3.782 50 0 DHAARN Cc1ccccc1-c1noc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000033269106 563505187 /nfs/dbraw/zinc/50/51/87/563505187.db2.gz JKAXXAQOCXUBBT-ZDUSSCGKSA-N 0 0 308.385 3.972 50 0 DHAARN Cc1ccc(-c2noc3ncnc(N4CCC(C)CC4)c23)cc1 ZINC000033269111 563505213 /nfs/dbraw/zinc/50/52/13/563505213.db2.gz FPVQGVNCPCLXEI-UHFFFAOYSA-N 0 0 308.385 3.830 50 0 DHAARN CC[C@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1 ZINC000000031502 563505373 /nfs/dbraw/zinc/50/53/73/563505373.db2.gz SEBHNTDAWYDYBH-LBPRGKRZSA-N 0 0 303.431 3.664 50 0 DHAARN CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccnn1C(C)(C)C ZINC000097164580 563507398 /nfs/dbraw/zinc/50/73/98/563507398.db2.gz WBLPSCIMSMXLMU-UHFFFAOYSA-N 0 0 320.824 3.955 50 0 DHAARN Cc1c(C(=O)Nc2ccc3oc4ccccc4c3c2)cnn1C ZINC000011241682 563508400 /nfs/dbraw/zinc/50/84/00/563508400.db2.gz HDCBCDCLKFJMLP-UHFFFAOYSA-N 0 0 305.337 3.880 50 0 DHAARN O=C(c1ccc(CO)cc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077406844 563510099 /nfs/dbraw/zinc/51/00/99/563510099.db2.gz YWBXLELHNHQJMK-SFHVURJKSA-N 0 0 313.372 3.685 50 0 DHAARN c1cn(Cc2csc(-c3ncccn3)n2)c([C@H]2CC=CCC2)n1 ZINC000077386062 563510384 /nfs/dbraw/zinc/51/03/84/563510384.db2.gz PVMDFRJMTIKUPQ-ZDUSSCGKSA-N 0 0 323.425 3.669 50 0 DHAARN CN(C)c1ccccc1C(=O)N(C)Cc1cccc2ncccc12 ZINC000077455164 563510617 /nfs/dbraw/zinc/51/06/17/563510617.db2.gz YITLIWLKTJVRMU-UHFFFAOYSA-N 0 0 319.408 3.573 50 0 DHAARN CCc1n[nH]cc1C(=O)N1CCCC[C@H]1CCc1cccs1 ZINC000077539893 563511643 /nfs/dbraw/zinc/51/16/43/563511643.db2.gz DHXJGKRBHHSDRJ-ZDUSSCGKSA-N 0 0 317.458 3.661 50 0 DHAARN COc1cccc(OCCc2ccc([C@@H](C)NC(C)=O)cc2)c1 ZINC000077555180 563511728 /nfs/dbraw/zinc/51/17/28/563511728.db2.gz QTHTXCAJJQHIOC-CQSZACIVSA-N 0 0 313.397 3.514 50 0 DHAARN CN(Cc1cccc2cnccc21)C(=O)CCOc1ccccc1 ZINC000077540745 563512032 /nfs/dbraw/zinc/51/20/32/563512032.db2.gz QMSXIEJEJQCURC-UHFFFAOYSA-N 0 0 320.392 3.662 50 0 DHAARN CC(C)=CCC[C@@]1(C)OC(=O)N(CCc2ccccc2)[C@@]1(C)O ZINC000000049536 563512362 /nfs/dbraw/zinc/51/23/62/563512362.db2.gz KRGZVMNZSNHJRZ-MOPGFXCFSA-N 0 0 317.429 3.895 50 0 DHAARN O=C(c1cc(Cl)c(Cl)[nH]1)N(Cc1ccncc1)C1CC1 ZINC000097211699 563512384 /nfs/dbraw/zinc/51/23/84/563512384.db2.gz PPJIMQUUKLVYPA-UHFFFAOYSA-N 0 0 310.184 3.521 50 0 DHAARN COc1ccccc1Oc1ccc(N[C@H]2C[C@@H](C)OC2=O)cc1 ZINC000097212474 563513500 /nfs/dbraw/zinc/51/35/00/563513500.db2.gz GMFHTNNRDDZBPX-DOMZBBRYSA-N 0 0 313.353 3.603 50 0 DHAARN CC1(C)C(=O)O[C@@H](c2ccc(F)cc2)C2(CCCCC2)C1=O ZINC000000053650 563514014 /nfs/dbraw/zinc/51/40/14/563514014.db2.gz GYPSTFUVVSHSCM-AWEZNQCLSA-N 0 0 304.361 3.969 50 0 DHAARN Cc1cc([C@@H](C)NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)o1 ZINC000097234625 563514414 /nfs/dbraw/zinc/51/44/14/563514414.db2.gz TXRXNWVZIAYZPT-WBMJQRKESA-N 0 0 316.405 3.617 50 0 DHAARN COc1cc([C@@H](C)Nc2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000097231435 563514452 /nfs/dbraw/zinc/51/44/52/563514452.db2.gz BBHWRHKBDYULHV-CYBMUJFWSA-N 0 0 319.426 3.580 50 0 DHAARN C[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccsc1 ZINC000097234240 563514456 /nfs/dbraw/zinc/51/44/56/563514456.db2.gz LATNOJOFZRWJLS-WFASDCNBSA-N 0 0 318.446 3.512 50 0 DHAARN C[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 ZINC000097234412 563514548 /nfs/dbraw/zinc/51/45/48/563514548.db2.gz GCWAVGBKHZGBPO-OCCSQVGLSA-N 0 0 318.446 3.512 50 0 DHAARN CC[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 ZINC000097234557 563514570 /nfs/dbraw/zinc/51/45/70/563514570.db2.gz DOGQEFKLVUFHED-ZIAGYGMSSA-N 0 0 318.446 3.859 50 0 DHAARN CN(C(=O)c1cccc(NC2CCOCC2)c1)c1ccccc1 ZINC000097235432 563514640 /nfs/dbraw/zinc/51/46/40/563514640.db2.gz CUEAPYJAWXABJZ-UHFFFAOYSA-N 0 0 310.397 3.554 50 0 DHAARN CC[C@H](c1nnc(NCc2scnc2C)o1)c1ccccc1 ZINC000097231703 563514738 /nfs/dbraw/zinc/51/47/38/563514738.db2.gz USGJPIMMWDAYJF-ZDUSSCGKSA-N 0 0 314.414 3.989 50 0 DHAARN O=C1C[C@H](c2cc(Cl)cc3c2OCOC3)Oc2ccccc21 ZINC000000064428 563517333 /nfs/dbraw/zinc/51/73/33/563517333.db2.gz ATMAPKQGVIOYHY-MRXNPFEDSA-N 0 0 316.740 3.913 50 0 biogenic DHAARN O=C(CCCC(=O)c1ccccc1)NCc1ccc(C2CC2)nc1 ZINC000585150313 563522020 /nfs/dbraw/zinc/52/20/20/563522020.db2.gz QUUGPPFYBDMMMG-UHFFFAOYSA-N 0 0 322.408 3.628 50 0 DHAARN Cc1cccc(-c2nc(CNC(=O)c3ccc(C)cc3C)no2)c1 ZINC000033327899 563522491 /nfs/dbraw/zinc/52/24/91/563522491.db2.gz YIUQNNMYFQACEP-UHFFFAOYSA-N 0 0 321.380 3.592 50 0 DHAARN CC(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000000084486 563524787 /nfs/dbraw/zinc/52/47/87/563524787.db2.gz FIALIOZKTMGSIH-UHFFFAOYSA-N 0 0 313.353 3.539 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(O)c(Br)c2)cc1 ZINC000000084049 563524914 /nfs/dbraw/zinc/52/49/14/563524914.db2.gz YHKCPLDPVMXVTQ-UHFFFAOYSA-N 0 0 306.159 3.715 50 0 DHAARN CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000011428901 563526376 /nfs/dbraw/zinc/52/63/76/563526376.db2.gz CHXRYGKLGPRFCT-NSHDSACASA-N 0 0 316.426 3.919 50 0 DHAARN CN(C(=O)Nc1ccc(Cl)cc1)c1c2c(nn1C)CCCC2 ZINC000000092459 563528369 /nfs/dbraw/zinc/52/83/69/563528369.db2.gz CEINPMNJKVLMON-UHFFFAOYSA-N 0 0 318.808 3.621 50 0 DHAARN CCCc1nnc(N2CCC(Oc3ccccc3Cl)CC2)o1 ZINC000095352893 563529057 /nfs/dbraw/zinc/52/90/57/563529057.db2.gz KGXLIPZXGBUITK-UHFFFAOYSA-N 0 0 321.808 3.723 50 0 DHAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000095379725 563529540 /nfs/dbraw/zinc/52/95/40/563529540.db2.gz IMKXKEFCRBCWKW-GFCCVEGCSA-N 0 0 317.355 3.513 50 0 DHAARN COc1cccc2c1OC[C@H](Cc1cc(C(F)(F)F)ccn1)C2 ZINC000095387412 563529703 /nfs/dbraw/zinc/52/97/03/563529703.db2.gz OSIYNGUABHXFRZ-NSHDSACASA-N 0 0 323.314 3.903 50 0 DHAARN Cc1cccc(CC[N@@H+]2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095380539 563530126 /nfs/dbraw/zinc/53/01/26/563530126.db2.gz QXRSWAGHUIAWSG-GOSISDBHSA-N 0 0 324.424 3.510 50 0 DHAARN Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(N)c3)CC2)c1 ZINC000178452390 563531354 /nfs/dbraw/zinc/53/13/54/563531354.db2.gz ZPVSCVJNKNDJEA-UHFFFAOYSA-N 0 0 324.424 3.569 50 0 DHAARN C[C@@H](O)c1cccc(N2CCC(Cc3ccccc3F)CC2)n1 ZINC000096154079 563534915 /nfs/dbraw/zinc/53/49/15/563534915.db2.gz YVNALDJQTIHCEP-CQSZACIVSA-N 0 0 314.404 3.733 50 0 DHAARN CN(CCC1(O)CCCC1)C(=O)Nc1ccccc1C1CC1 ZINC000096179537 563535558 /nfs/dbraw/zinc/53/55/58/563535558.db2.gz MKFXLBXLPASULU-UHFFFAOYSA-N 0 0 302.418 3.723 50 0 DHAARN Cc1csc2nc(CNc3ccccc3C(C)C)cc(=O)n12 ZINC000011621725 563538527 /nfs/dbraw/zinc/53/85/27/563538527.db2.gz SSCCGQCFOSJGIU-UHFFFAOYSA-N 0 0 313.426 3.800 50 0 DHAARN Cc1csc(NC(=O)N2CCCC[C@@H]2c2nccs2)n1 ZINC000176257326 563538538 /nfs/dbraw/zinc/53/85/38/563538538.db2.gz PCJPMOKFOXHYEY-SNVBAGLBSA-N 0 0 308.432 3.667 50 0 DHAARN CCN(Cc1noc(C2CCC2)n1)Cc1ccc(OC)c(F)c1 ZINC000097272343 563538707 /nfs/dbraw/zinc/53/87/07/563538707.db2.gz LWJFMUUZOOKFKJ-UHFFFAOYSA-N 0 0 319.380 3.507 50 0 DHAARN COCc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2C)n1 ZINC000097334293 563538874 /nfs/dbraw/zinc/53/88/74/563538874.db2.gz GYXWZRSHZKUDPN-GOSISDBHSA-N 0 0 310.397 3.514 50 0 DHAARN Cn1cc(CN(Cc2ccccc2C(F)(F)F)C2CC2)cn1 ZINC000097480073 563539472 /nfs/dbraw/zinc/53/94/72/563539472.db2.gz XRSRXZAOLRTPLX-UHFFFAOYSA-N 0 0 309.335 3.604 50 0 DHAARN CCOCCOc1ccccc1NC(=O)N1CC=C[C@@H]1C(C)C ZINC000097551426 563540220 /nfs/dbraw/zinc/54/02/20/563540220.db2.gz JEDKOUCNHPGBQM-MRXNPFEDSA-N 0 0 318.417 3.530 50 0 DHAARN CSC[C@H]1CCCN(C(=O)c2cccc3cc(C)oc32)C1 ZINC000097572348 563540451 /nfs/dbraw/zinc/54/04/51/563540451.db2.gz PPAWZCKXDJIRMK-ZDUSSCGKSA-N 0 0 303.427 3.956 50 0 DHAARN CC(C)n1cc(C(=O)NCCCSC2CCCCC2)cn1 ZINC000097732393 563541693 /nfs/dbraw/zinc/54/16/93/563541693.db2.gz NZYYADSDBQHXTM-UHFFFAOYSA-N 0 0 309.479 3.650 50 0 DHAARN Cc1cc([C@H]2CCCCN2Cc2cccc(-n3cccn3)c2)no1 ZINC000097696249 563541843 /nfs/dbraw/zinc/54/18/43/563541843.db2.gz IQJSGKLGEQYEPS-LJQANCHMSA-N 0 0 322.412 3.896 50 0 DHAARN O=C(NCCc1cccc(C(F)(F)F)c1)c1ncoc1C1CC1 ZINC000097743280 563541993 /nfs/dbraw/zinc/54/19/93/563541993.db2.gz XVJBOOXGHJBMED-UHFFFAOYSA-N 0 0 324.302 3.543 50 0 DHAARN CCCc1nc(CNc2nccc(-c3ccccn3)n2)cs1 ZINC000097815087 563542642 /nfs/dbraw/zinc/54/26/42/563542642.db2.gz VCRRCGUKULQDPA-UHFFFAOYSA-N 0 0 311.414 3.560 50 0 DHAARN COCC1(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CCC1 ZINC000097757865 563542707 /nfs/dbraw/zinc/54/27/07/563542707.db2.gz GZMXNSVFGBZFPE-NSHDSACASA-N 0 0 315.335 3.699 50 0 DHAARN COc1cccc([C@H]2CCN2C(=O)c2csc(C(C)=O)c2)c1 ZINC000097815233 563542736 /nfs/dbraw/zinc/54/27/36/563542736.db2.gz UKQZOLSLONSVGS-OAHLLOKOSA-N 0 0 315.394 3.547 50 0 DHAARN Cc1nc(SCCOc2ccc(Cl)cc2Cl)n[nH]1 ZINC000011658754 563543497 /nfs/dbraw/zinc/54/34/97/563543497.db2.gz GAVCAGVYRFCHCV-UHFFFAOYSA-N 0 0 304.202 3.591 50 0 DHAARN Cc1ccc(-n2nnnc2C=CNc2ccc(Cl)cc2)cc1 ZINC000100209612 563547884 /nfs/dbraw/zinc/54/78/84/563547884.db2.gz GBHWRTFWGVYJSS-KHPPLWFESA-N 0 0 311.776 3.707 50 0 DHAARN O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000100576339 563551867 /nfs/dbraw/zinc/55/18/67/563551867.db2.gz AIALJBGWBQPRBW-LBPRGKRZSA-N 0 0 317.747 3.601 50 0 DHAARN CC(C)Oc1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000101322071 563556873 /nfs/dbraw/zinc/55/68/73/563556873.db2.gz ZBMZDPIDKIKRMM-INIZCTEOSA-N 0 0 323.392 3.596 50 0 DHAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccoc2)cc1 ZINC000102506653 563559524 /nfs/dbraw/zinc/55/95/24/563559524.db2.gz WKSGJOULNMFPAA-BJWYYQGGSA-N 0 0 311.381 3.839 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000014268678 563565483 /nfs/dbraw/zinc/56/54/83/563565483.db2.gz ZWIXYBXQDDPXMN-LLVKDONJSA-N 0 0 304.777 3.867 50 0 DHAARN Cc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(C)cc1)=N2 ZINC000100131717 563565581 /nfs/dbraw/zinc/56/55/81/563565581.db2.gz CWUSRBONXABKAK-GOSISDBHSA-N 0 0 302.381 3.951 50 0 DHAARN c1ccc(Cn2c3ccccc3c3c2-c2nonc2CC3)cc1 ZINC000000102095 563566864 /nfs/dbraw/zinc/56/68/64/563566864.db2.gz WHMDSTSMZBRAOK-UHFFFAOYSA-N 0 0 301.349 3.838 50 0 DHAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1O ZINC000011679707 563571039 /nfs/dbraw/zinc/57/10/39/563571039.db2.gz OJBYCJPSHIGCJN-UHFFFAOYSA-N 0 0 308.337 3.619 50 0 DHAARN Cc1ccc(-c2nnc(N3CCOCC3)c3ccccc32)cc1C ZINC000000137414 563572510 /nfs/dbraw/zinc/57/25/10/563572510.db2.gz JTJCGNKWAJDBBJ-UHFFFAOYSA-N 0 0 319.408 3.750 50 0 DHAARN OCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc21 ZINC000000186889 563576566 /nfs/dbraw/zinc/57/65/66/563576566.db2.gz TZCZMUCSIVXMCC-UHFFFAOYSA-N 0 0 311.772 3.602 50 0 biogenic DHAARN Cc1ccc(-n2c(SC(C)C)nc3c(c2=O)SCC3)cc1 ZINC000000213954 563578770 /nfs/dbraw/zinc/57/87/70/563578770.db2.gz MFLYIQBCDCUCHO-UHFFFAOYSA-N 0 0 318.467 3.690 50 0 DHAARN O=C(CCn1c2ccccc2oc1=S)Nc1cccc(O)c1 ZINC000000223757 563579538 /nfs/dbraw/zinc/57/95/38/563579538.db2.gz SUNNMCQTMZRKQQ-UHFFFAOYSA-N 0 0 314.366 3.698 50 0 DHAARN O=S(=O)(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000225785 563579804 /nfs/dbraw/zinc/57/98/04/563579804.db2.gz HSXJFDQKXAKXKF-UHFFFAOYSA-N 0 0 301.194 3.967 50 0 DHAARN Nc1ccc(C(=O)Nc2cc(N)ccc2Nc2ccccc2)cc1 ZINC000000236213 563580223 /nfs/dbraw/zinc/58/02/23/563580223.db2.gz LMTKFXYBVSLHEZ-UHFFFAOYSA-N 0 0 318.380 3.847 50 0 DHAARN CSc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 ZINC000055747946 563580260 /nfs/dbraw/zinc/58/02/60/563580260.db2.gz KAYGKVJUTJXFTJ-UHFFFAOYSA-N 0 0 323.364 3.940 50 0 DHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccs1 ZINC000000247412 563581700 /nfs/dbraw/zinc/58/17/00/563581700.db2.gz PZOGIWMIURSOPF-UHFFFAOYSA-N 0 0 309.412 3.855 50 0 DHAARN CCN(Cc1ccccc1)C(=O)Cn1cc(C=O)c2ccccc21 ZINC000000264073 563583724 /nfs/dbraw/zinc/58/37/24/563583724.db2.gz JGEGYSXCIJJOHC-UHFFFAOYSA-N 0 0 320.392 3.503 50 0 DHAARN Cc1ccccc1Nc1nc2ccccc2c(N2CCOCC2)n1 ZINC000000279947 563584087 /nfs/dbraw/zinc/58/40/87/563584087.db2.gz STONFGMODUUDFU-UHFFFAOYSA-N 0 0 320.396 3.518 50 0 DHAARN O=C(CN1CCCCC1)N1c2ccccc2CCc2ccccc21 ZINC000000267888 563584286 /nfs/dbraw/zinc/58/42/86/563584286.db2.gz NFZCLBTZYVJDML-UHFFFAOYSA-N 0 0 320.436 3.936 50 0 DHAARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1cccnc1 ZINC000000287051 563585402 /nfs/dbraw/zinc/58/54/02/563585402.db2.gz RZSGJPAOJCLIKG-UHFFFAOYSA-N 0 0 311.128 3.551 50 0 DHAARN COc1c(C)cnc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1C ZINC000050448718 563587650 /nfs/dbraw/zinc/58/76/50/563587650.db2.gz LRJBFQZFERFCJE-GDBMZVCRSA-N 0 0 316.445 3.562 50 0 DHAARN CCOc1ccc(-c2ccc(C)c(NC(=O)CC(C)C)c2)nn1 ZINC000011694193 563589573 /nfs/dbraw/zinc/58/95/73/563589573.db2.gz BKCZIGJRZOTMBV-UHFFFAOYSA-N 0 0 313.401 3.835 50 0 DHAARN CCn1nccc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000011696016 563590020 /nfs/dbraw/zinc/59/00/20/563590020.db2.gz KSCNTHGMBVWXQK-UHFFFAOYSA-N 0 0 307.353 3.948 50 0 DHAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C/c1ccco1 ZINC000000359253 563590056 /nfs/dbraw/zinc/59/00/56/563590056.db2.gz NHTUWSFVRRFNRD-KPKJPENVSA-N 0 0 308.120 3.931 50 0 DHAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccco1 ZINC000000359254 563590118 /nfs/dbraw/zinc/59/01/18/563590118.db2.gz NHTUWSFVRRFNRD-GHXNOFRVSA-N 0 0 308.120 3.931 50 0 DHAARN C[C@@H]1C(=O)O[C@@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O ZINC000000351343 563590206 /nfs/dbraw/zinc/59/02/06/563590206.db2.gz XQENWXGXIYCFMK-MADCSZMMSA-N 0 0 301.169 3.823 50 0 DHAARN O=C1NC(c2ccco2)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000000365365 563590677 /nfs/dbraw/zinc/59/06/77/563590677.db2.gz WMSGBXLVIUMRHR-IZZDOVSWSA-N 0 0 307.136 3.504 50 0 DHAARN CCOC(=O)c1c(=O)[nH]c2ccc(C)cc2c1-c1ccccc1 ZINC000000381255 563591454 /nfs/dbraw/zinc/59/14/54/563591454.db2.gz BJSLGRLGVMDYOZ-UHFFFAOYSA-N 0 0 307.349 3.680 50 0 DHAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cn2ccccc2n1 ZINC000004902628 563592807 /nfs/dbraw/zinc/59/28/07/563592807.db2.gz VUEPIJYUGLANRY-UHFFFAOYSA-N 0 0 320.396 3.577 50 0 DHAARN Cn1c2ccc(F)cc2s/c1=N/C(=O)c1ccccc1Cl ZINC000011852994 563599975 /nfs/dbraw/zinc/59/99/75/563599975.db2.gz PECOXIXIFRWEIE-OBGWFSINSA-N 0 0 320.776 3.773 50 0 DHAARN COc1ccc2c(c1)oc(N)c(-c1ccc(Cl)cc1)c2=O ZINC000011865164 563600686 /nfs/dbraw/zinc/60/06/86/563600686.db2.gz HQRILVAFKOYQMY-UHFFFAOYSA-N 0 0 301.729 3.704 50 0 DHAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000011916011 563601268 /nfs/dbraw/zinc/60/12/68/563601268.db2.gz OHCYBSPCQQIOQE-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN COc1c(C)cnc(CNC(=O)c2sccc2C2CC2)c1C ZINC000050770109 563605345 /nfs/dbraw/zinc/60/53/45/563605345.db2.gz GLHDSNJZGLEICN-UHFFFAOYSA-N 0 0 316.426 3.576 50 0 DHAARN Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(N)=O)c1 ZINC000000197531 563609908 /nfs/dbraw/zinc/60/99/08/563609908.db2.gz KUJMCWJYDQTENZ-JZJYNLBNSA-N 0 0 312.756 3.726 50 0 DHAARN COc1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1 ZINC000000425900 563613246 /nfs/dbraw/zinc/61/32/46/563613246.db2.gz MCHYJOGZTBRGAO-UHFFFAOYSA-N 0 0 312.394 3.907 50 0 DHAARN COc1ccccc1/C=C/C=C1/N=C(c2ccc(C)cc2)OC1=O ZINC000000430157 563613869 /nfs/dbraw/zinc/61/38/69/563613869.db2.gz WXDUPNXLGDHPAL-NQLWTVTNSA-N 0 0 319.360 3.904 50 0 DHAARN COC(=O)Nc1cc(NC(=O)c2ccccc2Cl)ccc1F ZINC000066489584 563614502 /nfs/dbraw/zinc/61/45/02/563614502.db2.gz DKWMGBIYVLVPPJ-UHFFFAOYSA-N 0 0 322.723 3.910 50 0 DHAARN Cc1cc(CN(C)C(=O)N[C@H](C)c2ccc(Cl)s2)no1 ZINC000046597932 563614593 /nfs/dbraw/zinc/61/45/93/563614593.db2.gz ZWTSULKAXHPTDY-SECBINFHSA-N 0 0 313.810 3.601 50 0 DHAARN Cc1cc(-c2ccccc2)c2c(=O)n(-c3ccccc3)nc-2[nH]1 ZINC000000450127 563615744 /nfs/dbraw/zinc/61/57/44/563615744.db2.gz SAWWNUZFWJQRKX-UHFFFAOYSA-N 0 0 301.349 3.689 50 0 DHAARN c1ccc(-c2nnc(CCc3nc(C4CCCCC4)no3)o2)cc1 ZINC000171795355 563616060 /nfs/dbraw/zinc/61/60/60/563616060.db2.gz RBSYCXHXJBGBPB-UHFFFAOYSA-N 0 0 324.384 3.953 50 0 DHAARN CC(C)c1nc([C@@H]2CCCN2c2ncnc3sccc32)no1 ZINC000075573022 563616807 /nfs/dbraw/zinc/61/68/07/563616807.db2.gz XVDPLEUJDHVAHE-NSHDSACASA-N 0 0 315.402 3.539 50 0 DHAARN O=C(CC1CCC(c2ccccc2)CC1)NC1CCOCC1 ZINC000078666215 563617530 /nfs/dbraw/zinc/61/75/30/563617530.db2.gz IGJXCXKTXJDPMD-UHFFFAOYSA-N 0 0 301.430 3.646 50 0 DHAARN Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1C ZINC000002635875 563621453 /nfs/dbraw/zinc/62/14/53/563621453.db2.gz QOYGFGJRVUQHRM-UHFFFAOYSA-N 0 0 311.410 3.911 50 0 DHAARN COc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000003148073 563622225 /nfs/dbraw/zinc/62/22/25/563622225.db2.gz YZZLGIBTNUXKKJ-UHFFFAOYSA-N 0 0 312.369 3.542 50 0 DHAARN O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(F)cc1 ZINC000003230628 563622257 /nfs/dbraw/zinc/62/22/57/563622257.db2.gz LKCQZAPXCCELSP-AATRIKPKSA-N 0 0 321.764 3.840 50 0 DHAARN CCN(CC)C(=S)N=P(N(C)C)(N(C)C)C(C)(C)C ZINC000005578324 563623527 /nfs/dbraw/zinc/62/35/27/563623527.db2.gz JIYBKTYJOXTDOI-UHFFFAOYSA-N 0 0 306.460 3.566 50 0 DHAARN NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000473683 563624810 /nfs/dbraw/zinc/62/48/10/563624810.db2.gz ACAANPJJYOEEHK-UHFFFAOYSA-N 0 0 324.167 3.736 50 0 DHAARN CSc1cccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000274243513 563626441 /nfs/dbraw/zinc/62/64/41/563626441.db2.gz XPHRWJXIYPZTDU-DZGCQCFKSA-N 0 0 320.458 3.796 50 0 DHAARN COC(=O)[C@H](NCc1cccnc1C)c1ccc2ccccc2c1 ZINC000154675363 563626505 /nfs/dbraw/zinc/62/65/05/563626505.db2.gz HCKYPRIILHRBSX-LJQANCHMSA-N 0 0 320.392 3.547 50 0 DHAARN CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000017367812 563627221 /nfs/dbraw/zinc/62/72/21/563627221.db2.gz ABCRLFIUPHPFOU-UHFFFAOYSA-N 0 0 322.408 3.567 50 0 DHAARN O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000000102310 563627779 /nfs/dbraw/zinc/62/77/79/563627779.db2.gz RDNUSPVWEHYKSQ-UHFFFAOYSA-N 0 0 323.417 3.755 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000000048085 563628087 /nfs/dbraw/zinc/62/80/87/563628087.db2.gz ZBTPPOVWADKSEA-UHFFFAOYSA-N 0 0 309.321 3.862 50 0 DHAARN Nc1ccc(Cl)cc1C(=O)NCCc1ccc(Cl)cc1 ZINC000000167458 563628191 /nfs/dbraw/zinc/62/81/91/563628191.db2.gz IVHDKEDQFRMLLT-UHFFFAOYSA-N 0 0 309.196 3.548 50 0 DHAARN CCOC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000000279049 563629336 /nfs/dbraw/zinc/62/93/36/563629336.db2.gz FDPLJSZYGQPCAR-NSHDSACASA-N 0 0 316.228 3.769 50 0 DHAARN COc1cc(OC)c(NC(=O)c2ccc(F)cc2)cc1Cl ZINC000000363198 563629803 /nfs/dbraw/zinc/62/98/03/563629803.db2.gz WHDZFTOBWVWLPM-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1 ZINC000000450102 563630323 /nfs/dbraw/zinc/63/03/23/563630323.db2.gz YTKRDKQFHQGHDT-UHFFFAOYSA-N 0 0 305.830 3.890 50 0 DHAARN CCOc1cc(C(=O)NC2CCCC2)cc(OCC)c1OCC ZINC000000445087 563630371 /nfs/dbraw/zinc/63/03/71/563630371.db2.gz HHUDTRSFNRNXKT-UHFFFAOYSA-N 0 0 321.417 3.555 50 0 DHAARN C[C@H](NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000000405619 563630462 /nfs/dbraw/zinc/63/04/62/563630462.db2.gz FYYCWPDVKTYDAZ-AWEZNQCLSA-N 0 0 311.406 3.879 50 0 DHAARN C[C@@H](NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000000405620 563630466 /nfs/dbraw/zinc/63/04/66/563630466.db2.gz FYYCWPDVKTYDAZ-CQSZACIVSA-N 0 0 311.406 3.879 50 0 DHAARN S=C1N=NC(c2ccc3ccccc3n2)N1c1ccccc1 ZINC000000467788 563630727 /nfs/dbraw/zinc/63/07/27/563630727.db2.gz PVOBXNIUEKHZNS-UHFFFAOYSA-N 0 0 304.378 3.771 50 0 DHAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000000561725 563631239 /nfs/dbraw/zinc/63/12/39/563631239.db2.gz HCXYPQVXDNGXDZ-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN CCOC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000001431485 563633836 /nfs/dbraw/zinc/63/38/36/563633836.db2.gz SXJGDDBUDGNAEH-UHFFFAOYSA-N 0 0 302.305 3.646 50 0 DHAARN COc1ccc(OCCCC(=O)N(C)Cc2ccccc2)cc1 ZINC000001778221 563634362 /nfs/dbraw/zinc/63/43/62/563634362.db2.gz HJRUIZUCTJXXIS-UHFFFAOYSA-N 0 0 313.397 3.513 50 0 DHAARN O=C(CN1CCCCCC1)Nc1c(Cl)cccc1Cl ZINC000006742130 563638429 /nfs/dbraw/zinc/63/84/29/563638429.db2.gz JRNHYWQKQLEFJI-UHFFFAOYSA-N 0 0 301.217 3.808 50 0 DHAARN Fc1cc(Cl)ccc1CNc1cnn(Cc2ccccn2)c1 ZINC000189310388 563638574 /nfs/dbraw/zinc/63/85/74/563638574.db2.gz QAEUMICWAXMHAR-UHFFFAOYSA-N 0 0 316.767 3.731 50 0 DHAARN O=C(Oc1cc2sc(=O)oc2cc1Cl)c1ccccc1 ZINC000003155594 563639777 /nfs/dbraw/zinc/63/97/77/563639777.db2.gz UIADENTVXDHEEZ-UHFFFAOYSA-N 0 0 306.726 3.727 50 0 DHAARN Cc1cccc(CC(=O)N2CCS[C@@H](c3ccco3)CC2)c1 ZINC000207007889 563643467 /nfs/dbraw/zinc/64/34/67/563643467.db2.gz QPDHKSBWXPOCFW-QGZVFWFLSA-N 0 0 315.438 3.837 50 0 DHAARN C[C@@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000000483242 563645483 /nfs/dbraw/zinc/64/54/83/563645483.db2.gz GBBHOHINGZDKIB-UVMWJGKXSA-N 0 0 308.219 3.721 50 0 DHAARN CC(=O)Nc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1C ZINC000012843517 563654030 /nfs/dbraw/zinc/65/40/30/563654030.db2.gz PLTWVYGQKRHZKF-UHFFFAOYSA-N 0 0 316.788 3.788 50 0 DHAARN COc1ccc2cc(CN3C[C@@H](C)O[C@@H](C)C3)c(Cl)nc2c1 ZINC000012978589 563654504 /nfs/dbraw/zinc/65/45/04/563654504.db2.gz YPVROUROFZGRLL-TXEJJXNPSA-N 0 0 320.820 3.506 50 0 DHAARN O=C(C[C@H](c1ccccc1)c1ccccc1O)N1CCCCC1 ZINC000000521580 563664161 /nfs/dbraw/zinc/66/41/61/563664161.db2.gz ALVVMUBVGMUFLS-GOSISDBHSA-N 0 0 309.409 3.927 50 0 DHAARN CCOc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000000530168 563665173 /nfs/dbraw/zinc/66/51/73/563665173.db2.gz WZROQQQMEKDVDC-ROUUACIJSA-N 0 0 320.396 3.823 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC[C@@H](C)C2)c(C)c1 ZINC000000529400 563665262 /nfs/dbraw/zinc/66/52/62/563665262.db2.gz CLQVVBPDAXJGBV-CQSZACIVSA-N 0 0 321.428 3.669 50 0 in-vivo DHAARN CC(C)(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000000535922 563667087 /nfs/dbraw/zinc/66/70/87/563667087.db2.gz BUGYNSHIBQDBCH-UHFFFAOYSA-N 0 0 313.788 3.881 50 0 DHAARN CC(C)c1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 ZINC000000537321 563667336 /nfs/dbraw/zinc/66/73/36/563667336.db2.gz GUTNLQBCPDTTSC-FQEVSTJZSA-N 0 0 323.392 3.920 50 0 DHAARN Cc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cccc(C)c21 ZINC000000547353 563669466 /nfs/dbraw/zinc/66/94/66/563669466.db2.gz GVYWGZGIXHEQKM-UHFFFAOYSA-N 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3.722 50 0 DHAARN O=C(NCCCc1ccccc1)c1cc(-c2cccs2)n[nH]1 ZINC000051315988 563675201 /nfs/dbraw/zinc/67/52/01/563675201.db2.gz SCUHSPPEQCPDHB-UHFFFAOYSA-N 0 0 311.410 3.501 50 0 DHAARN CC(C)c1ccc([C@H](C)NS(=O)(=O)c2ccccc2)cc1 ZINC000017030985 563675809 /nfs/dbraw/zinc/67/58/09/563675809.db2.gz PUNLISODXFSFIZ-AWEZNQCLSA-N 0 0 303.427 3.850 50 0 DHAARN COC(=O)c1c(NCc2ccccc2)onc1-c1ccccc1 ZINC000046914718 563678067 /nfs/dbraw/zinc/67/80/67/563678067.db2.gz GZTJRTANALKPMY-UHFFFAOYSA-N 0 0 308.337 3.740 50 0 DHAARN C[C@@H](Cc1cccs1)NC(=O)c1ccccc1Br ZINC000003211552 563680420 /nfs/dbraw/zinc/68/04/20/563680420.db2.gz MHBQEYVCDVIZNI-JTQLQIEISA-N 0 0 324.243 3.872 50 0 DHAARN CCOC(=O)c1cccc(NCc2cc3ccccc3n2C)c1 ZINC000044857395 563685208 /nfs/dbraw/zinc/68/52/08/563685208.db2.gz UOTHFTWKZZBOOL-UHFFFAOYSA-N 0 0 308.381 3.967 50 0 DHAARN C=Cc1ccc(Cn2nc(-c3ccccc3OC)ccc2=O)cc1 ZINC000044902022 563686151 /nfs/dbraw/zinc/68/61/51/563686151.db2.gz FSNGMPQDLQCUAY-UHFFFAOYSA-N 0 0 318.376 3.610 50 0 DHAARN C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1ccccn1 ZINC000044892314 563686168 /nfs/dbraw/zinc/68/61/68/563686168.db2.gz JOGWAPPOUGUULJ-GXTWGEPZSA-N 0 0 301.415 3.751 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2)cc1F ZINC000044892606 563686171 /nfs/dbraw/zinc/68/61/71/563686171.db2.gz IGHNQHJDBQQLJF-CYBMUJFWSA-N 0 0 316.376 3.737 50 0 DHAARN CSc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000044918868 563686778 /nfs/dbraw/zinc/68/67/78/563686778.db2.gz YSSMQAPLIVDTFW-UHFFFAOYSA-N 0 0 308.406 3.681 50 0 DHAARN CCCCc1nc(C)c(C(=O)N[C@@H](C)c2ccncc2)s1 ZINC000044935070 563687144 /nfs/dbraw/zinc/68/71/44/563687144.db2.gz UGQKSHUKIMFYGO-NSHDSACASA-N 0 0 303.431 3.680 50 0 DHAARN COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OC ZINC000051354084 563688669 /nfs/dbraw/zinc/68/86/69/563688669.db2.gz PAUMZSOTGXCVBM-UHFFFAOYSA-N 0 0 308.284 3.626 50 0 DHAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Cl)cn1C ZINC000045250006 563688783 /nfs/dbraw/zinc/68/87/83/563688783.db2.gz GYILHUPDKPJXRK-LLVKDONJSA-N 0 0 306.793 3.520 50 0 DHAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CCC(C)C ZINC000045483246 563689113 /nfs/dbraw/zinc/68/91/13/563689113.db2.gz CSEMFDWCLCHXHO-UHFFFAOYSA-N 0 0 300.402 3.697 50 0 DHAARN CCc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000045382893 563689503 /nfs/dbraw/zinc/68/95/03/563689503.db2.gz NCPXRGQMDJBQLV-CYBMUJFWSA-N 0 0 313.397 3.757 50 0 DHAARN Cc1cccc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)c1 ZINC000046018171 563691772 /nfs/dbraw/zinc/69/17/72/563691772.db2.gz MPRGDIFPQOREAI-SFHVURJKSA-N 0 0 315.438 3.662 50 0 DHAARN COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 ZINC000047710665 563692530 /nfs/dbraw/zinc/69/25/30/563692530.db2.gz LGTMOUFWAAKDJD-GFCCVEGCSA-N 0 0 313.357 3.748 50 0 DHAARN CCCCOc1ccc(OC)cc1NC(=O)NCc1ccoc1 ZINC000047841193 563692556 /nfs/dbraw/zinc/69/25/56/563692556.db2.gz CJXIHLQSAWIFFC-UHFFFAOYSA-N 0 0 318.373 3.789 50 0 DHAARN CCCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000048020406 563692868 /nfs/dbraw/zinc/69/28/68/563692868.db2.gz HNYYUHRAROFXIY-CYBMUJFWSA-N 0 0 304.390 3.517 50 0 DHAARN C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccncc1 ZINC000048231619 563694302 /nfs/dbraw/zinc/69/43/02/563694302.db2.gz OTJJLAACAUJVJH-SNVBAGLBSA-N 0 0 308.353 3.887 50 0 DHAARN C[C@H](NC(=O)NCCCN(C)c1ccccc1)c1ccccc1 ZINC000048324747 563696296 /nfs/dbraw/zinc/69/62/96/563696296.db2.gz WBURABSLCDDJIT-INIZCTEOSA-N 0 0 311.429 3.573 50 0 DHAARN CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@@H](C)CC)cc1 ZINC000048324604 563696311 /nfs/dbraw/zinc/69/63/11/563696311.db2.gz YPPKPIZURXQWGF-KBPBESRZSA-N 0 0 305.418 3.599 50 0 DHAARN Cc1ccc(C)c(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000048326220 563696354 /nfs/dbraw/zinc/69/63/54/563696354.db2.gz UMTWLNMRYLNKJM-HNNXBMFYSA-N 0 0 314.404 3.902 50 0 DHAARN CCOc1cccc(CNC(=O)CCCc2cccs2)c1 ZINC000048333731 563696391 /nfs/dbraw/zinc/69/63/91/563696391.db2.gz FMAHRXFQASIJRQ-UHFFFAOYSA-N 0 0 303.427 3.786 50 0 DHAARN CCCc1sc(C(=O)Nc2ccccc2C(N)=O)cc1CC ZINC000048333174 563696457 /nfs/dbraw/zinc/69/64/57/563696457.db2.gz PCJKWUJBEDMHMG-UHFFFAOYSA-N 0 0 316.426 3.614 50 0 DHAARN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 ZINC000048346815 563697051 /nfs/dbraw/zinc/69/70/51/563697051.db2.gz BTYKPCQVESKOKG-DOMZBBRYSA-N 0 0 311.385 3.995 50 0 DHAARN Cc1cc(NC(=O)CCc2ccc(Cl)cc2Cl)n(C)n1 ZINC000048354852 563697482 /nfs/dbraw/zinc/69/74/82/563697482.db2.gz TXOVCMSBXYYTFQ-UHFFFAOYSA-N 0 0 312.200 3.607 50 0 DHAARN CC(C)n1nccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000048362761 563697592 /nfs/dbraw/zinc/69/75/92/563697592.db2.gz CZFDUXMCJPCLHC-UHFFFAOYSA-N 0 0 321.808 3.915 50 0 DHAARN Nc1nc(Cl)cc(Oc2ccc(Cl)c3cccnc23)n1 ZINC000048545466 563699232 /nfs/dbraw/zinc/69/92/32/563699232.db2.gz LRQSPGZTSQYTLU-UHFFFAOYSA-N 0 0 307.140 3.706 50 0 DHAARN Fc1ccc(F)c(CNCc2cn3cc(Cl)ccc3n2)c1 ZINC000048710966 563699687 /nfs/dbraw/zinc/69/96/87/563699687.db2.gz SSESPQXDZHQPHX-UHFFFAOYSA-N 0 0 307.731 3.556 50 0 DHAARN COCCCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048696160 563700008 /nfs/dbraw/zinc/70/00/08/563700008.db2.gz LKOHAYMDGRITFJ-UHFFFAOYSA-N 0 0 310.703 3.517 50 0 DHAARN CC(C)(C)CC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000048936550 563700347 /nfs/dbraw/zinc/70/03/47/563700347.db2.gz LSKRSPHYAZJYHY-UHFFFAOYSA-N 0 0 303.450 3.514 50 0 DHAARN Cc1ccccc1OCCN(C)c1ncnc2cc(F)ccc21 ZINC000049590296 563702530 /nfs/dbraw/zinc/70/25/30/563702530.db2.gz MUUKYRKKDVUSSL-UHFFFAOYSA-N 0 0 311.360 3.593 50 0 DHAARN Cc1c(C(=O)NC2(c3ccccc3)CCC2)oc2c1C(=O)CCC2 ZINC000049618104 563702542 /nfs/dbraw/zinc/70/25/42/563702542.db2.gz ROLQCKVWBSHLJF-UHFFFAOYSA-N 0 0 323.392 3.916 50 0 DHAARN O=C(c1ccc2c(c1)CCO2)N1CCCCC[C@@H]1c1ccncc1 ZINC000049765886 563702588 /nfs/dbraw/zinc/70/25/88/563702588.db2.gz ZJYBOGARLQZESB-GOSISDBHSA-N 0 0 322.408 3.774 50 0 DHAARN COc1ccc(CC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000049764302 563702618 /nfs/dbraw/zinc/70/26/18/563702618.db2.gz PLGDNSFLNFZUGD-LJQANCHMSA-N 0 0 324.424 3.777 50 0 DHAARN CCn1ccc2ccc(CN3CCO[C@@H](c4cccnc4)C3)cc21 ZINC000215219949 563704376 /nfs/dbraw/zinc/70/43/76/563704376.db2.gz LNROBEALQUYUAR-HXUWFJFHSA-N 0 0 321.424 3.630 50 0 DHAARN CC(=O)c1cc(CN(C)Cc2c(C)nc3ccccn32)cs1 ZINC000215511754 563706243 /nfs/dbraw/zinc/70/62/43/563706243.db2.gz FBIPRRBAHGRISK-UHFFFAOYSA-N 0 0 313.426 3.539 50 0 DHAARN c1coc(COc2ccccc2-c2nnn(-c3ccccc3)n2)c1 ZINC000000386626 563706908 /nfs/dbraw/zinc/70/69/08/563706908.db2.gz SEBHGPQMDPTLAQ-UHFFFAOYSA-N 0 0 318.336 3.501 50 0 in-vitro DHAARN Cc1sc2c(c1C)CSC(C(=O)Oc1cccnc1)=C2 ZINC000006900214 563708109 /nfs/dbraw/zinc/70/81/09/563708109.db2.gz NHWQWHRAKNMVQX-UHFFFAOYSA-N 0 0 303.408 3.953 50 0 DHAARN CCn1ccc(C(=O)N(Cc2ccc(C)s2)C2CCCC2)n1 ZINC000216168012 563708278 /nfs/dbraw/zinc/70/82/78/563708278.db2.gz JFSDKBITEHCWBA-UHFFFAOYSA-N 0 0 317.458 3.858 50 0 DHAARN CCCN(CCOC)C(=O)c1c(C)nccc1-c1ccccc1 ZINC000216256869 563708432 /nfs/dbraw/zinc/70/84/32/563708432.db2.gz ODHKXSFMFMEMDK-UHFFFAOYSA-N 0 0 312.413 3.556 50 0 DHAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000006942558 563709714 /nfs/dbraw/zinc/70/97/14/563709714.db2.gz RGEHBJKACCLZFX-UHFFFAOYSA-N 0 0 323.371 3.878 50 0 DHAARN O=c1oc2ccccc2n1CCOc1cccc2ccccc21 ZINC000000798153 563716633 /nfs/dbraw/zinc/71/66/33/563716633.db2.gz SSBUVRGFNCPFJC-UHFFFAOYSA-N 0 0 305.333 3.827 50 0 DHAARN c1ccc2cc(Cc3nnc(NCc4cccnc4)o3)ccc2c1 ZINC000181952530 563716806 /nfs/dbraw/zinc/71/68/06/563716806.db2.gz XJQYTSXEHFOQFN-UHFFFAOYSA-N 0 0 316.364 3.821 50 0 DHAARN Cc1ncsc1CCCNC(=O)c1ccc(Cl)s1 ZINC000218831972 563717762 /nfs/dbraw/zinc/71/77/62/563717762.db2.gz FMBQWRCTCDRBSW-UHFFFAOYSA-N 0 0 300.836 3.529 50 0 DHAARN CN(Cc1nc2ccccc2s1)C(=O)Cc1cccs1 ZINC000008244065 563719962 /nfs/dbraw/zinc/71/99/62/563719962.db2.gz ZTTJSVGZWXMMPM-UHFFFAOYSA-N 0 0 302.424 3.559 50 0 DHAARN O=C(NCc1cccc(Cl)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000008274055 563720325 /nfs/dbraw/zinc/72/03/25/563720325.db2.gz AUNQXNSJMLPRAP-OAHLLOKOSA-N 0 0 322.191 3.613 50 0 DHAARN CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1 ZINC000008289251 563720811 /nfs/dbraw/zinc/72/08/11/563720811.db2.gz QVFCGKOKXRDUHB-UHFFFAOYSA-N 0 0 315.344 3.826 50 0 DHAARN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ncncc1Cl ZINC000221930237 563724197 /nfs/dbraw/zinc/72/41/97/563724197.db2.gz GCBPSWZRRPSZDC-BZPMIXESSA-N 0 0 315.804 3.537 50 0 DHAARN O=C(NCCCc1ccccn1)c1ccc(-c2ccco2)cc1 ZINC000222436112 563725100 /nfs/dbraw/zinc/72/51/00/563725100.db2.gz MFERVHJFMNEZJU-UHFFFAOYSA-N 0 0 306.365 3.704 50 0 DHAARN Fc1ccc(-c2nnc3sc(/C=C\c4ccco4)nn32)cc1 ZINC000033532472 563725161 /nfs/dbraw/zinc/72/51/61/563725161.db2.gz GACDZCGOKUFFMK-FPLPWBNLSA-N 0 0 312.329 3.755 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)no1 ZINC000222322828 563725257 /nfs/dbraw/zinc/72/52/57/563725257.db2.gz AHENUROAOYEBSQ-HNNXBMFYSA-N 0 0 324.384 3.652 50 0 DHAARN CCN(C[C@H]1CCCCO1)C(=O)CCc1ccccc1Cl ZINC000222728439 563728039 /nfs/dbraw/zinc/72/80/39/563728039.db2.gz XXEWNNMIKSIVBV-OAHLLOKOSA-N 0 0 309.837 3.690 50 0 DHAARN O=C(NCc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CC12CCC2 ZINC000222831414 563728607 /nfs/dbraw/zinc/72/86/07/563728607.db2.gz VKUWMYUILXYDBK-ZDUSSCGKSA-N 0 0 316.401 3.756 50 0 DHAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc2sccc2[nH]1 ZINC000222905388 563729329 /nfs/dbraw/zinc/72/93/29/563729329.db2.gz NPXZDOSMCVHKKF-CYBMUJFWSA-N 0 0 315.398 3.812 50 0 DHAARN CC(C)C[C@H](NC(=O)CCOc1ccccc1)c1cccnc1 ZINC000223483241 563734255 /nfs/dbraw/zinc/73/42/55/563734255.db2.gz HWXPKAMIFMQBHE-SFHVURJKSA-N 0 0 312.413 3.754 50 0 DHAARN C[C@H](NC(=O)c1ccc(-c2ccco2)cc1)c1nc(C2CC2)no1 ZINC000223844353 563737262 /nfs/dbraw/zinc/73/72/62/563737262.db2.gz LTOLANXUESLHCS-NSHDSACASA-N 0 0 323.352 3.698 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000027862809 563740710 /nfs/dbraw/zinc/74/07/10/563740710.db2.gz GMKMABCDDIEAFN-ZFWWWQNUSA-N 0 0 324.346 3.948 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2cccc3nnsc32)c2ccccc21 ZINC000601014212 563742775 /nfs/dbraw/zinc/74/27/75/563742775.db2.gz BLAXMWQFADQFST-SNVBAGLBSA-N 0 0 310.382 3.847 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1OC1CCC1 ZINC000225398019 563753789 /nfs/dbraw/zinc/75/37/89/563753789.db2.gz 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/nfs/dbraw/zinc/77/29/24/563772924.db2.gz FSITZTHWJZGCQW-UHFFFAOYSA-N 0 0 307.608 3.596 50 0 DHAARN CCS[C@@H]1CCC[C@H]1Nc1ccncc1Br ZINC000229549684 563772933 /nfs/dbraw/zinc/77/29/33/563772933.db2.gz HPEAAZIHQAZVMS-VXGBXAGGSA-N 0 0 301.253 3.930 50 0 DHAARN CC(C)CCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1 ZINC000012422171 563774119 /nfs/dbraw/zinc/77/41/19/563774119.db2.gz MWPAQYVNCLQFQO-UHFFFAOYSA-N 0 0 306.793 3.700 50 0 DHAARN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000240333457 563776798 /nfs/dbraw/zinc/77/67/98/563776798.db2.gz FDIMLHUTLURQAV-STQMWFEESA-N 0 0 324.409 3.584 50 0 DHAARN COc1ccc(NC(=O)Nc2nn(C)cc2-c2ccccc2)cc1 ZINC000241588333 563777211 /nfs/dbraw/zinc/77/72/11/563777211.db2.gz PCAOJILQQZIHKQ-UHFFFAOYSA-N 0 0 322.368 3.740 50 0 DHAARN Cc1nc2ccccc2c(C)c1C(=O)N[C@H](C)c1nccs1 ZINC000241588439 563777454 /nfs/dbraw/zinc/77/74/54/563777454.db2.gz PDDZMABVBVGAHW-GFCCVEGCSA-N 0 0 311.410 3.799 50 0 DHAARN Cc1cc(C(=O)N(C)[C@@H]2CCCc3cccnc32)c(C)n1C1CC1 ZINC000242140813 563778126 /nfs/dbraw/zinc/77/81/26/563778126.db2.gz WPLUCBVINCQFTD-GOSISDBHSA-N 0 0 323.440 3.984 50 0 DHAARN O=C(NCC1(c2ccccc2)CCCCC1)c1[nH]ncc1Cl ZINC000244816950 563780033 /nfs/dbraw/zinc/78/00/33/563780033.db2.gz SRQVCYCVDDEKAZ-UHFFFAOYSA-N 0 0 317.820 3.695 50 0 DHAARN CCn1nc(CN[C@@H](C)c2ccccc2)c(-c2ccccc2)n1 ZINC000249694309 563783460 /nfs/dbraw/zinc/78/34/60/563783460.db2.gz OWYKZCVTZVMDFC-HNNXBMFYSA-N 0 0 306.413 3.816 50 0 DHAARN Cc1n[nH]cc1CN(C)C(=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC000252482423 563783777 /nfs/dbraw/zinc/78/37/77/563783777.db2.gz DEYSSWJKOFAYDB-HXUWFJFHSA-N 0 0 323.440 3.579 50 0 DHAARN Cn1ccnc1-c1sc(NC(=O)C2CC2)nc1-c1ccccc1 ZINC000055454353 563784841 /nfs/dbraw/zinc/78/48/41/563784841.db2.gz YDIPWVUSONCUIW-UHFFFAOYSA-N 0 0 324.409 3.559 50 0 DHAARN Cc1cc(NC(=O)c2ccccc2Cl)cc2c1OCCO2 ZINC000000995535 563786395 /nfs/dbraw/zinc/78/63/95/563786395.db2.gz YJTOQUDNWFCPCP-UHFFFAOYSA-N 0 0 303.745 3.672 50 0 DHAARN c1nn(Cc2ccccc2)cc1CNc1nc2ccccc2o1 ZINC000052243981 563786989 /nfs/dbraw/zinc/78/69/89/563786989.db2.gz XZSKDRLOQJBFNM-UHFFFAOYSA-N 0 0 304.353 3.685 50 0 DHAARN CN(Cc1cc(Br)ccc1F)C(=O)OC(C)(C)C ZINC000382699377 563787531 /nfs/dbraw/zinc/78/75/31/563787531.db2.gz NDABKPSDKUPYRC-UHFFFAOYSA-N 0 0 318.186 3.955 50 0 DHAARN Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C)cc3O)c2)cs1 ZINC000052549299 563788401 /nfs/dbraw/zinc/78/84/01/563788401.db2.gz XLWVWDSNYBPBHF-UHFFFAOYSA-N 0 0 313.382 3.713 50 0 DHAARN Cc1ccc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000025453568 563789075 /nfs/dbraw/zinc/78/90/75/563789075.db2.gz CJGGGXPBPJATQY-IBGZPJMESA-N 0 0 324.424 3.973 50 0 DHAARN FC(F)(F)c1ccc([C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000182620024 563793662 /nfs/dbraw/zinc/79/36/62/563793662.db2.gz CQGJRNQLOIOJLE-INIZCTEOSA-N 0 0 322.330 3.674 50 0 DHAARN CCN(Cc1ccccc1)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000183921142 563795918 /nfs/dbraw/zinc/79/59/18/563795918.db2.gz GUCGRIHNCAWHRT-ZDUSSCGKSA-N 0 0 317.458 3.787 50 0 DHAARN C[C@H](Nc1ncnc2c1cnn2C)c1cccc2ccccc21 ZINC000012486046 563796785 /nfs/dbraw/zinc/79/67/85/563796785.db2.gz AOKWHLSOIKVKJO-LBPRGKRZSA-N 0 0 303.369 3.690 50 0 DHAARN Cc1cc(C(=O)CCC(=O)Nc2ccc(C)cn2)c(C)s1 ZINC000012523540 563797487 /nfs/dbraw/zinc/79/74/87/563797487.db2.gz LFIWMKWFFQJIKU-UHFFFAOYSA-N 0 0 302.399 3.670 50 0 DHAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(F)cc3)ccc2o1 ZINC000012532711 563798162 /nfs/dbraw/zinc/79/81/62/563798162.db2.gz KNPOWBQQEIENOX-SNVBAGLBSA-N 0 0 313.332 3.714 50 0 DHAARN CC(C)OP(=O)(OC(C)C)[C@H](O)C(Cl)(Cl)Cl ZINC000002042345 563798170 /nfs/dbraw/zinc/79/81/70/563798170.db2.gz HNUKMBJLNSBKON-ZETCQYMHSA-N 0 0 313.545 3.718 50 0 DHAARN Cc1sc2[nH]c([C@H](C)Sc3ccccn3)nc(=O)c2c1C ZINC000012532990 563798320 /nfs/dbraw/zinc/79/83/20/563798320.db2.gz PIZHUGCRTUNGAB-JTQLQIEISA-N 0 0 317.439 3.850 50 0 DHAARN c1oc(-c2ccccc2)nc1CN1CCN(c2ccccc2)CC1 ZINC000012534453 563798329 /nfs/dbraw/zinc/79/83/29/563798329.db2.gz YJLMHUBBYHISAU-UHFFFAOYSA-N 0 0 319.408 3.664 50 0 DHAARN C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccncc1 ZINC000012533792 563798542 /nfs/dbraw/zinc/79/85/42/563798542.db2.gz FNSFCHAHNWBZHR-CYBMUJFWSA-N 0 0 317.392 3.998 50 0 DHAARN O=C1NC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)S1 ZINC000003208046 563799324 /nfs/dbraw/zinc/79/93/24/563799324.db2.gz UKOAKDJZVZQHAH-KPKJPENVSA-N 0 0 305.742 3.924 50 0 DHAARN O=C(COC(=O)c1ccccc1Cl)NCCC1=CCCCC1 ZINC000003264490 563800454 /nfs/dbraw/zinc/80/04/54/563800454.db2.gz RMBCQZZEGVIHST-UHFFFAOYSA-N 0 0 321.804 3.504 50 0 DHAARN Cc1nc(SCC(=O)N[C@@H](C)C(C)C)n(C2CCCC2)c1C ZINC000012544284 563800717 /nfs/dbraw/zinc/80/07/17/563800717.db2.gz GHECXCKOXBHDCM-LBPRGKRZSA-N 0 0 323.506 3.868 50 0 DHAARN CSc1nc2ccccc2n1CC(=O)c1cc(C)n(C)c1C ZINC000012556893 563801078 /nfs/dbraw/zinc/80/10/78/563801078.db2.gz MHLNKPCOWXPLJK-UHFFFAOYSA-N 0 0 313.426 3.596 50 0 DHAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(N(C)C)cc1 ZINC000012556041 563801148 /nfs/dbraw/zinc/80/11/48/563801148.db2.gz QMLZFOSOWBFBBB-CQSZACIVSA-N 0 0 323.440 3.680 50 0 DHAARN COCCOc1ccc(NC(=O)NC2CCCCCC2)cc1 ZINC000044301393 563801777 /nfs/dbraw/zinc/80/17/77/563801777.db2.gz MUENJJDWYIHFDV-UHFFFAOYSA-N 0 0 306.406 3.556 50 0 DHAARN CC(C)c1cc(C(=O)N[C@@H](C)c2ccncc2)nn1C(C)(C)C ZINC000044313004 563802216 /nfs/dbraw/zinc/80/22/16/563802216.db2.gz DKAJLLPTHOGVKL-ZDUSSCGKSA-N 0 0 314.433 3.648 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000012601409 563802937 /nfs/dbraw/zinc/80/29/37/563802937.db2.gz JJFVWDFJIVYGNS-ZDUSSCGKSA-N 0 0 307.397 3.862 50 0 DHAARN CSc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1 ZINC000012604046 563802999 /nfs/dbraw/zinc/80/29/99/563802999.db2.gz ZSRFKJVNBYCYPX-UHFFFAOYSA-N 0 0 311.410 3.705 50 0 DHAARN C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1cccs1 ZINC000044866356 563803572 /nfs/dbraw/zinc/80/35/72/563803572.db2.gz AXAQHNNOBPMEGL-IDVQTMNDSA-N 0 0 309.394 3.582 50 0 DHAARN COc1cccc(CC(=O)N[C@@H](CC(C)C)c2cccnc2)c1 ZINC000299782691 563805774 /nfs/dbraw/zinc/80/57/74/563805774.db2.gz WBXHUEUJZZBLCH-SFHVURJKSA-N 0 0 312.413 3.536 50 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DHAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(SC)cc2)cc1 ZINC000012679954 563809127 /nfs/dbraw/zinc/80/91/27/563809127.db2.gz RYWNDIHVLIJTBB-GFCCVEGCSA-N 0 0 317.410 3.823 50 0 DHAARN C[C@@H](C(=O)N1CCCSc2ccc(F)cc21)c1cccnc1 ZINC000190435901 563809132 /nfs/dbraw/zinc/80/91/32/563809132.db2.gz FRPGZPGCIDPVAT-GFCCVEGCSA-N 0 0 316.401 3.853 50 0 DHAARN Cc1ccc(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)c(C)c1 ZINC000012684412 563809903 /nfs/dbraw/zinc/80/99/03/563809903.db2.gz QAFRPENRKPLEGF-UHFFFAOYSA-N 0 0 313.426 3.646 50 0 DHAARN CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052909017 563810591 /nfs/dbraw/zinc/81/05/91/563810591.db2.gz QYAFRCMFVMQMNS-UHFFFAOYSA-N 0 0 324.852 3.829 50 0 DHAARN COc1cccc([C@@H](C)Sc2nncn2Cc2ccco2)c1 ZINC000083595905 563812384 /nfs/dbraw/zinc/81/23/84/563812384.db2.gz IFCJMKYUQRIQDE-GFCCVEGCSA-N 0 0 315.398 3.781 50 0 DHAARN CCn1ccnc1CSCc1cc(Cl)cc2c1OCOC2 ZINC000083631731 563812514 /nfs/dbraw/zinc/81/25/14/563812514.db2.gz QTVNRVYAIAVPIO-UHFFFAOYSA-N 0 0 324.833 3.856 50 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3.606 50 0 DHAARN Cc1ccc(SCCNC(=O)Cc2ccccc2F)cc1C ZINC000012744140 563819921 /nfs/dbraw/zinc/81/99/21/563819921.db2.gz VUJXKEXHALUTSN-UHFFFAOYSA-N 0 0 317.429 3.894 50 0 DHAARN COc1ccccc1NC(=S)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000083982606 563820297 /nfs/dbraw/zinc/82/02/97/563820297.db2.gz GXDBNFJWXGSQNJ-ZFWWWQNUSA-N 0 0 316.401 3.677 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000084026979 563821188 /nfs/dbraw/zinc/82/11/88/563821188.db2.gz GPSFMGHTWNCPKN-QGZVFWFLSA-N 0 0 324.424 3.840 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)n1Cc1cccs1 ZINC000084080241 563821797 /nfs/dbraw/zinc/82/17/97/563821797.db2.gz SZFOLHBYWFUMHD-GFCCVEGCSA-N 0 0 302.443 3.743 50 0 DHAARN CCCN1C(=O)O[C@](C)(CC(C)(C)c2ccccc2)[C@]1(C)O ZINC000001430563 563823489 /nfs/dbraw/zinc/82/34/89/563823489.db2.gz JUCUOVDLCTWYDP-MSOLQXFVSA-N 0 0 305.418 3.684 50 0 DHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000012751895 563824279 /nfs/dbraw/zinc/82/42/79/563824279.db2.gz 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/nfs/dbraw/zinc/84/23/36/563842336.db2.gz WCAHLHHNESWBHR-LJQANCHMSA-N 0 0 322.408 3.521 50 0 DHAARN C[C@H](CNC(=O)N1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000277086893 563843765 /nfs/dbraw/zinc/84/37/65/563843765.db2.gz UWMGYVGEQVWGCU-MRXNPFEDSA-N 0 0 323.440 3.774 50 0 DHAARN Cc1cc(-c2csc(-c3ccc(N4CCCC4)nc3)n2)on1 ZINC000185932067 563843903 /nfs/dbraw/zinc/84/39/03/563843903.db2.gz IMDQAKZKXIXUIR-UHFFFAOYSA-N 0 0 312.398 3.769 50 0 DHAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 ZINC000000367160 563844187 /nfs/dbraw/zinc/84/41/87/563844187.db2.gz APWOGOSDOWEOOK-UHFFFAOYSA-N 0 0 323.421 3.928 50 0 DHAARN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000121210399 563844408 /nfs/dbraw/zinc/84/44/08/563844408.db2.gz CRKKNZFLRSLYAA-GOSISDBHSA-N 0 0 324.424 3.673 50 0 DHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1CC1 ZINC000012850803 563844847 /nfs/dbraw/zinc/84/48/47/563844847.db2.gz RPQNAEUOYGSLBJ-UHFFFAOYSA-N 0 0 308.740 3.582 50 0 DHAARN CO[C@H](C)c1cccc(NCc2noc(Cc3ccccc3)n2)c1 ZINC000086205412 563844874 /nfs/dbraw/zinc/84/48/74/563844874.db2.gz OQKFRNTWWMTNLS-CQSZACIVSA-N 0 0 323.396 3.980 50 0 DHAARN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)n1cccn1 ZINC000012850645 563844995 /nfs/dbraw/zinc/84/49/95/563844995.db2.gz QVQCREPQTQYWTK-HNNXBMFYSA-N 0 0 305.381 3.674 50 0 DHAARN CC(C)[C@H](C)N(C(=O)N[C@@H](c1nccs1)C1CC1)C1CC1 ZINC000086424640 563845480 /nfs/dbraw/zinc/84/54/80/563845480.db2.gz WQHCPYZSAFVAAT-SMDDNHRTSA-N 0 0 307.463 3.813 50 0 DHAARN C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1nccs1 ZINC000086394520 563845544 /nfs/dbraw/zinc/84/55/44/563845544.db2.gz HTPDDXRUAUKENO-MNOVXSKESA-N 0 0 305.403 3.732 50 0 DHAARN CCc1cnc([C@@H](C)NC(=O)N([C@H](C)C(C)C)C2CC2)s1 ZINC000086428809 563845547 /nfs/dbraw/zinc/84/55/47/563845547.db2.gz WICNICMXXIERSK-VXGBXAGGSA-N 0 0 309.479 3.985 50 0 DHAARN c1coc(-c2noc(CN3CCC(c4ccccc4)CC3)n2)c1 ZINC000012859243 563845599 /nfs/dbraw/zinc/84/55/99/563845599.db2.gz BPUBPTGRQPONSW-UHFFFAOYSA-N 0 0 309.369 3.709 50 0 DHAARN CCCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000012859167 563845634 /nfs/dbraw/zinc/84/56/34/563845634.db2.gz YPMCPYBZXFBFST-UHFFFAOYSA-N 0 0 302.399 3.673 50 0 DHAARN COc1ccc(-c2cc(CC(=O)Nc3ccccc3C)no2)cc1 ZINC000012866683 563846089 /nfs/dbraw/zinc/84/60/89/563846089.db2.gz AQPNUNLLDGMYPT-UHFFFAOYSA-N 0 0 322.364 3.840 50 0 DHAARN CCc1ccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000012866513 563846182 /nfs/dbraw/zinc/84/61/82/563846182.db2.gz FOIJPMNGVORQTP-AWEZNQCLSA-N 0 0 316.470 3.620 50 0 DHAARN COc1ccc(OC)c(CNc2nc3ccccc3s2)c1 ZINC000012869430 563846833 /nfs/dbraw/zinc/84/68/33/563846833.db2.gz JMFQCNMBLBNZRV-UHFFFAOYSA-N 0 0 300.383 3.926 50 0 DHAARN COC(=O)[C@]1(C)CC[C@H](C(=O)c2ccc(N(C)C)cc2)C1(C)C ZINC000086069536 563848547 /nfs/dbraw/zinc/84/85/47/563848547.db2.gz BMEQVLFAKXSKBJ-BEFAXECRSA-N 0 0 317.429 3.551 50 0 DHAARN CCCC(=O)[C@H](C[Si](C)(C)C)S(=O)(=O)c1ccccc1 ZINC000169837119 563849356 /nfs/dbraw/zinc/84/93/56/563849356.db2.gz BCLYGJCECZTPRV-HNNXBMFYSA-N 0 0 312.507 3.536 50 0 DHAARN Cc1ccccc1CC(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000012874920 563850536 /nfs/dbraw/zinc/85/05/36/563850536.db2.gz QBVWLJAFOIRWAG-UHFFFAOYSA-N 0 0 323.421 3.619 50 0 DHAARN CCCCc1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 ZINC000012880946 563851353 /nfs/dbraw/zinc/85/13/53/563851353.db2.gz JRVAHZWCDHWHCA-SFHVURJKSA-N 0 0 324.432 3.671 50 0 DHAARN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1Cl ZINC000012892371 563852509 /nfs/dbraw/zinc/85/25/09/563852509.db2.gz QMRGSJNCIFOKQB-UHFFFAOYSA-N 0 0 321.829 3.790 50 0 DHAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2C)cc1 ZINC000012886867 563852776 /nfs/dbraw/zinc/85/27/76/563852776.db2.gz LBCBTFLFAXQMQV-LJQANCHMSA-N 0 0 324.424 3.779 50 0 DHAARN O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1F ZINC000012930187 563855071 /nfs/dbraw/zinc/85/50/71/563855071.db2.gz LBQLXONRTSMNNV-UHFFFAOYSA-N 0 0 324.355 3.730 50 0 DHAARN Cc1cc(C(=O)N(CC(F)(F)F)c2cccc(Cl)c2)on1 ZINC000075094324 563859190 /nfs/dbraw/zinc/85/91/90/563859190.db2.gz PRNSZDLJYYVBHI-UHFFFAOYSA-N 0 0 318.682 3.846 50 0 DHAARN O=c1ccn(Cc2ccc(F)c3cccnc23)c2ccccc12 ZINC000075142122 563860558 /nfs/dbraw/zinc/86/05/58/563860558.db2.gz POGGLVAFSKWKFV-UHFFFAOYSA-N 0 0 304.324 3.737 50 0 DHAARN Cc1nn(-c2ccccc2)c2c1[C@@H]1c3ccccc3OC[C@H]1CO2 ZINC000075149073 563860601 /nfs/dbraw/zinc/86/06/01/563860601.db2.gz YTTQVUATZFHJTL-LIRRHRJNSA-N 0 0 318.376 3.714 50 0 DHAARN CC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000075141591 563860897 /nfs/dbraw/zinc/86/08/97/563860897.db2.gz RODJHWCSQJLPHX-CQSZACIVSA-N 0 0 323.318 3.779 50 0 DHAARN COc1cccc2c1O[C@H](C)C(=O)N(c1ccccc1Cl)C2 ZINC000075165541 563861132 /nfs/dbraw/zinc/86/11/32/563861132.db2.gz RUSZGAFMVUKORM-LLVKDONJSA-N 0 0 317.772 3.663 50 0 DHAARN O=C(NCCc1ccsc1)c1ccc(OC(F)(F)F)cc1 ZINC000075170089 563861324 /nfs/dbraw/zinc/86/13/24/563861324.db2.gz PCONIEALHMJDJW-UHFFFAOYSA-N 0 0 315.316 3.619 50 0 DHAARN Cn1cccc1CN(Cc1cccs1)C(=O)[C@H]1CC=CCC1 ZINC000075170187 563861436 /nfs/dbraw/zinc/86/14/36/563861436.db2.gz PWRHETKZBUGDFP-HNNXBMFYSA-N 0 0 314.454 3.972 50 0 DHAARN CCN(Cc1cccc(NCc2cccc(F)c2F)c1)C(C)=O ZINC000078975362 563861642 /nfs/dbraw/zinc/86/16/42/563861642.db2.gz PZKUHHBKWRKYAF-UHFFFAOYSA-N 0 0 318.367 3.945 50 0 DHAARN COc1ccc(SCc2csc(-c3cnn(C)c3)n2)cc1 ZINC000053525892 563863740 /nfs/dbraw/zinc/86/37/40/563863740.db2.gz FRFNCZGRFOUDMS-UHFFFAOYSA-N 0 0 317.439 3.845 50 0 DHAARN Cn1c(=O)c2sccc2nc1SCc1cc(F)ccc1F ZINC000053652602 563864809 /nfs/dbraw/zinc/86/48/09/563864809.db2.gz XFZWNENXUWRJQB-UHFFFAOYSA-N 0 0 324.377 3.566 50 0 DHAARN O=C(NCC[C@@H](CCO)c1ccsc1)c1ccccc1Cl ZINC000575606866 563865131 /nfs/dbraw/zinc/86/51/31/563865131.db2.gz KFBGJDFEAXKKJH-LBPRGKRZSA-N 0 0 323.845 3.688 50 0 DHAARN CCn1cnc2cc(-c3noc(-c4ccc(OC)cc4)n3)ccc21 ZINC000035453443 563867339 /nfs/dbraw/zinc/86/73/39/563867339.db2.gz HQPIGJFCIQFPKS-UHFFFAOYSA-N 0 0 320.352 3.782 50 0 DHAARN Cc1ccccc1CCC(=O)NCc1cncc(-c2ccoc2)c1 ZINC000575619833 563867898 /nfs/dbraw/zinc/86/78/98/563867898.db2.gz GMRPYXYEUBEYIG-UHFFFAOYSA-N 0 0 320.392 3.899 50 0 DHAARN COCc1cccc(NC(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000190932319 563870448 /nfs/dbraw/zinc/87/04/48/563870448.db2.gz JTEMHYUCDINMSK-UHFFFAOYSA-N 0 0 306.749 3.836 50 0 DHAARN O[C@@H](CSCc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000191153305 563871663 /nfs/dbraw/zinc/87/16/63/563871663.db2.gz LNXFNFPRCLITKL-QMMMGPOBSA-N 0 0 306.136 3.545 50 0 DHAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)N1CCC(C)CC1 ZINC000035510260 563871955 /nfs/dbraw/zinc/87/19/55/563871955.db2.gz RKBHSEKXQHRUFV-UHFFFAOYSA-N 0 0 320.339 3.800 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013005617 563874985 /nfs/dbraw/zinc/87/49/85/563874985.db2.gz DGTFQSDFTTYGMD-ACJLOTCBSA-N 0 0 323.392 3.669 50 0 DHAARN O=C(c1cc(Br)ccc1O)N1CCCCCCC1 ZINC000013004290 563875005 /nfs/dbraw/zinc/87/50/05/563875005.db2.gz NEMLGVUCGARKII-UHFFFAOYSA-N 0 0 312.207 3.561 50 0 DHAARN Fc1ccc(C2([NH2+]C/C=C/c3ccco3)CCOCC2)cc1 ZINC000096485903 563875584 /nfs/dbraw/zinc/87/55/84/563875584.db2.gz HOKQNUWDMMDFDU-HNQUOIGGSA-N 0 0 301.361 3.727 50 0 DHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000013007870 563875599 /nfs/dbraw/zinc/87/55/99/563875599.db2.gz DCKWQVFSLOVIME-YVEFUNNKSA-N 0 0 315.800 3.911 50 0 DHAARN COc1ccc2nc(NC(=O)C3(c4ccccc4)CC3)sc2c1 ZINC000013011489 563876023 /nfs/dbraw/zinc/87/60/23/563876023.db2.gz OTHMNXSYKVFVLP-UHFFFAOYSA-N 0 0 324.405 3.975 50 0 DHAARN O=C(c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000013011666 563876109 /nfs/dbraw/zinc/87/61/09/563876109.db2.gz IYGFAANHOAXYFN-MRXNPFEDSA-N 0 0 301.773 3.554 50 0 DHAARN Cc1ccccc1CNC(=O)CCc1conc1-c1ccccc1 ZINC000075510106 563878074 /nfs/dbraw/zinc/87/80/74/563878074.db2.gz RQMHRZDCJUSUHK-UHFFFAOYSA-N 0 0 320.392 3.899 50 0 DHAARN Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC(C)(C)c1ccncc1 ZINC000091842323 563881314 /nfs/dbraw/zinc/88/13/14/563881314.db2.gz RHHZDEQVKUGGNC-QZTJIDSGSA-N 0 0 308.425 3.588 50 0 DHAARN Clc1ccc2[nH]c([C@H]3CCCN3C[C@H]3CCCO3)nc2c1 ZINC000244794659 563881322 /nfs/dbraw/zinc/88/13/22/563881322.db2.gz QRDGSLHOFPEJTO-IUODEOHRSA-N 0 0 305.809 3.532 50 0 DHAARN c1ccc(-c2nc(NC[C@@H]3CCCO3)nc3ccccc32)cc1 ZINC000026757279 563882085 /nfs/dbraw/zinc/88/20/85/563882085.db2.gz JUIAATAHUVKSFX-HNNXBMFYSA-N 0 0 305.381 3.888 50 0 DHAARN COC(=O)c1cc(CNc2ccc(-c3ncco3)cc2)oc1C ZINC000092174895 563882376 /nfs/dbraw/zinc/88/23/76/563882376.db2.gz ZKPLPDHTEOJKBJ-UHFFFAOYSA-N 0 0 312.325 3.642 50 0 DHAARN CN(CCc1nc(-c2cccnc2)cs1)C(=O)OC(C)(C)C ZINC000092197305 563882854 /nfs/dbraw/zinc/88/28/54/563882854.db2.gz IZULDVDZARMUHY-UHFFFAOYSA-N 0 0 319.430 3.615 50 0 DHAARN C[C@H](OC(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CCOCC1 ZINC000246424236 563883504 /nfs/dbraw/zinc/88/35/04/563883504.db2.gz VUYDDPCJCOROBQ-CQDKDKBSSA-N 0 0 308.805 3.802 50 0 DHAARN CCOc1cc(Cl)ccc1NC(=O)Cc1csc(CC)n1 ZINC000089289918 563883895 /nfs/dbraw/zinc/88/38/95/563883895.db2.gz LEBBOFKBCNXQMI-UHFFFAOYSA-N 0 0 324.833 3.939 50 0 DHAARN CCn1ccc2cc(CCC(=O)NCc3cccs3)ccc21 ZINC000075550671 563884038 /nfs/dbraw/zinc/88/40/38/563884038.db2.gz QJPHGCIKGVALIB-UHFFFAOYSA-N 0 0 312.438 3.972 50 0 DHAARN COc1ccc(OCc2ncc(C(C)(C)C)o2)c(C(C)=O)c1 ZINC000089291853 563884289 /nfs/dbraw/zinc/88/42/89/563884289.db2.gz CNANYVKSBKZONT-UHFFFAOYSA-N 0 0 303.358 3.762 50 0 DHAARN O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CSCCS1 ZINC000075572388 563884855 /nfs/dbraw/zinc/88/48/55/563884855.db2.gz JYAQQVVVPRQCFX-GFCCVEGCSA-N 0 0 322.480 3.597 50 0 DHAARN Cc1oc(-c2ccsc2)nc1CSCC(=O)NC(C)(C)C ZINC000075584419 563884873 /nfs/dbraw/zinc/88/48/73/563884873.db2.gz UUQXMMKRVBOLFQ-UHFFFAOYSA-N 0 0 324.471 3.859 50 0 DHAARN Clc1cc2c(c3ncccc13)OCN(Cc1ccco1)C2 ZINC000054114367 563884903 /nfs/dbraw/zinc/88/49/03/563884903.db2.gz CSGWJPWAYBCYRP-UHFFFAOYSA-N 0 0 300.745 3.833 50 0 DHAARN CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000089355925 563885118 /nfs/dbraw/zinc/88/51/18/563885118.db2.gz YMWBHTYUYCEUIH-ZIAGYGMSSA-N 0 0 315.335 3.719 50 0 DHAARN CCC(C)(C)C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192406002 563885731 /nfs/dbraw/zinc/88/57/31/563885731.db2.gz RZGNHABFDJDMGV-UHFFFAOYSA-N 0 0 309.837 3.586 50 0 DHAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)cc2)cc1 ZINC000001977360 563886686 /nfs/dbraw/zinc/88/66/86/563886686.db2.gz SIGJTQVBHFOZGU-AWEZNQCLSA-N 0 0 311.381 3.741 50 0 DHAARN Cc1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000000571980 563887264 /nfs/dbraw/zinc/88/72/64/563887264.db2.gz SAHSVUINIQMCTD-UHFFFAOYSA-N 0 0 316.360 3.747 50 0 DHAARN CCOc1ccc(O[C@H](C)c2nnc([C@H]3CCCCO3)o2)cc1 ZINC000521393796 563887789 /nfs/dbraw/zinc/88/77/89/563887789.db2.gz DZPSQJSRHSFCNA-IUODEOHRSA-N 0 0 318.373 3.850 50 0 DHAARN O=C(Nc1nc2ccccc2s1)C1=NO[C@@H](c2ccccc2)C1 ZINC000054272765 563889347 /nfs/dbraw/zinc/88/93/47/563889347.db2.gz UNPTWBNNHIZLJY-CQSZACIVSA-N 0 0 323.377 3.752 50 0 DHAARN Cn1c(=O)cc(C(C)(C)C)nc1SCc1ccccc1F ZINC000035843506 563889603 /nfs/dbraw/zinc/88/96/03/563889603.db2.gz SSUOTISTZCNNCT-UHFFFAOYSA-N 0 0 306.406 3.509 50 0 DHAARN Cc1noc(C)c1[C@H](C)CNc1ccc(Br)cn1 ZINC000089526285 563889621 /nfs/dbraw/zinc/88/96/21/563889621.db2.gz JQPMTBUCKFAWFT-MRVPVSSYSA-N 0 0 310.195 3.665 50 0 DHAARN Cc1ccc(NCC(=O)N2CCc3ccccc32)c(Cl)c1 ZINC000007972384 563890563 /nfs/dbraw/zinc/89/05/63/563890563.db2.gz KEMNBSZRKSWSIA-UHFFFAOYSA-N 0 0 300.789 3.650 50 0 DHAARN Cc1occc1CN(C)C(=O)c1ncoc1-c1cccs1 ZINC000089540704 563890840 /nfs/dbraw/zinc/89/08/40/563890840.db2.gz BOUXVMCTLYVOHC-UHFFFAOYSA-N 0 0 302.355 3.577 50 0 DHAARN CCOC(=O)N(C)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000054313395 563891249 /nfs/dbraw/zinc/89/12/49/563891249.db2.gz XZOBEHNVQNHIDL-ZDUSSCGKSA-N 0 0 302.374 3.574 50 0 DHAARN CNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657733 563892266 /nfs/dbraw/zinc/89/22/66/563892266.db2.gz JJOZHTVWHVPQPA-UHFFFAOYSA-N 0 0 304.802 3.769 50 0 DHAARN CC(C)c1nnc2ccc(NC(=O)c3ccccc3Cl)cn21 ZINC000064757264 563892833 /nfs/dbraw/zinc/89/28/33/563892833.db2.gz GHFMVELTWAIRHX-UHFFFAOYSA-N 0 0 314.776 3.758 50 0 DHAARN CCn1cnc2ccc(-c3noc(Cc4cccc(F)c4)n3)cc21 ZINC000064759499 563893374 /nfs/dbraw/zinc/89/33/74/563893374.db2.gz PZOMJEMZLONFOI-UHFFFAOYSA-N 0 0 322.343 3.836 50 0 DHAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCCC1 ZINC000036107977 563894447 /nfs/dbraw/zinc/89/44/47/563894447.db2.gz PSVKQENNDICVCO-UHFFFAOYSA-N 0 0 316.426 3.575 50 0 DHAARN CC(C)(C)CC(=O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000036314466 563895204 /nfs/dbraw/zinc/89/52/04/563895204.db2.gz GVVQSARSXFWKKW-HNNXBMFYSA-N 0 0 307.409 3.770 50 0 DHAARN COc1cccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)c1 ZINC000064968294 563895513 /nfs/dbraw/zinc/89/55/13/563895513.db2.gz SADUCODWNMOOMN-UHFFFAOYSA-N 0 0 324.380 3.890 50 0 biogenic DHAARN COc1ccccc1NC(=O)N1CCOc2ccc(Cl)cc21 ZINC000006842936 563896771 /nfs/dbraw/zinc/89/67/71/563896771.db2.gz ICPCRWMSCQOMOD-UHFFFAOYSA-N 0 0 318.760 3.780 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)on2)cc1 ZINC000036395293 563898377 /nfs/dbraw/zinc/89/83/77/563898377.db2.gz KVANLNRAOWNTRK-UHFFFAOYSA-N 0 0 322.320 3.631 50 0 DHAARN CCC(CC)NC(=O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C ZINC000036393597 563898426 /nfs/dbraw/zinc/89/84/26/563898426.db2.gz ICURBQJYMBYFIT-JTQLQIEISA-N 0 0 323.820 3.714 50 0 DHAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1 ZINC000006896388 563899102 /nfs/dbraw/zinc/89/91/02/563899102.db2.gz GSJPJDRUSWNREX-OAHLLOKOSA-N 0 0 304.802 3.509 50 0 DHAARN O=C1C[C@H](c2noc(C3CCCCC3)n2)CN1C1CCCCC1 ZINC000169791453 563899185 /nfs/dbraw/zinc/89/91/85/563899185.db2.gz FJBWGKBSJHLJBZ-AWEZNQCLSA-N 0 0 317.433 3.766 50 0 DHAARN Cc1ccccc1CC[NH2+]Cc1c2ccccc2n(C)c1C(=O)[O-] ZINC000006899769 563899263 /nfs/dbraw/zinc/89/92/63/563899263.db2.gz HWUIHAFHYCFCRD-UHFFFAOYSA-N 0 0 322.408 3.517 50 0 DHAARN CSc1ncc(C(=O)Nc2ccc(C)c(Cl)c2)c(C)n1 ZINC000006937950 563900184 /nfs/dbraw/zinc/90/01/84/563900184.db2.gz DFLKHWNVTBOSOK-UHFFFAOYSA-N 0 0 307.806 3.721 50 0 DHAARN O=C(c1noc2c1CCCC2)N(Cc1ccco1)C1CCCC1 ZINC000007000325 563900954 /nfs/dbraw/zinc/90/09/54/563900954.db2.gz FGXBQGPIQPDCEI-UHFFFAOYSA-N 0 0 314.385 3.731 50 0 DHAARN O=C(NCc1ccco1)c1nc2ccccn2c1-c1ccccc1 ZINC000065232106 563901134 /nfs/dbraw/zinc/90/11/34/563901134.db2.gz PBTHSOSVSIOJPG-UHFFFAOYSA-N 0 0 317.348 3.524 50 0 DHAARN Cc1ccc(Nc2nc(-c3ccc4c(c3)OCO4)cs2)nc1 ZINC000013141382 563901549 /nfs/dbraw/zinc/90/15/49/563901549.db2.gz UTUWZVNMPBTDTL-UHFFFAOYSA-N 0 0 311.366 3.986 50 0 DHAARN Cc1noc(C)c1CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000036619854 563901649 /nfs/dbraw/zinc/90/16/49/563901649.db2.gz LGDSZWAQGAZDJU-LLVKDONJSA-N 0 0 316.426 3.751 50 0 DHAARN CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C)noc2n1 ZINC000036621649 563901746 /nfs/dbraw/zinc/90/17/46/563901746.db2.gz COGJHEPZPCVJRN-LLVKDONJSA-N 0 0 309.369 3.585 50 0 DHAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000007056219 563901933 /nfs/dbraw/zinc/90/19/33/563901933.db2.gz XVMUVYYDDYWNPK-UHFFFAOYSA-N 0 0 317.410 3.813 50 0 DHAARN Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)c(C)c1 ZINC000007070402 563902115 /nfs/dbraw/zinc/90/21/15/563902115.db2.gz JVELGJJESHYEQM-UHFFFAOYSA-N 0 0 322.408 3.678 50 0 DHAARN OC[C@H]1C=C[C@@H](Nc2nc(-c3ccsc3)nc3ccccc32)C1 ZINC000170017289 563902567 /nfs/dbraw/zinc/90/25/67/563902567.db2.gz UJAWXKQMEBFIJJ-GXTWGEPZSA-N 0 0 323.421 3.707 50 0 DHAARN COc1ccc(C)cc1CN(C)C(=O)c1ccc(C(C)=O)s1 ZINC000007117363 563903225 /nfs/dbraw/zinc/90/32/25/563903225.db2.gz KURZTHOKGVLQQY-UHFFFAOYSA-N 0 0 317.410 3.540 50 0 DHAARN CC(C)(C)c1nc(CSc2n[nH]c(-c3cccs3)n2)no1 ZINC000036735344 563904029 /nfs/dbraw/zinc/90/40/29/563904029.db2.gz SYKPRXLJQCYWTK-UHFFFAOYSA-N 0 0 321.431 3.506 50 0 DHAARN O=C(N[C@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000007214736 563904629 /nfs/dbraw/zinc/90/46/29/563904629.db2.gz CNDRDLNUDPYERN-AWEZNQCLSA-N 0 0 321.298 3.959 50 0 DHAARN CCOC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 ZINC000036879863 563904804 /nfs/dbraw/zinc/90/48/04/563904804.db2.gz YOBUYOLZHTVNJV-UHFFFAOYSA-N 0 0 314.410 3.940 50 0 DHAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccnc1 ZINC000007239734 563904949 /nfs/dbraw/zinc/90/49/49/563904949.db2.gz NOGAIZZSEGJOFA-UHFFFAOYSA-N 0 0 304.349 3.836 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000007309985 563905048 /nfs/dbraw/zinc/90/50/48/563905048.db2.gz OQJUADZCRZHTDK-CQSZACIVSA-N 0 0 321.467 3.891 50 0 DHAARN CC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccc(C)cc1 ZINC000007312591 563905102 /nfs/dbraw/zinc/90/51/02/563905102.db2.gz NBRYQUNAFPXKDE-IBGZPJMESA-N 0 0 324.424 3.763 50 0 DHAARN O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000007414753 563906011 /nfs/dbraw/zinc/90/60/11/563906011.db2.gz WTKRXYMJKGMWQF-UHFFFAOYSA-N 0 0 320.757 3.809 50 0 DHAARN CCc1cc2c(ncnc2NCC2(c3ccccn3)CC2)s1 ZINC000170594368 563906965 /nfs/dbraw/zinc/90/69/65/563906965.db2.gz WFZIZTBPKAJMSJ-UHFFFAOYSA-N 0 0 310.426 3.792 50 0 DHAARN C[C@@H]([NH2+]Cc1ccncc1Cl)c1cccc(-n2ccnc2)c1 ZINC000170605237 563907356 /nfs/dbraw/zinc/90/73/56/563907356.db2.gz CWGWWKZKNMKYGV-CYBMUJFWSA-N 0 0 312.804 3.772 50 0 DHAARN Cc1nnc(COc2ccccc2-c2nccs2)n1C1CC1 ZINC000170603020 563907508 /nfs/dbraw/zinc/90/75/08/563907508.db2.gz ROAQXOXGKCWSRJ-UHFFFAOYSA-N 0 0 312.398 3.624 50 0 DHAARN C[C@H](CC(=O)Nc1ccc2ccccc2c1)N1CCCCC1=O ZINC000170607836 563907610 /nfs/dbraw/zinc/90/76/10/563907610.db2.gz WIGPZASWZHUTRN-CQSZACIVSA-N 0 0 310.397 3.569 50 0 DHAARN CCOc1ccccc1-c1nnc(SC[C@H]2CC[C@H](C)O2)o1 ZINC000170608245 563907692 /nfs/dbraw/zinc/90/76/92/563907692.db2.gz XBXBHKPWDBBEMX-NWDGAFQWSA-N 0 0 320.414 3.795 50 0 DHAARN COc1ccc(Cl)cc1C[S@@](=O)CCc1cccs1 ZINC000170610913 563907725 /nfs/dbraw/zinc/90/77/25/563907725.db2.gz DNIRFXUOZOWZDL-IBGZPJMESA-N 0 0 314.859 3.902 50 0 DHAARN Cc1cccc(-n2ccnc2SCc2cnc(Cl)cn2)c1 ZINC000170610419 563907835 /nfs/dbraw/zinc/90/78/35/563907835.db2.gz WIGQIWXXKSACJR-UHFFFAOYSA-N 0 0 316.817 3.916 50 0 DHAARN Cc1ccc(N2C(=O)N[C@@H](c3ccsc3)C2=O)cc1Cl ZINC000170613744 563907994 /nfs/dbraw/zinc/90/79/94/563907994.db2.gz UKTKUNFCPXPWKY-LBPRGKRZSA-N 0 0 306.774 3.507 50 0 DHAARN Cc1ccc(N2C(=O)N[C@H](c3ccsc3)C2=O)cc1Cl ZINC000170613745 563908017 /nfs/dbraw/zinc/90/80/17/563908017.db2.gz UKTKUNFCPXPWKY-GFCCVEGCSA-N 0 0 306.774 3.507 50 0 DHAARN CCCCS[C@@H](C)C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000170611471 563908039 /nfs/dbraw/zinc/90/80/39/563908039.db2.gz JKJLZAXOGMQOIL-WFASDCNBSA-N 0 0 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305.462 3.665 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2ccc3ncsc3c2)c1 ZINC000010217164 563909330 /nfs/dbraw/zinc/90/93/30/563909330.db2.gz MTICCERTXSJGSC-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN O=C(Nc1ccc(Cl)cn1)c1cc(Br)cs1 ZINC000013324282 563909459 /nfs/dbraw/zinc/90/94/59/563909459.db2.gz ZAOYPKBCXYXFRS-UHFFFAOYSA-N 0 0 317.595 3.811 50 0 DHAARN CC[C@@H](NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000013330159 563909718 /nfs/dbraw/zinc/90/97/18/563909718.db2.gz QSNMVLPQWUMDCM-GFCCVEGCSA-N 0 0 315.847 3.831 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2Br)C1 ZINC000013746102 563909994 /nfs/dbraw/zinc/90/99/94/563909994.db2.gz OESNGRAKCJNRDJ-GHMZBOCLSA-N 0 0 311.223 3.959 50 0 DHAARN CC(C)c1nn(CN2CCC[C@H]2c2ccccc2)c(=S)[nH]1 ZINC000014158590 563910274 /nfs/dbraw/zinc/91/02/74/563910274.db2.gz NBTBTWQKWAMTQI-AWEZNQCLSA-N 0 0 302.447 3.859 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000014423460 563910557 /nfs/dbraw/zinc/91/05/57/563910557.db2.gz PLMWXKMVCQUTSH-UHFFFAOYSA-N 0 0 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563953531 /nfs/dbraw/zinc/95/35/31/563953531.db2.gz NXFXJQKLTMMBJA-ZDUSSCGKSA-N 0 0 324.306 3.798 50 0 DHAARN Cc1nn(C)c(Cl)c1COC(=O)CSc1ccccc1C ZINC000069568187 563953606 /nfs/dbraw/zinc/95/36/06/563953606.db2.gz DPBGPNBWVGEXNB-UHFFFAOYSA-N 0 0 324.833 3.526 50 0 DHAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000009155317 563953642 /nfs/dbraw/zinc/95/36/42/563953642.db2.gz BERHNUFQSZUTKD-NSHDSACASA-N 0 0 319.307 3.573 50 0 DHAARN FC(F)(F)Cn1ccnc1CN1CCC[C@H]1Cc1ccccc1 ZINC000069591881 563953700 /nfs/dbraw/zinc/95/37/00/563953700.db2.gz CGEZWSUBTDEMQH-HNNXBMFYSA-N 0 0 323.362 3.653 50 0 DHAARN CCOc1cc2ccccc2cc1C(=O)NCCc1ccccn1 ZINC000009157478 563953735 /nfs/dbraw/zinc/95/37/35/563953735.db2.gz DQCYCSOWJQJBEJ-UHFFFAOYSA-N 0 0 320.392 3.606 50 0 DHAARN CC(C)c1noc(CNC2(c3ccc(F)cc3)CCCC2)n1 ZINC000069617073 563953796 /nfs/dbraw/zinc/95/37/96/563953796.db2.gz FKSRCMJOBPNEQS-UHFFFAOYSA-N 0 0 303.381 3.891 50 0 DHAARN CCc1ccsc1C(=O)Nc1n[nH]c(-c2ccncc2)c1C ZINC000069633206 563953945 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563955010 /nfs/dbraw/zinc/95/50/10/563955010.db2.gz WDPRXEOEQCESBJ-HZPDHXFCSA-N 0 0 301.434 3.526 50 0 DHAARN Cc1ncsc1CN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000245713900 563955105 /nfs/dbraw/zinc/95/51/05/563955105.db2.gz GMCYEATUEFVRED-XHDPSFHLSA-N 0 0 306.406 3.553 50 0 DHAARN CCN(Cc1ccoc1)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000069874957 563955154 /nfs/dbraw/zinc/95/51/54/563955154.db2.gz GBKOODAPXFUZND-UHFFFAOYSA-N 0 0 324.327 3.613 50 0 DHAARN O=C(Nc1ccnn1C1CCCC1)c1ccc2ccccc2n1 ZINC000009364795 563955423 /nfs/dbraw/zinc/95/54/23/563955423.db2.gz OIIAAAGLFKHAJB-UHFFFAOYSA-N 0 0 306.369 3.799 50 0 DHAARN O=C(NCCc1c[nH]c2ccc(F)cc12)c1c[nH]c2ccccc12 ZINC000009340315 563955425 /nfs/dbraw/zinc/95/54/25/563955425.db2.gz VKWTZBKFGDAZGF-UHFFFAOYSA-N 0 0 321.355 3.761 50 0 DHAARN C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc[nH]1 ZINC000070006087 563955528 /nfs/dbraw/zinc/95/55/28/563955528.db2.gz IOOHMLXQJNNIQQ-HNNXBMFYSA-N 0 0 305.381 3.813 50 0 DHAARN CCN(C(=O)c1cnccn1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000069980905 563955615 /nfs/dbraw/zinc/95/56/15/563955615.db2.gz LNPCGFGBWSGOKK-LLVKDONJSA-N 0 0 323.318 3.719 50 0 DHAARN O=C(Nc1cnc2ccccc2c1)N(Cc1ccccn1)C1CC1 ZINC000069976808 563955647 /nfs/dbraw/zinc/95/56/47/563955647.db2.gz ROPBNQRRUYYXJK-UHFFFAOYSA-N 0 0 318.380 3.826 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000009447774 563955960 /nfs/dbraw/zinc/95/59/60/563955960.db2.gz ZMGXXYNPBDEXGB-AWEZNQCLSA-N 0 0 322.408 3.868 50 0 DHAARN CCSc1ncc(Cl)c(C(=O)Nc2cccc(C)c2)n1 ZINC000009431709 563955996 /nfs/dbraw/zinc/95/59/96/563955996.db2.gz QYUZXNFJJMUVIF-UHFFFAOYSA-N 0 0 307.806 3.803 50 0 DHAARN Cn1cccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000009479807 563956173 /nfs/dbraw/zinc/95/61/73/563956173.db2.gz BOAWZVGLSVYKOX-UHFFFAOYSA-N 0 0 301.346 3.540 50 0 DHAARN COc1cccc(NC(=O)N2CCn3cccc3[C@H]2C(C)C)c1 ZINC000009528254 563956567 /nfs/dbraw/zinc/95/65/67/563956567.db2.gz PCAZRWMDZHYXCF-QGZVFWFLSA-N 0 0 313.401 3.742 50 0 DHAARN COc1cccc(-c2ocnc2C(=O)Nc2ccc(C)cc2)c1 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COc1cccc([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2)c1 ZINC000010225815 563958323 /nfs/dbraw/zinc/95/83/23/563958323.db2.gz POOWRQFXFLXTAN-IBGZPJMESA-N 0 0 324.424 3.779 50 0 DHAARN CC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)cc1 ZINC000010311290 563958590 /nfs/dbraw/zinc/95/85/90/563958590.db2.gz KQKCKBBQJYELFR-LJQANCHMSA-N 0 0 322.408 3.665 50 0 DHAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccco1 ZINC000010421398 563958965 /nfs/dbraw/zinc/95/89/65/563958965.db2.gz XYUAQXLJXZUTNJ-UHFFFAOYSA-N 0 0 322.368 3.517 50 0 DHAARN C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000071832897 563959103 /nfs/dbraw/zinc/95/91/03/563959103.db2.gz CWACDAOUHIRJHB-DYVFJYSZSA-N 0 0 300.377 3.696 50 0 DHAARN C[C@H](C1CC1)N(C(=O)c1cnc(-c2ccccc2)nc1)C1CC1 ZINC000071839150 563959287 /nfs/dbraw/zinc/95/92/87/563959287.db2.gz HPBSLWPOSLMGIJ-CYBMUJFWSA-N 0 0 307.397 3.547 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2Cl)no1 ZINC000071877680 563959375 /nfs/dbraw/zinc/95/93/75/563959375.db2.gz AKFNNLCHBWFIFF-SNVBAGLBSA-N 0 0 310.806 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C[C@@H]1CCCCN1C(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000096841007 185389398 /nfs/dbraw/zinc/38/93/98/185389398.db2.gz PPYZLVSWUNDAGA-FOQNGQEVSA-N 0 0 321.804 3.525 50 0 DHAARN CCOC(=O)C[C@@H](C)S[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000079359114 185166817 /nfs/dbraw/zinc/16/68/17/185166817.db2.gz KHJRHCJIYZHVMD-VXGBXAGGSA-N 0 0 320.414 3.873 50 0 DHAARN Cc1noc(Cl)c1CC(=O)NCc1oc2ccccc2c1C ZINC000079361880 185167075 /nfs/dbraw/zinc/16/70/75/185167075.db2.gz ZDCARSSLZMCIEJ-UHFFFAOYSA-N 0 0 318.760 3.550 50 0 DHAARN COCCC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000082157328 185174090 /nfs/dbraw/zinc/17/40/90/185174090.db2.gz GFMWSRQTEOTWCY-LBPRGKRZSA-N 0 0 313.800 3.758 50 0 DHAARN CC(C)c1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n(C)n1 ZINC000082160518 185174182 /nfs/dbraw/zinc/17/41/82/185174182.db2.gz NOVWAYSCKXQBRS-FZKQIMNGSA-N 0 0 303.450 3.584 50 0 DHAARN CCc1onc(C)c1NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000328593590 231233442 /nfs/dbraw/zinc/23/34/42/231233442.db2.gz MLNHTVCRNVBJKK-CYBMUJFWSA-N 0 0 323.437 3.604 50 0 DHAARN c1cn(Cc2ccc(-c3noc(-c4ccsc4)n3)cc2)cn1 ZINC000328593834 231233799 /nfs/dbraw/zinc/23/37/99/231233799.db2.gz PQPYKFWUXDLQMH-UHFFFAOYSA-N 0 0 308.366 3.710 50 0 DHAARN Cc1sc(Br)nc1C(=O)OC[C@@H]1CC=CCC1 ZINC000328596149 231236368 /nfs/dbraw/zinc/23/63/68/231236368.db2.gz VCPMYGIMUBFIEA-SECBINFHSA-N 0 0 316.220 3.727 50 0 DHAARN CCc1ccsc1CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000087464731 185225966 /nfs/dbraw/zinc/22/59/66/185225966.db2.gz ARSXHJVSEFVAOL-HUUCEWRRSA-N 0 0 303.402 3.870 50 0 DHAARN CC[N@H+](CC(=O)[O-])[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000225455773 201711095 /nfs/dbraw/zinc/71/10/95/201711095.db2.gz VBEYMNFPHSBQBQ-AWEZNQCLSA-N 0 0 313.397 3.830 50 0 DHAARN CCc1oc2ccccc2c1/C=C\C(=O)Nc1c(C)nn(C)c1C ZINC000096911825 185391313 /nfs/dbraw/zinc/39/13/13/185391313.db2.gz DTZLZBIKLPCMKN-KHPPLWFESA-N 0 0 323.396 3.997 50 0 DHAARN O=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000096911432 185391321 /nfs/dbraw/zinc/39/13/21/185391321.db2.gz 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/nfs/dbraw/zinc/27/52/32/185275232.db2.gz SPZLKOOBPRKYEH-UHFFFAOYSA-N 0 0 319.792 3.798 50 0 DHAARN CCCO[C@H]1CCCN(C(=O)CCC(=O)c2cccs2)CC1 ZINC000089960243 185271942 /nfs/dbraw/zinc/27/19/42/185271942.db2.gz OJLZZCBRZVSYQH-AWEZNQCLSA-N 0 0 323.458 3.519 50 0 DHAARN CC(=O)NCCCSCc1ncc(-c2ccccc2Cl)o1 ZINC000089962673 185272008 /nfs/dbraw/zinc/27/20/08/185272008.db2.gz OZFNINQGGKMSMX-UHFFFAOYSA-N 0 0 324.833 3.754 50 0 DHAARN Cc1cc2c(ncnc2NC[C@@H]2CC(=O)Nc3ccccc32)s1 ZINC000090106306 185282415 /nfs/dbraw/zinc/28/24/15/185282415.db2.gz IPTWFOLYWHHCTR-NSHDSACASA-N 0 0 324.409 3.538 50 0 DHAARN Cn1c(CNc2ccc(F)cc2Cl)nnc1-c1ccccc1 ZINC000090371059 185293112 /nfs/dbraw/zinc/29/31/12/185293112.db2.gz KGMZGGRPBYMCQZ-UHFFFAOYSA-N 0 0 316.767 3.887 50 0 DHAARN CCc1ocnc1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000082107877 192356757 /nfs/dbraw/zinc/35/67/57/192356757.db2.gz PRPCYHIERNMHMZ-INIZCTEOSA-N 0 0 312.413 3.865 50 0 DHAARN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)on1 ZINC000090609987 185306763 /nfs/dbraw/zinc/30/67/63/185306763.db2.gz WYDHZLKSPBPEKI-UHFFFAOYSA-N 0 0 320.654 3.608 50 0 DHAARN CCCCN(CCCC)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000002748799 190616305 /nfs/dbraw/zinc/61/63/05/190616305.db2.gz SKFXOFJCNYAPNE-CSKARUKUSA-N 0 0 303.402 3.857 50 0 DHAARN Cc1cccc(OCC(=O)NCc2cc(C)nc3ccccc23)c1 ZINC000004623116 190619594 /nfs/dbraw/zinc/61/95/94/190619594.db2.gz WHFMDHSDLHACKA-UHFFFAOYSA-N 0 0 320.392 3.547 50 0 DHAARN Cc1ccc(NC(=O)c2cccs2)cc1N1CCCCC1=O ZINC000005441780 190621297 /nfs/dbraw/zinc/62/12/97/190621297.db2.gz DVNPWRLKKQHZKC-UHFFFAOYSA-N 0 0 314.410 3.826 50 0 DHAARN Cc1cnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 ZINC000006868713 190625972 /nfs/dbraw/zinc/62/59/72/190625972.db2.gz KKEADPQRPPFFLA-UHFFFAOYSA-N 0 0 317.197 3.776 50 0 DHAARN c1c[nH]c([C@@H]2CCCCN2Cc2cc(-c3ccccc3)n[nH]2)n1 ZINC000092730136 185336501 /nfs/dbraw/zinc/33/65/01/185336501.db2.gz ILJOBEVFPDTXHV-KRWDZBQOSA-N 0 0 307.401 3.527 50 0 DHAARN Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)Nc1ccncc1 ZINC000096983229 185394964 /nfs/dbraw/zinc/39/49/64/185394964.db2.gz QFQXPSCSGXTAJZ-PLNGDYQASA-N 0 0 318.808 3.548 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCCCC1 ZINC000008062728 190630217 /nfs/dbraw/zinc/63/02/17/190630217.db2.gz VVKTZBPWORRZDB-UHFFFAOYSA-N 0 0 311.429 3.686 50 0 DHAARN COc1ccc(/C=C(/Cl)c2nc3ccccc3[nH]c2=O)cc1 ZINC000096991412 185395499 /nfs/dbraw/zinc/39/54/99/185395499.db2.gz OYYDQVOGGYPRPT-JLHYYAGUSA-N 0 0 312.756 3.669 50 0 DHAARN Cc1nccn1CCCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000095392400 185351760 /nfs/dbraw/zinc/35/17/60/185351760.db2.gz PCVZQYKMRPIBED-GOSISDBHSA-N 0 0 311.429 3.508 50 0 DHAARN O=C(c1ccc(Oc2ccc(Cl)cn2)cc1)N1CCCC1 ZINC000095394827 185352506 /nfs/dbraw/zinc/35/25/06/185352506.db2.gz TVPDRBWLHJFDAH-UHFFFAOYSA-N 0 0 302.761 3.763 50 0 DHAARN COc1ccc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)c(OC)c1 ZINC000095396895 185352860 /nfs/dbraw/zinc/35/28/60/185352860.db2.gz OBKOPCPMCCYZIZ-CHWSQXEVSA-N 0 0 312.325 3.618 50 0 DHAARN CC(C)[C@H](NC(=O)[C@H]1CSc2ccccc21)c1ccncc1 ZINC000095398500 185353444 /nfs/dbraw/zinc/35/34/44/185353444.db2.gz DITYBNIWMMRVOK-RDJZCZTQSA-N 0 0 312.438 3.784 50 0 DHAARN CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(C)nc2)o1 ZINC000095398381 185353482 /nfs/dbraw/zinc/35/34/82/185353482.db2.gz YSJRQJZWTZVQMZ-INIZCTEOSA-N 0 0 313.401 3.592 50 0 DHAARN CCC[C@@H](NC(=O)N[C@@H](CC)c1ccncc1)c1ccccn1 ZINC000095404582 185355539 /nfs/dbraw/zinc/35/55/39/185355539.db2.gz BIBHSNXTPFTGOQ-DOTOQJQBSA-N 0 0 312.417 3.768 50 0 DHAARN CC[C@H](c1ccc(F)cc1F)[S@@](=O)C[C@@H]1CCCCO1 ZINC000095407423 185356266 /nfs/dbraw/zinc/35/62/66/185356266.db2.gz SABMURBEWQUDKQ-PGICJIBASA-N 0 0 302.386 3.734 50 0 DHAARN Cn1ccnc1C[C@@H](Nc1ccncc1Cl)c1ccccc1 ZINC000095408656 185356621 /nfs/dbraw/zinc/35/66/21/185356621.db2.gz WMZDIVAFLQHPPN-MRXNPFEDSA-N 0 0 312.804 3.864 50 0 DHAARN Cc1nnc(-c2cccc(C(=O)OCc3cccc(F)c3)c2)o1 ZINC000095412664 185358087 /nfs/dbraw/zinc/35/80/87/185358087.db2.gz FOBFZUOIPLSOEO-UHFFFAOYSA-N 0 0 312.300 3.541 50 0 DHAARN CC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000095415850 185358987 /nfs/dbraw/zinc/35/89/87/185358987.db2.gz LTYPFCBATKNTJY-UHFFFAOYSA-N 0 0 302.201 3.521 50 0 DHAARN COc1ccc(Oc2ncccc2NC(=O)Cc2ccco2)cc1 ZINC000095427899 185362147 /nfs/dbraw/zinc/36/21/47/185362147.db2.gz FIGVIVMLMDHRLI-UHFFFAOYSA-N 0 0 324.336 3.657 50 0 DHAARN CCc1nnc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)n1C ZINC000097000414 185396230 /nfs/dbraw/zinc/39/62/30/185396230.db2.gz KXFRILRIIAGAPZ-VIFPVBQESA-N 0 0 313.232 3.535 50 0 DHAARN Cc1ccc([C@H]2C[C@@H]2C(=O)N(CC(F)(F)F)C2CC2)s1 ZINC000097000596 185396265 /nfs/dbraw/zinc/39/62/65/185396265.db2.gz AHJDOGWTVSKZJZ-QWRGUYRKSA-N 0 0 303.349 3.713 50 0 DHAARN Cc1csc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)n1 ZINC000095430868 185363056 /nfs/dbraw/zinc/36/30/56/185363056.db2.gz IKSBLPFCNNKNGE-UHFFFAOYSA-N 0 0 320.418 3.806 50 0 DHAARN Cc1ccc(CNC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)s1 ZINC000095436849 185365161 /nfs/dbraw/zinc/36/51/61/185365161.db2.gz CBQLUSDHTJVQMO-GFCCVEGCSA-N 0 0 318.442 3.535 50 0 DHAARN CCS[C@H]1CC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000097009918 185396675 /nfs/dbraw/zinc/39/66/75/185396675.db2.gz FNKUWKAHQFSFBK-OJYUVLBFSA-N 0 0 307.503 3.993 50 0 DHAARN CCCn1c(C)nnc1COc1cccc(Cl)c1Cl ZINC000095448481 185368055 /nfs/dbraw/zinc/36/80/55/185368055.db2.gz PORCLNRYNNHFKO-UHFFFAOYSA-N 0 0 300.189 3.882 50 0 DHAARN Cc1cc(C)cc(NC(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000095454860 185369731 /nfs/dbraw/zinc/36/97/31/185369731.db2.gz RBGIMWBGMHFJER-UHFFFAOYSA-N 0 0 307.357 3.733 50 0 DHAARN Cc1nc(C)c(C(=O)N(C)c2ncc(Cl)cc2Cl)s1 ZINC000095452147 185369300 /nfs/dbraw/zinc/36/93/00/185369300.db2.gz PGHNCHDKJRFHRN-UHFFFAOYSA-N 0 0 316.213 3.738 50 0 DHAARN CCSc1ccccc1OCc1nc(-c2ccccn2)no1 ZINC000095438632 185365755 /nfs/dbraw/zinc/36/57/55/185365755.db2.gz ULRWQPVAIPYVRL-UHFFFAOYSA-N 0 0 313.382 3.823 50 0 DHAARN CC[C@H](C)Oc1cccc(NC(=O)N2C[C@H](C)OC[C@@H]2C)c1 ZINC000095454939 185369680 /nfs/dbraw/zinc/36/96/80/185369680.db2.gz UIEOXTPWMKCNPI-IHRRRGAJSA-N 0 0 306.406 3.505 50 0 DHAARN 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304.434 3.641 50 0 DHAARN COCc1ccc([C@H]2CCCN2C(=O)NCc2ccsc2)o1 ZINC000097147984 185416251 /nfs/dbraw/zinc/41/62/51/185416251.db2.gz JQJWRAIZNHEHJB-CQSZACIVSA-N 0 0 320.414 3.534 50 0 DHAARN CCOC(=O)Nc1c(-c2cccs2)nc2c(C)cccn21 ZINC000026687793 190653162 /nfs/dbraw/zinc/65/31/62/190653162.db2.gz VHKBURYDUJPFDZ-UHFFFAOYSA-N 0 0 301.371 3.940 50 0 DHAARN Cc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)nc1 ZINC000032914189 190658967 /nfs/dbraw/zinc/65/89/67/190658967.db2.gz XXKXIVZMZSCDQT-UHFFFAOYSA-N 0 0 309.394 3.690 50 0 DHAARN O=C(Cc1ccc(Cl)c(F)c1)OCCCOC1CCCC1 ZINC000225743316 201740797 /nfs/dbraw/zinc/74/07/97/201740797.db2.gz JSNATYZDFVXMRX-UHFFFAOYSA-N 0 0 314.784 3.914 50 0 DHAARN COc1cc(CCNc2ncnc3ccc(F)cc32)ccc1F ZINC000170591636 197779922 /nfs/dbraw/zinc/77/99/22/197779922.db2.gz NKDSBPBZXWYZAF-UHFFFAOYSA-N 0 0 315.323 3.571 50 0 DHAARN C[C@]1(c2nc(-c3ccccc3)nn2-c2ccccn2)CCCCO1 ZINC000063882262 190701170 /nfs/dbraw/zinc/70/11/70/190701170.db2.gz FSYRALZWZOSRRG-LJQANCHMSA-N 0 0 320.396 3.745 50 0 DHAARN CCOc1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)cc1 ZINC000064818459 190705550 /nfs/dbraw/zinc/70/55/50/190705550.db2.gz VTHVAVRNDSHYOV-UHFFFAOYSA-N 0 0 324.384 3.663 50 0 DHAARN C[C@@H](OCCc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000170604736 197787365 /nfs/dbraw/zinc/78/73/65/197787365.db2.gz LFBKZEJEPLKYQT-HZPDHXFCSA-N 0 0 309.409 3.612 50 0 DHAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)no1 ZINC000227156433 201795433 /nfs/dbraw/zinc/79/54/33/201795433.db2.gz NNOQUHFUDUIXQF-CYBMUJFWSA-N 0 0 317.389 3.958 50 0 DHAARN CCCCS[C@H](C)C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000170611470 197789586 /nfs/dbraw/zinc/78/95/86/197789586.db2.gz JKJLZAXOGMQOIL-IUODEOHRSA-N 0 0 307.459 3.808 50 0 DHAARN O=c1[nH]c2c(s1)[C@@H]1c3ccccc3O[C@@H]3CCC[C@H](S2)[C@@H]31 ZINC000230073049 201862141 /nfs/dbraw/zinc/86/21/41/201862141.db2.gz RPODNVZRIFIAQZ-YVECIDJPSA-N 0 0 317.435 3.604 50 0 DHAARN Cc1cc(C(=O)NCC2(c3ccccc3)CC2)c(C)n1C1CC1 ZINC000068119749 190748870 /nfs/dbraw/zinc/74/88/70/190748870.db2.gz RWJXAABJVGWKEZ-UHFFFAOYSA-N 0 0 308.425 3.901 50 0 DHAARN Cn1cc([C@H]2C[C@H]2C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 ZINC000069148372 190801849 /nfs/dbraw/zinc/80/18/49/190801849.db2.gz MEUKTRUBRBVPNB-RTBURBONSA-N 0 0 318.376 3.796 50 0 DHAARN Cc1nn(C(C)C)c(C)c1NC(=O)CCOCc1ccccc1 ZINC000069440997 190802100 /nfs/dbraw/zinc/80/21/00/190802100.db2.gz ZOGQEZAXRGTSRT-UHFFFAOYSA-N 0 0 315.417 3.626 50 0 DHAARN O=C(NCCc1nccs1)N[C@@H](c1ccccc1)C1CCC1 ZINC000069705343 190805723 /nfs/dbraw/zinc/80/57/23/190805723.db2.gz AZNBLLLRMWHQKQ-INIZCTEOSA-N 0 0 315.442 3.526 50 0 DHAARN O=C(Nc1ccccc1NC(=O)c1ccccn1)c1cccs1 ZINC000069738662 190809019 /nfs/dbraw/zinc/80/90/19/190809019.db2.gz ULYDKOOLTLQCFK-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccsc1 ZINC000069813771 190822614 /nfs/dbraw/zinc/82/26/14/190822614.db2.gz ORSHHZVFQHISEI-CYBMUJFWSA-N 0 0 321.373 3.697 50 0 DHAARN O=C(Nc1c(F)cccc1Oc1ccccc1)c1cnccn1 ZINC000069893640 190834285 /nfs/dbraw/zinc/83/42/85/190834285.db2.gz AQMRLWQJQGHTIK-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN Cc1ccc2oc(C(=O)Nc3ccnn3[C@@H](C)C3CC3)cc2n1 ZINC000069902675 190836550 /nfs/dbraw/zinc/83/65/50/190836550.db2.gz QKRHZNVMMVSGEV-NSHDSACASA-N 0 0 310.357 3.556 50 0 DHAARN Cc1ccccc1-c1noc(C[S@](=O)CC2CCCCC2)n1 ZINC000069973086 190844874 /nfs/dbraw/zinc/84/48/74/190844874.db2.gz MFNOFHPQNFAWLQ-QFIPXVFZSA-N 0 0 318.442 3.874 50 0 DHAARN O=C(Nc1ccc2[nH]ccc2c1)C1(c2ccccc2)CCOCC1 ZINC000070666648 190909803 /nfs/dbraw/zinc/90/98/03/190909803.db2.gz VHAUVQTYKMNTCU-UHFFFAOYSA-N 0 0 320.392 3.855 50 0 biogenic DHAARN O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1cccs1 ZINC000071280368 190952027 /nfs/dbraw/zinc/95/20/27/190952027.db2.gz SJIHNABMKCTHCO-UHFFFAOYSA-N 0 0 320.377 3.939 50 0 DHAARN Cc1coc(-c2ccc(C)c(NC(=O)Cc3cccc(O)c3)c2)n1 ZINC000084185984 192410429 /nfs/dbraw/zinc/41/04/29/192410429.db2.gz DZLGKDLWJHJGDM-UHFFFAOYSA-N 0 0 322.364 3.845 50 0 DHAARN Cc1c(Cn2ccnc2-c2ccc(-c3ccco3)cc2)cnn1C ZINC000071746177 191019127 /nfs/dbraw/zinc/01/91/27/191019127.db2.gz ABUSBCRMUYYZAJ-UHFFFAOYSA-N 0 0 318.380 3.900 50 0 DHAARN c1cnn(Cc2ccccc2Cn2ccnc2-c2cccs2)c1 ZINC000071749618 191021893 /nfs/dbraw/zinc/02/18/93/191021893.db2.gz WOPUPIVLMCLUKC-UHFFFAOYSA-N 0 0 320.421 3.905 50 0 DHAARN FC(F)(F)[C@@H]1CN(c2ccnc3cc(Cl)ccc32)CCO1 ZINC000071751272 191022326 /nfs/dbraw/zinc/02/23/26/191022326.db2.gz FDUBBHUQPLHQII-ZDUSSCGKSA-N 0 0 316.710 3.656 50 0 DHAARN Cc1nccnc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071753343 191023249 /nfs/dbraw/zinc/02/32/49/191023249.db2.gz DJIVMJNRESINBD-CQSZACIVSA-N 0 0 324.211 3.670 50 0 DHAARN Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccnc(C(C)C)n2)n1 ZINC000071754527 191024421 /nfs/dbraw/zinc/02/44/21/191024421.db2.gz DJDMWKSEPXGHDU-OAHLLOKOSA-N 0 0 324.432 3.538 50 0 DHAARN Cc1cc(C)cc(-n2cc(C(=O)NCCC3=CCCCC3)nn2)c1 ZINC000071764995 191027291 /nfs/dbraw/zinc/02/72/91/191027291.db2.gz GXSBVYNKGKRNKB-UHFFFAOYSA-N 0 0 324.428 3.504 50 0 DHAARN Cc1ccc(-c2ccnc(N[C@H](C)Cc3ccncc3)n2)c(C)n1 ZINC000071764561 191028338 /nfs/dbraw/zinc/02/83/38/191028338.db2.gz OWIOQMPPLHEJCI-CQSZACIVSA-N 0 0 319.412 3.594 50 0 DHAARN CCc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2)cc1 ZINC000071768901 191028825 /nfs/dbraw/zinc/02/88/25/191028825.db2.gz ZNERMCZOKNJHJC-UHFFFAOYSA-N 0 0 305.381 3.569 50 0 DHAARN COC[C@@](O)(c1ccccc1)[C@H](c1ccccc1)c1ccccn1 ZINC000071767153 191028857 /nfs/dbraw/zinc/02/88/57/191028857.db2.gz VBIZCWZPGGDLKZ-NHCUHLMSSA-N 0 0 319.404 3.748 50 0 DHAARN Cc1nn(C)c2c1[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000072115556 191037956 /nfs/dbraw/zinc/03/79/56/191037956.db2.gz ZSPDEXGXZTZHBK-MRVPVSSYSA-N 0 0 310.184 3.509 50 0 DHAARN CCCN(C(=O)Nc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1O ZINC000072117735 191038504 /nfs/dbraw/zinc/03/85/04/191038504.db2.gz IKYYMCXSPSLQHQ-HUUCEWRRSA-N 0 0 310.825 3.887 50 0 DHAARN COc1cccc([C@H]2CCCN2Cc2noc(CC(C)C)n2)c1 ZINC000072126710 191043132 /nfs/dbraw/zinc/04/31/32/191043132.db2.gz FJFQONYMQDTHQU-MRXNPFEDSA-N 0 0 315.417 3.614 50 0 DHAARN COc1ccccc1OC1CN(Cc2ccc3occc3c2)C1 ZINC000072143377 191049144 /nfs/dbraw/zinc/04/91/44/191049144.db2.gz MZCMVMKGCKYXOL-UHFFFAOYSA-N 0 0 309.365 3.705 50 0 DHAARN Cc1nc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cs1 ZINC000072145434 191050880 /nfs/dbraw/zinc/05/08/80/191050880.db2.gz NKWJESYXMDREGO-HNNXBMFYSA-N 0 0 316.405 3.804 50 0 DHAARN Cc1nc(CN2CCC[C@H](COc3cccc(C)c3)C2)co1 ZINC000072153913 191056874 /nfs/dbraw/zinc/05/68/74/191056874.db2.gz CEIBOIGKQAHEND-INIZCTEOSA-N 0 0 300.402 3.582 50 0 DHAARN COC(=O)[C@@H](c1cccc(C)c1)n1ccnc1-c1ccc(C)o1 ZINC000072153381 191057866 /nfs/dbraw/zinc/05/78/66/191057866.db2.gz JBWZEXCQVFEEQW-MRXNPFEDSA-N 0 0 310.353 3.522 50 0 DHAARN CNc1nnc(SCc2csc(-c3ccoc3)n2)s1 ZINC000170986030 197862182 /nfs/dbraw/zinc/86/21/82/197862182.db2.gz OHVYIWNNLQPRFH-UHFFFAOYSA-N 0 0 310.429 3.589 50 0 DHAARN C[C@H](Nc1nc(C2CCCC2)nc2c1CNC2)c1ccccc1 ZINC000072163492 191064338 /nfs/dbraw/zinc/06/43/38/191064338.db2.gz TYYATXYOOAZABJ-ZDUSSCGKSA-N 0 0 308.429 3.911 50 0 DHAARN O=C(N1CCCC1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072167352 191067112 /nfs/dbraw/zinc/06/71/12/191067112.db2.gz WGSSGPURDLLJND-AWEZNQCLSA-N 0 0 322.399 3.825 50 0 DHAARN CC(=O)C1(c2ccccc2)CCN(Cc2csc(C)n2)CC1 ZINC000072169241 191068266 /nfs/dbraw/zinc/06/82/66/191068266.db2.gz VOJLSSPPHJZGKS-UHFFFAOYSA-N 0 0 314.454 3.574 50 0 DHAARN COc1ccc2c(c1)[nH]nc2CN1CCCC[C@H]1c1ccccn1 ZINC000072171459 191069410 /nfs/dbraw/zinc/06/94/10/191069410.db2.gz YOQUHLOMVAPRRR-IBGZPJMESA-N 0 0 322.412 3.694 50 0 DHAARN Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccco2)n1 ZINC000072232492 191078824 /nfs/dbraw/zinc/07/88/24/191078824.db2.gz KGJDQNRULLJVIF-AWEZNQCLSA-N 0 0 304.415 3.731 50 0 DHAARN C[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000072243328 191086449 /nfs/dbraw/zinc/08/64/49/191086449.db2.gz WMFFGSSIZIUJOL-ZIAGYGMSSA-N 0 0 313.372 3.742 50 0 DHAARN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000072272085 191094318 /nfs/dbraw/zinc/09/43/18/191094318.db2.gz OTKJRIJMZJLQSW-OAHLLOKOSA-N 0 0 300.427 3.748 50 0 DHAARN CCSc1ccc([C@H](C)NC(=O)NCc2ccncc2)cc1 ZINC000072271054 191094734 /nfs/dbraw/zinc/09/47/34/191094734.db2.gz WPISSYLZLFVGNI-ZDUSSCGKSA-N 0 0 315.442 3.754 50 0 DHAARN Cc1cccc(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000171446962 186161281 /nfs/dbraw/zinc/16/12/81/186161281.db2.gz NFVAISHPWHXAMS-UHFFFAOYSA-N 0 0 309.369 3.914 50 0 DHAARN C[C@@H](Sc1ncnc2[nH]cnc21)c1ncc(-c2ccccc2)o1 ZINC000072294591 191110456 /nfs/dbraw/zinc/11/04/56/191110456.db2.gz QLPXRPJBVVHYRP-SNVBAGLBSA-N 0 0 323.381 3.861 50 0 DHAARN Cc1csc([C@H](NC(=O)/C=C/c2cccs2)C2CC2)n1 ZINC000072296770 191112391 /nfs/dbraw/zinc/11/23/91/191112391.db2.gz JNBFTTIEPUBSMV-PSKZRQQASA-N 0 0 304.440 3.794 50 0 DHAARN CCC(CC)(CC)NC(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000072296083 191111698 /nfs/dbraw/zinc/11/16/98/191111698.db2.gz XPBAETVESMYXBH-UHFFFAOYSA-N 0 0 319.405 3.734 50 0 DHAARN CC(C)c1csc([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n1 ZINC000072297270 191113261 /nfs/dbraw/zinc/11/32/61/191113261.db2.gz PWSDRRNDCXJIIH-KBPBESRZSA-N 0 0 322.474 3.542 50 0 DHAARN c1ccc2nc(CN3CCC[C@H]3c3noc(C4CC4)n3)ccc2c1 ZINC000072300066 191113899 /nfs/dbraw/zinc/11/38/99/191113899.db2.gz MGPLGFSYSIZXQR-KRWDZBQOSA-N 0 0 320.396 3.832 50 0 DHAARN O=C(c1cc2ccccc2s1)N1CCC2(CC1)OCCS2 ZINC000225620345 186283688 /nfs/dbraw/zinc/28/36/88/186283688.db2.gz NAWXHXOTVIPXIV-UHFFFAOYSA-N 0 0 319.451 3.597 50 0 DHAARN O=C(Nc1nccs1)c1ccc(Oc2nccs2)cc1 ZINC000225637091 186285437 /nfs/dbraw/zinc/28/54/37/186285437.db2.gz APKOVGRXETYWBY-UHFFFAOYSA-N 0 0 303.368 3.644 50 0 DHAARN C[C@H]1CCCCN1C(=O)c1ccc(N[C@@H]2CCSC2)cc1 ZINC000225635685 186285746 /nfs/dbraw/zinc/28/57/46/186285746.db2.gz KSPXXCGCTSRLFY-XJKSGUPXSA-N 0 0 304.459 3.619 50 0 DHAARN COc1ccccc1C(=O)NCc1cccnc1-c1ccsc1 ZINC000225644405 186286185 /nfs/dbraw/zinc/28/61/85/186286185.db2.gz DBTRYQIUTKHQFF-UHFFFAOYSA-N 0 0 324.405 3.749 50 0 DHAARN Cc1ccccc1NC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 ZINC000225679621 186288885 /nfs/dbraw/zinc/28/88/85/186288885.db2.gz ADMLJIZIEKXRLO-HNNXBMFYSA-N 0 0 324.380 3.745 50 0 DHAARN C[C@@H](O)c1ccc(C2(CNC(=O)c3ccco3)CCCC2)s1 ZINC000225680303 186288934 /nfs/dbraw/zinc/28/89/34/186288934.db2.gz LMHWQCFKCQTXRO-GFCCVEGCSA-N 0 0 319.426 3.636 50 0 DHAARN C[C@@H](NC(=O)[C@H](C)C(F)(F)F)c1ccccc1Br ZINC000072302701 191116402 /nfs/dbraw/zinc/11/64/02/191116402.db2.gz RMKPPONDOGSKDM-JGVFFNPUSA-N 0 0 324.140 3.825 50 0 DHAARN CC(C)OC(=O)[C@H](C)CNC(=O)Nc1cccc2ccccc21 ZINC000072303875 191116821 /nfs/dbraw/zinc/11/68/21/191116821.db2.gz GDEYDVHDHXQDBV-CYBMUJFWSA-N 0 0 314.385 3.549 50 0 DHAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(C)o3)o2)cc1 ZINC000072307918 191118153 /nfs/dbraw/zinc/11/81/53/191118153.db2.gz MNFGDXGJKVHCMT-UHFFFAOYSA-N 0 0 310.309 3.698 50 0 DHAARN CC(C)C[C@@H](CCO)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000072311635 191120280 /nfs/dbraw/zinc/12/02/80/191120280.db2.gz OLUBUXGZBCSTMM-UONOGXRCSA-N 0 0 323.502 3.647 50 0 DHAARN Cc1cccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000072329129 191124058 /nfs/dbraw/zinc/12/40/58/191124058.db2.gz UPFUWAPDESWMCX-AWEZNQCLSA-N 0 0 305.381 3.876 50 0 DHAARN Cc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000072328944 191124358 /nfs/dbraw/zinc/12/43/58/191124358.db2.gz UKPZLPCADIVGEK-CQSZACIVSA-N 0 0 305.381 3.876 50 0 DHAARN CC(=O)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000049661 180678321 /nfs/dbraw/zinc/67/83/21/180678321.db2.gz YNGKATDDUIQTBO-UHFFFAOYSA-N 0 0 323.270 3.883 50 0 DHAARN Cc1cc(NC(=O)CCc2cn(C(C)C)c3ccccc23)nn1C ZINC000072404247 191151549 /nfs/dbraw/zinc/15/15/49/191151549.db2.gz ZTDQYSPUBYUBLU-UHFFFAOYSA-N 0 0 324.428 3.835 50 0 DHAARN Cc1cc(OCc2nc(-c3ccccn3)no2)cc(C)c1Cl ZINC000000091999 180689676 /nfs/dbraw/zinc/68/96/76/180689676.db2.gz VGDLCVTXTXYTFC-UHFFFAOYSA-N 0 0 315.760 3.981 50 0 DHAARN COc1cc2ccccc2cc1C(=O)NCCc1ccccc1 ZINC000000091600 180689903 /nfs/dbraw/zinc/68/99/03/180689903.db2.gz CIEKVLYQBREOOO-UHFFFAOYSA-N 0 0 305.377 3.821 50 0 biogenic DHAARN O=C1O[C@H](Nc2ccccc2Br)c2ccccc21 ZINC000000091691 180690019 /nfs/dbraw/zinc/69/00/19/180690019.db2.gz DPXRSEJWDQURIF-ZDUSSCGKSA-N 0 0 304.143 3.730 50 0 DHAARN Cc1ccc(Oc2ccc(C(=O)NCc3ccccc3)cc2)nn1 ZINC000072446918 191168516 /nfs/dbraw/zinc/16/85/16/191168516.db2.gz RTHFADQSJKWCEZ-UHFFFAOYSA-N 0 0 319.364 3.507 50 0 DHAARN CCc1cc(N2CC=C(c3ccc(F)cc3)CC2)n2nccc2n1 ZINC000072470557 191175040 /nfs/dbraw/zinc/17/50/40/191175040.db2.gz NPQZSHLZSORHSX-UHFFFAOYSA-N 0 0 322.387 3.725 50 0 DHAARN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000000170845 180714122 /nfs/dbraw/zinc/71/41/22/180714122.db2.gz LLMGRGXUNSPPRP-UHFFFAOYSA-N 0 0 315.181 3.713 50 0 DHAARN Cc1ccoc1C(=O)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072478178 191179937 /nfs/dbraw/zinc/17/99/37/191179937.db2.gz SJYQEZBHWFNSBG-AWEZNQCLSA-N 0 0 313.332 3.581 50 0 DHAARN CC[C@@H](Nc1cc(C)nc2c(C)c(C)nn21)c1ncccc1C ZINC000072479431 191180028 /nfs/dbraw/zinc/18/00/28/191180028.db2.gz UJSIVAAOVRZSCP-OAHLLOKOSA-N 0 0 309.417 3.921 50 0 DHAARN Cn1cc(CCC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000000218241 180730212 /nfs/dbraw/zinc/73/02/12/180730212.db2.gz QCOHJAOTYPNOBB-UHFFFAOYSA-N 0 0 310.372 3.566 50 0 DHAARN CC(C)N(C(=O)c1ccc(C(=O)N2CCCCC2)cc1)C(C)C ZINC000000296760 180751030 /nfs/dbraw/zinc/75/10/30/180751030.db2.gz OYNGFKGJXLRGMR-UHFFFAOYSA-N 0 0 316.445 3.572 50 0 DHAARN COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1N ZINC000000274708 180744952 /nfs/dbraw/zinc/74/49/52/180744952.db2.gz PHQQPPJGYGEOMD-UHFFFAOYSA-N 0 0 311.168 3.837 50 0 DHAARN COc1ccc(CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000000312505 180756296 /nfs/dbraw/zinc/75/62/96/180756296.db2.gz SIRFUNNOUCRVJF-UHFFFAOYSA-N 0 0 322.393 3.807 50 0 DHAARN O=S(=O)(Nc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000000299703 180751860 /nfs/dbraw/zinc/75/18/60/180751860.db2.gz OHBSXQKWHYZFLF-UHFFFAOYSA-N 0 0 301.342 3.780 50 0 DHAARN Brc1cc(-c2ccnc(Br)c2)ccn1 ZINC000000343357 180762200 /nfs/dbraw/zinc/76/22/00/180762200.db2.gz QYASHWMYBXDWSL-UHFFFAOYSA-N 0 0 313.980 3.669 50 0 DHAARN COc1ccc(CCNC(=S)Nc2cccc(Cl)c2)cc1 ZINC000000370181 180769439 /nfs/dbraw/zinc/76/94/39/180769439.db2.gz OUVSSTCOCDUEKK-UHFFFAOYSA-N 0 0 320.845 3.878 50 0 DHAARN COc1ccc(C=O)cc1COc1cccc(Br)c1 ZINC000000373414 180769967 /nfs/dbraw/zinc/76/99/67/180769967.db2.gz CGMXBLWHOPUGIT-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN CCCc1cc2c(cc1NC(=O)c1ccccc1F)OCO2 ZINC000000381906 180772407 /nfs/dbraw/zinc/77/24/07/180772407.db2.gz UBKLDOYUBNDZLB-UHFFFAOYSA-N 0 0 301.317 3.759 50 0 DHAARN Fc1ccc(Cc2nnc3sc(C4CCCCC4)nn23)cc1 ZINC000000385310 180774043 /nfs/dbraw/zinc/77/40/43/180774043.db2.gz ZYZCHTKMCNOMKQ-UHFFFAOYSA-N 0 0 316.405 3.963 50 0 DHAARN CCc1nnc(NC(=O)c2oc3ccc(C)cc3c2C)s1 ZINC000000352993 180764531 /nfs/dbraw/zinc/76/45/31/180764531.db2.gz LGZSJARZOMAFJO-UHFFFAOYSA-N 0 0 301.371 3.716 50 0 DHAARN CN(Cc1ccccc1)C(=O)COc1ccc2ccccc2c1 ZINC000000358673 180765686 /nfs/dbraw/zinc/76/56/86/180765686.db2.gz YKHXVYDUGDVRSM-UHFFFAOYSA-N 0 0 305.377 3.877 50 0 DHAARN O=C(Cc1ccccc1F)Nc1ccc(Br)cc1 ZINC000000363550 180766941 /nfs/dbraw/zinc/76/69/41/180766941.db2.gz BMVATLRXURPHIT-UHFFFAOYSA-N 0 0 308.150 3.769 50 0 DHAARN COc1cc(OC)c(C(=O)OC2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000000365408 180767869 /nfs/dbraw/zinc/76/78/69/180767869.db2.gz AGHLLFVFFAIZDA-RYUDHWBXSA-N 0 0 322.401 3.694 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H](C)O1 ZINC000000397267 180776501 /nfs/dbraw/zinc/77/65/01/180776501.db2.gz FQBNCZFHMJMLHD-RKDXNWHRSA-N 0 0 303.189 3.635 50 0 DHAARN COc1ccc(-c2noc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000000432971 180789731 /nfs/dbraw/zinc/78/97/31/180789731.db2.gz WSTFGAJFCWRBMW-UHFFFAOYSA-N 0 0 310.353 3.941 50 0 DHAARN CC[C@](C)(NCc1nc(-c2ccco2)no1)c1nc(C)cs1 ZINC000072863913 191244738 /nfs/dbraw/zinc/24/47/38/191244738.db2.gz GPRNHUGQHDJAPD-HNNXBMFYSA-N 0 0 318.402 3.510 50 0 DHAARN Cc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1Cl ZINC000000455274 180796559 /nfs/dbraw/zinc/79/65/59/180796559.db2.gz UQLHQYPERANYHD-UHFFFAOYSA-N 0 0 315.800 3.612 50 0 DHAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2o1 ZINC000000465151 180799387 /nfs/dbraw/zinc/79/93/87/180799387.db2.gz IWGIROCRRGWDRW-RYUDHWBXSA-N 0 0 304.415 3.615 50 0 DHAARN COc1ccc(NC(=O)CCSc2ccccc2)c(OC)c1 ZINC000000443608 180792475 /nfs/dbraw/zinc/79/24/75/180792475.db2.gz BDJVVTJYBHJGSG-UHFFFAOYSA-N 0 0 317.410 3.825 50 0 DHAARN CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000000445783 180793500 /nfs/dbraw/zinc/79/35/00/180793500.db2.gz ZPEGYIMPLMHOAU-UHFFFAOYSA-N 0 0 306.365 3.660 50 0 DHAARN O=C(CSCc1ccccc1)NCc1ccc(Cl)cc1 ZINC000000450406 180794920 /nfs/dbraw/zinc/79/49/20/180794920.db2.gz QFTBRDBBBMMJOP-UHFFFAOYSA-N 0 0 305.830 3.890 50 0 DHAARN COc1cc(OC)c(NC(=O)Cc2ccc(C)cc2)cc1Cl ZINC000000472036 180801712 /nfs/dbraw/zinc/80/17/12/180801712.db2.gz BFJLPOCQOMAZON-UHFFFAOYSA-N 0 0 319.788 3.847 50 0 DHAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000000475422 180802840 /nfs/dbraw/zinc/80/28/40/180802840.db2.gz MEHTZOPYRODFEV-UHFFFAOYSA-N 0 0 310.397 3.729 50 0 DHAARN CCOc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000000530170 180814718 /nfs/dbraw/zinc/81/47/18/180814718.db2.gz WZROQQQMEKDVDC-MSOLQXFVSA-N 0 0 320.396 3.823 50 0 DHAARN CCO[P@](=O)(c1ccccc1Cl)[C@H](O)c1ccccc1 ZINC000000523326 180812402 /nfs/dbraw/zinc/81/24/02/180812402.db2.gz IBADJSYOHMKQHF-MGPUTAFESA-N 0 0 310.717 3.971 50 0 DHAARN Cc1cccc(-c2nnc(SCc3ccccc3C)n2N)c1 ZINC000000527537 180813435 /nfs/dbraw/zinc/81/34/35/180813435.db2.gz XAHJMDAQBDTPPN-UHFFFAOYSA-N 0 0 310.426 3.568 50 0 DHAARN CC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCCC3 ZINC000000533321 180815911 /nfs/dbraw/zinc/81/59/11/180815911.db2.gz MFSMDRGLYUVOSG-ZDUSSCGKSA-N 0 0 314.381 3.727 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)no2)cc1 ZINC000000815116 180834496 /nfs/dbraw/zinc/83/44/96/180834496.db2.gz KNDRDFFUMNHLRJ-UHFFFAOYSA-N 0 0 310.357 3.680 50 0 DHAARN CCN(CC)C(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 ZINC000000817616 180835541 /nfs/dbraw/zinc/83/55/41/180835541.db2.gz JUFCBFYTMVCFSP-UHFFFAOYSA-N 0 0 314.429 3.739 50 0 DHAARN CC(C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000860022 180836462 /nfs/dbraw/zinc/83/64/62/180836462.db2.gz BRFSDCKNFZPNGD-LSDHHAIUSA-N 0 0 321.804 3.813 50 0 DHAARN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cc(C)ccc1F ZINC000000619402 180830927 /nfs/dbraw/zinc/83/09/27/180830927.db2.gz NCJXORDRRPUMKO-UHFFFAOYSA-N 0 0 324.355 3.848 50 0 DHAARN CNC(=O)N(Cc1cccnc1)Cc1cccc(Cl)c1Cl ZINC000001042852 180842076 /nfs/dbraw/zinc/84/20/76/180842076.db2.gz UJCFXNUXBBOHDQ-UHFFFAOYSA-N 0 0 324.211 3.730 50 0 DHAARN CCOC(=O)c1cnc(SC)nc1Sc1ccccc1 ZINC000001398544 180861308 /nfs/dbraw/zinc/86/13/08/180861308.db2.gz SEBXWBXFUJLMHT-UHFFFAOYSA-N 0 0 306.412 3.526 50 0 DHAARN CSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C ZINC000001391462 180859550 /nfs/dbraw/zinc/85/95/50/180859550.db2.gz RMTRVIWTMILIDO-UHFFFAOYSA-N 0 0 302.428 3.636 50 0 DHAARN O=C(/C=C\c1ccccc1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000073003160 191268331 /nfs/dbraw/zinc/26/83/31/191268331.db2.gz FRSHDPSHYXFRHI-QXMHVHEDSA-N 0 0 320.392 3.575 50 0 DHAARN O=C1N(Cl)C(=O)C(c2ccccc2)(c2ccccc2)N1Cl ZINC000001670231 180886473 /nfs/dbraw/zinc/88/64/73/180886473.db2.gz FATMGHVPZCFLDB-UHFFFAOYSA-N 0 0 321.163 3.502 50 0 DHAARN COc1ccc(OC)c(NC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000001741599 180893533 /nfs/dbraw/zinc/89/35/33/180893533.db2.gz TXBLIWHQIPFLOD-UHFFFAOYSA-N 0 0 314.341 3.550 50 0 DHAARN Cc1cccc(OCc2cc3cccc4c3n(c2=O)CCC4)c1 ZINC000001741356 180893694 /nfs/dbraw/zinc/89/36/94/180893694.db2.gz NZSWHOPGDPMZSX-UHFFFAOYSA-N 0 0 305.377 3.835 50 0 DHAARN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000001934043 180902485 /nfs/dbraw/zinc/90/24/85/180902485.db2.gz PORBCTAZHRKLFS-UHFFFAOYSA-N 0 0 324.163 3.789 50 0 DHAARN CCCCOC(=O)CNc1cc(C(F)(F)F)ccc1OCC ZINC000001893394 180900825 /nfs/dbraw/zinc/90/08/25/180900825.db2.gz FSOLQSONFIXZJT-UHFFFAOYSA-N 0 0 319.323 3.859 50 0 DHAARN Cc1ccccc1N1COc2ccc3c(C)cc(=O)oc3c2C1 ZINC000002113693 180911111 /nfs/dbraw/zinc/91/11/11/180911111.db2.gz VVUOGHOTUSKYGM-UHFFFAOYSA-N 0 0 307.349 3.766 50 0 biogenic DHAARN CC1=N/C(=C2/C=C(c3cccs3)Oc3ccccc32)C(=O)O1 ZINC000002341453 180920348 /nfs/dbraw/zinc/92/03/48/180920348.db2.gz SHBJVDYOZJBURV-VBKFSLOCSA-N 0 0 309.346 3.868 50 0 DHAARN COCCCn1c(-c2cccs2)nc2nc3ccccc3nc21 ZINC000002404167 180923393 /nfs/dbraw/zinc/92/33/93/180923393.db2.gz NRDZVCCEUMHWPU-UHFFFAOYSA-N 0 0 324.409 3.745 50 0 DHAARN Nc1cc(-c2ccccc2)nn1-c1ccc(Br)cc1 ZINC000002532570 180932457 /nfs/dbraw/zinc/93/24/57/180932457.db2.gz QCTCKFIPUHVCIW-UHFFFAOYSA-N 0 0 314.186 3.884 50 0 DHAARN CCn1c2ccccc2c2cc(NC(=O)c3cnsn3)ccc21 ZINC000002550182 180934522 /nfs/dbraw/zinc/93/45/22/180934522.db2.gz PYSMXNWUJRZHKR-UHFFFAOYSA-N 0 0 322.393 3.918 50 0 DHAARN CCOC(=O)CCCC(=O)c1cc(C)cc(Br)c1 ZINC000002580281 180936790 /nfs/dbraw/zinc/93/67/90/180936790.db2.gz ALFLFHQQSHWPDN-UHFFFAOYSA-N 0 0 313.191 3.674 50 0 DHAARN CCCCCn1c(CCCNC(=O)CC)nc2ccccc21 ZINC000002601791 180938596 /nfs/dbraw/zinc/93/85/96/180938596.db2.gz LCIFOUZGFWVIFN-UHFFFAOYSA-N 0 0 301.434 3.685 50 0 DHAARN COc1cc(NC(=O)c2cc(C)nc3ccccc32)cc(OC)c1 ZINC000002658259 180945283 /nfs/dbraw/zinc/94/52/83/180945283.db2.gz YGJSMFPZNRTHKI-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN CCOc1ccccc1OCCC(=O)Nc1ccc(F)cc1F ZINC000002622534 180940129 /nfs/dbraw/zinc/94/01/29/180940129.db2.gz XOUWWPPWSPWBKV-UHFFFAOYSA-N 0 0 321.323 3.771 50 0 DHAARN CCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 ZINC000002721486 180949144 /nfs/dbraw/zinc/94/91/44/180949144.db2.gz RDTIAHCYOPXCKH-UHFFFAOYSA-N 0 0 321.424 3.809 50 0 DHAARN Cc1cccc(C)c1OCCNC(=O)c1cc2ccccc2o1 ZINC000002839825 180962790 /nfs/dbraw/zinc/96/27/90/180962790.db2.gz UCJYHBHXIWTWAI-UHFFFAOYSA-N 0 0 309.365 3.858 50 0 DHAARN COCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002852241 180963463 /nfs/dbraw/zinc/96/34/63/180963463.db2.gz HWAHLYVSJRIDMW-QGZVFWFLSA-N 0 0 315.438 3.673 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000002794092 180958671 /nfs/dbraw/zinc/95/86/71/180958671.db2.gz BZCNXVUJSYMVSV-UHFFFAOYSA-N 0 0 321.336 3.552 50 0 DHAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccn1 ZINC000002795830 180958827 /nfs/dbraw/zinc/95/88/27/180958827.db2.gz HMYKFGJMSKTNJC-UHFFFAOYSA-N 0 0 304.777 3.841 50 0 DHAARN C[C@H]1CCc2onc(C(=O)N[C@H]3CCCc4ccccc43)c2C1 ZINC000002806992 180959784 /nfs/dbraw/zinc/95/97/84/180959784.db2.gz DDRLPDPZRRPECA-LRDDRELGSA-N 0 0 310.397 3.607 50 0 DHAARN CCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(F)c1 ZINC000002926489 180970980 /nfs/dbraw/zinc/97/09/80/180970980.db2.gz VDRWFZVTADFANT-UHFFFAOYSA-N 0 0 311.360 3.613 50 0 DHAARN O=C(CCSCc1ccccc1Cl)NCc1ccco1 ZINC000002953815 180971907 /nfs/dbraw/zinc/97/19/07/180971907.db2.gz KZIKUKBKKNBUIZ-UHFFFAOYSA-N 0 0 309.818 3.873 50 0 DHAARN COc1ccccc1OCCCOc1c(OC)cccc1OC ZINC000002985433 180974232 /nfs/dbraw/zinc/97/42/32/180974232.db2.gz UMSNXOHOFDCQIX-UHFFFAOYSA-N 0 0 318.369 3.560 50 0 DHAARN COc1cccc(OCCOCCOc2ccc(C)cc2C)c1 ZINC000002984974 180974261 /nfs/dbraw/zinc/97/42/61/180974261.db2.gz HBELPFGBYZZEAT-UHFFFAOYSA-N 0 0 316.397 3.786 50 0 DHAARN Cc1ccc(CSCC(=O)NCCSC(C)(C)C)cc1 ZINC000002988719 180974670 /nfs/dbraw/zinc/97/46/70/180974670.db2.gz ACKXMQIOIVMWAO-UHFFFAOYSA-N 0 0 311.516 3.876 50 0 DHAARN 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DHAARN CCN1C(=O)Cc2cc(NC(=O)c3cccc(Cl)c3)ccc21 ZINC000017288905 182080650 /nfs/dbraw/zinc/08/06/50/182080650.db2.gz STUOXMQCOKPWIV-UHFFFAOYSA-N 0 0 314.772 3.501 50 0 DHAARN COc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000017971577 182088705 /nfs/dbraw/zinc/08/87/05/182088705.db2.gz IUMRPJAEYHCOCN-ZDUSSCGKSA-N 0 0 321.380 3.576 50 0 DHAARN C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000018016414 182089869 /nfs/dbraw/zinc/08/98/69/182089869.db2.gz DZVGMQDXZKSFSM-LLVKDONJSA-N 0 0 304.340 3.522 50 0 DHAARN Cc1nc(C)c(C(=O)OCc2cc(-c3cccs3)on2)s1 ZINC000018358090 182101888 /nfs/dbraw/zinc/10/18/88/182101888.db2.gz YRCQZZWNHYVNAM-UHFFFAOYSA-N 0 0 320.395 3.833 50 0 DHAARN S=C(NC1CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000018945645 182103246 /nfs/dbraw/zinc/10/32/46/182103246.db2.gz WPFXKKMYSNTDFH-AWEZNQCLSA-N 0 0 320.508 3.794 50 0 DHAARN CC[C@H](CNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 ZINC000018153133 182095164 /nfs/dbraw/zinc/09/51/64/182095164.db2.gz JPTULZANJRJDLR-CQSZACIVSA-N 0 0 321.376 3.717 50 0 DHAARN CCCn1ncc(C)c1NC[C@@]1(c2cccc(F)c2)CCOC1 ZINC000019217831 182108394 /nfs/dbraw/zinc/10/83/94/182108394.db2.gz TZUFHPXWRKFCQD-SFHVURJKSA-N 0 0 317.408 3.511 50 0 DHAARN CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1F ZINC000019435847 182122878 /nfs/dbraw/zinc/12/28/78/182122878.db2.gz SRTMLTPZRUWIAL-UHFFFAOYSA-N 0 0 322.177 3.860 50 0 DHAARN Fc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019537603 182129565 /nfs/dbraw/zinc/12/95/65/182129565.db2.gz OFANBQPFOWDKQE-RMKNXTFCSA-N 0 0 310.416 3.657 50 0 DHAARN O=C(c1cccs1)[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000097527802 193730924 /nfs/dbraw/zinc/73/09/24/193730924.db2.gz HMLYMTCCBWWCAR-JTQLQIEISA-N 0 0 323.801 3.730 50 0 DHAARN Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000019736104 182139921 /nfs/dbraw/zinc/13/99/21/182139921.db2.gz MMRBYEJQNRXZEU-NSHDSACASA-N 0 0 304.777 3.637 50 0 DHAARN CN(Cc1ccon1)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000097528876 193730668 /nfs/dbraw/zinc/73/06/68/193730668.db2.gz OQJXXEDNVQHELE-UHFFFAOYSA-N 0 0 303.362 3.569 50 0 DHAARN CCc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736469 182140532 /nfs/dbraw/zinc/14/05/32/182140532.db2.gz VUTKKAHWNQFVRQ-UHFFFAOYSA-N 0 0 304.777 3.502 50 0 DHAARN Cc1ncc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 ZINC000019789248 182148986 /nfs/dbraw/zinc/14/89/86/182148986.db2.gz JUAQARKBGUTDTE-UHFFFAOYSA-N 0 0 315.380 3.940 50 0 DHAARN CC(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1 ZINC000019814220 182153582 /nfs/dbraw/zinc/15/35/82/182153582.db2.gz DNGSGIHXJZBTIP-UHFFFAOYSA-N 0 0 306.369 3.643 50 0 DHAARN O=S(=O)(Cc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000019822063 182154218 /nfs/dbraw/zinc/15/42/18/182154218.db2.gz ATJJKYDDIIOXSO-UHFFFAOYSA-N 0 0 300.354 3.953 50 0 DHAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)cnn1-c1ccccn1 ZINC000019910967 182163642 /nfs/dbraw/zinc/16/36/42/182163642.db2.gz KAJSMOQXFIYKII-UHFFFAOYSA-N 0 0 320.396 3.753 50 0 DHAARN Clc1cc2c(c3ncccc13)OCN(Cc1cccnc1)C2 ZINC000019863914 182158458 /nfs/dbraw/zinc/15/84/58/182158458.db2.gz NDLZODPSOTWAHC-UHFFFAOYSA-N 0 0 311.772 3.635 50 0 DHAARN Cc1ccc(OCCn2c3ccccc3n(C(C)C)c2=N)cc1 ZINC000019900374 182161422 /nfs/dbraw/zinc/16/14/22/182161422.db2.gz VPDFEVLOBDEZIX-UHFFFAOYSA-N 0 0 309.413 3.891 50 0 DHAARN CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000019943675 182168375 /nfs/dbraw/zinc/16/83/75/182168375.db2.gz MDABQZLCTUAMKR-UHFFFAOYSA-N 0 0 319.426 3.675 50 0 DHAARN Fc1ccc(Nc2nc3ccccc3c3nncn32)cc1Cl ZINC000020177945 182194557 /nfs/dbraw/zinc/19/45/57/182194557.db2.gz ZFMZKXWVKHHJEX-UHFFFAOYSA-N 0 0 313.723 3.814 50 0 DHAARN Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2C)c1 ZINC000020276480 182202798 /nfs/dbraw/zinc/20/27/98/182202798.db2.gz NGTZBWMBZWIJHY-GOSISDBHSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1ccc(NC(=O)COc2cccc(Cl)c2Cl)nc1 ZINC000020407228 182214965 /nfs/dbraw/zinc/21/49/65/182214965.db2.gz IYNWLQRILFXXCL-UHFFFAOYSA-N 0 0 311.168 3.714 50 0 DHAARN O=C(Nc1ccc2n[nH]cc2c1)c1ccc(Br)cc1 ZINC000020478470 182222262 /nfs/dbraw/zinc/22/22/62/182222262.db2.gz AHCNDXJSKJQOIT-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN Cc1ccccc1NC(=O)c1noc2c1COc1ccccc1-2 ZINC000020484704 182223170 /nfs/dbraw/zinc/22/31/70/182223170.db2.gz FAQYTHJYZKLLJB-UHFFFAOYSA-N 0 0 306.321 3.795 50 0 DHAARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)NCC2 ZINC000020494239 182224590 /nfs/dbraw/zinc/22/45/90/182224590.db2.gz ZYOYWVGCPUFRIB-KRWDZBQOSA-N 0 0 321.779 3.731 50 0 DHAARN CCN(Cc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020514236 182226045 /nfs/dbraw/zinc/22/60/45/182226045.db2.gz CXUPTMYRHHUIOG-UHFFFAOYSA-N 0 0 307.756 3.928 50 0 DHAARN O=C(NCc1cccnc1)[C@H](Cc1ccccc1)c1ccccc1 ZINC000020510179 182226071 /nfs/dbraw/zinc/22/60/71/182226071.db2.gz SWGKWCZKBHEHEE-HXUWFJFHSA-N 0 0 316.404 3.724 50 0 DHAARN CC(C)c1ccc(-c2c(=O)c(=O)c2NCCc2ccccc2)cc1 ZINC000020510250 182226086 /nfs/dbraw/zinc/22/60/86/182226086.db2.gz USKUBSIIMPIVRS-UHFFFAOYSA-N 0 0 319.404 3.728 50 0 DHAARN O=C(c1cn2cc(Cl)ccc2n1)N1CC[C@@H]1c1ccccc1 ZINC000020514502 182226317 /nfs/dbraw/zinc/22/63/17/182226317.db2.gz YUCIEDSJECHXOO-OAHLLOKOSA-N 0 0 311.772 3.575 50 0 DHAARN COc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1OC ZINC000020536101 182227549 /nfs/dbraw/zinc/22/75/49/182227549.db2.gz YLKBQOXYADSKCY-SNVBAGLBSA-N 0 0 306.387 3.648 50 0 DHAARN C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000020671806 182242428 /nfs/dbraw/zinc/24/24/28/182242428.db2.gz QJYZHUYNXREHNP-GFCCVEGCSA-N 0 0 314.772 3.697 50 0 DHAARN CC(C)COc1ccccc1[C@H]1SCC(=O)Nc2n[nH]cc21 ZINC000020716005 182243160 /nfs/dbraw/zinc/24/31/60/182243160.db2.gz AIVJVSLHTLGUNV-OAHLLOKOSA-N 0 0 317.414 3.869 50 0 DHAARN COc1ccc2c(ccn2CC(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000020720180 182243393 /nfs/dbraw/zinc/24/33/93/182243393.db2.gz DQMXEOSRMWBLIV-UHFFFAOYSA-N 0 0 319.364 3.770 50 0 DHAARN Cc1ccnc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c1 ZINC000020575474 182234522 /nfs/dbraw/zinc/23/45/22/182234522.db2.gz KIRLIRORHOOFFQ-UHFFFAOYSA-N 0 0 302.337 3.672 50 0 DHAARN CCC1(CC)C[C@H]1C(=O)N1CCCC[C@H]1CCn1ccnc1C ZINC000020586672 182235480 /nfs/dbraw/zinc/23/54/80/182235480.db2.gz ALKYUQOTAKVKIY-IRXDYDNUSA-N 0 0 317.477 3.789 50 0 DHAARN C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)C1 ZINC000020729165 182244546 /nfs/dbraw/zinc/24/45/46/182244546.db2.gz ZKVWTHGVYYKKBU-OHUAYANFSA-N 0 0 320.820 3.925 50 0 DHAARN Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000020603206 182237043 /nfs/dbraw/zinc/23/70/43/182237043.db2.gz XZQALTYBWBPCRX-NSHDSACASA-N 0 0 309.772 3.882 50 0 DHAARN COc1ccc(-c2cc(C(F)F)c3cnn(C)c3n2)cc1OC ZINC000020603039 182237165 /nfs/dbraw/zinc/23/71/65/182237165.db2.gz FXLZVIKWLKPVOL-UHFFFAOYSA-N 0 0 319.311 3.590 50 0 DHAARN CCOc1ccccc1-c1nc(CN2CCSCC2)c(C)o1 ZINC000020906035 182253769 /nfs/dbraw/zinc/25/37/69/182253769.db2.gz LGJWKYKLGGMMHB-UHFFFAOYSA-N 0 0 318.442 3.598 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1nc2ccccc2nc1Cl ZINC000020854079 182249287 /nfs/dbraw/zinc/24/92/87/182249287.db2.gz WNOJMRUCUYYLPB-UHFFFAOYSA-N 0 0 301.708 3.675 50 0 DHAARN CC(C)c1ccc([C@@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)cc1 ZINC000020855230 182249606 /nfs/dbraw/zinc/24/96/06/182249606.db2.gz 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/nfs/dbraw/zinc/25/76/78/182257678.db2.gz PPDQTTQTPAOGJP-LLVKDONJSA-N 0 0 311.307 3.800 50 0 DHAARN Cc1ccccc1[C@@H](CC(=O)Nc1ccccn1)n1cccc1 ZINC000020998809 182258911 /nfs/dbraw/zinc/25/89/11/182258911.db2.gz DXYPZMJZNSBZAL-QGZVFWFLSA-N 0 0 305.381 3.810 50 0 DHAARN CCOC(=O)c1cnc2c(OC(F)(F)F)cccc2c1Cl ZINC000021012412 182260107 /nfs/dbraw/zinc/26/01/07/182260107.db2.gz XDUCCTPHMSLSKV-UHFFFAOYSA-N 0 0 319.666 3.964 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)c1ccc2nsnc2c1 ZINC000021096759 182265701 /nfs/dbraw/zinc/26/57/01/182265701.db2.gz KCRLELQGAYVRPB-UHFFFAOYSA-N 0 0 319.773 3.606 50 0 DHAARN CCc1nc2ccccc2c(OCC(=O)Nc2ccccc2C)n1 ZINC000021361156 182272943 /nfs/dbraw/zinc/27/29/43/182272943.db2.gz ZHCXCTFBAZIGJW-UHFFFAOYSA-N 0 0 321.380 3.518 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)no1 ZINC000021718764 182285148 /nfs/dbraw/zinc/28/51/48/182285148.db2.gz YLLDYPGNLFRBHJ-HNNXBMFYSA-N 0 0 322.767 3.682 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)on1 ZINC000021718657 182285280 /nfs/dbraw/zinc/28/52/80/182285280.db2.gz GGGOYGPIMRNOAA-AWEZNQCLSA-N 0 0 304.777 3.543 50 0 DHAARN CCCc1cc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)no1 ZINC000021719233 182285342 /nfs/dbraw/zinc/28/53/42/182285342.db2.gz BDPRUOGSADIGGF-INIZCTEOSA-N 0 0 302.349 3.744 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)no1 ZINC000021718886 182285571 /nfs/dbraw/zinc/28/55/71/182285571.db2.gz QILLTJCMBSPFMS-OAHLLOKOSA-N 0 0 304.777 3.543 50 0 DHAARN CCc1cc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)on1 ZINC000021719580 182286141 /nfs/dbraw/zinc/28/61/41/182286141.db2.gz IQFATEFDWDQKTP-HNNXBMFYSA-N 0 0 318.804 3.797 50 0 DHAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)no2)cc1 ZINC000021524288 182278264 /nfs/dbraw/zinc/27/82/64/182278264.db2.gz TUURTJGPZVMKJC-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN COc1ccc(NC(=O)c2ncoc2-c2cccs2)cc1 ZINC000021641682 182282298 /nfs/dbraw/zinc/28/22/98/182282298.db2.gz PKXTUORVQPUOLX-UHFFFAOYSA-N 0 0 300.339 3.664 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)c1ncoc1-c1cccs1 ZINC000021641704 182282350 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CCC[C@@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000022461821 182322155 /nfs/dbraw/zinc/32/21/55/182322155.db2.gz RRGCHPIPEDIMGO-CQSZACIVSA-N 0 0 307.397 3.944 50 0 DHAARN CC(=O)Nc1ccc(CNC(=O)c2cccc3ccccc32)cc1 ZINC000022511540 182324475 /nfs/dbraw/zinc/32/44/75/182324475.db2.gz NJHWJPFPXLBRMV-UHFFFAOYSA-N 0 0 318.376 3.728 50 0 DHAARN CCCc1cc(C(=O)Nc2ccccc2C(=O)NC)sc1C ZINC000022978676 182343831 /nfs/dbraw/zinc/34/38/31/182343831.db2.gz WZUBTVBQOACSLG-UHFFFAOYSA-N 0 0 316.426 3.621 50 0 DHAARN O=c1c(C(F)(F)F)cccn1Cc1nc2ccccc2s1 ZINC000022830103 182336097 /nfs/dbraw/zinc/33/60/97/182336097.db2.gz YCACHTPQXACIRY-UHFFFAOYSA-N 0 0 310.300 3.525 50 0 DHAARN COc1ccccc1-n1ncc2c1c(SC)nnc2C(C)C ZINC000023137891 182350589 /nfs/dbraw/zinc/35/05/89/182350589.db2.gz CUARECAYSJFPKL-UHFFFAOYSA-N 0 0 314.414 3.669 50 0 DHAARN COCCn1ccc(-c2cccc(-c3ccc4c(c3)OCO4)c2)n1 ZINC000023158389 182352043 /nfs/dbraw/zinc/35/20/43/182352043.db2.gz UQWNUEYSHCKNLP-UHFFFAOYSA-N 0 0 322.364 3.592 50 0 DHAARN COc1cccc(CNC(=O)CCc2ccccc2Cl)c1 ZINC000023235786 182353734 /nfs/dbraw/zinc/35/37/34/182353734.db2.gz URMDQYQJNGPWQW-UHFFFAOYSA-N 0 0 303.789 3.598 50 0 DHAARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CCOCC1 ZINC000023272136 182355491 /nfs/dbraw/zinc/35/54/91/182355491.db2.gz MEAUOGHJQGMRJL-BQYQJAHWSA-N 0 0 308.381 3.617 50 0 DHAARN C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccccc1F ZINC000023269034 182355970 /nfs/dbraw/zinc/35/59/70/182355970.db2.gz GBMRHCXPFKDKSR-CYBMUJFWSA-N 0 0 309.344 3.502 50 0 DHAARN O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1F ZINC000023130760 182350121 /nfs/dbraw/zinc/35/01/21/182350121.db2.gz PLDKMSRHPWTOIP-UHFFFAOYSA-N 0 0 305.299 3.774 50 0 DHAARN CCc1[nH]c([C@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccccc1 ZINC000023369429 182358330 /nfs/dbraw/zinc/35/83/30/182358330.db2.gz NHJUIKJDKRNFOS-HNNXBMFYSA-N 0 0 311.429 3.611 50 0 DHAARN O=C(CCc1ccccc1O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000023387224 182359145 /nfs/dbraw/zinc/35/91/45/182359145.db2.gz PGSKNOHOLBQFGT-QWHCGFSZSA-N 0 0 315.335 3.562 50 0 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3.901 50 0 DHAARN CC(=O)c1cc(Cl)ccc1OCc1noc(-c2ccco2)n1 ZINC000031639008 182618256 /nfs/dbraw/zinc/61/82/56/182618256.db2.gz CPFJYILYTVPFOP-UHFFFAOYSA-N 0 0 318.716 3.765 50 0 DHAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000100564942 193801191 /nfs/dbraw/zinc/80/11/91/193801191.db2.gz WBIAYYHZLRKPOM-CVEARBPZSA-N 0 0 311.768 3.862 50 0 DHAARN Cc1ccc(-c2nc(CC(=O)Nc3ncc(C)s3)cs2)o1 ZINC000031876933 182628471 /nfs/dbraw/zinc/62/84/71/182628471.db2.gz LZNKIDQBYCMJHF-UHFFFAOYSA-N 0 0 319.411 3.658 50 0 DHAARN Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000032405662 182641757 /nfs/dbraw/zinc/64/17/57/182641757.db2.gz KYXCSIUVFJHMNF-JTQLQIEISA-N 0 0 315.847 3.749 50 0 DHAARN C[C@@H](OC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000032766808 182661030 /nfs/dbraw/zinc/66/10/30/182661030.db2.gz IEMRJBTZZLPCJB-SNVBAGLBSA-N 0 0 306.159 3.762 50 0 DHAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@@H](C)CC ZINC000032601842 182649599 /nfs/dbraw/zinc/64/95/99/182649599.db2.gz HNZMLCZYVPIURK-ZDUSSCGKSA-N 0 0 313.463 3.594 50 0 DHAARN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)sc1C ZINC000032731870 182656931 /nfs/dbraw/zinc/65/69/31/182656931.db2.gz WXFKOVWOZHJJEB-NSHDSACASA-N 0 0 317.410 3.627 50 0 DHAARN O=c1oc2cc(Cl)ccc2n1Cc1cccc2cccnc21 ZINC000032865440 182672490 /nfs/dbraw/zinc/67/24/90/182672490.db2.gz GVAIQHJZZGYKEN-UHFFFAOYSA-N 0 0 310.740 3.844 50 0 DHAARN O=C(NCCc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000032862467 182672626 /nfs/dbraw/zinc/67/26/26/182672626.db2.gz HOVMGXJHYFKARD-UHFFFAOYSA-N 0 0 322.330 3.747 50 0 DHAARN O=C(Cc1noc2ccccc12)Nc1cnc2ccccc2c1 ZINC000032894223 182674988 /nfs/dbraw/zinc/67/49/88/182674988.db2.gz MJWGTTBXHUCGMX-UHFFFAOYSA-N 0 0 303.321 3.557 50 0 DHAARN CCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032900336 182675749 /nfs/dbraw/zinc/67/57/49/182675749.db2.gz WSJALICJVBFFEU-CQSZACIVSA-N 0 0 310.397 3.868 50 0 DHAARN O=c1ccc2ccc(OCCCOc3ccc(F)cc3)cc2o1 ZINC000032911033 182678163 /nfs/dbraw/zinc/67/81/63/182678163.db2.gz RKYIYKSGFRZFSB-UHFFFAOYSA-N 0 0 314.312 3.780 50 0 DHAARN Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1-n1cccc1 ZINC000032931939 182682589 /nfs/dbraw/zinc/68/25/89/182682589.db2.gz YTPSGFDZNFQUKJ-UHFFFAOYSA-N 0 0 316.364 3.914 50 0 DHAARN CCc1nc(-c2ccc(NC(=O)Nc3cc(C)ccn3)cc2)no1 ZINC000033257345 182698578 /nfs/dbraw/zinc/69/85/78/182698578.db2.gz KKGLFWSWBSIYOL-UHFFFAOYSA-N 0 0 323.356 3.646 50 0 DHAARN COc1cccc(C[C@H]2c3cc(C)cc(C)c3NC2=O)c1OC ZINC000101014656 193806532 /nfs/dbraw/zinc/80/65/32/193806532.db2.gz LLKNCJIRURRFET-HNNXBMFYSA-N 0 0 311.381 3.599 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)no1 ZINC000033077075 182691749 /nfs/dbraw/zinc/69/17/49/182691749.db2.gz MTCCKBHHRXUJMX-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN C[C@@H](CCOCc1ccccc1)CN1C(=O)c2ccccc2C1=O ZINC000036040004 182793347 /nfs/dbraw/zinc/79/33/47/182793347.db2.gz KANPWWMRBFPDHL-HNNXBMFYSA-N 0 0 323.392 3.526 50 0 DHAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)C(C)=O ZINC000036114743 182803155 /nfs/dbraw/zinc/80/31/55/182803155.db2.gz HEDIKIXNYZIYRZ-UHFFFAOYSA-N 0 0 318.442 3.789 50 0 DHAARN O=C(c1cc(Br)c[nH]1)N1CCC[C@H]1c1ccccc1 ZINC000037497499 182899838 /nfs/dbraw/zinc/89/98/38/182899838.db2.gz OOMKQURILNXYCH-AWEZNQCLSA-N 0 0 319.202 3.755 50 0 DHAARN Cc1ccccc1NC(=O)CN1CCC(c2cccs2)CC1 ZINC000038882442 183012416 /nfs/dbraw/zinc/01/24/16/183012416.db2.gz BHKDQERRPNFJKB-UHFFFAOYSA-N 0 0 314.454 3.875 50 0 DHAARN O=C(Cc1cccc2cccnc21)NCC1(c2ccccc2)CC1 ZINC000040047011 183029981 /nfs/dbraw/zinc/02/99/81/183029981.db2.gz GNZGADDTRKDCBP-UHFFFAOYSA-N 0 0 316.404 3.625 50 0 DHAARN C[C@H](CCc1ccco1)NC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000040067890 183030428 /nfs/dbraw/zinc/03/04/28/183030428.db2.gz VROKXFAUNDPBGI-OLZOCXBDSA-N 0 0 304.365 3.800 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N[C@H]3CCC[C@H](C)C3)cc21 ZINC000040069711 183030968 /nfs/dbraw/zinc/03/09/68/183030968.db2.gz OTJAKWKPACYPGG-AAEUAGOBSA-N 0 0 301.390 3.655 50 0 DHAARN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000040069996 183031045 /nfs/dbraw/zinc/03/10/45/183031045.db2.gz SOCQHZVPVRJVCI-OUJBWJOFSA-N 0 0 314.351 3.963 50 0 DHAARN Cc1ccc(CN(C(=O)Nc2nnc(C(C)C)s2)C2CC2)o1 ZINC000040150613 183039953 /nfs/dbraw/zinc/03/99/53/183039953.db2.gz MIIRTQLRGJTARD-UHFFFAOYSA-N 0 0 320.418 3.759 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(Cn3cccn3)cc2)cc1F ZINC000040146222 183040233 /nfs/dbraw/zinc/04/02/33/183040233.db2.gz GRAAHAAEVKKDCT-UHFFFAOYSA-N 0 0 309.344 3.631 50 0 DHAARN Cc1ccc2c(CC(=O)N3c4ccnn4[C@H](C)C[C@@H]3C)coc2c1 ZINC000040146284 183040238 /nfs/dbraw/zinc/04/02/38/183040238.db2.gz ABMQPIVSRCGOIX-UONOGXRCSA-N 0 0 323.396 3.867 50 0 DHAARN CSc1ccc(CN(C)C(=O)Cc2ccccc2F)cc1 ZINC000040159576 183041068 /nfs/dbraw/zinc/04/10/68/183041068.db2.gz JOMKQAPLKPVSQW-UHFFFAOYSA-N 0 0 303.402 3.749 50 0 DHAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1C1CCCC1 ZINC000040160007 183041318 /nfs/dbraw/zinc/04/13/18/183041318.db2.gz IILHUVPGPQLQCV-LBPRGKRZSA-N 0 0 317.364 3.543 50 0 DHAARN Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(Cl)c2)o1 ZINC000040159495 183041394 /nfs/dbraw/zinc/04/13/94/183041394.db2.gz GEMIPSKRPCFQAQ-LBPRGKRZSA-N 0 0 307.777 3.667 50 0 DHAARN Clc1cccc(OCCOc2ccc(-c3nnco3)cc2)c1 ZINC000040159354 183041398 /nfs/dbraw/zinc/04/13/98/183041398.db2.gz SSKBPCGVDDMVPP-UHFFFAOYSA-N 0 0 316.744 3.848 50 0 DHAARN COc1cccc(-c2nc3ccccc3n2CC(=O)OC(C)C)c1 ZINC000040250232 183049426 /nfs/dbraw/zinc/04/94/26/183049426.db2.gz MVNVRVIEMWEVPN-UHFFFAOYSA-N 0 0 324.380 3.664 50 0 DHAARN CCc1cccc2c(-c3csc(CC(=O)OC)n3)c[nH]c21 ZINC000040071793 183031524 /nfs/dbraw/zinc/03/15/24/183031524.db2.gz JACAUNLTHWGGJM-UHFFFAOYSA-N 0 0 300.383 3.569 50 0 DHAARN Cc1cnc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)s1 ZINC000040086602 183031854 /nfs/dbraw/zinc/03/18/54/183031854.db2.gz XADAXJLANXWLMY-UHFFFAOYSA-N 0 0 318.789 3.747 50 0 DHAARN CC(C)c1nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2o1 ZINC000040081672 183031970 /nfs/dbraw/zinc/03/19/70/183031970.db2.gz JETZUTRGMVCXDY-UHFFFAOYSA-N 0 0 324.336 3.932 50 0 DHAARN C[C@H](OCc1ccccc1)C(=O)NCCc1cccc(Cl)c1 ZINC000040088811 183032628 /nfs/dbraw/zinc/03/26/28/183032628.db2.gz NJZARYXKYHNQCL-AWEZNQCLSA-N 0 0 317.816 3.604 50 0 DHAARN O=C(CCc1ccsc1)Nc1ccccc1Cn1cccn1 ZINC000040090482 183033344 /nfs/dbraw/zinc/03/33/44/183033344.db2.gz WENNGRWIAFJWEG-UHFFFAOYSA-N 0 0 311.410 3.564 50 0 DHAARN O=C(NCc1csc(Br)c1)C1CCCCC1 ZINC000040090939 183033664 /nfs/dbraw/zinc/03/36/64/183033664.db2.gz NKROUCGKXAAGRS-UHFFFAOYSA-N 0 0 302.237 3.707 50 0 DHAARN CCN(Cc1cccc(C)c1)C(=O)Nc1nnc(C2CC2)s1 ZINC000040103200 183034867 /nfs/dbraw/zinc/03/48/67/183034867.db2.gz FUQGVIZGMCSYJJ-UHFFFAOYSA-N 0 0 316.430 3.778 50 0 DHAARN COc1ccccc1CNC(=O)Nc1ccc(C)c2ncccc12 ZINC000040104667 183035635 /nfs/dbraw/zinc/03/56/35/183035635.db2.gz IUDLGDMWTQDHOL-UHFFFAOYSA-N 0 0 321.380 3.874 50 0 DHAARN Cc1cc(N(C)C)ccc1NC(=O)[C@H](C)n1cnc2ccccc21 ZINC000040111655 183036775 /nfs/dbraw/zinc/03/67/75/183036775.db2.gz LSZILTNYPKQNST-AWEZNQCLSA-N 0 0 322.412 3.610 50 0 DHAARN O=C(Nc1cccc(OC(F)F)c1)N1CCc2ccccc2C1 ZINC000040120521 183037516 /nfs/dbraw/zinc/03/75/16/183037516.db2.gz FPRYUZLDCYIBJP-UHFFFAOYSA-N 0 0 318.323 3.878 50 0 DHAARN C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)c1cccs1 ZINC000040121054 183037549 /nfs/dbraw/zinc/03/75/49/183037549.db2.gz GBWRMIYEESQEAG-GFCCVEGCSA-N 0 0 316.430 3.626 50 0 DHAARN O=C(/C=C/c1ccccc1Cl)NCCSC(F)(F)F ZINC000040118575 183037810 /nfs/dbraw/zinc/03/78/10/183037810.db2.gz HOLGNOJVYXKGMC-AATRIKPKSA-N 0 0 309.740 3.722 50 0 DHAARN COc1ccc(C2=CCN(C(=O)c3ccccc3OC)CC2)cc1 ZINC000040119715 183037850 /nfs/dbraw/zinc/03/78/50/183037850.db2.gz ZPBZQDGJCWREAT-UHFFFAOYSA-N 0 0 323.392 3.633 50 0 DHAARN O=C1NC(=S)SC1=Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000040139531 183039051 /nfs/dbraw/zinc/03/90/51/183039051.db2.gz NRXAIYMSWFXNLC-WZUFQYTHSA-N 0 0 321.814 3.855 50 0 DHAARN Cc1nc(NC(C)C)sc1C(=O)NCc1ccccc1Cl ZINC000040286051 183051203 /nfs/dbraw/zinc/05/12/03/183051203.db2.gz UOJKDJRMZGDIMH-UHFFFAOYSA-N 0 0 323.849 3.855 50 0 DHAARN O=C(Nc1ccc2[nH]cnc2c1)c1cccc(Br)c1 ZINC000040286508 183051655 /nfs/dbraw/zinc/05/16/55/183051655.db2.gz IWOWQYASCFDJAP-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN Cc1noc(C)c1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000040465935 183072519 /nfs/dbraw/zinc/07/25/19/183072519.db2.gz ZRIFJLPUBMACCY-CQSZACIVSA-N 0 0 306.431 3.534 50 0 DHAARN CN(Cc1ccncc1)C(=O)Nc1ccc(Br)cc1 ZINC000040525288 183091969 /nfs/dbraw/zinc/09/19/69/183091969.db2.gz GTUXNCCOJJGIFQ-UHFFFAOYSA-N 0 0 320.190 3.508 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1Cl ZINC000040526887 183092835 /nfs/dbraw/zinc/09/28/35/183092835.db2.gz MJLFYLMIKSSYTM-JTQLQIEISA-N 0 0 309.797 3.562 50 0 DHAARN Cc1nc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)no1 ZINC000040548798 183099530 /nfs/dbraw/zinc/09/95/30/183099530.db2.gz GDLINHZMNHDFLF-UHFFFAOYSA-N 0 0 314.292 3.565 50 0 DHAARN Cc1ccc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)s1 ZINC000041121987 183167804 /nfs/dbraw/zinc/16/78/04/183167804.db2.gz FHUXTZUVSFXNIN-UHFFFAOYSA-N 0 0 319.430 3.583 50 0 DHAARN CC[C@H](C)c1noc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000041122614 183168231 /nfs/dbraw/zinc/16/82/31/183168231.db2.gz FANSAYKBMSBJSJ-RYUDHWBXSA-N 0 0 319.430 3.664 50 0 DHAARN CC(C)c1noc([C@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 ZINC000041122557 183168277 /nfs/dbraw/zinc/16/82/77/183168277.db2.gz PAAVLXPHESWEJU-HNNXBMFYSA-N 0 0 319.449 3.869 50 0 DHAARN CC(C)c1noc([C@H]2CCCCN2C(=O)NC2CCCCC2)n1 ZINC000041122816 183168334 /nfs/dbraw/zinc/16/83/34/183168334.db2.gz ORMAMPGYNIQDHV-CQSZACIVSA-N 0 0 320.437 3.762 50 0 DHAARN Cc1occc1C(=O)N1CCCC[C@@H]1c1nc(CC(C)C)no1 ZINC000041123874 183168863 /nfs/dbraw/zinc/16/88/63/183168863.db2.gz KYHSPHWCCUENAX-CQSZACIVSA-N 0 0 317.389 3.537 50 0 DHAARN CCNc1nc(Nc2cccc([C@@H](C)O)c2)nc2ccccc21 ZINC000041147366 183176707 /nfs/dbraw/zinc/17/67/07/183176707.db2.gz PCGDQTXSOGSRNB-GFCCVEGCSA-N 0 0 308.385 3.859 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCO2)Nc1cccc2cccnc21 ZINC000041450658 183191981 /nfs/dbraw/zinc/19/19/81/183191981.db2.gz FDXFHDIYIWWFBF-UHFFFAOYSA-N 0 0 321.336 3.650 50 0 DHAARN Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)on1 ZINC000041893746 183224728 /nfs/dbraw/zinc/22/47/28/183224728.db2.gz KIURYTYOCAKGRX-YGRLFVJLSA-N 0 0 300.358 3.504 50 0 DHAARN Cn1ccnc1[C@H](NCc1ccc(F)cc1)c1cccc(F)c1 ZINC000042203958 183241536 /nfs/dbraw/zinc/24/15/36/183241536.db2.gz QSRQMMYEAKXJGH-QGZVFWFLSA-N 0 0 313.351 3.578 50 0 DHAARN OC[C@H](CNc1nc2ccccc2s1)Cc1ccc(F)cc1 ZINC000042103459 183232797 /nfs/dbraw/zinc/23/27/97/183232797.db2.gz KTPOXBBLDIYHNH-ZDUSSCGKSA-N 0 0 316.401 3.699 50 0 DHAARN CC(=O)c1ccc(NC(=O)NCCCOC2CCCCC2)cc1 ZINC000042755051 183305391 /nfs/dbraw/zinc/30/53/91/183305391.db2.gz YOVZRVGAHJHTCQ-UHFFFAOYSA-N 0 0 318.417 3.750 50 0 DHAARN Cc1csc(C2=C(N)N([C@H](C)CCc3ccco3)CC2=O)n1 ZINC000102243261 193870506 /nfs/dbraw/zinc/87/05/06/193870506.db2.gz RCOKUTDXOIVIIR-LLVKDONJSA-N 0 0 317.414 3.628 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1ccncc1 ZINC000043184672 183343578 /nfs/dbraw/zinc/34/35/78/183343578.db2.gz POINJXPFXZSMNG-IUODEOHRSA-N 0 0 315.442 3.923 50 0 DHAARN C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000043574189 183372473 /nfs/dbraw/zinc/37/24/73/183372473.db2.gz GCYUXAAJMVQGKN-BBRMVZONSA-N 0 0 315.417 3.514 50 0 DHAARN COCCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000043724027 183384056 /nfs/dbraw/zinc/38/40/56/183384056.db2.gz HHCPOOVOMHUQID-CYBMUJFWSA-N 0 0 322.430 3.569 50 0 DHAARN CCCCCCNC(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000043995616 183392315 /nfs/dbraw/zinc/39/23/15/183392315.db2.gz IXRBKFIMECVPLU-UHFFFAOYSA-N 0 0 316.348 3.998 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103352 183394807 /nfs/dbraw/zinc/39/48/07/183394807.db2.gz UEDRZWHMLQNGIU-BLLLJJGKSA-N 0 0 315.417 3.735 50 0 DHAARN CC(C)(C)OC(=O)N1CCC(C(=O)c2ccccc2F)CC1 ZINC000044713519 183434648 /nfs/dbraw/zinc/43/46/48/183434648.db2.gz YYDXZEMJOXFAPV-UHFFFAOYSA-N 0 0 307.365 3.656 50 0 DHAARN COc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2)cc1F ZINC000044892603 183449918 /nfs/dbraw/zinc/44/99/18/183449918.db2.gz IGHNQHJDBQQLJF-ZDUSSCGKSA-N 0 0 316.376 3.737 50 0 DHAARN Cc1nn(C)c2nc(OCc3c(F)cccc3Cl)cc(C)c12 ZINC000045995385 183542874 /nfs/dbraw/zinc/54/28/74/183542874.db2.gz CPGDPRSJBFOPLF-UHFFFAOYSA-N 0 0 319.767 3.957 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)Cc2cccs2)cc1 ZINC000046018010 183543390 /nfs/dbraw/zinc/54/33/90/183543390.db2.gz YQYIADLFBGELLL-MRXNPFEDSA-N 0 0 301.411 3.663 50 0 DHAARN Cc1noc(-c2ccc(C(=O)N([C@H](C)C(C)C)C3CC3)cc2)n1 ZINC000046445615 183561759 /nfs/dbraw/zinc/56/17/59/183561759.db2.gz NVGQWRLVTWOLBC-GFCCVEGCSA-N 0 0 313.401 3.694 50 0 DHAARN CCOCCOCc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 ZINC000047604158 183597422 /nfs/dbraw/zinc/59/74/22/183597422.db2.gz YQMMVRWVRXVJJQ-HNNXBMFYSA-N 0 0 320.433 3.504 50 0 DHAARN O=C(CC1OCCCO1)N(c1ccsc1)C1CCCCC1 ZINC000285090599 218286448 /nfs/dbraw/zinc/28/64/48/218286448.db2.gz WCYAUAOMBRNDJX-UHFFFAOYSA-N 0 0 309.431 3.567 50 0 DHAARN COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000106646088 194239892 /nfs/dbraw/zinc/23/98/92/194239892.db2.gz WRXPJKHUUYWFJK-VHDGCEQUSA-N 0 0 314.385 3.513 50 0 DHAARN Cn1ccnc1[C@@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000048710488 183681827 /nfs/dbraw/zinc/68/18/27/183681827.db2.gz JBHMLENYWMARKK-KRWDZBQOSA-N 0 0 313.351 3.578 50 0 DHAARN CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000053720117 183911037 /nfs/dbraw/zinc/91/10/37/183911037.db2.gz RBAIPPSMQJIWPW-UHFFFAOYSA-N 0 0 323.274 3.655 50 0 DHAARN COc1ccccc1[C@H](C)NC(=O)Cc1cccc2cccnc21 ZINC000054519773 183943284 /nfs/dbraw/zinc/94/32/84/183943284.db2.gz COUCORBLLLJDJJ-AWEZNQCLSA-N 0 0 320.392 3.663 50 0 DHAARN CC1CCN(c2nc(-c3ccc(NC(N)=O)cc3)cs2)CC1 ZINC000055050762 183959375 /nfs/dbraw/zinc/95/93/75/183959375.db2.gz MVQKSXGEVIMLKJ-UHFFFAOYSA-N 0 0 316.430 3.537 50 0 DHAARN COc1ccc(CCCCC(=O)N[C@H](C)c2cccnc2)cc1 ZINC000057030736 184025315 /nfs/dbraw/zinc/02/53/15/184025315.db2.gz MGYOXCKAKCMDHQ-OAHLLOKOSA-N 0 0 312.413 3.680 50 0 DHAARN COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@H](C)c1cccnc1 ZINC000057030742 184025449 /nfs/dbraw/zinc/02/54/49/184025449.db2.gz KANXXTMBVVOREA-ZBFHGGJFSA-N 0 0 324.424 3.778 50 0 DHAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(C(C)C)CO1 ZINC000057140559 184028101 /nfs/dbraw/zinc/02/81/01/184028101.db2.gz BTTKUPFRPBILHF-UHFFFAOYSA-N 0 0 307.777 3.569 50 0 DHAARN CCn1nc(C)c2ncnc(N[C@H]3CCCc4ccccc43)c21 ZINC000057312436 184032913 /nfs/dbraw/zinc/03/29/13/184032913.db2.gz SXPVFBPEVSSNNR-HNNXBMFYSA-N 0 0 307.401 3.644 50 0 DHAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC[C@H](C)C1 ZINC000057544805 184041546 /nfs/dbraw/zinc/04/15/46/184041546.db2.gz ZBOWKAPZMSANHS-LBPRGKRZSA-N 0 0 315.417 3.607 50 0 DHAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cc(C)ccn1 ZINC000057625622 184042458 /nfs/dbraw/zinc/04/24/58/184042458.db2.gz XKROGUIGSHUGNO-UHFFFAOYSA-N 0 0 320.396 3.504 50 0 DHAARN Cc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)no1 ZINC000057995380 184065512 /nfs/dbraw/zinc/06/55/12/184065512.db2.gz RUPCGMPQURZJNS-INIZCTEOSA-N 0 0 305.422 3.627 50 0 DHAARN COc1ccc(OC)c(CNCc2nc3ccccc3s2)c1 ZINC000058006690 184066062 /nfs/dbraw/zinc/06/60/62/184066062.db2.gz CZKIFFDURLYYCG-UHFFFAOYSA-N 0 0 314.410 3.603 50 0 DHAARN C[C@@H](Sc1nncn1Cc1ccco1)c1ccc(F)cc1 ZINC000058161961 184082778 /nfs/dbraw/zinc/08/27/78/184082778.db2.gz YRCJGGGXOCOICQ-LLVKDONJSA-N 0 0 303.362 3.912 50 0 DHAARN Cc1cccc(C(=O)NCc2cc(-c3ccccc3)on2)c1C ZINC000058168203 184083985 /nfs/dbraw/zinc/08/39/85/184083985.db2.gz AYMKCNMTBXKHOU-UHFFFAOYSA-N 0 0 306.365 3.888 50 0 DHAARN COc1ccc2nc(C)c(C(=O)N3CCC[C@@H](C)CC3)cc2c1 ZINC000058174021 184084276 /nfs/dbraw/zinc/08/42/76/184084276.db2.gz VGFIQFLIQHZIBK-CYBMUJFWSA-N 0 0 312.413 3.814 50 0 DHAARN CCOCCCC(=O)Nc1nc(-c2cc(C)oc2C)cs1 ZINC000058196827 184086531 /nfs/dbraw/zinc/08/65/31/184086531.db2.gz PSRLOUNTNYIVII-UHFFFAOYSA-N 0 0 308.403 3.775 50 0 DHAARN CCc1nnsc1C(=O)Nc1ccccc1SC(F)F ZINC000058196832 184086551 /nfs/dbraw/zinc/08/65/51/184086551.db2.gz FXQAXMPNAOYAOH-UHFFFAOYSA-N 0 0 315.370 3.668 50 0 DHAARN CC[C@@H](C(=O)Nc1cccc(COC)c1)c1c(C)noc1C ZINC000058201621 184086899 /nfs/dbraw/zinc/08/68/99/184086899.db2.gz CTKDPSLOFSAAPH-OAHLLOKOSA-N 0 0 302.374 3.570 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3.569 50 0 DHAARN COC[C@@H](C)N(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000058358087 184108769 /nfs/dbraw/zinc/10/87/69/184108769.db2.gz IITDNAMSWCGMLP-CYBMUJFWSA-N 0 0 324.380 3.602 50 0 DHAARN CC[C@H](C)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl ZINC000058379289 184110901 /nfs/dbraw/zinc/11/09/01/184110901.db2.gz UKECDOYQJHATOU-NSHDSACASA-N 0 0 308.809 3.561 50 0 DHAARN CNC(=S)N1N=C(c2ccsc2)C[C@@H]1c1ccc(F)cc1 ZINC000058268772 184098039 /nfs/dbraw/zinc/09/80/39/184098039.db2.gz RHAAGASRMUAYPS-CQSZACIVSA-N 0 0 319.430 3.543 50 0 DHAARN CCCCCC[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000058434803 184118376 /nfs/dbraw/zinc/11/83/76/184118376.db2.gz NJAHOCLFUBJUBM-HUUCEWRRSA-N 0 0 306.450 3.981 50 0 DHAARN CC(C)(C)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000060237931 184145363 /nfs/dbraw/zinc/14/53/63/184145363.db2.gz QGFMTFCGBFNMNG-UHFFFAOYSA-N 0 0 309.409 3.951 50 0 DHAARN COCc1nc2scc(-c3ccccc3)c2c(-n2ccnc2)n1 ZINC000060277599 184145744 /nfs/dbraw/zinc/14/57/44/184145744.db2.gz ODLZRDNREQOEJV-UHFFFAOYSA-N 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Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1F ZINC000012992964 563376914 /nfs/dbraw/zinc/37/69/14/563376914.db2.gz KFIOMGKATZIDAA-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN Cc1cc2n(n1)[C@H](c1ccc3c(c1)OCO3)Nc1ccc(C)cc1-2 ZINC000013123874 563377934 /nfs/dbraw/zinc/37/79/34/563377934.db2.gz JLELGLQRUQDDHL-LJQANCHMSA-N 0 0 319.364 3.868 50 0 DHAARN FC(F)(F)c1nnc2ccc(Oc3ccccc3Cl)nn21 ZINC000013104108 563378312 /nfs/dbraw/zinc/37/83/12/563378312.db2.gz IJCFPWFYYQALTB-UHFFFAOYSA-N 0 0 314.654 3.589 50 0 DHAARN Cc1cccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)c1 ZINC000013131383 563378646 /nfs/dbraw/zinc/37/86/46/563378646.db2.gz LVWREOUVEGWRIV-IRXDYDNUSA-N 0 0 308.360 3.872 50 0 aggregator DHAARN C[C@@]1(c2ccccc2)CC(c2ccccc2)=Nc2nonc2N1 ZINC000013130137 563378672 /nfs/dbraw/zinc/37/86/72/563378672.db2.gz HIIZWIAXRNBQTG-SFHVURJKSA-N 0 0 304.353 3.921 50 0 DHAARN Fc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)cc1 ZINC000013127444 563378718 /nfs/dbraw/zinc/37/87/18/563378718.db2.gz IFONQRWGEAJRGE-JKSUJKDBSA-N 0 0 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PLWGLAGWNGEPJL-UHFFFAOYSA-N 0 0 311.772 3.837 50 0 DHAARN CC(C)n1cnn(CN2CCc3sccc3[C@@H]2C)c1=S ZINC000014215015 563398443 /nfs/dbraw/zinc/39/84/43/563398443.db2.gz JIELMZQLQIIPKO-NSHDSACASA-N 0 0 308.476 3.633 50 0 DHAARN Cc1ccc(CN(C)C(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC000032817808 563398474 /nfs/dbraw/zinc/39/84/74/563398474.db2.gz WHJBVLPHUBHCSJ-UHFFFAOYSA-N 0 0 318.420 3.987 50 0 DHAARN CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000014246772 563399504 /nfs/dbraw/zinc/39/95/04/563399504.db2.gz UGEANYAMFDLBTM-UHFFFAOYSA-N 0 0 319.401 3.530 50 0 DHAARN O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1Cc2ccccc2O1 ZINC000032837425 563400867 /nfs/dbraw/zinc/40/08/67/563400867.db2.gz VJTBWUFWSSKPFP-AWEZNQCLSA-N 0 0 323.270 3.527 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000032833058 563401099 /nfs/dbraw/zinc/40/10/99/563401099.db2.gz AKQXHYDYTJPXBV-UHFFFAOYSA-N 0 0 312.300 3.742 50 0 DHAARN Cc1csc(CNc2nc(C)nc3sc(C)c(C)c32)n1 ZINC000032869755 563404655 /nfs/dbraw/zinc/40/46/55/563404655.db2.gz RRLSSEWSHCSXSB-UHFFFAOYSA-N 0 0 304.444 3.994 50 0 DHAARN CC(C)(C)C(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000014972579 563404792 /nfs/dbraw/zinc/40/47/92/563404792.db2.gz SEMPQWFJNXDGLZ-INIZCTEOSA-N 0 0 309.413 3.683 50 0 DHAARN O=C1C[C@@H](c2ccc(F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 ZINC000015084819 563406626 /nfs/dbraw/zinc/40/66/26/563406626.db2.gz YHTZQWDBKGAKNY-AWEZNQCLSA-N 0 0 322.343 3.767 50 0 DHAARN O=C(c1cccs1)N1CCc2onc(-c3ccccc3)c2C1 ZINC000015070471 563407059 /nfs/dbraw/zinc/40/70/59/563407059.db2.gz DNJBHWABUOBFMJ-UHFFFAOYSA-N 0 0 310.378 3.602 50 0 DHAARN COc1ccc2cc(-c3n[nH]cc3CN3CCCCO3)ccc2c1 ZINC000015069873 563407088 /nfs/dbraw/zinc/40/70/88/563407088.db2.gz CJFOCZNFHBNDPE-UHFFFAOYSA-N 0 0 323.396 3.766 50 0 DHAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)nc(-c3ccncc3)c12 ZINC000015106401 563407535 /nfs/dbraw/zinc/40/75/35/563407535.db2.gz MTRYZKBOQLJJFC-UHFFFAOYSA-N 0 0 319.343 3.633 50 0 DHAARN CN(CCOc1cccc(Cl)c1)c1ncnc2sccc21 ZINC000015141708 563407584 /nfs/dbraw/zinc/40/75/84/563407584.db2.gz GJQNNIFLRDEEOH-UHFFFAOYSA-N 0 0 319.817 3.860 50 0 DHAARN Cc1csc2nc(CNc3ccc(Cl)cc3C)cc(=O)n12 ZINC000015290389 563409199 /nfs/dbraw/zinc/40/91/99/563409199.db2.gz CIQQVKNUZMRADF-UHFFFAOYSA-N 0 0 319.817 3.638 50 0 DHAARN CCN(CC(=O)N[C@@H](C)c1cccs1)Cc1cccc(F)c1 ZINC000015368437 563409760 /nfs/dbraw/zinc/40/97/60/563409760.db2.gz RPGHBNFAIKUANP-ZDUSSCGKSA-N 0 0 320.433 3.587 50 0 DHAARN C[C@@H](NC(=O)c1ccc2c[nH]nc2c1)c1cc2ccccc2o1 ZINC000032900997 563410234 /nfs/dbraw/zinc/41/02/34/563410234.db2.gz QTOJTTHCJAFZJC-LLVKDONJSA-N 0 0 305.337 3.800 50 0 DHAARN CCc1cc(C(=O)Nc2ccc(NC(=O)NC)cc2)sc1C ZINC000032903285 563410310 /nfs/dbraw/zinc/41/03/10/563410310.db2.gz YQXVDSFNQDHPBU-UHFFFAOYSA-N 0 0 317.414 3.623 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H](C)c1ccccc1 ZINC000032905783 563410700 /nfs/dbraw/zinc/41/07/00/563410700.db2.gz AUZDJTMLVNGUBY-CYBMUJFWSA-N 0 0 320.392 3.579 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1C ZINC000032910903 563410800 /nfs/dbraw/zinc/41/08/00/563410800.db2.gz JKGYGVKCVBDHRB-UHFFFAOYSA-N 0 0 307.397 3.854 50 0 DHAARN COc1ccc(NC(=O)N2CCCc3ccccc32)cc1OC ZINC000015934315 563410857 /nfs/dbraw/zinc/41/08/57/563410857.db2.gz XCJZSEVSWIZTQM-UHFFFAOYSA-N 0 0 312.369 3.689 50 0 DHAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000032906477 563410885 /nfs/dbraw/zinc/41/08/85/563410885.db2.gz FAZOZQCTTXBTTC-UHFFFAOYSA-N 0 0 319.792 3.905 50 0 DHAARN C[C@@H](OCCCNC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC000032907579 563411044 /nfs/dbraw/zinc/41/10/44/563411044.db2.gz WCAARFBFJJFGGH-GFCCVEGCSA-N 0 0 307.777 3.831 50 0 DHAARN CN(Cc1ccncc1)c1ncnc2sc3c(c21)CCCCC3 ZINC000032906784 563411049 /nfs/dbraw/zinc/41/10/49/563411049.db2.gz NFYKSVDMQIVAHI-UHFFFAOYSA-N 0 0 324.453 3.992 50 0 DHAARN COc1ccc(-c2noc(Nc3ccccc3C)n2)cc1OC ZINC000071928093 563411507 /nfs/dbraw/zinc/41/15/07/563411507.db2.gz SSLTYCXPIBLNBY-UHFFFAOYSA-N 0 0 311.341 3.806 50 0 DHAARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nccs1 ZINC000032914071 563411569 /nfs/dbraw/zinc/41/15/69/563411569.db2.gz HEUHWFHTRDQHBY-UHFFFAOYSA-N 0 0 315.423 3.751 50 0 DHAARN CSc1ccc([C@H](C)NC(=O)NCc2ccccc2)cc1 ZINC000032912701 563411581 /nfs/dbraw/zinc/41/15/81/563411581.db2.gz HVDDUTXVMTUDOC-ZDUSSCGKSA-N 0 0 300.427 3.969 50 0 DHAARN CCCC[C@H](CC)C(=O)N1CCN(c2ccccc2C)CC1 ZINC000016603108 563412182 /nfs/dbraw/zinc/41/21/82/563412182.db2.gz YUCKGJUAQQRYRR-KRWDZBQOSA-N 0 0 302.462 3.860 50 0 DHAARN Cc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)nc1 ZINC000032914190 563412116 /nfs/dbraw/zinc/41/21/16/563412116.db2.gz ZRQIJCOPMGFTTJ-UHFFFAOYSA-N 0 0 323.421 3.619 50 0 DHAARN CCOc1ccc(NC(=O)Nc2ccc3nsnc3c2)cc1 ZINC000000205201 563413663 /nfs/dbraw/zinc/41/36/63/563413663.db2.gz YCEOUTUJJXSJHY-UHFFFAOYSA-N 0 0 314.370 3.734 50 0 DHAARN CC(=O)Nc1ccc(SCC[S@@](=O)c2ccccc2)cc1 ZINC000032931602 563414017 /nfs/dbraw/zinc/41/40/17/563414017.db2.gz AOFHLUIPYQCCTA-NRFANRHFSA-N 0 0 319.451 3.545 50 0 DHAARN C[C@H](Cc1ccccc1Cl)NC(=O)Cc1cccc(F)c1 ZINC000032930657 563414255 /nfs/dbraw/zinc/41/42/55/563414255.db2.gz ZDOJEPCEYAWZEZ-GFCCVEGCSA-N 0 0 305.780 3.769 50 0 DHAARN Cc1cnc(NC(=O)c2cc(F)ccc2Br)s1 ZINC000010626107 563415055 /nfs/dbraw/zinc/41/50/55/563415055.db2.gz YMZSNTSZUKZOPJ-UHFFFAOYSA-N 0 0 315.167 3.605 50 0 DHAARN O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccccc1Cl ZINC000010677485 563416895 /nfs/dbraw/zinc/41/68/95/563416895.db2.gz OVZRQAVIFBTRBN-INIZCTEOSA-N 0 0 321.829 3.770 50 0 DHAARN O=C(OCc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2 ZINC000010716849 563417485 /nfs/dbraw/zinc/41/74/85/563417485.db2.gz DUAVQVIZROABSF-UHFFFAOYSA-N 0 0 308.692 3.565 50 0 DHAARN CO[C@H](C(=O)NCC(C)(C)c1cccc(C)c1)c1ccccc1 ZINC000072046373 563418399 /nfs/dbraw/zinc/41/83/99/563418399.db2.gz RSLARTTVZGQROO-SFHVURJKSA-N 0 0 311.425 3.777 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(F)cc2)c2cnn(C(C)C)c2n1 ZINC000010808783 563418522 /nfs/dbraw/zinc/41/85/22/563418522.db2.gz DELIHSNCSKMNBB-UHFFFAOYSA-N 0 0 312.348 3.712 50 0 DHAARN CCC(=O)Nc1ccc(C)c(NC(=O)NCc2cccs2)c1 ZINC000048259269 563419241 /nfs/dbraw/zinc/41/92/41/563419241.db2.gz CJOGTGINSRCEHZ-UHFFFAOYSA-N 0 0 317.414 3.727 50 0 DHAARN O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc2c(c1)OCCO2 ZINC000023224437 563419559 /nfs/dbraw/zinc/41/95/59/563419559.db2.gz ZFKKZBBCUUQBTE-UHFFFAOYSA-N 0 0 323.392 3.518 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000025318428 563421944 /nfs/dbraw/zinc/42/19/44/563421944.db2.gz SGORBKUIMOLSFT-UHFFFAOYSA-N 0 0 308.381 3.705 50 0 DHAARN Cc1cc(C)nc(NCc2cccc(NC(=O)c3ccco3)c2)n1 ZINC000025571208 563423667 /nfs/dbraw/zinc/42/36/67/563423667.db2.gz WLUYYHQUXYMISW-UHFFFAOYSA-N 0 0 322.368 3.551 50 0 DHAARN CCc1nnc(S[C@H](C)c2ncc(-c3ccccc3)o2)[nH]1 ZINC000069975525 563426770 /nfs/dbraw/zinc/42/67/70/563426770.db2.gz BJLFQWAKPKKYEM-SNVBAGLBSA-N 0 0 300.387 3.875 50 0 DHAARN CC(C)OC1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000072271254 563428209 /nfs/dbraw/zinc/42/82/09/563428209.db2.gz VIABVKBXTMOYPT-SFHVURJKSA-N 0 0 301.430 3.523 50 0 DHAARN Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000072272096 563428889 /nfs/dbraw/zinc/42/88/89/563428889.db2.gz CHUUPQYXZBDILB-AWEZNQCLSA-N 0 0 316.426 3.584 50 0 DHAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1onc2c1CCCC2 ZINC000027662288 563429146 /nfs/dbraw/zinc/42/91/46/563429146.db2.gz TZHHZNSGKNNSSK-JTQLQIEISA-N 0 0 320.776 3.613 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000027740215 563429397 /nfs/dbraw/zinc/42/93/97/563429397.db2.gz DBCWZXQSJLSLLR-QMMMGPOBSA-N 0 0 323.190 3.545 50 0 DHAARN CC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)nc1C ZINC000027740549 563429496 /nfs/dbraw/zinc/42/94/96/563429496.db2.gz SIWCVUUYLPTFOT-UHFFFAOYSA-N 0 0 314.366 3.961 50 0 DHAARN CC(=O)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)cc1C ZINC000028744469 563432515 /nfs/dbraw/zinc/43/25/15/563432515.db2.gz GSFRACFQLXSCGV-CQSZACIVSA-N 0 0 310.397 3.945 50 0 DHAARN Nc1nc(CSc2ncccc2Cl)nc2ccccc12 ZINC000011034045 563433051 /nfs/dbraw/zinc/43/30/51/563433051.db2.gz AIFGETFDCVFGBB-UHFFFAOYSA-N 0 0 302.790 3.553 50 0 DHAARN COc1ccc(OCCCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000001778215 563433726 /nfs/dbraw/zinc/43/37/26/563433726.db2.gz SURFBHJSULCRFD-HNNXBMFYSA-N 0 0 313.397 3.732 50 0 DHAARN Cc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(C)o1 ZINC000029268310 563434026 /nfs/dbraw/zinc/43/40/26/563434026.db2.gz WXEPYIRBNYECRO-UHFFFAOYSA-N 0 0 323.396 3.793 50 0 DHAARN COc1ccc2nc(C)c(C(=O)Nc3cccc(C)n3)cc2c1 ZINC000029701366 563435546 /nfs/dbraw/zinc/43/55/46/563435546.db2.gz WVLNGMCUVCQGHJ-UHFFFAOYSA-N 0 0 307.353 3.508 50 0 DHAARN CCONC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000029569492 563435552 /nfs/dbraw/zinc/43/55/52/563435552.db2.gz VRXOCSUGAJWAOM-UHFFFAOYSA-N 0 0 314.366 3.751 50 0 DHAARN Cc1ccccc1-n1ncc(C(=O)N2CCC(C)CC2)c1C1CC1 ZINC000029753865 563435932 /nfs/dbraw/zinc/43/59/32/563435932.db2.gz IEBCAKDKKPJEEU-UHFFFAOYSA-N 0 0 323.440 3.930 50 0 DHAARN Cn1ccnc1[C@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000030643017 563437594 /nfs/dbraw/zinc/43/75/94/563437594.db2.gz KDAHJPBBYZCYMH-QGZVFWFLSA-N 0 0 311.816 3.953 50 0 DHAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1cn[nH]c1 ZINC000030663927 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COC(=O)c1ccc(NC(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000033316773 563519964 /nfs/dbraw/zinc/51/99/64/563519964.db2.gz QPSLBLRMIGZAFX-YHYXMXQVSA-N 0 0 315.756 3.779 50 0 DHAARN Cc1ccccc1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000085651216 563521367 /nfs/dbraw/zinc/52/13/67/563521367.db2.gz YISMXVJEKUIPBF-UHFFFAOYSA-N 0 0 311.450 3.775 50 0 DHAARN O=C(/C=C/c1ccccc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585149118 563521690 /nfs/dbraw/zinc/52/16/90/563521690.db2.gz YTHODYROPRQXJM-MBNRZODZSA-N 0 0 319.404 3.651 50 0 DHAARN COC[C@@H](C)c1nc(-c2ccc(OC)cc2OC)c(C)s1 ZINC000129537324 563521959 /nfs/dbraw/zinc/52/19/59/563521959.db2.gz OSUYKJBBJPIBHC-SNVBAGLBSA-N 0 0 307.415 3.886 50 0 DHAARN COc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(OC)c1 ZINC000033329010 563522626 /nfs/dbraw/zinc/52/26/26/563522626.db2.gz YCBZLCJXUBRQJG-AUWJEWJLSA-N 0 0 315.756 3.850 50 0 DHAARN C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000000074524 563522905 /nfs/dbraw/zinc/52/29/05/563522905.db2.gz GPLHTAGCEQMINT-VIFPVBQESA-N 0 0 308.230 3.557 50 0 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DHAARN Cc1c(Cl)cc(C(=O)N2CC(c3cccnc3)C2)cc1Cl ZINC000095381983 563530000 /nfs/dbraw/zinc/53/00/00/563530000.db2.gz HABFCWKPMIDDFK-UHFFFAOYSA-N 0 0 321.207 3.936 50 0 DHAARN O=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011526265 563530827 /nfs/dbraw/zinc/53/08/27/563530827.db2.gz SEBRCUUIGVXAKT-ZDUSSCGKSA-N 0 0 310.353 3.827 50 0 DHAARN c1ccc2c(c1)nc(C1CC1)cc2-c1nc([C@H]2CCOC2)no1 ZINC000096130242 563533318 /nfs/dbraw/zinc/53/33/18/563533318.db2.gz AKQQZAIXCVIIRA-LBPRGKRZSA-N 0 0 307.353 3.666 50 0 DHAARN O=C(NCCc1c[nH]cn1)Nc1ccc(C2CCCCC2)cc1 ZINC000096137609 563534175 /nfs/dbraw/zinc/53/41/75/563534175.db2.gz DRTZZGPDDXJMEY-UHFFFAOYSA-N 0 0 312.417 3.822 50 0 DHAARN CC[C@H]1C=CCN1C(=O)Nc1c(-c2ccccc2)c(C)nn1C ZINC000096139617 563534214 /nfs/dbraw/zinc/53/42/14/563534214.db2.gz IXEQXUBGKJINOU-HNNXBMFYSA-N 0 0 310.401 3.578 50 0 DHAARN CC[C@H](O)Cn1nc(C2CC2)nc1-c1ccc2oc(C)cc2c1 ZINC000096140285 563534253 /nfs/dbraw/zinc/53/42/53/563534253.db2.gz VVZSUZYMYZGXJY-HNNXBMFYSA-N 0 0 311.385 3.648 50 0 DHAARN CCCCn1nc(C2CC2)nc1-c1cc(-c2ccc(C)o2)[nH]n1 ZINC000096152840 563534666 /nfs/dbraw/zinc/53/46/66/563534666.db2.gz XDYQLVKUBDCYIC-UHFFFAOYSA-N 0 0 311.389 3.914 50 0 DHAARN COC(=O)c1cnn(-c2nc3c(cccc3C)s2)c1C(C)C ZINC000096318790 563536592 /nfs/dbraw/zinc/53/65/92/563536592.db2.gz ARWDNIJVYSYEIP-UHFFFAOYSA-N 0 0 315.398 3.700 50 0 DHAARN CC(C)c1ncc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cn1 ZINC000097117052 563537655 /nfs/dbraw/zinc/53/76/55/563537655.db2.gz SMCXAQILYXPAOY-LBPRGKRZSA-N 0 0 301.365 3.572 50 0 DHAARN CCOc1ccccc1CNc1nccc(-c2cccnc2)n1 ZINC000097370532 563539663 /nfs/dbraw/zinc/53/96/63/563539663.db2.gz NSIDFHCZHYZISI-UHFFFAOYSA-N 0 0 306.369 3.549 50 0 DHAARN CC[C@@H](NC(=O)Nc1cccc(C(C)C)c1)c1ccnn1C ZINC000097553314 563540466 /nfs/dbraw/zinc/54/04/66/563540466.db2.gz IRVXTTIKBNKGSA-OAHLLOKOSA-N 0 0 300.406 3.816 50 0 DHAARN c1cnc2c(c1)cccc2-n1nc(C2CCOCC2)nc1C1CC1 ZINC000097681698 563540886 /nfs/dbraw/zinc/54/08/86/563540886.db2.gz KATMXHZKLZEXKM-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/55/21/39/563552139.db2.gz SMKCSAZTWGTXAA-STQMWFEESA-N 0 0 301.411 3.644 50 0 DHAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000100744481 563553350 /nfs/dbraw/zinc/55/33/50/563553350.db2.gz ASDQMGPJYCIRJK-INTQDDNPSA-N 0 0 312.196 3.919 50 0 DHAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3F)C2)cc1 ZINC000101090291 563556196 /nfs/dbraw/zinc/55/61/96/563556196.db2.gz WIIWJYDWFTUIST-MRXNPFEDSA-N 0 0 310.307 3.612 50 0 DHAARN CN(Cc1ccco1)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173480 563556862 /nfs/dbraw/zinc/55/68/62/563556862.db2.gz BDEGLJSMAXWZSQ-IBGZPJMESA-N 0 0 318.376 3.805 50 0 DHAARN C[C@H](CC[C@H]1CCCO1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000248151450 563558958 /nfs/dbraw/zinc/55/89/58/563558958.db2.gz BOWSPBAZGSWPON-JJRVBVJISA-N 0 0 307.409 3.783 50 0 DHAARN CCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)nc1C ZINC000102536118 563559254 /nfs/dbraw/zinc/55/92/54/563559254.db2.gz MTRDTLKZAACULL-UHFFFAOYSA-N 0 0 315.392 3.675 50 0 DHAARN COc1cc(/C=C/C(=O)Nc2cc(F)ccc2C)cc(OC)c1 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O=C1N[C@H](c2cccc(F)c2)Nc2sc3c(c21)CCCC3 ZINC000000178357 563575298 /nfs/dbraw/zinc/57/52/98/563575298.db2.gz XGBSVYXZSSBYEU-AWEZNQCLSA-N 0 0 302.374 3.620 50 0 DHAARN COc1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1 ZINC000000180217 563575638 /nfs/dbraw/zinc/57/56/38/563575638.db2.gz AHYWMVKTQUCQDH-INIZCTEOSA-N 0 0 303.358 3.613 50 0 DHAARN O=C(CSc1ccccc1O)Nc1ccc(Cl)cc1F ZINC000050046830 563577194 /nfs/dbraw/zinc/57/71/94/563577194.db2.gz JESIRHAWUJTGTI-UHFFFAOYSA-N 0 0 311.765 3.916 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 ZINC000000222166 563579309 /nfs/dbraw/zinc/57/93/09/563579309.db2.gz CULKHJRCHPFENE-IRXDYDNUSA-N 0 0 308.360 3.872 50 0 DHAARN Oc1ccc(Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000000231934 563579839 /nfs/dbraw/zinc/57/98/39/563579839.db2.gz FKGLQHRCVKTDFC-UHFFFAOYSA-N 0 0 302.333 3.785 50 0 biogenic DHAARN O=C(NC1CCCC1)c1ccc(COc2ccc(F)cc2F)o1 ZINC000028227126 563580037 /nfs/dbraw/zinc/58/00/37/563580037.db2.gz FREJSVJEPRXXDH-UHFFFAOYSA-N 0 0 321.323 3.809 50 0 DHAARN O=S(=O)(NC1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000000235801 563580423 /nfs/dbraw/zinc/58/04/23/563580423.db2.gz HGECXMLEAWCDGP-UHFFFAOYSA-N 0 0 315.438 3.965 50 0 DHAARN CCc1ccc(C(=O)c2cnc3ccc(CC)cc3c2O)cc1 ZINC000000248787 563581805 /nfs/dbraw/zinc/58/18/05/563581805.db2.gz KZQSUPYALPYDIG-UHFFFAOYSA-N 0 0 305.377 3.884 50 0 DHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(F)c2)c1C ZINC000000253764 563582967 /nfs/dbraw/zinc/58/29/67/563582967.db2.gz YBEZXFIFCRMXMT-UHFFFAOYSA-N 0 0 318.348 3.508 50 0 DHAARN COc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000000263665 563583482 /nfs/dbraw/zinc/58/34/82/563583482.db2.gz RHJGQUJEOIRXST-UHFFFAOYSA-N 0 0 309.287 3.895 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)c(Cl)cc12 ZINC000000306482 563586773 /nfs/dbraw/zinc/58/67/73/563586773.db2.gz NNDDGYKXHGBXEG-UHFFFAOYSA-N 0 0 314.724 3.974 50 0 DHAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 ZINC000000316026 563588360 /nfs/dbraw/zinc/58/83/60/563588360.db2.gz RCCZAXFZIZYXOQ-UHFFFAOYSA-N 0 0 315.394 3.666 50 0 DHAARN C[C@H](NC(=O)Cc1cc(-c2ccc(F)cc2)on1)c1ccccc1 ZINC000011693129 563588943 /nfs/dbraw/zinc/58/89/43/563588943.db2.gz FBISKWOQYJSHFS-ZDUSSCGKSA-N 0 0 324.355 3.901 50 0 DHAARN COc1cccc(-n2c(=O)c3ccccc3nc2-c2ccco2)c1 ZINC000000351477 563590058 /nfs/dbraw/zinc/59/00/58/563590058.db2.gz BQCDUDAVIZODAR-UHFFFAOYSA-N 0 0 318.332 3.654 50 0 DHAARN COc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1 ZINC000000355467 563590172 /nfs/dbraw/zinc/59/01/72/563590172.db2.gz NROLNUQBIBNEAE-UHFFFAOYSA-N 0 0 302.355 3.767 50 0 DHAARN O=c1ccn(Cc2ccc(F)cc2)c2ccnc(C(F)(F)F)c12 ZINC000000356188 563590266 /nfs/dbraw/zinc/59/02/66/563590266.db2.gz FMQRROCSIVEZJL-UHFFFAOYSA-N 0 0 322.261 3.603 50 0 DHAARN CC1=CC[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 ZINC000100292228 563591620 /nfs/dbraw/zinc/59/16/20/563591620.db2.gz GMKLHNRYWLFCTM-QWHCGFSZSA-N 0 0 309.287 3.551 50 0 DHAARN O=C1c2ccccc2N[C@H](c2cccnc2)N1c1ccccc1F ZINC000000384395 563591742 /nfs/dbraw/zinc/59/17/42/563591742.db2.gz HYKSADLCCCMLKW-SFHVURJKSA-N 0 0 319.339 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3.767 50 0 DHAARN O=C(NCc1ccc(-c2ccco2)o1)NCc1ccc(F)cc1 ZINC000575609789 563865828 /nfs/dbraw/zinc/86/58/28/563865828.db2.gz HBUCZJJNJOPCCW-UHFFFAOYSA-N 0 0 314.316 3.678 50 0 DHAARN FC(F)(F)Oc1ccccc1-c1nnc(-c2ccccn2)o1 ZINC000000122557 563865836 /nfs/dbraw/zinc/86/58/36/563865836.db2.gz NWUNQBCVNKLXOW-UHFFFAOYSA-N 0 0 307.231 3.697 50 0 DHAARN O=C(NCc1ccco1)c1cc2occc2n1Cc1ccccc1 ZINC000035474936 563867669 /nfs/dbraw/zinc/86/76/69/563867669.db2.gz FLCZSFNGEOZECY-UHFFFAOYSA-N 0 0 320.348 3.806 50 0 DHAARN CC[C@H](C(=O)NCc1nccnc1-c1ccoc1)c1ccccc1 ZINC000575620536 563868171 /nfs/dbraw/zinc/86/81/71/563868171.db2.gz OEAYIUZFYAGMDO-INIZCTEOSA-N 0 0 321.380 3.547 50 0 DHAARN O[C@H](CSCc1coc(-c2cccs2)n1)C(F)(F)F ZINC000191106545 563871493 /nfs/dbraw/zinc/87/14/93/563871493.db2.gz IXOQCTHVCKDJAD-SECBINFHSA-N 0 0 309.334 3.560 50 0 DHAARN Cc1cn(CC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc12 ZINC000050610289 563871557 /nfs/dbraw/zinc/87/15/57/563871557.db2.gz HHCBELIOMPGSKE-IBGZPJMESA-N 0 0 319.408 3.708 50 0 DHAARN Cc1nc(-c2cc(NC(=O)c3ccccc3F)c(C)s2)no1 ZINC000035554676 563872290 /nfs/dbraw/zinc/87/22/90/563872290.db2.gz DMUPRQYJJOUDAC-UHFFFAOYSA-N 0 0 317.345 3.806 50 0 DHAARN CCOc1ccc2c(cc(C(=O)NCCc3ccccc3)n2C)c1 ZINC000035558618 563872467 /nfs/dbraw/zinc/87/24/67/563872467.db2.gz XNXFYPDFPOVZEI-UHFFFAOYSA-N 0 0 322.408 3.550 50 0 DHAARN CC[C@](C)(Nc1ccccc1)c1nnnn1-c1ccc(C)cc1 ZINC000035622111 563872883 /nfs/dbraw/zinc/87/28/83/563872883.db2.gz KRPCCOCJSIVBFP-SFHVURJKSA-N 0 0 307.401 3.708 50 0 DHAARN CN(Cc1ccco1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000013005956 563875129 /nfs/dbraw/zinc/87/51/29/563875129.db2.gz MWXXJBNZPWACOC-UHFFFAOYSA-N 0 0 308.381 3.912 50 0 DHAARN CCOc1ccc(NC(=O)c2cccc3cccnc32)cc1OC ZINC000013000967 563875144 /nfs/dbraw/zinc/87/51/44/563875144.db2.gz UCHDQPLHIRUHCX-UHFFFAOYSA-N 0 0 322.364 3.894 50 0 DHAARN CC(=O)N[C@@H](C)c1ccc(C(=O)c2cc3ccccc3o2)cc1 ZINC000013007419 563875579 /nfs/dbraw/zinc/87/55/79/563875579.db2.gz YWYHZIMIDALQDA-LBPRGKRZSA-N 0 0 307.349 3.861 50 0 DHAARN COc1ccc(Cn2nnc(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000013007681 563875593 /nfs/dbraw/zinc/87/55/93/563875593.db2.gz SRZIRYIUCCZRKO-UHFFFAOYSA-N 0 0 308.385 3.520 50 0 DHAARN CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1 ZINC000090762852 563875675 /nfs/dbraw/zinc/87/56/75/563875675.db2.gz ZVSACHBDANCMJU-VXGBXAGGSA-N 0 0 315.417 3.704 50 0 DHAARN O=C(Nc1cccc2c[nH]nc21)c1csc(-c2ccccc2)n1 ZINC000013011778 563875983 /nfs/dbraw/zinc/87/59/83/563875983.db2.gz KRNSKPOOOJCJBI-UHFFFAOYSA-N 0 0 320.377 3.939 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCc2ccc3[nH]cnc3c2)c(C)c1 ZINC000075478905 563876121 /nfs/dbraw/zinc/87/61/21/563876121.db2.gz LUENAPUXNFGDST-OAHLLOKOSA-N 0 0 321.424 3.990 50 0 DHAARN CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3)CC2=O)c1 ZINC000013022047 563876587 /nfs/dbraw/zinc/87/65/87/563876587.db2.gz DEECKTJGOATQSB-MRXNPFEDSA-N 0 0 322.408 3.549 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2cccs2)nc1 ZINC000075502219 563877066 /nfs/dbraw/zinc/87/70/66/563877066.db2.gz LETFWTQZMQTDRJ-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccccc1 ZINC000075509033 563878373 /nfs/dbraw/zinc/87/83/73/563878373.db2.gz QLHHHRAMUJFSNO-UHFFFAOYSA-N 0 0 319.408 3.890 50 0 DHAARN Cc1nc(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000053933015 563878882 /nfs/dbraw/zinc/87/88/82/563878882.db2.gz ZBSRYLFYHWBOIV-UHFFFAOYSA-N 0 0 320.417 3.953 50 0 DHAARN COc1cc(NC(=O)CCc2cccc3[nH]ccc32)cc(OC)c1 ZINC000075550488 563883544 /nfs/dbraw/zinc/88/35/44/563883544.db2.gz OOYPDYVOYQBXDE-UHFFFAOYSA-N 0 0 324.380 3.756 50 0 DHAARN O=C(c1ccncc1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191943345 563883903 /nfs/dbraw/zinc/88/39/03/563883903.db2.gz ZXLWAMRIVFZADF-UHFFFAOYSA-N 0 0 308.303 3.676 50 0 DHAARN CCn1ccc2cc(CCC(=O)NCc3ccccc3)ccc21 ZINC000075550621 563883953 /nfs/dbraw/zinc/88/39/53/563883953.db2.gz JALRHIQXDUHIAE-UHFFFAOYSA-N 0 0 306.409 3.910 50 0 DHAARN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccoc1C)CCC2 ZINC000089295749 563884343 /nfs/dbraw/zinc/88/43/43/563884343.db2.gz DOXQJVPZZQXFJU-ZDUSSCGKSA-N 0 0 304.415 3.757 50 0 DHAARN CC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccn2)c1 ZINC000089292083 563884409 /nfs/dbraw/zinc/88/44/09/563884409.db2.gz ZQQUDEBCDCAVBC-UHFFFAOYSA-N 0 0 316.788 3.899 50 0 DHAARN COCc1ccc(SCc2nnc(-c3ccco3)o2)cc1 ZINC000089420344 563886678 /nfs/dbraw/zinc/88/66/78/563886678.db2.gz OUPXFZWBQLSYHS-UHFFFAOYSA-N 0 0 302.355 3.768 50 0 DHAARN CCOC(=O)c1cc2c3c(ccc2oc1=O)oc1c3CCCC1 ZINC000000445829 563886817 /nfs/dbraw/zinc/88/68/17/563886817.db2.gz VNRXEKXQIXAYKT-UHFFFAOYSA-N 0 0 312.321 3.595 50 0 biogenic DHAARN COc1cc(F)ccc1NC(=O)c1ncoc1-c1cccs1 ZINC000089426813 563887195 /nfs/dbraw/zinc/88/71/95/563887195.db2.gz GUPNEIXYFFSVHE-UHFFFAOYSA-N 0 0 318.329 3.803 50 0 DHAARN CC1(C)[C@@]2(C(=O)N3CCCc4ccccc43)CC[C@]1(C)C(=O)C2 ZINC000003893543 563887330 /nfs/dbraw/zinc/88/73/30/563887330.db2.gz MNHDPTVCACLTCZ-UXHICEINSA-N 0 0 311.425 3.751 50 0 biogenic DHAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC(C)=O)ccc23)cc1 ZINC000000451628 563887344 /nfs/dbraw/zinc/88/73/44/563887344.db2.gz QHRRAZCJTUCZIF-UHFFFAOYSA-N 0 0 324.332 3.702 50 0 biogenic DHAARN CCc1sc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1C ZINC000013105363 563890309 /nfs/dbraw/zinc/89/03/09/563890309.db2.gz KWNMNXOSLSNBAQ-LBPRGKRZSA-N 0 0 323.458 3.613 50 0 DHAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(NCC(C)C)n1 ZINC000035988474 563891694 /nfs/dbraw/zinc/89/16/94/563891694.db2.gz CCGGEVNLYHBKIC-UHFFFAOYSA-N 0 0 309.417 3.754 50 0 DHAARN O=C(C1CCCC1)N1CCC(CCOc2ccccc2)CC1 ZINC000064678023 563892168 /nfs/dbraw/zinc/89/21/68/563892168.db2.gz ZEZWWCUZMKGMDI-UHFFFAOYSA-N 0 0 301.430 3.884 50 0 DHAARN CC(C)n1cnc2cc(CNC(=O)c3ccccc3F)ccc21 ZINC000064754981 563892959 /nfs/dbraw/zinc/89/29/59/563892959.db2.gz JOJWQHJDUFPTSW-UHFFFAOYSA-N 0 0 311.360 3.686 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3cc(C)ccc3C)ccc21 ZINC000064818591 563894431 /nfs/dbraw/zinc/89/44/31/563894431.db2.gz DUYJSDBPZLGKMT-UHFFFAOYSA-N 0 0 308.385 3.710 50 0 DHAARN C[C@@]1(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CCCO1 ZINC000154395405 563894714 /nfs/dbraw/zinc/89/47/14/563894714.db2.gz NAJMCTGMKUCYKZ-INIZCTEOSA-N 0 0 311.784 3.539 50 0 DHAARN C[C@]1(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CCCO1 ZINC000154395299 563894837 /nfs/dbraw/zinc/89/48/37/563894837.db2.gz NAJMCTGMKUCYKZ-MRXNPFEDSA-N 0 0 311.784 3.539 50 0 DHAARN O=C(NC1CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968066 563895334 /nfs/dbraw/zinc/89/53/34/563895334.db2.gz AKHWIRGYQAZWPP-UHFFFAOYSA-N 0 0 306.365 3.505 50 0 DHAARN CN1c2ccccc2C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000006831192 563895898 /nfs/dbraw/zinc/89/58/98/563895898.db2.gz UNWDUXZVYCHCKM-CQSZACIVSA-N 0 0 306.287 3.584 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2c1SCCC2=O ZINC000006841668 563896277 /nfs/dbraw/zinc/89/62/77/563896277.db2.gz XIYDRVPZTIYTFP-RISCZKNCSA-N 0 0 303.427 3.674 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccc2c1SCCC2=O ZINC000006841676 563896312 /nfs/dbraw/zinc/89/63/12/563896312.db2.gz XIYDRVPZTIYTFP-SMDDNHRTSA-N 0 0 303.427 3.674 50 0 DHAARN COc1cc(C)c(COc2ncnc3ccccc32)cc1OC ZINC000006862345 563897072 /nfs/dbraw/zinc/89/70/72/563897072.db2.gz KZBXXRZUCZYSQK-UHFFFAOYSA-N 0 0 310.353 3.534 50 0 DHAARN CC(C)c1c(C(=O)NC2CC2)cnn1-c1cccc(Cl)c1 ZINC000006871804 563897549 /nfs/dbraw/zinc/89/75/49/563897549.db2.gz SPBMGUQAQYOVLE-UHFFFAOYSA-N 0 0 303.793 3.541 50 0 DHAARN COc1ccc(C[S@@](=O)CCc2cccs2)c(Cl)c1 ZINC000195579405 563919836 /nfs/dbraw/zinc/91/98/36/563919836.db2.gz ZJYYPVNCFCRCOA-IBGZPJMESA-N 0 0 314.859 3.902 50 0 DHAARN C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccccc1 ZINC000036398289 563898693 /nfs/dbraw/zinc/89/86/93/563898693.db2.gz OFISFXLMPFQBOE-NSHDSACASA-N 0 0 308.834 3.656 50 0 DHAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(F)cc1 ZINC000006889090 563898745 /nfs/dbraw/zinc/89/87/45/563898745.db2.gz ZKSOFDVWLKLBKS-UHFFFAOYSA-N 0 0 324.307 3.640 50 0 DHAARN O=C1C[C@@H](c2noc(C3CCCCC3)n2)CN1C1CCCCC1 ZINC000169791452 563899213 /nfs/dbraw/zinc/89/92/13/563899213.db2.gz FJBWGKBSJHLJBZ-CQSZACIVSA-N 0 0 317.433 3.766 50 0 DHAARN Cc1ccc(Sc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000006936776 563899675 /nfs/dbraw/zinc/89/96/75/563899675.db2.gz PBAXWCRWZPGDHD-UHFFFAOYSA-N 0 0 321.467 3.705 50 0 DHAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccsc3)no2)cc1 ZINC000065153267 563900348 /nfs/dbraw/zinc/90/03/48/563900348.db2.gz GPNSUSDKNGBCLG-UHFFFAOYSA-N 0 0 314.366 3.729 50 0 DHAARN Cc1ccc(-n2cccc2CC(=O)N[C@H](C)c2cccnc2)cc1 ZINC000065170899 563900615 /nfs/dbraw/zinc/90/06/15/563900615.db2.gz KIHRTXIHXCRQAD-MRXNPFEDSA-N 0 0 319.408 3.601 50 0 DHAARN CCCC(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 ZINC000036630018 563901941 /nfs/dbraw/zinc/90/19/41/563901941.db2.gz CCOQEMFFBXXOHU-UHFFFAOYSA-N 0 0 306.174 3.844 50 0 DHAARN Cc1nc(-c2ccccc2)nc2c1CCC(=O)N2Cc1ccco1 ZINC000065289264 563902599 /nfs/dbraw/zinc/90/25/99/563902599.db2.gz JSAPTQXZIVOHOW-UHFFFAOYSA-N 0 0 319.364 3.524 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2C[C@H]1C ZINC000007114876 563903060 /nfs/dbraw/zinc/90/30/60/563903060.db2.gz AIBCUUJDBNJJKX-CVEARBPZSA-N 0 0 308.425 3.657 50 0 DHAARN CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000238879260 563903988 /nfs/dbraw/zinc/90/39/88/563903988.db2.gz OVNBOHWONIHAKG-KRWDZBQOSA-N 0 0 324.424 3.673 50 0 DHAARN Cc1csc(S[C@@H](C)C(=O)N2CCc3ccccc32)n1 ZINC000007195921 563904218 /nfs/dbraw/zinc/90/42/18/563904218.db2.gz JYNDAANGIYEIDE-NSHDSACASA-N 0 0 304.440 3.521 50 0 DHAARN O=C(Nc1nc2ccc(F)cc2s1)c1cnc2ccccc2n1 ZINC000007213425 563904634 /nfs/dbraw/zinc/90/46/34/563904634.db2.gz FOAHDWHJMOYGLW-UHFFFAOYSA-N 0 0 324.340 3.631 50 0 DHAARN O=C(Cc1ccccc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000007216140 563904680 /nfs/dbraw/zinc/90/46/80/563904680.db2.gz NSNZQWCIESAAAR-OAHLLOKOSA-N 0 0 301.773 3.523 50 0 DHAARN O=c1cnn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000007248421 563904934 /nfs/dbraw/zinc/90/49/34/563904934.db2.gz VDRRRDVBVSNIAK-UHFFFAOYSA-N 0 0 305.164 3.752 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(Cl)ccn1 ZINC000037108994 563906068 /nfs/dbraw/zinc/90/60/68/563906068.db2.gz NRBDGNFEAIONQK-QGZVFWFLSA-N 0 0 323.783 3.649 50 0 DHAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007409044 563906075 /nfs/dbraw/zinc/90/60/75/563906075.db2.gz BHOOVIBCTYVYIP-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)CCc1c(C)noc1C ZINC000007401272 563906111 /nfs/dbraw/zinc/90/61/11/563906111.db2.gz AGKNPRLJQQFZPU-UHFFFAOYSA-N 0 0 308.765 3.525 50 0 DHAARN Cc1nc(CCNC(=O)c2cc3c(cc(C)cc3C)[nH]2)cs1 ZINC000037149066 563906392 /nfs/dbraw/zinc/90/63/92/563906392.db2.gz ZPAQARXMCOYHEF-UHFFFAOYSA-N 0 0 313.426 3.522 50 0 DHAARN COc1ccccc1[C@H](C)Nc1cccc(C[S@](C)=O)c1 ZINC000170592763 563906687 /nfs/dbraw/zinc/90/66/87/563906687.db2.gz JBQPHBOVODUTSM-ZSEKCTLFSA-N 0 0 303.427 3.747 50 0 DHAARN CCOc1ccccc1-c1nnc(SC[C@H]2CC[C@@H](C)O2)o1 ZINC000170608247 563907734 /nfs/dbraw/zinc/90/77/34/563907734.db2.gz XBXBHKPWDBBEMX-VXGBXAGGSA-N 0 0 320.414 3.795 50 0 DHAARN CCc1nc(C)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000170608229 563907758 /nfs/dbraw/zinc/90/77/58/563907758.db2.gz MPESKOHVZNRLOW-UHFFFAOYSA-N 0 0 304.777 3.623 50 0 DHAARN CC(C)c1ccccc1NC(=O)c1ncncc1Br ZINC000170618632 563908458 /nfs/dbraw/zinc/90/84/58/563908458.db2.gz NNTBBZXLWWFWJS-UHFFFAOYSA-N 0 0 320.190 3.615 50 0 DHAARN C[C@H](O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000170617563 563908469 /nfs/dbraw/zinc/90/84/69/563908469.db2.gz ALRYXIRXPPCFTO-ZETCQYMHSA-N 0 0 318.876 3.790 50 0 DHAARN C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000170630882 563908927 /nfs/dbraw/zinc/90/89/27/563908927.db2.gz GQKQDQBNWGKTSD-HZSPNIEDSA-N 0 0 319.449 3.696 50 0 DHAARN C[C@H](NC(=O)CCCc1cccs1)c1nc2ccccc2[nH]1 ZINC000009883127 563909057 /nfs/dbraw/zinc/90/90/57/563909057.db2.gz WNUSPZYITMMCCT-LBPRGKRZSA-N 0 0 313.426 3.825 50 0 DHAARN Cc1cc(C2=NNC(=NC(C)(C)C)SC2)c(C)n1C(C)C ZINC000009884191 563909071 /nfs/dbraw/zinc/90/90/71/563909071.db2.gz YOBSPKFBNQJGPP-UHFFFAOYSA-N 0 0 306.479 3.881 50 0 DHAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)o1 ZINC000009953863 563909217 /nfs/dbraw/zinc/90/92/17/563909217.db2.gz SFFLNGZEMXXUNA-UHFFFAOYSA-N 0 0 312.369 3.513 50 0 DHAARN Cc1csc(NC(=O)NCCCSc2ccccc2)n1 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563927390 /nfs/dbraw/zinc/92/73/90/563927390.db2.gz FJGPFJKRIZBMEZ-OAHLLOKOSA-N 0 0 310.378 3.793 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000002419465 563928192 /nfs/dbraw/zinc/92/81/92/563928192.db2.gz NXWKJCKQHMPKEF-UHFFFAOYSA-N 0 0 321.380 3.735 50 0 DHAARN COc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1 ZINC000012618575 563928728 /nfs/dbraw/zinc/92/87/28/563928728.db2.gz VWBGGDCYOSSIBW-MDZDMXLPSA-N 0 0 319.307 3.949 50 0 DHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2O1 ZINC000007948837 563928992 /nfs/dbraw/zinc/92/89/92/563928992.db2.gz BYTLPCXXYXCLND-AWEZNQCLSA-N 0 0 323.270 3.527 50 0 DHAARN CC[N@H+](Cc1cccc(C)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078642982 563929703 /nfs/dbraw/zinc/92/97/03/563929703.db2.gz KIGGPXKUYLTTFL-LJQANCHMSA-N 0 0 308.425 3.622 50 0 DHAARN CCOc1nc(N[C@H](C)c2ccccc2)ncc1Br ZINC000079092056 563930195 /nfs/dbraw/zinc/93/01/95/563930195.db2.gz ALSRJCOCUQTWML-SNVBAGLBSA-N 0 0 322.206 3.811 50 0 DHAARN CCO[C@@H](C)c1nc(CNc2cccc3c2OCCO3)cs1 ZINC000079065954 563930202 /nfs/dbraw/zinc/93/02/02/563930202.db2.gz ACVLYWDFFXMDAT-NSHDSACASA-N 0 0 320.414 3.624 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1[nH]nc(C2CC2)c1Cl ZINC000079074472 563930256 /nfs/dbraw/zinc/93/02/56/563930256.db2.gz JYNAXXYMPBKTFN-UHFFFAOYSA-N 0 0 305.765 3.510 50 0 DHAARN Cc1ccsc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C(C)C ZINC000079490587 563930527 /nfs/dbraw/zinc/93/05/27/563930527.db2.gz LEXYWPPRIKJAMO-LBPRGKRZSA-N 0 0 323.443 3.964 50 0 DHAARN Cc1csc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)n1 ZINC000079481319 563930555 /nfs/dbraw/zinc/93/05/55/563930555.db2.gz QBAYOVWUBKEZCH-UHFFFAOYSA-N 0 0 316.426 3.736 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)N(CCO)Cc1ccccc1 ZINC000079636157 563930618 /nfs/dbraw/zinc/93/06/18/563930618.db2.gz NQHIEMANLCJCST-UHFFFAOYSA-N 0 0 318.804 3.675 50 0 DHAARN CCN(C(C)=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000095349792 563931070 /nfs/dbraw/zinc/93/10/70/563931070.db2.gz OMHBKGNJVUMPJI-LBPRGKRZSA-N 0 0 314.248 3.854 50 0 DHAARN CC(C)c1ccc(-c2nnc(NC(=O)NC3CC3)s2)cc1 ZINC000095352006 563931123 /nfs/dbraw/zinc/93/11/23/563931123.db2.gz NIWKJDNWUMTZLA-UHFFFAOYSA-N 0 0 302.403 3.612 50 0 DHAARN CC(C)OCc1cccc(NC(=O)NCC(C)(C)CCCO)c1 ZINC000095459130 563931490 /nfs/dbraw/zinc/93/14/90/563931490.db2.gz UNNLNCUTWCMWLU-UHFFFAOYSA-N 0 0 322.449 3.532 50 0 DHAARN COc1ccc(NC(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1 ZINC000020985432 563931832 /nfs/dbraw/zinc/93/18/32/563931832.db2.gz HPJVBSTVWJIFMP-HNNXBMFYSA-N 0 0 323.396 3.716 50 0 DHAARN O=c1cc(NCc2csc3ccccc23)nc2ccccn12 ZINC000095951821 563932162 /nfs/dbraw/zinc/93/21/62/563932162.db2.gz WNEMSVAQNMGQHY-UHFFFAOYSA-N 0 0 307.378 3.521 50 0 DHAARN CCN(C(=O)Nc1nc(C)c(C)o1)[C@H](C)c1cccc(O)c1 ZINC000095955739 563932347 /nfs/dbraw/zinc/93/23/47/563932347.db2.gz AIIGITWIDSMHRW-LLVKDONJSA-N 0 0 303.362 3.612 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000095956157 563932350 /nfs/dbraw/zinc/93/23/50/563932350.db2.gz GMKUJBOXASNPAL-UONOGXRCSA-N 0 0 302.349 3.531 50 0 DHAARN C[C@H](c1ccncc1)N(C)c1nn2cc(C(C)(C)C)nc2s1 ZINC000095956409 563932429 /nfs/dbraw/zinc/93/24/29/563932429.db2.gz KHSSMFMYOMUEBX-LLVKDONJSA-N 0 0 315.446 3.681 50 0 DHAARN Cc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)o1 ZINC000095962156 563932469 /nfs/dbraw/zinc/93/24/69/563932469.db2.gz RVWXTDCUYLINNX-CQSZACIVSA-N 0 0 301.411 3.842 50 0 DHAARN Cc1sc(CCNc2cc(C)ncn2)nc1-c1ccccc1 ZINC000095965714 563932631 /nfs/dbraw/zinc/93/26/31/563932631.db2.gz IEOIWLPIOOUYGW-UHFFFAOYSA-N 0 0 310.426 3.872 50 0 DHAARN CN(CCc1cccs1)C(=O)c1cc2ccccc2cc1N ZINC000095963172 563932687 /nfs/dbraw/zinc/93/26/87/563932687.db2.gz GCCZDUBFJAYABH-UHFFFAOYSA-N 0 0 310.422 3.798 50 0 DHAARN CC(C)[C@@H](NC(=O)N(C)C[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000095964001 563932714 /nfs/dbraw/zinc/93/27/14/563932714.db2.gz WEXDZBRWGNMWNT-CZUORRHYSA-N 0 0 324.852 3.715 50 0 DHAARN CCC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1nnc2ccccn21 ZINC000095967721 563932989 /nfs/dbraw/zinc/93/29/89/563932989.db2.gz ZTHQLTDZIHGKTD-SJORKVTESA-N 0 0 306.413 3.848 50 0 DHAARN CCC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1nnc2ccccn21 ZINC000095967724 563933017 /nfs/dbraw/zinc/93/30/17/563933017.db2.gz ZTHQLTDZIHGKTD-DLBZAZTESA-N 0 0 306.413 3.848 50 0 DHAARN NC(=O)Nc1cccc2c1CCCN2Cc1ccccc1Cl ZINC000095973197 563933663 /nfs/dbraw/zinc/93/36/63/563933663.db2.gz QHFIDPWHJPIPJJ-UHFFFAOYSA-N 0 0 315.804 3.783 50 0 DHAARN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1CC1(C)C ZINC000095973407 563933694 /nfs/dbraw/zinc/93/36/94/563933694.db2.gz SQERHBHVECGVKP-GFCCVEGCSA-N 0 0 301.308 3.590 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1C(C)C ZINC000095981247 563933839 /nfs/dbraw/zinc/93/38/39/563933839.db2.gz SUQOARDAWXZKJD-RYUDHWBXSA-N 0 0 304.434 3.767 50 0 DHAARN C[C@H]1OCC[C@H]1C(=O)N(c1cccc2cccnc21)C1CCC1 ZINC000095983284 563933881 /nfs/dbraw/zinc/93/38/81/563933881.db2.gz OYHFCSFEJARONG-CZUORRHYSA-N 0 0 310.397 3.545 50 0 DHAARN CC(C)n1cc([C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cn1 ZINC000095990534 563934153 /nfs/dbraw/zinc/93/41/53/563934153.db2.gz HROOZXSFMRMFOP-CQSZACIVSA-N 0 0 312.417 3.764 50 0 DHAARN Fc1ccc(Cn2ccnc2-c2ccnc(Cl)c2)cc1F ZINC000095990723 563934227 /nfs/dbraw/zinc/93/42/27/563934227.db2.gz COWROJRACAADSD-UHFFFAOYSA-N 0 0 305.715 3.925 50 0 DHAARN COc1cc(F)ccc1NC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000095990462 563934247 /nfs/dbraw/zinc/93/42/47/563934247.db2.gz KDWRSQMJIXXGHV-UHFFFAOYSA-N 0 0 322.424 3.673 50 0 DHAARN COC(=O)c1ccc(NCc2cccc(C)c2OC(F)F)cc1 ZINC000095997208 563934705 /nfs/dbraw/zinc/93/47/05/563934705.db2.gz XCQZSLZRLVYAFY-UHFFFAOYSA-N 0 0 321.323 3.995 50 0 DHAARN Cc1nc([C@@H]2CCCCCN2C(=O)Nc2ccccc2C)no1 ZINC000095998806 563934752 /nfs/dbraw/zinc/93/47/52/563934752.db2.gz RPPKYBOMFKNYBO-HNNXBMFYSA-N 0 0 314.389 3.836 50 0 DHAARN CSc1c(F)cc(NC(=O)N(C)Cc2ccncc2)cc1F ZINC000096010701 563934895 /nfs/dbraw/zinc/93/48/95/563934895.db2.gz JFMDJEFYARMYBI-UHFFFAOYSA-N 0 0 323.368 3.746 50 0 DHAARN CN(CCc1ccccc1O)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000096010917 563934935 /nfs/dbraw/zinc/93/49/35/563934935.db2.gz OQMOISSFBFCSBC-UHFFFAOYSA-N 0 0 323.436 3.515 50 0 DHAARN Cc1c2cc(F)ccc2oc1C(=O)NCCOc1ccccc1 ZINC000021318969 563935305 /nfs/dbraw/zinc/93/53/05/563935305.db2.gz JNALOXPTONEGTB-UHFFFAOYSA-N 0 0 313.328 3.689 50 0 DHAARN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CO ZINC000096116292 563935469 /nfs/dbraw/zinc/93/54/69/563935469.db2.gz AHNREGMNVWUHJB-UHFFFAOYSA-N 0 0 321.332 3.710 50 0 biogenic DHAARN COC1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 ZINC000096104458 563935514 /nfs/dbraw/zinc/93/55/14/563935514.db2.gz BFUPVBNUJKPCDE-UHFFFAOYSA-N 0 0 324.424 3.863 50 0 DHAARN O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccsc1 ZINC000096104054 563935515 /nfs/dbraw/zinc/93/55/15/563935515.db2.gz NCEQQFJVKKRASJ-UHFFFAOYSA-N 0 0 315.442 3.867 50 0 DHAARN O=C(N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccccn1 ZINC000096118057 563935536 /nfs/dbraw/zinc/93/55/36/563935536.db2.gz SXYAGJHCBIMRJH-OAHLLOKOSA-N 0 0 309.344 3.509 50 0 DHAARN CO[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1C ZINC000096104964 563935541 /nfs/dbraw/zinc/93/55/41/563935541.db2.gz TUDGSGJWAAEPTC-OAHLLOKOSA-N 0 0 321.779 3.905 50 0 DHAARN CO[C@@H]1CCN(c2ccc(NC(=O)Nc3ccccc3)cc2)C1 ZINC000096122317 563935643 /nfs/dbraw/zinc/93/56/43/563935643.db2.gz QQODCLOZURNWND-QGZVFWFLSA-N 0 0 311.385 3.556 50 0 DHAARN Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cc1F ZINC000281980307 563935819 /nfs/dbraw/zinc/93/58/19/563935819.db2.gz JIYGAIJZEHEKHP-UOAMXJAYSA-N 0 0 319.420 3.536 50 0 DHAARN CC(C)CC(=O)N[C@@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000096277265 563935987 /nfs/dbraw/zinc/93/59/87/563935987.db2.gz UQAAMEYJPIPSNY-OAHLLOKOSA-N 0 0 301.390 3.596 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1C ZINC000096286879 563936212 /nfs/dbraw/zinc/93/62/12/563936212.db2.gz LHZSJDWDIASMTQ-UHFFFAOYSA-N 0 0 314.410 3.894 50 0 DHAARN Cc1cccc(NC(=O)c2cnc(N3CCCCC3)nc2C)c1C ZINC000021638970 563936304 /nfs/dbraw/zinc/93/63/04/563936304.db2.gz JCBIBZZIYCABNM-UHFFFAOYSA-N 0 0 324.428 3.644 50 0 DHAARN C(=C\c1nc2ccccc2o1)\c1csc(-c2ncccn2)n1 ZINC000096308916 563936348 /nfs/dbraw/zinc/93/63/48/563936348.db2.gz BHKLVHWFCVFZOZ-SREVYHEPSA-N 0 0 306.350 3.912 50 0 DHAARN O=C(NCc1cccc(Oc2ccccn2)c1)c1ccsc1 ZINC000096382388 563936451 /nfs/dbraw/zinc/93/64/51/563936451.db2.gz VLBDDCBRKPQDHA-UHFFFAOYSA-N 0 0 310.378 3.865 50 0 DHAARN Cc1ccsc1-c1nnc(NC(=O)c2cccc(F)c2)s1 ZINC000096346728 563936480 /nfs/dbraw/zinc/93/64/80/563936480.db2.gz SDYFDOIEPXGZSC-UHFFFAOYSA-N 0 0 319.386 3.966 50 0 DHAARN CO[C@@](C)(CNC(=O)c1cc(C)oc1C)c1cccc(Cl)c1 ZINC000096392344 563936518 /nfs/dbraw/zinc/93/65/18/563936518.db2.gz JCGGOMCGTOUPHT-KRWDZBQOSA-N 0 0 321.804 3.841 50 0 DHAARN CO[C@@](C)(CNC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000096392323 563936553 /nfs/dbraw/zinc/93/65/53/563936553.db2.gz PIALWCMMVLYPSH-HNNXBMFYSA-N 0 0 309.818 3.693 50 0 DHAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c2ccccc2n1 ZINC000096403397 563936666 /nfs/dbraw/zinc/93/66/66/563936666.db2.gz FMOVVNFHEQFPDB-QGZVFWFLSA-N 0 0 320.396 3.634 50 0 DHAARN O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCC1 ZINC000096406143 563936681 /nfs/dbraw/zinc/93/66/81/563936681.db2.gz UPRSYQJGCIDYJA-UHFFFAOYSA-N 0 0 302.761 3.763 50 0 DHAARN O=C(c1cccc2ccccc21)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000096403399 563936703 /nfs/dbraw/zinc/93/67/03/563936703.db2.gz NAIHXSLOAOWEER-QGZVFWFLSA-N 0 0 305.381 3.930 50 0 DHAARN COc1cccc(-n2cnnc2S[C@H](C)c2ccncc2)c1 ZINC000096409761 563936769 /nfs/dbraw/zinc/93/67/69/563936769.db2.gz MRFDNHBGKTVBHT-GFCCVEGCSA-N 0 0 312.398 3.524 50 0 DHAARN CC[C@H](NC(=O)CCCn1ccnc1C)c1ccc(F)cc1F ZINC000096414561 563936783 /nfs/dbraw/zinc/93/67/83/563936783.db2.gz WHDJSIYQSLJKRR-INIZCTEOSA-N 0 0 321.371 3.517 50 0 DHAARN CC[C@@H](C)n1nccc1NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000096411991 563936788 /nfs/dbraw/zinc/93/67/88/563936788.db2.gz MVZGOZIBSQWZSA-CYBMUJFWSA-N 0 0 324.384 3.690 50 0 DHAARN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccncc1 ZINC000096437453 563936950 /nfs/dbraw/zinc/93/69/50/563936950.db2.gz RBNZNWKSBPEURN-BLLLJJGKSA-N 0 0 301.365 3.732 50 0 DHAARN Cc1cccc([C@H](C)CNC(=O)N(C)[C@H](C)c2ccncc2)c1 ZINC000096421643 563936976 /nfs/dbraw/zinc/93/69/76/563936976.db2.gz KFLABRZNZDONGO-HZPDHXFCSA-N 0 0 311.429 3.896 50 0 DHAARN CCCCSCCC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000096416404 563937026 /nfs/dbraw/zinc/93/70/26/563937026.db2.gz HPBYDSMEZJRXLE-ZDUSSCGKSA-N 0 0 322.474 3.746 50 0 DHAARN CNC(=O)Cc1nc(CS[C@@H](C)c2ccccc2F)cs1 ZINC000096444647 563937031 /nfs/dbraw/zinc/93/70/31/563937031.db2.gz RYILDSFOIZPILE-JTQLQIEISA-N 0 0 324.446 3.565 50 0 DHAARN Cc1ncc(CNCc2cc(C(C)C)no2)n1-c1ccccc1 ZINC000096460027 563937110 /nfs/dbraw/zinc/93/71/10/563937110.db2.gz VLXGCSXFJACURK-UHFFFAOYSA-N 0 0 310.401 3.582 50 0 DHAARN CN(Cc1nccn1C)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000096484844 563937339 /nfs/dbraw/zinc/93/73/39/563937339.db2.gz XOJGDRIPNUWCCW-UHFFFAOYSA-N 0 0 320.396 3.751 50 0 DHAARN CCSCc1ccnc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000096502469 563937576 /nfs/dbraw/zinc/93/75/76/563937576.db2.gz DKVHAWWBGUOHBM-KBPBESRZSA-N 0 0 305.447 3.599 50 0 DHAARN CCc1ccccc1NC(=O)c1cnc(N2CCCCC2)nc1C ZINC000021930973 563937630 /nfs/dbraw/zinc/93/76/30/563937630.db2.gz DSUOTIUQZAXZQA-UHFFFAOYSA-N 0 0 324.428 3.590 50 0 DHAARN Cc1nc(-c2ccccc2)sc1NC(=O)N1CCSCC1 ZINC000097107765 563937741 /nfs/dbraw/zinc/93/77/41/563937741.db2.gz BKIVJPQKMQVPKI-UHFFFAOYSA-N 0 0 319.455 3.699 50 0 DHAARN Cc1csc([C@H](C)CNC(=O)N[C@H]2CCc3ccccc32)n1 ZINC000097109754 563937924 /nfs/dbraw/zinc/93/79/24/563937924.db2.gz KUBNIQFWEOJGBB-ABAIWWIYSA-N 0 0 315.442 3.542 50 0 DHAARN C[C@H](c1ccccc1)N(C)C(=O)c1ncccc1OCC(F)F ZINC000225733060 563938484 /nfs/dbraw/zinc/93/84/84/563938484.db2.gz YINPDNCSKXCHSU-GFCCVEGCSA-N 0 0 320.339 3.559 50 0 DHAARN COc1cccc(OCc2ccc(C(=O)Nc3ccncc3)o2)c1 ZINC000028225017 563939010 /nfs/dbraw/zinc/93/90/10/563939010.db2.gz UKEMSMCHNSXDGA-UHFFFAOYSA-N 0 0 324.336 3.515 50 0 DHAARN COc1ccccc1-c1nnc(CSc2ccoc2C)o1 ZINC000131400396 563939448 /nfs/dbraw/zinc/93/94/48/563939448.db2.gz QGPKEGNCNZBDPW-UHFFFAOYSA-N 0 0 302.355 3.939 50 0 DHAARN CC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000002621177 563939531 /nfs/dbraw/zinc/93/95/31/563939531.db2.gz AODCZOBNODCBTK-UHFFFAOYSA-N 0 0 305.736 3.863 50 0 DHAARN CN(Cc1ccccc1)Cn1nc(-c2ccccc2)oc1=S ZINC000002630045 563939681 /nfs/dbraw/zinc/93/96/81/563939681.db2.gz OFLPRFYISFRQSQ-UHFFFAOYSA-N 0 0 311.410 3.962 50 0 DHAARN COc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000002628794 563939687 /nfs/dbraw/zinc/93/96/87/563939687.db2.gz SHPAEEFRPNHCRA-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN O=C(COc1ccc2c(c1)CCC2)NCc1cccc(Cl)c1 ZINC000002628491 563939732 /nfs/dbraw/zinc/93/97/32/563939732.db2.gz UPHDLSXLERLGPP-UHFFFAOYSA-N 0 0 315.800 3.524 50 0 DHAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2[nH]1 ZINC000002627108 563939740 /nfs/dbraw/zinc/93/97/40/563939740.db2.gz DHOFXKDQSOOIHQ-JTQLQIEISA-N 0 0 315.760 3.622 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)c1cc(Cl)ccc1Cl ZINC000002628477 563939781 /nfs/dbraw/zinc/93/97/81/563939781.db2.gz MGKLJYSZOKVHJE-UHFFFAOYSA-N 0 0 314.197 3.975 50 0 DHAARN CC[C@@H](C)NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000002632631 563939808 /nfs/dbraw/zinc/93/98/08/563939808.db2.gz UHLKIOAAPJUVTI-OAHLLOKOSA-N 0 0 313.397 3.559 50 0 DHAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1F ZINC000056205782 563939830 /nfs/dbraw/zinc/93/98/30/563939830.db2.gz QQQZKTPHVVTRLY-CYBMUJFWSA-N 0 0 316.376 3.972 50 0 DHAARN Cc1nc2ccc(NC(=O)COc3cccc(F)c3)cc2s1 ZINC000002639328 563939912 /nfs/dbraw/zinc/93/99/12/563939912.db2.gz UAPCJERSCHXJNX-UHFFFAOYSA-N 0 0 316.357 3.761 50 0 DHAARN Fc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000002788797 563940670 /nfs/dbraw/zinc/94/06/70/563940670.db2.gz CHFPISXFORNKSV-UHFFFAOYSA-N 0 0 310.357 3.634 50 0 DHAARN COc1ccc(-c2cc(C(F)(F)Cl)n3nccc3n2)cc1 ZINC000002786623 563940764 /nfs/dbraw/zinc/94/07/64/563940764.db2.gz QRXVJEKGVDYLPC-UHFFFAOYSA-N 0 0 309.703 3.693 50 0 DHAARN c1csc(Sc2ccc(NCc3cncnc3)nc2)c1 ZINC000162400698 563940960 /nfs/dbraw/zinc/94/09/60/563940960.db2.gz OESYOKSZNMBKMB-UHFFFAOYSA-N 0 0 300.412 3.696 50 0 DHAARN CC[C@@H](C)NC(=O)Cn1c(C)c(C(C)=O)cc1-c1ccccc1 ZINC000002929456 563941092 /nfs/dbraw/zinc/94/10/92/563941092.db2.gz ATSYUWNFRGPHMB-CYBMUJFWSA-N 0 0 312.413 3.581 50 0 DHAARN COc1ccc(OCCCCOc2ccc(OC)cc2)cc1 ZINC000002880620 563941126 /nfs/dbraw/zinc/94/11/26/563941126.db2.gz OPEIBGWSMLJQDI-UHFFFAOYSA-N 0 0 302.370 3.942 50 0 DHAARN Cc1ccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC000002928322 563941129 /nfs/dbraw/zinc/94/11/29/563941129.db2.gz WFOBXQIJIRBMOU-UHFFFAOYSA-N 0 0 304.393 3.645 50 0 aggregator DHAARN C[C@@H]1CCCCN1C(=O)CCCn1cc(-c2ccccc2)cn1 ZINC000227165131 563941520 /nfs/dbraw/zinc/94/15/20/563941520.db2.gz VGMVRVHVHMBFBB-MRXNPFEDSA-N 0 0 311.429 3.731 50 0 DHAARN CCc1cccc(NC(=O)CSCCc2ccccn2)c1 ZINC000003065779 563941899 /nfs/dbraw/zinc/94/18/99/563941899.db2.gz UIUWMTACIPMRAB-UHFFFAOYSA-N 0 0 300.427 3.558 50 0 DHAARN COc1ccc(-c2c(C)nn(Cc3ccccc3)c2N)cc1OC ZINC000003147476 563942501 /nfs/dbraw/zinc/94/25/01/563942501.db2.gz AJGRKCBMENDJTG-UHFFFAOYSA-N 0 0 323.396 3.506 50 0 DHAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 ZINC000003226744 563942988 /nfs/dbraw/zinc/94/29/88/563942988.db2.gz UMHSFKAUWWWUGL-GFCCVEGCSA-N 0 0 301.342 3.589 50 0 DHAARN CCOc1ccccc1NC(=O)c1c(Cl)nc2sccn21 ZINC000003230759 563943033 /nfs/dbraw/zinc/94/30/33/563943033.db2.gz OSEDKSYREBQPOU-UHFFFAOYSA-N 0 0 321.789 3.700 50 0 DHAARN O=C(COc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000003219880 563943048 /nfs/dbraw/zinc/94/30/48/563943048.db2.gz XZOCZSWEKMHEQZ-UHFFFAOYSA-N 0 0 314.728 3.652 50 0 DHAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccnc1 ZINC000003240963 563943094 /nfs/dbraw/zinc/94/30/94/563943094.db2.gz YPBPYEHBEMBUOR-IBGZPJMESA-N 0 0 317.344 3.863 50 0 DHAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccco1 ZINC000003241666 563943178 /nfs/dbraw/zinc/94/31/78/563943178.db2.gz DADJMQSHDRXGIE-UHFFFAOYSA-N 0 0 322.368 3.517 50 0 DHAARN CCC(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000003256710 563943248 /nfs/dbraw/zinc/94/32/48/563943248.db2.gz FPSBJSXTAGEDNL-CQSZACIVSA-N 0 0 323.392 3.636 50 0 DHAARN CCCc1cc2c(ncn(CCCC[C@@H]3CCCO3)c2=O)s1 ZINC000670435755 563943458 /nfs/dbraw/zinc/94/34/58/563943458.db2.gz PZNJGRWKTRHYDU-CYBMUJFWSA-N 0 0 320.458 3.760 50 0 DHAARN COc1cccc2c1N(C(=O)c1ccc(F)c(F)c1)CCC2 ZINC000030575194 563943470 /nfs/dbraw/zinc/94/34/70/563943470.db2.gz FPOCMXBCRIESSL-UHFFFAOYSA-N 0 0 303.308 3.566 50 0 DHAARN C[C@@H]1CCc2sc(C(=O)Nc3ccc4c(c3)OCO4)cc2C1 ZINC000003364373 563943718 /nfs/dbraw/zinc/94/37/18/563943718.db2.gz NIBQMPNUFXIWMN-SNVBAGLBSA-N 0 0 315.394 3.854 50 0 DHAARN Cc1cc(C)cc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000003387769 563943958 /nfs/dbraw/zinc/94/39/58/563943958.db2.gz GFAUFHXLZFVHFW-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN CC(C)(C)CC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000003426947 563944003 /nfs/dbraw/zinc/94/40/03/563944003.db2.gz RQKFPJFAAYOBPL-UHFFFAOYSA-N 0 0 310.825 3.551 50 0 DHAARN O=C(COc1ccc2ccc(=O)oc2c1)c1ccccc1Cl ZINC000003515335 563944120 /nfs/dbraw/zinc/94/41/20/563944120.db2.gz QAIQTSNCLJRIOO-UHFFFAOYSA-N 0 0 314.724 3.708 50 0 DHAARN O=C(COc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 ZINC000003514962 563944142 /nfs/dbraw/zinc/94/41/42/563944142.db2.gz LFLPYMKONKAERG-UHFFFAOYSA-N 0 0 324.207 3.731 50 0 DHAARN Cc1ccc(NC(=O)Cc2noc3ccccc23)c2cccnc12 ZINC000031096244 563944239 /nfs/dbraw/zinc/94/42/39/563944239.db2.gz GMHUJHDWWDFQLA-UHFFFAOYSA-N 0 0 317.348 3.866 50 0 DHAARN COc1cc(CNC(=O)C[C@H]2C=CCC2)ccc1OCC(C)C ZINC000031290636 563944297 /nfs/dbraw/zinc/94/42/97/563944297.db2.gz KHNMWSPKRBFJGV-HNNXBMFYSA-N 0 0 317.429 3.703 50 0 DHAARN CCn1nc(C2(c3ccccc3)CC2)nc1[C@@H]1CCCCN1C ZINC000670448625 563944395 /nfs/dbraw/zinc/94/43/95/563944395.db2.gz KXTXYRHBLLELPK-INIZCTEOSA-N 0 0 310.445 3.535 50 0 DHAARN COc1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)cn1 ZINC000031483755 563944487 /nfs/dbraw/zinc/94/44/87/563944487.db2.gz JZWUSPKMHFVFLH-UHFFFAOYSA-N 0 0 307.353 3.508 50 0 DHAARN COc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 ZINC000031544017 563944584 /nfs/dbraw/zinc/94/45/84/563944584.db2.gz XROBWLYSVVDLTA-UHFFFAOYSA-N 0 0 321.380 3.750 50 0 DHAARN CCn1c2ccccc2n(Cc2cc(F)cc3cccnc32)c1=O ZINC000031609689 563944605 /nfs/dbraw/zinc/94/46/05/563944605.db2.gz MHBFVFLKDCCGEL-UHFFFAOYSA-N 0 0 321.355 3.559 50 0 DHAARN COc1ccc(CNC(=O)N[C@H](C)c2cc(C)sc2C)cc1 ZINC000031662768 563944645 /nfs/dbraw/zinc/94/46/45/563944645.db2.gz OOXYPJRJLXJIRL-GFCCVEGCSA-N 0 0 318.442 3.934 50 0 DHAARN COc1ccccc1NC(=O)CSCCCc1ccccc1 ZINC000031809176 563944811 /nfs/dbraw/zinc/94/48/11/563944811.db2.gz JAUUSTPQFBZQAB-UHFFFAOYSA-N 0 0 315.438 4.000 50 0 DHAARN COc1ccc(NC(=O)CCCc2nc3ccccc3o2)cc1 ZINC000031809580 563944840 /nfs/dbraw/zinc/94/48/40/563944840.db2.gz XDUFPWLSDPOAPB-UHFFFAOYSA-N 0 0 310.353 3.798 50 0 DHAARN CC(=O)Nc1ccc2c(c1)nc(Cn1ccc3ccccc31)n2C ZINC000031818523 563944898 /nfs/dbraw/zinc/94/48/98/563944898.db2.gz UGGOHINCMZMYDC-UHFFFAOYSA-N 0 0 318.380 3.535 50 0 DHAARN Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000031864585 563944965 /nfs/dbraw/zinc/94/49/65/563944965.db2.gz FXNMFAFMEOPEFJ-VXGBXAGGSA-N 0 0 315.442 3.632 50 0 DHAARN Cc1nc(CC(=O)N(C)[C@H]2CCCc3ccccc32)cs1 ZINC000032481005 563945809 /nfs/dbraw/zinc/94/58/09/563945809.db2.gz NISUYYSDZWQLLR-INIZCTEOSA-N 0 0 300.427 3.530 50 0 DHAARN Clc1ccc(C2=NNC(=NC3CC3)SC2)cc1Cl ZINC000007986208 563945864 /nfs/dbraw/zinc/94/58/64/563945864.db2.gz PURVEQSTGIDMBA-UHFFFAOYSA-N 0 0 300.214 3.552 50 0 DHAARN CC(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000008014194 563946094 /nfs/dbraw/zinc/94/60/94/563946094.db2.gz GTQAWTGUFGEBSY-GFCCVEGCSA-N 0 0 324.380 3.782 50 0 DHAARN Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1F ZINC000008083458 563946530 /nfs/dbraw/zinc/94/65/30/563946530.db2.gz BCWXRLIVEMIZFV-UHFFFAOYSA-N 0 0 303.308 3.875 50 0 DHAARN C[C@H](C(=O)Nc1cccnc1Cl)N1CCCc2ccccc21 ZINC000008119095 563946729 /nfs/dbraw/zinc/94/67/29/563946729.db2.gz WVKOUJSOIQSLSJ-GFCCVEGCSA-N 0 0 315.804 3.515 50 0 DHAARN Cc1cc(CSc2nnc(-c3cccs3)n2C2CC2)on1 ZINC000008133663 563946763 /nfs/dbraw/zinc/94/67/63/563946763.db2.gz AXMZCHWEGAMTBO-UHFFFAOYSA-N 0 0 318.427 3.930 50 0 DHAARN O=C(C1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008156166 563947003 /nfs/dbraw/zinc/94/70/03/563947003.db2.gz PISNYIZDZWJOBZ-INIZCTEOSA-N 0 0 315.413 3.702 50 0 DHAARN CCCCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 ZINC000008296758 563947606 /nfs/dbraw/zinc/94/76/06/563947606.db2.gz HCVVQPHIMWIYQB-UHFFFAOYSA-N 0 0 301.415 3.541 50 0 DHAARN COC(=O)c1cc(OCc2cccc(OC)c2)c2ccccc2n1 ZINC000038486568 563948198 /nfs/dbraw/zinc/94/81/98/563948198.db2.gz XVBKHWLDHYQOPJ-UHFFFAOYSA-N 0 0 323.348 3.609 50 0 DHAARN Cc1cccc(N2CCN(CC(=O)c3ccc(C)cc3C)CC2)c1 ZINC000067206397 563948694 /nfs/dbraw/zinc/94/86/94/563948694.db2.gz ZEENYZMRMZPRJJ-UHFFFAOYSA-N 0 0 322.452 3.617 50 0 DHAARN CC1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000067284948 563948902 /nfs/dbraw/zinc/94/89/02/563948902.db2.gz CCZUSHZHTPFHHG-UHFFFAOYSA-N 0 0 310.376 3.772 50 0 DHAARN COc1cccc(CN2CCC[C@H]2c2nc(C(C)C)no2)c1 ZINC000067350695 563949203 /nfs/dbraw/zinc/94/92/03/563949203.db2.gz ZTOAMXMKZDUJOL-HNNXBMFYSA-N 0 0 301.390 3.539 50 0 DHAARN COC(=O)c1sccc1NC(=S)Nc1cc(C)cc(C)c1 ZINC000008682944 563949806 /nfs/dbraw/zinc/94/98/06/563949806.db2.gz AYYFYUUGYGUPDM-UHFFFAOYSA-N 0 0 320.439 3.960 50 0 DHAARN C[C@H](NC(=O)CSc1ncccc1Cl)c1cccs1 ZINC000008706041 563949943 /nfs/dbraw/zinc/94/99/43/563949943.db2.gz SWELBYFYRNTAKS-VIFPVBQESA-N 0 0 312.847 3.766 50 0 DHAARN O=C(c1cncc(-c2ccc(F)cc2Cl)n1)N1CCCCC1 ZINC000067784377 563950045 /nfs/dbraw/zinc/95/00/45/563950045.db2.gz BMPCJPOWHPSSBB-UHFFFAOYSA-N 0 0 319.767 3.562 50 0 DHAARN O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1cccs1 ZINC000008727298 563950392 /nfs/dbraw/zinc/95/03/92/563950392.db2.gz VIHZPOZESGVMSG-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN Cc1cc(SCC(=O)N[C@@H](C)C2CC2)nc2ccccc12 ZINC000008746958 563950395 /nfs/dbraw/zinc/95/03/95/563950395.db2.gz SGXDCUYRZWJORR-LBPRGKRZSA-N 0 0 300.427 3.550 50 0 DHAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(C)c(C)c1)c1cccs1 ZINC000008755554 563950596 /nfs/dbraw/zinc/95/05/96/563950596.db2.gz DJGVDBFHRRCGQY-HNNXBMFYSA-N 0 0 316.426 3.571 50 0 DHAARN CCC(CC)c1nnc(NC(=O)c2cccnc2Cl)s1 ZINC000068714432 563951155 /nfs/dbraw/zinc/95/11/55/563951155.db2.gz SZOZXSDVRLBVIO-UHFFFAOYSA-N 0 0 310.810 3.742 50 0 DHAARN CC(C)CNC(=O)NCc1cccn1Cc1ccc(Cl)cc1 ZINC000008912286 563951312 /nfs/dbraw/zinc/95/13/12/563951312.db2.gz UPBLOBJSKYBHBT-UHFFFAOYSA-N 0 0 319.836 3.645 50 0 DHAARN COc1cc(OC)c(NC(=O)Cc2ccsc2)cc1Cl ZINC000008988403 563951849 /nfs/dbraw/zinc/95/18/49/563951849.db2.gz LJXZMPHNKAKSHD-UHFFFAOYSA-N 0 0 311.790 3.600 50 0 DHAARN Cc1cnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 ZINC000009049717 563952141 /nfs/dbraw/zinc/95/21/41/563952141.db2.gz GKYZSYPZOCARDH-UHFFFAOYSA-N 0 0 304.415 3.901 50 0 DHAARN CN(Cc1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000069200868 563952143 /nfs/dbraw/zinc/95/21/43/563952143.db2.gz ITLGXVYWMUDKBR-UHFFFAOYSA-N 0 0 320.396 3.595 50 0 DHAARN O=C(Nc1ccccn1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000009060956 563952219 /nfs/dbraw/zinc/95/22/19/563952219.db2.gz WFARNFZPBYZCGB-UHFFFAOYSA-N 0 0 319.364 3.868 50 0 DHAARN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1cccc(N2CCCC2)c1 ZINC000245281231 563952324 /nfs/dbraw/zinc/95/23/24/563952324.db2.gz AJSNAFTXUAUQPU-QGTPRVQTSA-N 0 0 324.424 3.861 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2c3ccnn3[C@@H](C)C[C@H]2C)s1 ZINC000245289836 563952483 /nfs/dbraw/zinc/95/24/83/563952483.db2.gz FLFGIWXPCNBYRE-WVWOOGAGSA-N 0 0 315.442 3.743 50 0 DHAARN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CC=CCC1 ZINC000069390397 563952600 /nfs/dbraw/zinc/95/26/00/563952600.db2.gz VGBDPMZVZRQDRK-CQSZACIVSA-N 0 0 319.832 3.818 50 0 DHAARN CN(c1ccccc1)C1CCN(C(=O)Nc2cccs2)CC1 ZINC000069388184 563952653 /nfs/dbraw/zinc/95/26/53/563952653.db2.gz RCSALKHWLZCBPY-UHFFFAOYSA-N 0 0 315.442 3.881 50 0 DHAARN CSc1ccc(Cl)c(C(=O)Nc2nnc(C(C)C)[nH]2)c1 ZINC000069419053 563952849 /nfs/dbraw/zinc/95/28/49/563952849.db2.gz HHQKJTYUJDETKW-UHFFFAOYSA-N 0 0 310.810 3.556 50 0 DHAARN C[C@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)n1ccnc1 ZINC000069443184 563952933 /nfs/dbraw/zinc/95/29/33/563952933.db2.gz ONIFCTRDBRFBAD-MRXNPFEDSA-N 0 0 319.408 3.770 50 0 DHAARN CCOC1CCN(C(=O)/C=C(/C)CCc2ccccc2)CC1 ZINC000069458818 563953064 /nfs/dbraw/zinc/95/30/64/563953064.db2.gz LXFPEMCQNWKZPI-NXVVXOECSA-N 0 0 301.430 3.593 50 0 DHAARN O=C(CCn1cccn1)Nc1ccccc1SC(F)(F)F ZINC000069483971 563953070 /nfs/dbraw/zinc/95/30/70/563953070.db2.gz JFMJGCWEELQYKF-UHFFFAOYSA-N 0 0 315.320 3.524 50 0 DHAARN Cc1noc(Cl)c1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000069491036 563953164 /nfs/dbraw/zinc/95/31/64/563953164.db2.gz USYYUPXOPYHGIU-CQSZACIVSA-N 0 0 322.767 3.682 50 0 DHAARN CC(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000009136364 563953332 /nfs/dbraw/zinc/95/33/32/563953332.db2.gz JZPYQCJNZLBRHB-UHFFFAOYSA-N 0 0 322.408 3.761 50 0 DHAARN CN(C(=O)[C@@H]1CCOc2ccccc21)c1nc2ccccc2s1 ZINC000069530718 563953391 /nfs/dbraw/zinc/95/33/91/563953391.db2.gz IKDJVKSSGUQEQY-CYBMUJFWSA-N 0 0 324.405 3.825 50 0 DHAARN CCCCN1c2ccc(NC(=O)C(C)(C)C)cc2CCC1=O ZINC000009136841 563953463 /nfs/dbraw/zinc/95/34/63/563953463.db2.gz UYWNDOLMTAWDSI-UHFFFAOYSA-N 0 0 302.418 3.751 50 0 DHAARN CC(C)N(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000069559729 563953512 /nfs/dbraw/zinc/95/35/12/563953512.db2.gz GCWQBOKMADVUNW-JKSUJKDBSA-N 0 0 317.820 3.619 50 0 DHAARN CC(C)CCNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000069569241 563953552 /nfs/dbraw/zinc/95/35/52/563953552.db2.gz ZYARAVKYDWLZDM-UHFFFAOYSA-N 0 0 315.373 3.700 50 0 DHAARN Cc1csc(=O)n1CCSc1nc2ccccc2s1 ZINC000009154178 563953575 /nfs/dbraw/zinc/95/35/75/563953575.db2.gz YWVYDYXEUPASTM-UHFFFAOYSA-N 0 0 308.453 3.620 50 0 DHAARN C[C@H](Sc1n[nH]c(-c2ccccc2F)n1)c1ccncc1 ZINC000069569596 563953633 /nfs/dbraw/zinc/95/36/33/563953633.db2.gz NECDPLPMVIBUNO-JTQLQIEISA-N 0 0 300.362 3.859 50 0 DHAARN Cc1noc([C@@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000069593734 563953730 /nfs/dbraw/zinc/95/37/30/563953730.db2.gz KPDRBKWGRLBQEM-SECBINFHSA-N 0 0 316.792 3.632 50 0 DHAARN CCCC(=O)NC[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000069587935 563953743 /nfs/dbraw/zinc/95/37/43/563953743.db2.gz PQNQPSOLZWDAPC-KRWDZBQOSA-N 0 0 322.493 3.502 50 0 DHAARN CCOc1ccc(Nc2nc(C(=O)N3CCCC3)cs2)cc1 ZINC000009208695 563953979 /nfs/dbraw/zinc/95/39/79/563953979.db2.gz IPUDZNJOMGFTLB-UHFFFAOYSA-N 0 0 317.414 3.521 50 0 DHAARN Cc1cccc(OC(F)F)c1NC(=O)COC1CCCCC1 ZINC000069656267 563954020 /nfs/dbraw/zinc/95/40/20/563954020.db2.gz GTFMCOQYNDHCLR-UHFFFAOYSA-N 0 0 313.344 3.884 50 0 DHAARN Cc1ccc2cc(-c3noc(-c4ccccc4F)n3)c(=O)[nH]c2c1 ZINC000009215992 563954120 /nfs/dbraw/zinc/95/41/20/563954120.db2.gz YYXUOGKSVJZPEM-UHFFFAOYSA-N 0 0 321.311 3.693 50 0 DHAARN Cc1cc(C)c(-c2c(=O)c(=O)c2N(C)Cc2ccccc2)cc1C ZINC000009224717 563954213 /nfs/dbraw/zinc/95/42/13/563954213.db2.gz VVLJYVFCHWQMMK-UHFFFAOYSA-N 0 0 319.404 3.511 50 0 DHAARN C[C@@H](N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000009225241 563954217 /nfs/dbraw/zinc/95/42/17/563954217.db2.gz ZHJVEZUFXRDFLB-JSFDKUKPSA-N 0 0 309.409 3.888 50 0 DHAARN Cc1nn(C)c(NC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000069737256 563954317 /nfs/dbraw/zinc/95/43/17/563954317.db2.gz OEDZTVWRAXHGNO-UHFFFAOYSA-N 0 0 312.295 3.700 50 0 DHAARN CC(C)n1cc(CN[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000069737077 563954346 /nfs/dbraw/zinc/95/43/46/563954346.db2.gz VOJSNJMAKVYJAY-LLVKDONJSA-N 0 0 317.824 3.845 50 0 DHAARN COc1ccccc1[C@H]1C[C@@H]1C(=O)N(CC(F)(F)F)C(C)C ZINC000069738777 563954435 /nfs/dbraw/zinc/95/44/35/563954435.db2.gz VJUXGXVJOXTEGT-OLZOCXBDSA-N 0 0 315.335 3.598 50 0 DHAARN Fc1ccc(F)c(-c2nn3c(nnc3-c3cccs3)s2)c1 ZINC000009303850 563954700 /nfs/dbraw/zinc/95/47/00/563954700.db2.gz XKNSWPBZUFCSOS-UHFFFAOYSA-N 0 0 320.349 3.860 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 ZINC000069808697 563954862 /nfs/dbraw/zinc/95/48/62/563954862.db2.gz DAXJDASXBXYVED-UHFFFAOYSA-N 0 0 323.352 3.737 50 0 DHAARN Cc1ccc2nc(NC(=O)c3ccc4[nH]cnc4c3)sc2c1 ZINC000009317602 563954905 /nfs/dbraw/zinc/95/49/05/563954905.db2.gz ZOZXAUWGRAJOFJ-UHFFFAOYSA-N 0 0 308.366 3.733 50 0 DHAARN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(OC)c1 ZINC000009315300 563954989 /nfs/dbraw/zinc/95/49/89/563954989.db2.gz FITHILFBFUBBOR-UONOGXRCSA-N 0 0 315.344 3.585 50 0 DHAARN Cc1nccn1[C@H]1CCCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000069872704 563955055 /nfs/dbraw/zinc/95/50/55/563955055.db2.gz PYTCSXPWJCMCNL-INIZCTEOSA-N 0 0 323.396 3.723 50 0 DHAARN O=C(NCCc1nc2ccccc2[nH]1)c1csc2ccccc12 ZINC000009337915 563955184 /nfs/dbraw/zinc/95/51/84/563955184.db2.gz YBVKSRRPHNKSHP-UHFFFAOYSA-N 0 0 321.405 3.750 50 0 DHAARN C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)Nc1cn[nH]c1 ZINC000069894454 563955225 /nfs/dbraw/zinc/95/52/25/563955225.db2.gz MOQGSUOYIRJRFN-AWEZNQCLSA-N 0 0 321.384 3.600 50 0 DHAARN Cc1ccc(CNc2nccn(-c3ccc(C)cc3C)c2=O)cc1 ZINC000009320312 563955240 /nfs/dbraw/zinc/95/52/40/563955240.db2.gz YBVWNFLIUQAIFG-UHFFFAOYSA-N 0 0 319.408 3.770 50 0 DHAARN CCCCc1c(O)nc(-c2ccc(Br)cc2)oc1=O ZINC000009349850 563955407 /nfs/dbraw/zinc/95/54/07/563955407.db2.gz HYGCKUFSLFZVNI-UHFFFAOYSA-N 0 0 324.174 3.513 50 0 DHAARN C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000070039770 563955893 /nfs/dbraw/zinc/95/58/93/563955893.db2.gz RYMCZISXOCMZSW-AWEZNQCLSA-N 0 0 315.438 3.773 50 0 DHAARN CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 ZINC000009453974 563955908 /nfs/dbraw/zinc/95/59/08/563955908.db2.gz JLHGZHLCEMSQKG-UHFFFAOYSA-N 0 0 315.344 3.824 50 0 DHAARN CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000009462574 563956170 /nfs/dbraw/zinc/95/61/70/563956170.db2.gz GVVKZYQULKPFCN-UHFFFAOYSA-N 0 0 320.392 3.717 50 0 DHAARN COc1ccc(-c2ocnc2C(=O)NCc2ccccc2C)cc1 ZINC000009527279 563956534 /nfs/dbraw/zinc/95/65/34/563956534.db2.gz CNRMJROCDOUCOK-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN CC(C)[C@@H](CC(=O)N(C)[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000009547316 563956706 /nfs/dbraw/zinc/95/67/06/563956706.db2.gz WVZVDSQHFZNLSC-HUUCEWRRSA-N 0 0 307.434 3.825 50 0 DHAARN CCSc1nnc(NC(=O)C2C3CC4CC(C3)CC2C4)s1 ZINC000009533110 563956716 /nfs/dbraw/zinc/95/67/16/563956716.db2.gz AILLNTVPLAJGTM-UHFFFAOYSA-N 0 0 323.487 3.661 50 0 DHAARN Cc1c(C(=O)NCc2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000009576322 563956889 /nfs/dbraw/zinc/95/68/89/563956889.db2.gz NVUXIDXLYKQKLR-AWEZNQCLSA-N 0 0 313.397 3.524 50 0 DHAARN CC(=O)N1N=C(c2ccccc2Cl)O[C@]1(C)c1ccccc1 ZINC000009584575 563957005 /nfs/dbraw/zinc/95/70/05/563957005.db2.gz GCYNYLSUZMINRD-QGZVFWFLSA-N 0 0 314.772 3.753 50 0 DHAARN Cn1ccc2c1cccc2NC(=O)c1cn(C)c2ccccc12 ZINC000070666235 563957211 /nfs/dbraw/zinc/95/72/11/563957211.db2.gz SPXWVBXDUKSVPF-UHFFFAOYSA-N 0 0 303.365 3.922 50 0 biogenic DHAARN Cc1ccccc1Cn1cccc1CNC(=O)NCCC(C)C ZINC000009724414 563957611 /nfs/dbraw/zinc/95/76/11/563957611.db2.gz YDVAIVNBXNWQFI-UHFFFAOYSA-N 0 0 313.445 3.690 50 0 DHAARN CSc1ccc(CNC(=O)c2ccc3ncccc3c2)cc1 ZINC000071121491 563957694 /nfs/dbraw/zinc/95/76/94/563957694.db2.gz LINHJVDVUSIQGQ-UHFFFAOYSA-N 0 0 308.406 3.887 50 0 DHAARN CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000009827816 563957742 /nfs/dbraw/zinc/95/77/42/563957742.db2.gz ZUYDZIRTOSGIDB-UHFFFAOYSA-N 0 0 310.353 3.663 50 0 DHAARN Cc1cccn2cc(COc3ccccc3Br)nc12 ZINC000009862694 563957839 /nfs/dbraw/zinc/95/78/39/563957839.db2.gz UJNAHRUWQPPLGH-UHFFFAOYSA-N 0 0 317.186 3.984 50 0 DHAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000009919090 563957923 /nfs/dbraw/zinc/95/79/23/563957923.db2.gz ICWXKNNZZQLSEH-AWEZNQCLSA-N 0 0 312.413 3.561 50 0 DHAARN CSc1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 ZINC000009949437 563957986 /nfs/dbraw/zinc/95/79/86/563957986.db2.gz UPDCSBKYEVUGFG-BZNIZROVSA-N 0 0 315.394 3.576 50 0 DHAARN COc1ccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(=N)oc2c1 ZINC000071328567 563958114 /nfs/dbraw/zinc/95/81/14/563958114.db2.gz JWWIUENKJWONMW-UHFFFAOYSA-N 0 0 322.364 3.790 50 0 DHAARN O=C(NCc1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000010037483 563958193 /nfs/dbraw/zinc/95/81/93/563958193.db2.gz RLXKOYAFEMSFIC-UHFFFAOYSA-N 0 0 301.346 3.757 50 0 DHAARN O=C(CN1CCC[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000010340847 563958656 /nfs/dbraw/zinc/95/86/56/563958656.db2.gz RDQHKROYCXDGLX-KRWDZBQOSA-N 0 0 316.351 3.740 50 0 DHAARN O=C(CN1CCc2sccc2C1)Nc1ccc(Cl)cc1F ZINC000010341086 563958678 /nfs/dbraw/zinc/95/86/78/563958678.db2.gz CABNNPSIMGIXBQ-UHFFFAOYSA-N 0 0 324.808 3.537 50 0 DHAARN COc1ccc2cc(C(=O)NOCc3ccccc3)ccc2c1 ZINC000010319039 563958700 /nfs/dbraw/zinc/95/87/00/563958700.db2.gz FFTXCKQRAAGVKD-UHFFFAOYSA-N 0 0 307.349 3.710 50 0 DHAARN COc1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1C ZINC000010373006 563958746 /nfs/dbraw/zinc/95/87/46/563958746.db2.gz KBYDLYDCTVQKKV-UHFFFAOYSA-N 0 0 309.409 3.855 50 0 DHAARN O=C(N[C@@H](c1ccccc1)c1cccnc1)N1CCCCCC1 ZINC000071799679 563958751 /nfs/dbraw/zinc/95/87/51/563958751.db2.gz MTQKJMVGMKQWMA-SFHVURJKSA-N 0 0 309.413 3.757 50 0 DHAARN Cc1cc(Cl)ccc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000010406608 563958796 /nfs/dbraw/zinc/95/87/96/563958796.db2.gz MFIDRIOLKFXGOS-UHFFFAOYSA-N 0 0 317.772 3.948 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000010413574 563958931 /nfs/dbraw/zinc/95/89/31/563958931.db2.gz FGZRJPUOBGZBSF-UHFFFAOYSA-N 0 0 317.772 3.948 50 0 DHAARN Cc1[nH]c2ccccc2c1C1=CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC000071830336 563958977 /nfs/dbraw/zinc/95/89/77/563958977.db2.gz KQGHKPDWMRYQLM-MRXNPFEDSA-N 0 0 324.424 3.661 50 0 DHAARN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H](C(F)(F)F)C1 ZINC000071841984 563959214 /nfs/dbraw/zinc/95/92/14/563959214.db2.gz AAOIECSLKOYJDM-LBPRGKRZSA-N 0 0 324.302 3.756 50 0 DHAARN O=C(N[C@H]1CCC[C@H]1n1ccnc1)c1ccc2ccccc2c1 ZINC000071843155 563959240 /nfs/dbraw/zinc/95/92/40/563959240.db2.gz HZMOIRFFGTTYLX-ZWKOTPCHSA-N 0 0 305.381 3.560 50 0 DHAARN c1c2ccccc2[nH]c1C1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000071841189 563959270 /nfs/dbraw/zinc/95/92/70/563959270.db2.gz VGRJBYCFJIQXIZ-UHFFFAOYSA-N 0 0 322.412 3.808 50 0 DHAARN CC[C@H](NC(=O)N[C@H](C)Cc1ccsc1)c1nc(C)cs1 ZINC000071856655 563959504 /nfs/dbraw/zinc/95/95/04/563959504.db2.gz BXGRULKQFIGNLN-MFKMUULPSA-N 0 0 323.487 3.895 50 0 DHAARN C[C@H](C1CC1)N(C(=O)N[C@@H]1CCCOc2ccccc21)C1CC1 ZINC000073976635 563960717 /nfs/dbraw/zinc/96/07/17/563960717.db2.gz BQDIKYNXBDVVGG-CXAGYDPISA-N 0 0 314.429 3.873 50 0 DHAARN Cc1ccc([C@@H](C)N(C)Cc2nc(-c3ccccn3)no2)s1 ZINC000076749859 563960753 /nfs/dbraw/zinc/96/07/53/563960753.db2.gz JSUKLACQRXAVHY-GFCCVEGCSA-N 0 0 314.414 3.695 50 0 DHAARN Cc1cccc(C)c1OCCOc1nnc(-c2ccccc2)o1 ZINC000078392838 563960973 /nfs/dbraw/zinc/96/09/73/563960973.db2.gz BJESZOVRUKXEQA-UHFFFAOYSA-N 0 0 310.353 3.811 50 0 DHAARN CC(C)(O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000078489814 563961002 /nfs/dbraw/zinc/96/10/02/563961002.db2.gz UFIBDNMZHUCSLU-UHFFFAOYSA-N 0 0 302.321 3.512 50 0 DHAARN O=C(NCc1ccccn1)c1ccc(-c2ccc(F)cc2)s1 ZINC000025705740 568412727 /nfs/dbraw/zinc/41/27/27/568412727.db2.gz PBYAEMLEVKSJLS-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN CCOC(=O)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000025777309 568412779 /nfs/dbraw/zinc/41/27/79/568412779.db2.gz MCHAJLYOGQQAAM-LJQANCHMSA-N 0 0 322.408 3.604 50 0 DHAARN CCCCOCc1nc(-c2ccccc2)nn1-c1ccccn1 ZINC000063882982 568413215 /nfs/dbraw/zinc/41/32/15/568413215.db2.gz INCXKSKZIXWIOV-UHFFFAOYSA-N 0 0 308.385 3.646 50 0 DHAARN Cc1ccc(CN(C)C(=O)N[C@@H]2CCCc3ccccc32)nc1 ZINC000252483350 568413725 /nfs/dbraw/zinc/41/37/25/568413725.db2.gz DZKIEQWPAFHXSP-GOSISDBHSA-N 0 0 309.413 3.609 50 0 DHAARN CCNC(=O)c1ccccc1NC(=O)c1ccc(C2CCC2)cc1 ZINC000252509320 568413813 /nfs/dbraw/zinc/41/38/13/568413813.db2.gz YLAIZBUSALVXDD-UHFFFAOYSA-N 0 0 322.408 3.956 50 0 DHAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1F ZINC000002995949 568414250 /nfs/dbraw/zinc/41/42/50/568414250.db2.gz FGJZUMPPXQEYJP-UHFFFAOYSA-N 0 0 305.177 3.774 50 0 DHAARN CCOC(=O)c1c(C)nn(-c2cc(Cl)cc(Cl)c2)c1C ZINC000169805916 568414423 /nfs/dbraw/zinc/41/44/23/568414423.db2.gz BANDJCCKJCTBPK-UHFFFAOYSA-N 0 0 313.184 3.973 50 0 DHAARN Cc1ccc(C)c([C@@H]2CC(c3ccccc3)=Nc3ncnn32)c1 ZINC000102157069 568414515 /nfs/dbraw/zinc/41/45/15/568414515.db2.gz IMTDRMUSHSUGJF-SFHVURJKSA-N 0 0 302.381 3.951 50 0 DHAARN O=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccccc1 ZINC000045948960 568415454 /nfs/dbraw/zinc/41/54/54/568415454.db2.gz 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Cc1ccc(C)c(OCC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000007107191 1035287679 /nfs/dbraw/zinc/28/76/79/1035287679.db2.gz ZOGSOGPMMSZMPJ-UHFFFAOYSA-N 0 0 324.424 3.921 50 0 DHAARN Cc1ccc(-n2cccc2CC(=O)N[C@@H](C)c2ccccn2)cc1 ZINC000065307140 1035288877 /nfs/dbraw/zinc/28/88/77/1035288877.db2.gz GCMAVKKSGWPCHI-INIZCTEOSA-N 0 0 319.408 3.601 50 0 DHAARN Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3ccn(C)n3)c2c1 ZINC000084072407 1035302242 /nfs/dbraw/zinc/30/22/42/1035302242.db2.gz SZQIDOCERKBUHM-UHFFFAOYSA-N 0 0 320.396 3.715 50 0 DHAARN O=C(c1ccccc1Oc1cccnc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000084497893 1035330514 /nfs/dbraw/zinc/33/05/14/1035330514.db2.gz NXOAGNMAFQOJMA-GASCZTMLSA-N 0 0 308.381 3.746 50 0 DHAARN O=C(NCc1csc2ccccc12)c1[nH]nc2ccccc21 ZINC000057837817 1035589130 /nfs/dbraw/zinc/58/91/30/1035589130.db2.gz BCAIYFXTHPUVPC-UHFFFAOYSA-N 0 0 307.378 3.708 50 0 DHAARN Cc1cccc(C)c1NC(=O)[C@H](C)SC(=S)N1CCCC1 ZINC000007443589 1035681653 /nfs/dbraw/zinc/68/16/53/1035681653.db2.gz PZEIWJFRLSGYTB-ZDUSSCGKSA-N 0 0 322.499 3.744 50 0 DHAARN O=C(/C=C/c1cccs1)Nc1cccc(Oc2cnccn2)c1 ZINC000032029384 1035898814 /nfs/dbraw/zinc/89/88/14/1035898814.db2.gz HMFQYJJJDRCKIA-VOTSOKGWSA-N 0 0 323.377 3.982 50 0 DHAARN Cn1ccsc1=NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000254512648 1037535115 /nfs/dbraw/zinc/53/51/15/1037535115.db2.gz PIIPSBOBCXOLLY-UHFFFAOYSA-N 0 0 322.389 3.656 50 0 DHAARN O=C(Nc1cc(F)ccc1F)c1csc([C@H]2CCCO2)n1 ZINC000153954886 1037740697 /nfs/dbraw/zinc/74/06/97/1037740697.db2.gz XEBAWKUIQWYUSG-GFCCVEGCSA-N 0 0 310.325 3.525 50 0 DHAARN CC(C)n1nccc1C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000151153707 1037751218 /nfs/dbraw/zinc/75/12/18/1037751218.db2.gz LNCWSSCEOVXZMU-MRXNPFEDSA-N 0 0 312.417 3.617 50 0 DHAARN C[C@@H]1C[C@H](c2cccnc2)N(c2nnc(-c3ccccn3)s2)C1 ZINC000252570792 1037837771 /nfs/dbraw/zinc/83/77/71/1037837771.db2.gz XFRDDBXPGZGLHJ-IUODEOHRSA-N 0 0 323.425 3.583 50 0 DHAARN Cc1cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)sc1C ZINC000171254468 1039401315 /nfs/dbraw/zinc/40/13/15/1039401315.db2.gz HINGSLTWQBXOME-UHFFFAOYSA-N 0 0 314.410 3.892 50 0 DHAARN O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000171387723 1039463110 /nfs/dbraw/zinc/46/31/10/1039463110.db2.gz KWGGDQUJHKFDMA-GOSISDBHSA-N 0 0 321.380 3.773 50 0 DHAARN O=C(c1cc2ccccc2o1)N1CCC[C@H](c2nccs2)C1 ZINC000171721539 1039602882 /nfs/dbraw/zinc/60/28/82/1039602882.db2.gz QFEYVZGBWLASSN-ZDUSSCGKSA-N 0 0 312.394 3.909 50 0 DHAARN Cc1ccc(NC(=O)N2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1C ZINC000257180494 1040777619 /nfs/dbraw/zinc/77/76/19/1040777619.db2.gz DPPRHKVOBVYSPH-MAUKXSAKSA-N 0 0 322.412 3.696 50 0 DHAARN CCCN(C[C@H]1CCOC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000169762879 1040872387 /nfs/dbraw/zinc/87/23/87/1040872387.db2.gz VETPJRCVNUMOOV-GFCCVEGCSA-N 0 0 315.335 3.594 50 0 DHAARN CC[C@H](C)NC(=O)c1cc2c(s1)N(CC1CC1)CCCC2 ZINC000257196389 1041262274 /nfs/dbraw/zinc/26/22/74/1041262274.db2.gz YDKVHPLENODVSL-LBPRGKRZSA-N 0 0 306.475 3.829 50 0 DHAARN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC000170612718 1041344679 /nfs/dbraw/zinc/34/46/79/1041344679.db2.gz IPFSZGNIRCQDRC-BBOMDTFKSA-N 0 0 315.800 3.639 50 0 DHAARN Cc1nc(C)c(-c2nn3c(nnc3-c3cccs3)s2)s1 ZINC000095479534 185373644 /nfs/dbraw/zinc/37/36/44/185373644.db2.gz WAMXGRGSUXIZCM-UHFFFAOYSA-N 0 0 319.440 3.655 50 0 DHAARN Cc1ccc(-c2noc(-c3ccc4c(C)cc(C)nc4c3)n2)nn1 ZINC000095507478 185375504 /nfs/dbraw/zinc/37/55/04/185375504.db2.gz WMNOQCXNKONMIV-UHFFFAOYSA-N 0 0 317.352 3.667 50 0 DHAARN Cc1ccc(-c2ccccc2NC(=O)N(C)C[C@H]2CCOC2)o1 ZINC000095507930 185375918 /nfs/dbraw/zinc/37/59/18/185375918.db2.gz PRNQFIMLMRDCRJ-CQSZACIVSA-N 0 0 314.385 3.755 50 0 DHAARN COc1cc(Nc2nc3ccccc3o2)ccc1N1CCCC1=O ZINC000076575310 185024986 /nfs/dbraw/zinc/02/49/86/185024986.db2.gz OEZAAVJLABLOJP-UHFFFAOYSA-N 0 0 323.352 3.707 50 0 DHAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1 ZINC000095520097 185377212 /nfs/dbraw/zinc/37/72/12/185377212.db2.gz VCNUJHUVBMKFSG-INIZCTEOSA-N 0 0 323.396 3.760 50 0 DHAARN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2nccs2)cc1 ZINC000076959066 185061088 /nfs/dbraw/zinc/06/10/88/185061088.db2.gz CTZHQKRBFHXZRI-HUUCEWRRSA-N 0 0 300.427 3.686 50 0 DHAARN COc1ccc(OC)c(NC(=O)/C=C\c2sccc2C)c1 ZINC000096623787 185384530 /nfs/dbraw/zinc/38/45/30/185384530.db2.gz MDSXEPZWBZNKIC-SREVYHEPSA-N 0 0 303.383 3.726 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)/C=C\c3cccs3)ccc12 ZINC000096623681 185384584 /nfs/dbraw/zinc/38/45/84/185384584.db2.gz SAVBNHDMKAZTSF-ALCCZGGFSA-N 0 0 312.346 3.782 50 0 DHAARN O=C(CCc1ccccn1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000078878645 185121838 /nfs/dbraw/zinc/12/18/38/185121838.db2.gz QEMQVGRILCXUSV-MRXNPFEDSA-N 0 0 300.789 3.641 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ncccc3C)cc2F)n1 ZINC000078989414 185141612 /nfs/dbraw/zinc/14/16/12/185141612.db2.gz QROMCYSOHVMLJE-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN CC(C)[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000079070390 185153041 /nfs/dbraw/zinc/15/30/41/185153041.db2.gz MSPCQCUBYVRXMG-CYBMUJFWSA-N 0 0 317.820 3.644 50 0 DHAARN O=C(C[C@H]1CCCCCN1C(=O)c1cccs1)c1ccco1 ZINC000079103365 185158647 /nfs/dbraw/zinc/15/86/47/185158647.db2.gz ONFXCITWQYOQLD-CYBMUJFWSA-N 0 0 317.410 3.999 50 0 DHAARN C[C@H](Oc1ccccc1NC(=O)Cn1cccn1)c1ccccc1 ZINC000079360302 185166912 /nfs/dbraw/zinc/16/69/12/185166912.db2.gz CJBRHCDHHJKWKZ-HNNXBMFYSA-N 0 0 321.380 3.662 50 0 DHAARN C[C@@H](Oc1ccccc1NC(=O)Cn1cccn1)c1ccccc1 ZINC000079360304 185166999 /nfs/dbraw/zinc/16/69/99/185166999.db2.gz CJBRHCDHHJKWKZ-OAHLLOKOSA-N 0 0 321.380 3.662 50 0 DHAARN Cn1ccc2c1cccc2C(=O)Nc1cccc2ncccc21 ZINC000079483387 185173567 /nfs/dbraw/zinc/17/35/67/185173567.db2.gz NGVBGXIDOPJKEV-UHFFFAOYSA-N 0 0 301.349 3.979 50 0 DHAARN O=C(Nc1cc(-c2cccs2)[nH]n1)c1c(F)cccc1F ZINC000081944924 192345748 /nfs/dbraw/zinc/34/57/48/192345748.db2.gz ZHILTPFLLQTDLZ-UHFFFAOYSA-N 0 0 305.309 3.669 50 0 DHAARN Cc1ccc(CNC(=O)/C=C\c2cnn(-c3ccccc3)c2)cc1 ZINC000096911792 185391289 /nfs/dbraw/zinc/39/12/89/185391289.db2.gz KPNAVAWHOMJWFL-QXMHVHEDSA-N 0 0 317.392 3.510 50 0 DHAARN C[C@H](CCCO)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000088479110 185252695 /nfs/dbraw/zinc/25/26/95/185252695.db2.gz GVIQQDLUMQSUIQ-ZJUUUORDSA-N 0 0 319.232 3.515 50 0 DHAARN O=C(Nc1c(F)cc(F)cc1F)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000088391615 185248229 /nfs/dbraw/zinc/24/82/29/185248229.db2.gz DDPHXFIGCBERGG-GFCCVEGCSA-N 0 0 324.306 3.586 50 0 DHAARN Cc1ccc(NC(=O)/C=C\c2cc(F)cc3c2OCOC3)cc1 ZINC000096925559 185392083 /nfs/dbraw/zinc/39/20/83/185392083.db2.gz FZPXHWWIMZOPBI-DAXSKMNVSA-N 0 0 313.328 3.653 50 0 DHAARN COc1cc(/C=C2/N=C(C(C)(C)C)OC2=O)ccc1OC(C)C ZINC000096935762 185392702 /nfs/dbraw/zinc/39/27/02/185392702.db2.gz AZKBZAUCKOKRGV-UKTHLTGXSA-N 0 0 317.385 3.825 50 0 DHAARN CCCOc1ccccc1NC(=O)/C=C\c1csc(C)n1 ZINC000096936381 185392808 /nfs/dbraw/zinc/39/28/08/185392808.db2.gz PAYRWGPLPKLEHD-HJWRWDBZSA-N 0 0 302.399 3.892 50 0 DHAARN CC(=O)Nc1cccc([C@H](C)NCc2nc(C3CC3)cs2)c1 ZINC000090459071 185297762 /nfs/dbraw/zinc/29/77/62/185297762.db2.gz QXRLAHNBPFWNRD-NSHDSACASA-N 0 0 315.442 3.830 50 0 DHAARN CC(C)c1cc(C(=O)NCCc2c(F)cccc2Cl)no1 ZINC000082106718 192355995 /nfs/dbraw/zinc/35/59/95/192355995.db2.gz OEKMRXXXOMFDDY-UHFFFAOYSA-N 0 0 310.756 3.563 50 0 DHAARN OC[C@H](Cc1ccco1)Cn1ccnc1-c1cc2ccccc2o1 ZINC000082107859 192356855 /nfs/dbraw/zinc/35/68/55/192356855.db2.gz ILCCEGFEZPKRAF-CQSZACIVSA-N 0 0 322.364 3.741 50 0 DHAARN Cc1cccc2nc(=S)n(C(=O)c3ccc(Cl)cc3)n21 ZINC000000093955 190611067 /nfs/dbraw/zinc/61/10/67/190611067.db2.gz WDAMKDURCVARQH-UHFFFAOYSA-N 0 0 303.774 3.516 50 0 DHAARN O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)C1CCCC1 ZINC000005083907 190621485 /nfs/dbraw/zinc/62/14/85/190621485.db2.gz LCPXFWFOUDGLDR-UHFFFAOYSA-N 0 0 313.426 3.785 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1 ZINC000006852530 190624801 /nfs/dbraw/zinc/62/48/01/190624801.db2.gz RUTIUNRHFHRWMJ-UHFFFAOYSA-N 0 0 320.348 3.582 50 0 DHAARN CCOc1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)cc1OC ZINC000092729924 185336457 /nfs/dbraw/zinc/33/64/57/185336457.db2.gz IIBYNMAVASCSMM-OAHLLOKOSA-N 0 0 315.417 3.544 50 0 DHAARN COCCC[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC000082139069 192360585 /nfs/dbraw/zinc/36/05/85/192360585.db2.gz WKOSTMNSLRRDED-QGZVFWFLSA-N 0 0 312.413 3.656 50 0 DHAARN Clc1ccc(N2CCC(c3nccn3CC3CC3)CC2)nc1 ZINC000082134395 192360606 /nfs/dbraw/zinc/36/06/06/192360606.db2.gz DTILANSDZODQOG-UHFFFAOYSA-N 0 0 316.836 3.726 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)/C=C\c2ccccc2)c1C ZINC000096997695 185396024 /nfs/dbraw/zinc/39/60/24/185396024.db2.gz QOVUOCJLYRGORK-SEYXRHQNSA-N 0 0 308.381 3.995 50 0 DHAARN FC(F)(F)c1nn(Cc2csc(C3CC3)n2)c2ccncc21 ZINC000092918168 185349136 /nfs/dbraw/zinc/34/91/36/185349136.db2.gz ZFGBSIYXNXPVTM-UHFFFAOYSA-N 0 0 324.331 3.832 50 0 DHAARN CCOc1ccccc1NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000011467019 190634522 /nfs/dbraw/zinc/63/45/22/190634522.db2.gz LCZNXTQCECPBCR-UHFFFAOYSA-N 0 0 315.398 3.594 50 0 DHAARN CCOc1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000012359691 190635921 /nfs/dbraw/zinc/63/59/21/190635921.db2.gz ATXCDNHUGWLCFY-UHFFFAOYSA-N 0 0 321.417 3.864 50 0 DHAARN CCc1ccc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)nc1 ZINC000095391669 185351978 /nfs/dbraw/zinc/35/19/78/185351978.db2.gz JTCZJZZZUUKYGV-GOSISDBHSA-N 0 0 324.424 3.722 50 0 DHAARN CCc1nc(CN(C)C(=O)[C@H]2CSc3ccccc32)cs1 ZINC000095398465 185353607 /nfs/dbraw/zinc/35/36/07/185353607.db2.gz DXYAAXDCESWOGU-ZDUSSCGKSA-N 0 0 318.467 3.553 50 0 DHAARN Cc1noc(-c2cccnc2N2CCC[C@@H]2c2cccs2)n1 ZINC000095402802 185354886 /nfs/dbraw/zinc/35/48/86/185354886.db2.gz CDIPCVWGXCTDTO-CYBMUJFWSA-N 0 0 312.398 3.843 50 0 DHAARN CCC[C@@H](NC(=O)N[C@H](CC)c1ccncc1)c1ccccn1 ZINC000095404584 185355516 /nfs/dbraw/zinc/35/55/16/185355516.db2.gz BIBHSNXTPFTGOQ-NVXWUHKLSA-N 0 0 312.417 3.768 50 0 DHAARN O=C(Nc1ncccc1-c1ccccc1)c1ccc2nccn2c1 ZINC000181427559 199294707 /nfs/dbraw/zinc/29/47/07/199294707.db2.gz CSPYKVTWTINMIN-UHFFFAOYSA-N 0 0 314.348 3.649 50 0 DHAARN C[C@H](CNC(=O)C1(Cc2ccccc2)CCC1)c1ccncc1 ZINC000095411259 185357413 /nfs/dbraw/zinc/35/74/13/185357413.db2.gz QQLPYNWHSGGNSU-MRXNPFEDSA-N 0 0 308.425 3.714 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N[C@@H]2C=CCCC2)c(Cl)c1 ZINC000095411752 185357518 /nfs/dbraw/zinc/35/75/18/185357518.db2.gz JVSUTRGTEOOFTQ-LLVKDONJSA-N 0 0 307.781 3.529 50 0 DHAARN CSc1nc(-c2ccccc2)cn1Cc1nc(C2CC2)no1 ZINC000095414789 185358509 /nfs/dbraw/zinc/35/85/09/185358509.db2.gz ASKXZDBUWGMRTR-UHFFFAOYSA-N 0 0 312.398 3.581 50 0 DHAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1ccon1 ZINC000095418062 185359485 /nfs/dbraw/zinc/35/94/85/185359485.db2.gz IBKMRBJLCCXOIU-NSHDSACASA-N 0 0 324.833 3.781 50 0 DHAARN c1cn2cc(CN[C@H]3CSCCc4ccccc43)nc2s1 ZINC000095421032 185360328 /nfs/dbraw/zinc/36/03/28/185360328.db2.gz RQICCPXNZCEZRG-HNNXBMFYSA-N 0 0 315.467 3.516 50 0 DHAARN Cc1cc2ccccc2nc1NCc1ccc([S@@](C)=O)cc1 ZINC000095426323 185361869 /nfs/dbraw/zinc/36/18/69/185361869.db2.gz SIDWOGJMPBOFJR-QFIPXVFZSA-N 0 0 310.422 3.893 50 0 DHAARN C[S@](=O)Cc1cccc(NCc2ccc(Cl)c(F)c2)c1 ZINC000095429169 185362652 /nfs/dbraw/zinc/36/26/52/185362652.db2.gz NIWSOTCESFCUKW-HXUWFJFHSA-N 0 0 311.809 3.970 50 0 DHAARN FC(F)(F)Cn1ccc(NCc2coc(-c3ccccc3)n2)n1 ZINC000095430928 185363255 /nfs/dbraw/zinc/36/32/55/185363255.db2.gz COZFYWCYUBQIOF-UHFFFAOYSA-N 0 0 322.290 3.713 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000013985124 190639306 /nfs/dbraw/zinc/63/93/06/190639306.db2.gz XABFZHYRJGPYEZ-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(O)cc1 ZINC000095431707 185363640 /nfs/dbraw/zinc/36/36/40/185363640.db2.gz OKJDFBFLMGDHNB-CABCVRRESA-N 0 0 301.411 3.524 50 0 DHAARN CC(C)CC[C@H](C)NC(=O)c1ccc(Br)c(O)c1 ZINC000095432803 185363787 /nfs/dbraw/zinc/36/37/87/185363787.db2.gz YULPWBKIPJBLSW-JTQLQIEISA-N 0 0 314.223 3.709 50 0 DHAARN Cc1noc(C)c1[C@H](C)CNC(=O)Nc1cccc2cccnc21 ZINC000095434358 185364475 /nfs/dbraw/zinc/36/44/75/185364475.db2.gz VGKVMYUQEQPHAT-LLVKDONJSA-N 0 0 324.384 3.765 50 0 DHAARN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc2[nH]ccc21 ZINC000095435121 185364658 /nfs/dbraw/zinc/36/46/58/185364658.db2.gz QFPDBBIDYZFCRK-NSHDSACASA-N 0 0 312.394 3.621 50 0 DHAARN c1cn2cc(CN[C@@H]3CCSc4ccccc43)nc2s1 ZINC000095421018 185360623 /nfs/dbraw/zinc/36/06/23/185360623.db2.gz GPFFAXHLVUKIMF-CYBMUJFWSA-N 0 0 301.440 3.723 50 0 DHAARN Cc1cccc(C2(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)CCCC2)c1 ZINC000095451515 185368942 /nfs/dbraw/zinc/36/89/42/185368942.db2.gz ZGDJAIGVFHYRGS-CVEARBPZSA-N 0 0 313.441 3.886 50 0 DHAARN CC(C)n1ccc(CC(=O)Nc2cccnc2-c2ccccc2)n1 ZINC000095437871 185365485 /nfs/dbraw/zinc/36/54/85/185365485.db2.gz WSGWEEOBVOVDIC-UHFFFAOYSA-N 0 0 320.396 3.707 50 0 DHAARN C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000095456675 185370024 /nfs/dbraw/zinc/37/00/24/185370024.db2.gz MUSMOYSHQJVZMS-CQSZACIVSA-N 0 0 314.816 3.691 50 0 DHAARN Cc1nc(NC(=O)c2ccccc2C(F)(F)F)cc(C2CC2)n1 ZINC000097019847 185398235 /nfs/dbraw/zinc/39/82/35/185398235.db2.gz VDBOISQCQWIDDX-UHFFFAOYSA-N 0 0 321.302 3.934 50 0 DHAARN CN(C)c1cccc(COC(=O)c2cccnc2C(F)(F)F)c1 ZINC000097032079 185399278 /nfs/dbraw/zinc/39/92/78/185399278.db2.gz 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C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000172049167 198030976 /nfs/dbraw/zinc/03/09/76/198030976.db2.gz OCCKYYLDGOFUIM-LJQANCHMSA-N 0 0 310.397 3.746 50 0 DHAARN CC[C@H]1CCCCN1C(=S)NC(=O)c1ccccc1Cl ZINC000000070158 180683589 /nfs/dbraw/zinc/68/35/89/180683589.db2.gz CGBCBEFSIFTFCC-NSHDSACASA-N 0 0 310.850 3.619 50 0 DHAARN Cc1nc(-c2nccn2-c2ccc(Nc3ccccc3)nc2)co1 ZINC000072409378 191154248 /nfs/dbraw/zinc/15/42/48/191154248.db2.gz NQZGFSPKVWEUGX-UHFFFAOYSA-N 0 0 317.352 3.974 50 0 DHAARN CCOc1ccc(NC(=O)c2cc(OC)nc3ccccc32)cc1 ZINC000000090211 180689352 /nfs/dbraw/zinc/68/93/52/180689352.db2.gz KEWDXGXPABLHCL-UHFFFAOYSA-N 0 0 322.364 3.894 50 0 DHAARN Cc1[nH]nc2oc(=O)c(Cc3c(F)cccc3Cl)c(C)c12 ZINC000000089994 180689540 /nfs/dbraw/zinc/68/95/40/180689540.db2.gz UJLOVLZKMPDNSP-UHFFFAOYSA-N 0 0 306.724 3.516 50 0 DHAARN CCOc1ccc(CC(=O)Nc2ccc(F)cc2)cc1OCC ZINC000000072313 180684071 /nfs/dbraw/zinc/68/40/71/180684071.db2.gz MXTOQKFKOZRSFS-UHFFFAOYSA-N 0 0 317.360 3.804 50 0 DHAARN CCOc1cccc(/C=C2/N=C(c3ccccc3F)OC2=O)c1 ZINC000000095044 180690634 /nfs/dbraw/zinc/69/06/34/180690634.db2.gz SMTRKAQHSKFSCG-LFIBNONCSA-N 0 0 311.312 3.569 50 0 DHAARN CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000000115581 180697754 /nfs/dbraw/zinc/69/77/54/180697754.db2.gz PHKHHVJRFPMLMR-UHFFFAOYSA-N 0 0 307.777 3.994 50 0 DHAARN COc1cccc(NC(=O)c2ccc(Oc3ncccn3)cc2)c1 ZINC000072437383 191165437 /nfs/dbraw/zinc/16/54/37/191165437.db2.gz UZAXZNDJUHGWQN-UHFFFAOYSA-N 0 0 321.336 3.530 50 0 DHAARN Brc1ccc(-c2noc(CCc3ccccc3)n2)o1 ZINC000000118506 180698809 /nfs/dbraw/zinc/69/88/09/180698809.db2.gz DGTBUSDRHDFRAW-UHFFFAOYSA-N 0 0 319.158 3.877 50 0 aggregator DHAARN CC[C@H]1CCCCN1C(=O)c1ccc(Oc2ncccn2)cc1 ZINC000072437124 191165753 /nfs/dbraw/zinc/16/57/53/191165753.db2.gz UDLGCCLMVXFCQN-HNNXBMFYSA-N 0 0 311.385 3.674 50 0 DHAARN Cc1cc(OC(=O)[C@@H]2COc3ccccc3O2)cc(C)c1Cl ZINC000000118104 180698835 /nfs/dbraw/zinc/69/88/35/180698835.db2.gz DOZCTWZPVHWVBV-HNNXBMFYSA-N 0 0 318.756 3.702 50 0 DHAARN CCOc1ccc(C(F)(F)F)cc1-n1ccnc1-c1c[nH]cn1 ZINC000072437980 191166099 /nfs/dbraw/zinc/16/60/99/191166099.db2.gz BYWPPCXYHRAMFA-UHFFFAOYSA-N 0 0 322.290 3.680 50 0 DHAARN Cc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 ZINC000000123412 180700513 /nfs/dbraw/zinc/70/05/13/180700513.db2.gz JMOSPMYEEHRIKC-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C ZINC000000123481 180700539 /nfs/dbraw/zinc/70/05/39/180700539.db2.gz FIQICKZCROUBAB-UHFFFAOYSA-N 0 0 324.789 3.534 50 0 DHAARN c1cc2nc(-c3ccccc3)cc(NCCc3cscn3)n2n1 ZINC000072430972 191163542 /nfs/dbraw/zinc/16/35/42/191163542.db2.gz FNXKCMLDBVDBKM-UHFFFAOYSA-N 0 0 321.409 3.507 50 0 DHAARN C[C@H](NC(=O)c1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000072446728 191169438 /nfs/dbraw/zinc/16/94/38/191169438.db2.gz ZRFJMEQVGFWBOB-AWEZNQCLSA-N 0 0 319.364 3.760 50 0 DHAARN O=C(NCc1csc(-c2cccs2)n1)c1ccsc1 ZINC000000131589 180703602 /nfs/dbraw/zinc/70/36/02/180703602.db2.gz KWOHAQSPSUIJAT-UHFFFAOYSA-N 0 0 306.437 3.863 50 0 DHAARN O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccco1 ZINC000000150216 180709482 /nfs/dbraw/zinc/70/94/82/180709482.db2.gz YIMLRNNRCZOUHW-UHFFFAOYSA-N 0 0 324.311 3.923 50 0 DHAARN CSCCC(=O)N(C)Cc1csc(-c2cccs2)n1 ZINC000072468384 191176262 /nfs/dbraw/zinc/17/62/62/191176262.db2.gz DFSWKRVKYZXADO-UHFFFAOYSA-N 0 0 312.485 3.583 50 0 DHAARN Clc1cc(Br)ccc1I ZINC000000160565 180711750 /nfs/dbraw/zinc/71/17/50/180711750.db2.gz OHHKQBZOURGNLR-UHFFFAOYSA-N 0 0 317.351 3.707 50 0 DHAARN Cc1cc2nc(C)cc(NCc3cccc(N4CCCC4)c3)n2n1 ZINC000072478968 191178867 /nfs/dbraw/zinc/17/88/67/191178867.db2.gz MOWCCXGKNUMBLK-UHFFFAOYSA-N 0 0 321.428 3.558 50 0 DHAARN Cc1ncsc1CCN(C)C(=O)c1scc2c1CCCC2 ZINC000072479758 191181888 /nfs/dbraw/zinc/18/18/88/191181888.db2.gz WMZPRWPJHIZFSL-UHFFFAOYSA-N 0 0 320.483 3.707 50 0 DHAARN CCc1cc([C@@H](C)Nc2cc(CC)nc3c(C)c(C)nn32)on1 ZINC000072477295 191179916 /nfs/dbraw/zinc/17/99/16/191179916.db2.gz NUBMDBGRGIIONC-GFCCVEGCSA-N 0 0 313.405 3.632 50 0 DHAARN CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C1CCCC1 ZINC000072478990 191180005 /nfs/dbraw/zinc/18/00/05/191180005.db2.gz JIVYPWYTVPUSOL-UHFFFAOYSA-N 0 0 303.446 3.795 50 0 DHAARN Cc1c(Cl)cccc1NC=C1N=C(c2ccccc2)OC1=O ZINC000000197979 180722297 /nfs/dbraw/zinc/72/22/97/180722297.db2.gz PHHJQLCTMZAENN-GDNBJRDFSA-N 0 0 312.756 3.905 50 0 DHAARN CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(OC)cc2)n1 ZINC000000198453 180723072 /nfs/dbraw/zinc/72/30/72/180723072.db2.gz OGTIHBXYRARJEZ-UHFFFAOYSA-N 0 0 322.364 3.725 50 0 DHAARN Nc1ccc(Br)cc1[C@@H](O)c1ccc(Cl)cc1 ZINC000000265653 180742508 /nfs/dbraw/zinc/74/25/08/180742508.db2.gz XVNKLNAILNKVOF-ZDUSSCGKSA-N 0 0 312.594 3.766 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000000291417 180749347 /nfs/dbraw/zinc/74/93/47/180749347.db2.gz SZDOORBJDNLPSL-INIZCTEOSA-N 0 0 322.408 3.603 50 0 DHAARN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000000306176 180754505 /nfs/dbraw/zinc/75/45/05/180754505.db2.gz ZDGVMTNVIOUIBS-CYBMUJFWSA-N 0 0 324.449 3.940 50 0 DHAARN COc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000000381214 180772111 /nfs/dbraw/zinc/77/21/11/180772111.db2.gz NQPQBDLNSYTBKD-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN CC(C)c1nn2c(nnc2-c2cccc(C(F)(F)F)c2)s1 ZINC000000385184 180773587 /nfs/dbraw/zinc/77/35/87/180773587.db2.gz RADPFEMHTRGETQ-UHFFFAOYSA-N 0 0 312.320 3.995 50 0 DHAARN C[C@H]1C(=O)O[C@H](c2ccc(Cl)cc2Cl)C(C)(C)C1=O ZINC000000351342 180764048 /nfs/dbraw/zinc/76/40/48/180764048.db2.gz XQENWXGXIYCFMK-JMCQJSRRSA-N 0 0 301.169 3.823 50 0 DHAARN S=C1N=NC(Cc2ccccc2)N1c1ccc(Cl)cc1 ZINC000000390276 180775049 /nfs/dbraw/zinc/77/50/49/180775049.db2.gz JDJDUNCKBAJQLX-UHFFFAOYSA-N 0 0 301.802 3.800 50 0 DHAARN CSc1ccc(NC(=O)OCC(=O)c2ccccc2)cc1 ZINC000000397771 180776873 /nfs/dbraw/zinc/77/68/73/180776873.db2.gz YSEDMLQTVICOCO-UHFFFAOYSA-N 0 0 301.367 3.840 50 0 DHAARN COc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000434716 180790796 /nfs/dbraw/zinc/79/07/96/180790796.db2.gz AIRNWHMFXOUKCB-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 biogenic DHAARN CNc1nnc(SCc2ncc(-c3ccccc3F)o2)s1 ZINC000173026782 198178774 /nfs/dbraw/zinc/17/87/74/198178774.db2.gz YOUPFQAVLDJFCF-UHFFFAOYSA-N 0 0 322.390 3.666 50 0 DHAARN O=C(Nc1cccnc1Cl)c1cc(-c2ccc(F)cc2)on1 ZINC000000423593 180785072 /nfs/dbraw/zinc/78/50/72/180785072.db2.gz RYYNONNPLIDRHP-UHFFFAOYSA-N 0 0 317.707 3.781 50 0 DHAARN O=C1CS[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1F ZINC000000423913 180785172 /nfs/dbraw/zinc/78/51/72/180785172.db2.gz ZHRROMSKXRYYOF-OAHLLOKOSA-N 0 0 309.312 3.883 50 0 DHAARN O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccccc2)s1 ZINC000000449384 180794584 /nfs/dbraw/zinc/79/45/84/180794584.db2.gz PTAULROAABFOAB-VAWYXSNFSA-N 0 0 307.378 3.857 50 0 DHAARN Brc1cccc(-c2nc(-c3cccnc3)no2)c1 ZINC000000447931 180794619 /nfs/dbraw/zinc/79/46/19/180794619.db2.gz GWAJPCSPGNVNOC-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccccn2)no1 ZINC000000472248 180801711 /nfs/dbraw/zinc/80/17/11/180801711.db2.gz HHJUOOSQRCPHGU-SNVBAGLBSA-N 0 0 301.733 3.925 50 0 DHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc21 ZINC000000475831 180803187 /nfs/dbraw/zinc/80/31/87/180803187.db2.gz FRZDGSQLKZUCOB-LBPRGKRZSA-N 0 0 301.773 3.697 50 0 DHAARN CC(=O)c1c(OC(=O)c2ccccc2)ccc2c(C)cc(=O)oc21 ZINC000000485763 180805412 /nfs/dbraw/zinc/80/54/12/180805412.db2.gz DODFXUYTPMXGSV-UHFFFAOYSA-N 0 0 322.316 3.523 50 0 biogenic DHAARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)CC1=O ZINC000000501601 180808878 /nfs/dbraw/zinc/80/88/78/180808878.db2.gz DZGGDIZVBUXUFO-IUCAKERBSA-N 0 0 315.200 3.825 50 0 DHAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)s1 ZINC000000470315 180801133 /nfs/dbraw/zinc/80/11/33/180801133.db2.gz LTGDANNASYXQTL-VIFPVBQESA-N 0 0 313.831 3.541 50 0 DHAARN CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000000528353 180814191 /nfs/dbraw/zinc/81/41/91/180814191.db2.gz NVFURVHHLDXBEI-UHFFFAOYSA-N 0 0 307.440 3.826 50 0 DHAARN Cc1cc(OCC(=O)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 ZINC000000530849 180814702 /nfs/dbraw/zinc/81/47/02/180814702.db2.gz AJKMPXMACDFQRX-UHFFFAOYSA-N 0 0 322.360 3.980 50 0 DHAARN Cc1ccccc1-c1nnc2n1N=C(c1ccccc1)CS2 ZINC000000530508 180814707 /nfs/dbraw/zinc/81/47/07/180814707.db2.gz AJXUJIFLPRCCLW-UHFFFAOYSA-N 0 0 306.394 3.612 50 0 DHAARN Cc1ccc(CSc2nnc(C3CCCCC3)n2N)cc1 ZINC000000531332 180815388 /nfs/dbraw/zinc/81/53/88/180815388.db2.gz KQFITSIISWEHOY-UHFFFAOYSA-N 0 0 302.447 3.640 50 0 DHAARN CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000000533107 180816045 /nfs/dbraw/zinc/81/60/45/180816045.db2.gz YECLRRWRYMCKQN-OAHLLOKOSA-N 0 0 319.408 3.885 50 0 DHAARN O=C(COc1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000000545979 180818566 /nfs/dbraw/zinc/81/85/66/180818566.db2.gz MTOBHXNUSJKJIM-UHFFFAOYSA-N 0 0 309.409 3.694 50 0 DHAARN CCOc1ccc(N2C(=S)N=NC2c2ccccc2F)cc1 ZINC000000611085 180827853 /nfs/dbraw/zinc/82/78/53/180827853.db2.gz SSWXPQXYWQLADR-UHFFFAOYSA-N 0 0 315.373 3.761 50 0 DHAARN COC(=O)c1ccccc1NC(=O)N[C@H]1CCCc2ccccc21 ZINC000000610836 180827966 /nfs/dbraw/zinc/82/79/66/180827966.db2.gz AWSDAXZZHQEPCW-INIZCTEOSA-N 0 0 324.380 3.672 50 0 DHAARN Cc1ccc(OC(F)F)c(NC(=S)NC2CCCC2)c1 ZINC000000612174 180828470 /nfs/dbraw/zinc/82/84/70/180828470.db2.gz LBMZIEXLYZYWRQ-UHFFFAOYSA-N 0 0 300.374 3.825 50 0 DHAARN CCN(C(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 ZINC000000561721 180822027 /nfs/dbraw/zinc/82/20/27/180822027.db2.gz BXRYXAYGMWYSMM-UHFFFAOYSA-N 0 0 311.410 3.708 50 0 DHAARN COc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1O ZINC000000817700 180835546 /nfs/dbraw/zinc/83/55/46/180835546.db2.gz AIJLQRQWYKZVFT-SFHVURJKSA-N 0 0 307.353 3.545 50 0 DHAARN Cc1c(C)c2ccc(OC(=O)c3cccs3)cc2oc1=O ZINC000000858686 180835718 /nfs/dbraw/zinc/83/57/18/180835718.db2.gz INDSAXNWHOOKBJ-UHFFFAOYSA-N 0 0 300.335 3.691 50 0 DHAARN C[C@@H]1CCCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000000830002 180835892 /nfs/dbraw/zinc/83/58/92/180835892.db2.gz CSHQNBUEFJQXNP-SNVBAGLBSA-N 0 0 302.201 3.773 50 0 DHAARN O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1ccccc1 ZINC000001057020 180844090 /nfs/dbraw/zinc/84/40/90/180844090.db2.gz FECVWTWBRSSNCK-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN COc1cc(Cl)cc(OC)c1NC(=O)Cc1cccs1 ZINC000001009503 180841029 /nfs/dbraw/zinc/84/10/29/180841029.db2.gz DTLOMGUDCIEAND-UHFFFAOYSA-N 0 0 311.790 3.600 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000001204270 180849224 /nfs/dbraw/zinc/84/92/24/180849224.db2.gz JACUGKRAQATSFC-UHFFFAOYSA-N 0 0 302.761 3.941 50 0 DHAARN O=C(COc1ccc(Cl)cc1)NCCc1cccc(Cl)c1 ZINC000001217754 180850065 /nfs/dbraw/zinc/85/00/65/180850065.db2.gz NHODEHCZCCSWHC-UHFFFAOYSA-N 0 0 324.207 3.731 50 0 DHAARN COc1ccc(N2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000001243190 180851332 /nfs/dbraw/zinc/85/13/32/180851332.db2.gz HFEHIYAIMHYCLR-UHFFFAOYSA-N 0 0 317.801 3.885 50 0 DHAARN O=C(c1ccc(Cl)cc1)n1c(=O)oc2cc(Cl)ccc21 ZINC000001512920 180870890 /nfs/dbraw/zinc/87/08/90/180870890.db2.gz UCAGKKMKLYGCHT-UHFFFAOYSA-N 0 0 308.120 3.590 50 0 biogenic DHAARN COc1cc(/C=C/C(=O)Nc2nccs2)ccc1OC(C)C ZINC000001945490 180903561 /nfs/dbraw/zinc/90/35/61/180903561.db2.gz UNRPTDDHXRMRRJ-FNORWQNLSA-N 0 0 318.398 3.591 50 0 DHAARN Cc1ccccc1Cc1nnc2sc(-c3cccs3)nn12 ZINC000002183307 180914702 /nfs/dbraw/zinc/91/47/02/180914702.db2.gz QMZMFCCXOTXOSL-UHFFFAOYSA-N 0 0 312.423 3.814 50 0 DHAARN O=C(Cc1ccccc1)c1ccccc1I ZINC000002392937 180922281 /nfs/dbraw/zinc/92/22/81/180922281.db2.gz BTPSGRKMOFIPPW-UHFFFAOYSA-N 0 0 322.145 3.717 50 0 DHAARN O=C(NC1CCCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000002661327 180945433 /nfs/dbraw/zinc/94/54/33/180945433.db2.gz AOHGWLYZVBCVCN-SFHVURJKSA-N 0 0 317.429 3.697 50 0 DHAARN COc1ccc2oc(C(=O)OCc3c(C)noc3C)c(C)c2c1 ZINC000002662504 180946381 /nfs/dbraw/zinc/94/63/81/180946381.db2.gz PZRKMBJSDTUITP-UHFFFAOYSA-N 0 0 315.325 3.712 50 0 DHAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC(C)C ZINC000098081497 563524124 /nfs/dbraw/zinc/52/41/24/563524124.db2.gz GVLYDUBVMRMQIR-UHFFFAOYSA-N 0 0 309.816 3.778 50 0 DHAARN Cc1ccc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000002702325 180948008 /nfs/dbraw/zinc/94/80/08/180948008.db2.gz KIPYZSNWYRILFX-UHFFFAOYSA-N 0 0 321.376 3.835 50 0 DHAARN CCCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000002721250 180949058 /nfs/dbraw/zinc/94/90/58/180949058.db2.gz NNPDDOXKZAEOOE-UHFFFAOYSA-N 0 0 311.360 3.515 50 0 DHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000002721975 180949389 /nfs/dbraw/zinc/94/93/89/180949389.db2.gz QSAOMXJKHXUBQB-UHFFFAOYSA-N 0 0 322.364 3.905 50 0 DHAARN C[C@@]1(C(=O)Nc2nc3ccccc3s2)CC1(Cl)Cl ZINC000002772781 180954630 /nfs/dbraw/zinc/95/46/30/180954630.db2.gz GTKGWZZHPKVQAB-NSHDSACASA-N 0 0 301.198 3.819 50 0 DHAARN COc1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000002789185 180957627 /nfs/dbraw/zinc/95/76/27/180957627.db2.gz KBQHAJPHLVALCZ-UHFFFAOYSA-N 0 0 324.207 3.861 50 0 DHAARN CC[C@H](Oc1ccccc1)C(=O)NCCCCc1ccccc1 ZINC000002790547 180958141 /nfs/dbraw/zinc/95/81/41/180958141.db2.gz LDQRRMKXMRDJIH-IBGZPJMESA-N 0 0 311.425 3.983 50 0 DHAARN COc1cccc(C2=NC(=CNc3ccc(C)cc3C)C(=O)O2)c1 ZINC000002946719 180971407 /nfs/dbraw/zinc/97/14/07/180971407.db2.gz QUDLRDBIQRNFDN-BOPFTXTBSA-N 0 0 322.364 3.569 50 0 DHAARN O=C(c1ccc(Br)s1)N1CCc2ccccc2C1 ZINC000002872541 180965706 /nfs/dbraw/zinc/96/57/06/180965706.db2.gz CDQZPPMDZCCTER-UHFFFAOYSA-N 0 0 322.227 3.709 50 0 DHAARN CCN(CC)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000002879523 180966379 /nfs/dbraw/zinc/96/63/79/180966379.db2.gz PAKUQEWBWBPVQY-UHFFFAOYSA-N 0 0 320.392 3.886 50 0 DHAARN Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003217060 180992316 /nfs/dbraw/zinc/99/23/16/180992316.db2.gz KTAKDTQPERJTQL-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN Cc1cccc(NC(=O)COC(=O)c2ccc(F)cc2Cl)c1 ZINC000003231656 180993782 /nfs/dbraw/zinc/99/37/82/180993782.db2.gz RGQSPBXHMCJJHZ-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN COc1ccc(C2=N/C(=C\c3cc(C)ccc3C)C(=O)O2)cc1 ZINC000003245003 180995691 /nfs/dbraw/zinc/99/56/91/180995691.db2.gz ZMSZHXPMDLPSDO-BOPFTXTBSA-N 0 0 307.349 3.657 50 0 DHAARN CC(=O)c1ccc(NC(=S)Nc2cccnc2Cl)cc1 ZINC000003257758 180997548 /nfs/dbraw/zinc/99/75/48/180997548.db2.gz WXUCMZKJOLOXES-UHFFFAOYSA-N 0 0 305.790 3.747 50 0 DHAARN 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Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000003389235 181014480 /nfs/dbraw/zinc/01/44/80/181014480.db2.gz RJTXGQXPHRNDAT-ZETCQYMHSA-N 0 0 313.835 3.619 50 0 DHAARN CC(=O)c1ccc(NC(=S)NCCCc2ccccc2)cc1 ZINC000003338584 181008703 /nfs/dbraw/zinc/00/87/03/181008703.db2.gz RKNMNRCSKSLWNJ-UHFFFAOYSA-N 0 0 312.438 3.808 50 0 DHAARN Cc1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1 ZINC000003359338 181011059 /nfs/dbraw/zinc/01/10/59/181011059.db2.gz UCQZIDYEPARDDJ-UHFFFAOYSA-N 0 0 302.377 3.742 50 0 DHAARN COc1ccc(NC(=O)COc2cccc(C)c2C)cc1Cl ZINC000003455420 181022395 /nfs/dbraw/zinc/02/23/95/181022395.db2.gz ZAISWWIKLNTERK-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC(C)C ZINC000003402172 181015179 /nfs/dbraw/zinc/01/51/79/181015179.db2.gz FETJFAMQISYKMC-UHFFFAOYSA-N 0 0 319.836 3.587 50 0 DHAARN Cc1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1C ZINC000003411750 181016512 /nfs/dbraw/zinc/01/65/12/181016512.db2.gz GFWIPGONJPKWPO-UHFFFAOYSA-N 0 0 321.380 3.507 50 0 DHAARN C[C@H]1CCCCN1C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003413706 181016779 /nfs/dbraw/zinc/01/67/79/181016779.db2.gz RLKJQEZLORTTJE-HNNXBMFYSA-N 0 0 307.393 3.932 50 0 DHAARN Cc1ccccc1CN(C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000003423776 181017741 /nfs/dbraw/zinc/01/77/41/181017741.db2.gz RDLOHYCJUWIJSN-HXUWFJFHSA-N 0 0 322.452 3.621 50 0 DHAARN COc1ccc(C(C)=O)cc1COC(=O)C=Cc1ccc(C)o1 ZINC000003431686 181018868 /nfs/dbraw/zinc/01/88/68/181018868.db2.gz IZHHQGXVALIDRL-VQHVLOKHSA-N 0 0 314.337 3.556 50 0 DHAARN CC(=O)Nc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1 ZINC000003433073 181018905 /nfs/dbraw/zinc/01/89/05/181018905.db2.gz FOQQTIBQQSCYAK-UHFFFAOYSA-N 0 0 321.735 3.795 50 0 DHAARN Cc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000003443026 181020245 /nfs/dbraw/zinc/02/02/45/181020245.db2.gz MUCSQTUCEJJZKG-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000003442942 181020419 /nfs/dbraw/zinc/02/04/19/181020419.db2.gz MMSKOKGZHYLZNI-GFCCVEGCSA-N 0 0 317.772 3.832 50 0 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CCOc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000003605862 181039582 /nfs/dbraw/zinc/03/95/82/181039582.db2.gz IKQYGTMFSMRXKX-UHFFFAOYSA-N 0 0 323.751 3.895 50 0 DHAARN C[C@H](NC(=O)c1noc2c1CCc1ccccc1-2)c1ccccc1 ZINC000003909415 181057364 /nfs/dbraw/zinc/05/73/64/181057364.db2.gz CFPVHTMIUXGWJK-ZDUSSCGKSA-N 0 0 318.376 3.931 50 0 DHAARN CCOC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003901579 181054873 /nfs/dbraw/zinc/05/48/73/181054873.db2.gz MKFGYEVGPSATGW-UHFFFAOYSA-N 0 0 310.305 3.995 50 0 DHAARN CCCc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)no1 ZINC000003908981 181056352 /nfs/dbraw/zinc/05/63/52/181056352.db2.gz OQYIUVMQGCAHAR-UHFFFAOYSA-N 0 0 314.263 3.778 50 0 DHAARN Cc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1C ZINC000003908315 181056484 /nfs/dbraw/zinc/05/64/84/181056484.db2.gz HNPRPWPPVORLIW-UHFFFAOYSA-N 0 0 308.337 3.916 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccco2)on1 ZINC000003908408 181056667 /nfs/dbraw/zinc/05/66/67/181056667.db2.gz PSVCIZJICYHTIV-UHFFFAOYSA-N 0 0 306.680 3.979 50 0 DHAARN 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COc1ccc(CNC(=S)Nc2cccc3cnccc32)cc1 ZINC000016212738 182037221 /nfs/dbraw/zinc/03/72/21/182037221.db2.gz MXOQGSALHODUTD-UHFFFAOYSA-N 0 0 323.421 3.730 50 0 DHAARN COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000016301170 182039469 /nfs/dbraw/zinc/03/94/69/182039469.db2.gz LAAKBUAFFYIZBT-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN Cc1cc(=O)[nH]c(SCCOc2c(C)ccc(C)c2Cl)n1 ZINC000016362256 182041782 /nfs/dbraw/zinc/04/17/82/182041782.db2.gz NOMVIIJAGSPLOZ-UHFFFAOYSA-N 0 0 324.833 3.520 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccncc1)C1CC1 ZINC000016499803 182047402 /nfs/dbraw/zinc/04/74/02/182047402.db2.gz ACHCOKAPPCUUTJ-UHFFFAOYSA-N 0 0 301.777 3.932 50 0 DHAARN CCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000016577245 182049866 /nfs/dbraw/zinc/04/98/66/182049866.db2.gz XSAZCGREMNGRHB-AWEZNQCLSA-N 0 0 323.396 3.555 50 0 DHAARN Cc1cc(OC(C)(C)C(=O)Nc2ccon2)cc(C)c1Cl ZINC000016603713 182052314 /nfs/dbraw/zinc/05/23/14/182052314.db2.gz SFUFGLQWTSQYHP-UHFFFAOYSA-N 0 0 308.765 3.741 50 0 DHAARN CCCc1sc(C(=O)N2CCCC2)cc1Br ZINC000016603853 182052575 /nfs/dbraw/zinc/05/25/75/182052575.db2.gz PFTDMBIDEAFWEJ-UHFFFAOYSA-N 0 0 302.237 3.699 50 0 DHAARN CCCc1oc(-c2ccccc2)cc1C(=O)NC[C@H]1CCCO1 ZINC000016625351 182054122 /nfs/dbraw/zinc/05/41/22/182054122.db2.gz SCDUIKOCNOZENR-OAHLLOKOSA-N 0 0 313.397 3.808 50 0 DHAARN COC(=O)c1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1 ZINC000016806599 182061321 /nfs/dbraw/zinc/06/13/21/182061321.db2.gz IKMXWQRRNMWYAJ-UHFFFAOYSA-N 0 0 323.348 3.709 50 0 DHAARN Cc1cc(NC(=O)c2ccco2)n(-c2nc3ccccc3s2)n1 ZINC000016850997 182061684 /nfs/dbraw/zinc/06/16/84/182061684.db2.gz ZTACEGWIDFQWRK-UHFFFAOYSA-N 0 0 324.365 3.636 50 0 DHAARN Cc1ccc2[nH]c3c(ncn(C[C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000016841713 182061900 /nfs/dbraw/zinc/06/19/00/182061900.db2.gz ACFVCOYRHHFFGU-CQSZACIVSA-N 0 0 317.392 3.990 50 0 DHAARN C[C@H](c1ccccc1)N(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000016695615 182057847 /nfs/dbraw/zinc/05/78/47/182057847.db2.gz YWJIWBAFVQFGHK-KGLIPLIRSA-N 0 0 307.397 3.677 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 ZINC000016705214 182058266 /nfs/dbraw/zinc/05/82/66/182058266.db2.gz DZNROYBQXXAZOC-UHFFFAOYSA-N 0 0 312.756 3.925 50 0 DHAARN Cc1ccccc1-c1nc(CSc2nnc(N)s2)cs1 ZINC000017055511 182072571 /nfs/dbraw/zinc/07/25/71/182072571.db2.gz XAQHZOBFGDTHNR-UHFFFAOYSA-N 0 0 320.468 3.845 50 0 DHAARN CC(C)[C@H](C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000017055760 182073404 /nfs/dbraw/zinc/07/34/04/182073404.db2.gz KLHHTOWTXHRNRS-AWEZNQCLSA-N 0 0 307.397 3.800 50 0 DHAARN COc1cccc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000017069968 182074992 /nfs/dbraw/zinc/07/49/92/182074992.db2.gz PSXFEMKGBHTEJC-GFCCVEGCSA-N 0 0 318.804 3.909 50 0 DHAARN CC(=O)CCc1ccc2oc(C(=O)Nc3ccncc3)c(C)c2c1 ZINC000017583554 182084742 /nfs/dbraw/zinc/08/47/42/182084742.db2.gz ZINALXVUPJKYLW-UHFFFAOYSA-N 0 0 322.364 3.910 50 0 DHAARN Cc1cnc(N2C(=O)CS[C@@H]2c2ccc(C)c(C)c2)s1 ZINC000017198092 182079881 /nfs/dbraw/zinc/07/98/81/182079881.db2.gz MYNNDHPFRFBFEO-CQSZACIVSA-N 0 0 304.440 3.847 50 0 DHAARN CCCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000017270441 182080624 /nfs/dbraw/zinc/08/06/24/182080624.db2.gz OBVOFOIHBQVDMN-UHFFFAOYSA-N 0 0 301.781 3.681 50 0 DHAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 ZINC000017270831 182081131 /nfs/dbraw/zinc/08/11/31/182081131.db2.gz GVRKDKPXZCPGOL-UHFFFAOYSA-N 0 0 324.380 3.612 50 0 DHAARN CCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1 ZINC000018135056 182094708 /nfs/dbraw/zinc/09/47/08/182094708.db2.gz JJWIKSNDYLETNK-SFHVURJKSA-N 0 0 310.397 3.916 50 0 DHAARN S=C(NC1CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000018945644 182103265 /nfs/dbraw/zinc/10/32/65/182103265.db2.gz WPFXKKMYSNTDFH-CQSZACIVSA-N 0 0 320.508 3.794 50 0 DHAARN COc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1Cl ZINC000018149151 182095175 /nfs/dbraw/zinc/09/51/75/182095175.db2.gz HMLSCJHCBZUVBP-STQMWFEESA-N 0 0 319.788 3.584 50 0 DHAARN NC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000019042524 182103585 /nfs/dbraw/zinc/10/35/85/182103585.db2.gz XLDQBKQETOQPIF-UHFFFAOYSA-N 0 0 314.143 3.810 50 0 DHAARN CNC(=O)c1cc(-c2cccc(-c3cc[nH]n3)c2)ccc1Cl ZINC000019219643 182108056 /nfs/dbraw/zinc/10/80/56/182108056.db2.gz NTDVIDRHNAZUJB-UHFFFAOYSA-N 0 0 311.772 3.757 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cn1 ZINC000019427830 182123139 /nfs/dbraw/zinc/12/31/39/182123139.db2.gz ILHBTAYSMWIEBD-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN O=c1cc(-c2ccccc2)[nH]c2ccc(Br)cc12 ZINC000019721463 182138329 /nfs/dbraw/zinc/13/83/29/182138329.db2.gz VJUYMVFNCPTYSH-UHFFFAOYSA-N 0 0 300.155 3.958 50 0 DHAARN CCCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 ZINC000019736212 182139751 /nfs/dbraw/zinc/13/97/51/182139751.db2.gz CMDCQCCYBWOUGJ-UHFFFAOYSA-N 0 0 314.385 3.709 50 0 DHAARN Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000019736309 182139972 /nfs/dbraw/zinc/13/99/72/182139972.db2.gz VCDAWJJTYYMRON-LLVKDONJSA-N 0 0 304.777 3.637 50 0 DHAARN Clc1cc(Cl)c(OCCCN2CCOCC2)c(Cl)c1 ZINC000019770629 182145019 /nfs/dbraw/zinc/14/50/19/182145019.db2.gz PAPZIWNAKGZJFD-UHFFFAOYSA-N 0 0 324.635 3.748 50 0 DHAARN CCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC ZINC000019736216 182140407 /nfs/dbraw/zinc/14/04/07/182140407.db2.gz RGROSZFUANANKL-UHFFFAOYSA-N 0 0 314.385 3.709 50 0 DHAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(N)ccc1F ZINC000019736605 182140668 /nfs/dbraw/zinc/14/06/68/182140668.db2.gz WGWAQNJCWOGGSB-MRXNPFEDSA-N 0 0 302.349 3.512 50 0 DHAARN CC(C)c1ncc(C(=O)NCCCSC2CCCCC2)cn1 ZINC000097553277 193732458 /nfs/dbraw/zinc/73/24/58/193732458.db2.gz BKVAEYNCXKZPPO-UHFFFAOYSA-N 0 0 321.490 3.786 50 0 DHAARN Fc1ccccc1Cc1nnc2sc(Cc3ccccc3)nn12 ZINC000019910039 182163849 /nfs/dbraw/zinc/16/38/49/182163849.db2.gz WNOOBEGOOVFLCK-UHFFFAOYSA-N 0 0 324.384 3.507 50 0 DHAARN Cc1ccc(-n2cnc(C(=O)Nc3cccc(C(C)C)c3)n2)cc1 ZINC000019910566 182163871 /nfs/dbraw/zinc/16/38/71/182163871.db2.gz LDMSTXLRPORQPP-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN Cc1nn(C)c(C)c1CNc1ccc(C)cc1Br ZINC000020086813 182186164 /nfs/dbraw/zinc/18/61/64/182186164.db2.gz DVMNPAQXDMNNHH-UHFFFAOYSA-N 0 0 308.223 3.720 50 0 DHAARN O=c1nc(CSc2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000020281243 182202934 /nfs/dbraw/zinc/20/29/34/182202934.db2.gz OSPSRHVCWYNISB-UHFFFAOYSA-N 0 0 314.435 3.766 50 0 DHAARN CC[C@@H](C)[C@@H](c1nc(C2CC2)no1)N1Cc2ccccc2C1=O ZINC000020386248 182213406 /nfs/dbraw/zinc/21/34/06/182213406.db2.gz QRRFDJUFHASVSF-ABAIWWIYSA-N 0 0 311.385 3.690 50 0 DHAARN CC[C@H](C)[C@@H](c1nc(C2CC2)no1)N1Cc2ccccc2C1=O ZINC000020386254 182213631 /nfs/dbraw/zinc/21/36/31/182213631.db2.gz QRRFDJUFHASVSF-NHYWBVRUSA-N 0 0 311.385 3.690 50 0 DHAARN Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000020357029 182211103 /nfs/dbraw/zinc/21/11/03/182211103.db2.gz XHXDXCGNQNZSKK-UHFFFAOYSA-N 0 0 323.440 3.653 50 0 DHAARN O=C1S/C(=C\c2cccnc2)C(=O)N1c1cccc(Cl)c1 ZINC000020437348 182218099 /nfs/dbraw/zinc/21/80/99/182218099.db2.gz RMJMLYYMZHUYKW-QPEQYQDCSA-N 0 0 316.769 3.976 50 0 DHAARN O=C(NCc1ccncc1)c1cc2c(ccc3ccccc23)o1 ZINC000020567948 182233077 /nfs/dbraw/zinc/23/30/77/182233077.db2.gz LQEZPGVIIBUUMN-UHFFFAOYSA-N 0 0 302.333 3.911 50 0 DHAARN [NH3+][C@H](c1ccc(Cl)cc1)[P@](=O)([O-])CCc1ccccc1 ZINC000020533283 182227520 /nfs/dbraw/zinc/22/75/20/182227520.db2.gz UKCIVEWGLUPHHP-HNNXBMFYSA-N 0 0 309.733 3.810 50 0 DHAARN COc1ccc(CCNc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000020728387 182244305 /nfs/dbraw/zinc/24/43/05/182244305.db2.gz DVIXTZIWSRQBIN-UHFFFAOYSA-N 0 0 323.371 3.946 50 0 DHAARN COC(=O)c1cnc(N(C)Cc2ccccc2)c2ccccc12 ZINC000020604735 182237074 /nfs/dbraw/zinc/23/70/74/182237074.db2.gz RYULHCCNEVMFDH-UHFFFAOYSA-N 0 0 306.365 3.658 50 0 DHAARN COc1ccc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)cc1 ZINC000020604886 182237184 /nfs/dbraw/zinc/23/71/84/182237184.db2.gz LXJWTHCBHXIROX-UHFFFAOYSA-N 0 0 307.275 3.663 50 0 DHAARN CNc1ncccc1C(=O)N(C)Cc1cc2ccccc2s1 ZINC000020906747 182253660 /nfs/dbraw/zinc/25/36/60/182253660.db2.gz QDYMIZBTKGXGGF-UHFFFAOYSA-N 0 0 311.410 3.610 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)Cc1c(F)cccc1Cl ZINC000020836780 182248700 /nfs/dbraw/zinc/24/87/00/182248700.db2.gz OGMFGHWJFZHCFR-NSHDSACASA-N 0 0 303.764 3.999 50 0 DHAARN COc1ccccc1NC(=O)Nc1nc2c(s1)CCCC2 ZINC000021087773 182264617 /nfs/dbraw/zinc/26/46/17/182264617.db2.gz ZPFHNBPJVMKMLN-UHFFFAOYSA-N 0 0 303.387 3.675 50 0 DHAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000020956092 182255882 /nfs/dbraw/zinc/25/58/82/182255882.db2.gz WLJJRFMBEICARW-UHFFFAOYSA-N 0 0 323.352 3.518 50 0 DHAARN Cc1ccc(O)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000020984160 182257360 /nfs/dbraw/zinc/25/73/60/182257360.db2.gz OTEBYEAEBYBBBX-NSHDSACASA-N 0 0 305.761 3.760 50 0 DHAARN Cc1ccn([C@H](C)CC(=O)Nc2nc3ccc(C)cc3s2)n1 ZINC000020991463 182257710 /nfs/dbraw/zinc/25/77/10/182257710.db2.gz SCONWEXXKDVQGU-GFCCVEGCSA-N 0 0 314.414 3.699 50 0 DHAARN Cc1ccc(CNC(=O)C[C@H](c2ccco2)n2cccc2)cc1 ZINC000020997330 182257897 /nfs/dbraw/zinc/25/78/97/182257897.db2.gz ZVANXCYBBNQBIH-QGZVFWFLSA-N 0 0 308.381 3.685 50 0 DHAARN O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1 ZINC000020997209 182257985 /nfs/dbraw/zinc/25/79/85/182257985.db2.gz IIGWFJPHOPHQEF-INIZCTEOSA-N 0 0 310.422 3.846 50 0 DHAARN CSc1ccccc1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000021010064 182260286 /nfs/dbraw/zinc/26/02/86/182260286.db2.gz FGEGFMMCYFSIJW-UHFFFAOYSA-N 0 0 324.405 3.994 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2ccccc2F)n1-c1ccccc1 ZINC000021108127 182265151 /nfs/dbraw/zinc/26/51/51/182265151.db2.gz BGQNTVXGYZNTMI-SFHVURJKSA-N 0 0 319.339 3.992 50 0 DHAARN CC(=O)Oc1cccc(NC(=O)CSc2ccc(C)cc2)c1 ZINC000021025480 182261406 /nfs/dbraw/zinc/26/14/06/182261406.db2.gz RRSMMQCFZVWXSW-UHFFFAOYSA-N 0 0 315.394 3.651 50 0 DHAARN Cc1nc(N2CCCCCC2)nc2oc(-c3ccccc3)nc21 ZINC000021023869 182261458 /nfs/dbraw/zinc/26/14/58/182261458.db2.gz DXDSCNOXTJMREG-UHFFFAOYSA-N 0 0 308.385 3.974 50 0 DHAARN COc1cc2ncc3c(n[nH]c3-c3ccccc3)c2cc1OC ZINC000021365405 182273196 /nfs/dbraw/zinc/27/31/96/182273196.db2.gz BBLHVXOZZROEFP-UHFFFAOYSA-N 0 0 305.337 3.795 50 0 DHAARN Cc1ccc(NC(=O)N[C@@H]2COc3ccccc3C2)cc1Cl ZINC000021101557 182265585 /nfs/dbraw/zinc/26/55/85/182265585.db2.gz NSGYABTVTDTODU-AWEZNQCLSA-N 0 0 316.788 3.774 50 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DHAARN CCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)no1 ZINC000021791124 182289333 /nfs/dbraw/zinc/28/93/33/182289333.db2.gz FLYDIQQAOLJNBG-QGZVFWFLSA-N 0 0 314.385 3.613 50 0 DHAARN CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2F)cc1 ZINC000021820223 182293458 /nfs/dbraw/zinc/29/34/58/182293458.db2.gz OZEUJSHUMSLYQH-UHFFFAOYSA-N 0 0 308.374 3.891 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccc(C)o3)cc2)n1 ZINC000021839885 182295005 /nfs/dbraw/zinc/29/50/05/182295005.db2.gz CRSPNJYXECDDJD-HNNXBMFYSA-N 0 0 323.396 3.882 50 0 DHAARN CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000021896595 182297481 /nfs/dbraw/zinc/29/74/81/182297481.db2.gz UFUWICOCLGKNNS-UHFFFAOYSA-N 0 0 316.426 3.914 50 0 DHAARN C[C@H](c1ccccc1)n1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000021729902 182287405 /nfs/dbraw/zinc/28/74/05/182287405.db2.gz ZBRFCTTXSCOFMQ-LLVKDONJSA-N 0 0 307.328 3.626 50 0 DHAARN Cc1ccc(SCCNC(=O)c2cc(C)ccc2O)cc1 ZINC000021936836 182299196 /nfs/dbraw/zinc/29/91/96/182299196.db2.gz MVFSKQPLVQJKCT-UHFFFAOYSA-N 0 0 301.411 3.531 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CC[C@@H](C(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000027837222 182492590 /nfs/dbraw/zinc/49/25/90/182492590.db2.gz SQUGVPLRLRZKIQ-YLJYHZDGSA-N 0 0 322.452 3.823 50 0 DHAARN Cc1ccc(-c2nc(CCNC(=O)CC(C)C)cs2)cc1 ZINC000028288406 182518994 /nfs/dbraw/zinc/51/89/94/182518994.db2.gz WCDQWQSPGIXIAM-UHFFFAOYSA-N 0 0 302.443 3.823 50 0 DHAARN CCOc1ccccc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000029278490 182558696 /nfs/dbraw/zinc/55/86/96/182558696.db2.gz XOKRQISIPNGKAA-UHFFFAOYSA-N 0 0 307.353 3.728 50 0 DHAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Cl)nc1 ZINC000029607559 182572315 /nfs/dbraw/zinc/57/23/15/182572315.db2.gz CVJPXOHVWIVGLW-NXEZZACHSA-N 0 0 306.715 3.586 50 0 DHAARN Cc1ccc(-c2nc(CN3C[C@H](C)O[C@@H](C)C3)co2)c(C)c1 ZINC000029922416 182580771 /nfs/dbraw/zinc/58/07/71/182580771.db2.gz WLOOTNVQZMCAGS-GJZGRUSLSA-N 0 0 300.402 3.568 50 0 DHAARN O=C(Cn1ccc2ccc(F)cc21)Nc1ccc2cc[nH]c2c1 ZINC000032087488 182633931 /nfs/dbraw/zinc/63/39/31/182633931.db2.gz JJMOQEODGYZMES-UHFFFAOYSA-N 0 0 307.328 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DHAARN O=C1C[C@H](c2ccsc2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040286962 183051480 /nfs/dbraw/zinc/05/14/80/183051480.db2.gz PZIBONCPHIJXPY-CYBMUJFWSA-N 0 0 313.357 3.547 50 0 DHAARN CCc1nc(Cl)c(N)c(Oc2ccc3ncccc3c2)n1 ZINC000040428551 183065278 /nfs/dbraw/zinc/06/52/78/183065278.db2.gz RWQIQHGMUQQCOW-UHFFFAOYSA-N 0 0 300.749 3.615 50 0 DHAARN CC(C)(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000040458896 183070215 /nfs/dbraw/zinc/07/02/15/183070215.db2.gz QFHOXDCEYVIWLQ-UHFFFAOYSA-N 0 0 312.417 3.656 50 0 DHAARN O=C(Nc1ccnn1C1CCCC1)c1ccc(Br)o1 ZINC000040463285 183070997 /nfs/dbraw/zinc/07/09/97/183070997.db2.gz SPEKWLIFFTUTHI-UHFFFAOYSA-N 0 0 324.178 3.606 50 0 DHAARN C[C@H](c1nc2ccccc2s1)N(C)Cc1nnsc1Cl ZINC000040466280 183072731 /nfs/dbraw/zinc/07/27/31/183072731.db2.gz OFAKUWBKLVASEQ-MRVPVSSYSA-N 0 0 324.862 3.994 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)c(OC)c1 ZINC000040473837 183074409 /nfs/dbraw/zinc/07/44/09/183074409.db2.gz UJESKAGWSGNCBV-WMLDXEAASA-N 0 0 315.413 3.724 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000040489604 183079229 /nfs/dbraw/zinc/07/92/29/183079229.db2.gz BMGHSUVUWJEGGK-YOEHRIQHSA-N 0 0 311.429 3.677 50 0 DHAARN CN(C(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 ZINC000040490357 183079894 /nfs/dbraw/zinc/07/98/94/183079894.db2.gz IZWJDKDTJKZENE-UHFFFAOYSA-N 0 0 319.430 3.522 50 0 DHAARN Cc1ccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000040494087 183080667 /nfs/dbraw/zinc/08/06/67/183080667.db2.gz MKJQRWCCVUQTIX-HNNXBMFYSA-N 0 0 317.454 3.592 50 0 DHAARN CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1nncs1 ZINC000040525262 183091974 /nfs/dbraw/zinc/09/19/74/183091974.db2.gz DOXCSGCARSHMFH-UHFFFAOYSA-N 0 0 317.201 3.509 50 0 DHAARN CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000040525121 183092189 /nfs/dbraw/zinc/09/21/89/183092189.db2.gz LOEKEJXTRXVMBM-CABCVRRESA-N 0 0 312.413 3.884 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2)c1 ZINC000040526951 183092781 /nfs/dbraw/zinc/09/27/81/183092781.db2.gz VGYRQQIKSREOAM-UHFFFAOYSA-N 0 0 311.385 3.699 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ZINC000064579989 184300812 /nfs/dbraw/zinc/30/08/12/184300812.db2.gz GSFXZQOPYVLOOS-AWEZNQCLSA-N 0 0 304.777 3.922 50 0 DHAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(F)cc1F ZINC000064472030 184298295 /nfs/dbraw/zinc/29/82/95/184298295.db2.gz VSDSAWOAHSLVMB-UHFFFAOYSA-N 0 0 315.279 3.576 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000064579994 184300621 /nfs/dbraw/zinc/30/06/21/184300621.db2.gz QNROCOCNCGNWCU-GOSISDBHSA-N 0 0 315.438 3.829 50 0 DHAARN CC[C@@]1(c2ccccc2)OC(c2ccc(F)cc2)=NN1C(C)=O ZINC000064819953 184303688 /nfs/dbraw/zinc/30/36/88/184303688.db2.gz XBXTXEILSGMIJM-SFHVURJKSA-N 0 0 312.344 3.629 50 0 DHAARN O=C(Nc1cccc(-c2nccs2)c1)[C@H]1Cc2ccccc2O1 ZINC000064833686 184304007 /nfs/dbraw/zinc/30/40/07/184304007.db2.gz WIXGUANZMHXIEJ-MRXNPFEDSA-N 0 0 322.389 3.752 50 0 DHAARN Cc1ccc(Nc2n[nH]nc2C(=O)Nc2c(C)cccc2C)cc1 ZINC000064871367 184305112 /nfs/dbraw/zinc/30/51/12/184305112.db2.gz CUNGDFFJNLBECJ-UHFFFAOYSA-N 0 0 321.384 3.726 50 0 DHAARN Cc1[nH]c2ccc(CNC(=O)N(C)Cc3ccco3)cc2c1C ZINC000065032008 184308829 /nfs/dbraw/zinc/30/88/29/184308829.db2.gz ZTAKSXHPEVJYLM-UHFFFAOYSA-N 0 0 311.385 3.719 50 0 DHAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1F ZINC000065114082 184310795 /nfs/dbraw/zinc/31/07/95/184310795.db2.gz UVYGHKVMJHWFJT-UHFFFAOYSA-N 0 0 311.316 3.608 50 0 DHAARN Cn1cc2c3c1cccc3CN(C(=O)c1ccccc1F)CC2 ZINC000065148784 184311507 /nfs/dbraw/zinc/31/15/07/184311507.db2.gz CCLBJRHRMHSBJO-UHFFFAOYSA-N 0 0 308.356 3.516 50 0 DHAARN O=C(NCc1cccnc1-c1ccccc1)c1cc(F)ccc1F ZINC000065171415 184313531 /nfs/dbraw/zinc/31/35/31/184313531.db2.gz UKTGZAYRLKBLME-UHFFFAOYSA-N 0 0 324.330 3.957 50 0 DHAARN CCCNC(=O)c1cccc(-c2nc3cccnc3n2CCC)c1 ZINC000065172770 184313662 /nfs/dbraw/zinc/31/36/62/184313662.db2.gz AMZWDOQWAFEAFC-UHFFFAOYSA-N 0 0 322.412 3.648 50 0 DHAARN CN(C)C(=O)c1cccc(-c2ccc(N3CCCCCC3)nc2)c1 ZINC000065178392 184313862 /nfs/dbraw/zinc/31/38/62/184313862.db2.gz MNHPQPSVGDKKFG-UHFFFAOYSA-N 0 0 323.440 3.831 50 0 DHAARN O=C1COc2ccc(Cl)cc2CN1[C@H]1CCc2ccccc21 ZINC000065184404 184314012 /nfs/dbraw/zinc/31/40/12/184314012.db2.gz ZIEFSYYBXLLBCJ-INIZCTEOSA-N 0 0 313.784 3.749 50 0 DHAARN COC(=O)c1cc2ccccc2cc1NC(=O)OC(C)(C)C ZINC000065210926 184314545 /nfs/dbraw/zinc/31/45/45/184314545.db2.gz GSOKPZOBSDOBQD-UHFFFAOYSA-N 0 0 301.342 3.973 50 0 DHAARN O=C1C[C@H](c2cccc(Cl)c2)c2cnn(-c3ccccc3)c2N1 ZINC000064667208 184302414 /nfs/dbraw/zinc/30/24/14/184302414.db2.gz QAWBMJCGOOIBQZ-OAHLLOKOSA-N 0 0 323.783 4.000 50 0 DHAARN CCOc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1OCC ZINC000065387638 184334133 /nfs/dbraw/zinc/33/41/33/184334133.db2.gz QOQFCDQGYOCSNP-UHFFFAOYSA-N 0 0 309.369 3.936 50 0 DHAARN COc1cc(NC(=O)N[C@@H](C)c2cc(C)oc2C)cc(OC)c1 ZINC000065356587 184328223 /nfs/dbraw/zinc/32/82/23/184328223.db2.gz FCTAWZZUDMTBQC-NSHDSACASA-N 0 0 318.373 3.796 50 0 DHAARN Fc1cccc(-c2nn3c(nnc3-c3ccsc3)s2)c1 ZINC000065356344 184328362 /nfs/dbraw/zinc/32/83/62/184328362.db2.gz LWMKESZSJZETGU-UHFFFAOYSA-N 0 0 302.359 3.720 50 0 DHAARN NC(=O)CCn1cnc(-c2ccccc2)c1CCC1CCCC1 ZINC000065371169 184329897 /nfs/dbraw/zinc/32/98/97/184329897.db2.gz BICBBNFNICAIDD-UHFFFAOYSA-N 0 0 311.429 3.548 50 0 DHAARN COc1ccccc1-n1nc(C(C)C)nc1CCc1cccnc1 ZINC000065372474 184330120 /nfs/dbraw/zinc/33/01/20/184330120.db2.gz UQVYAQHICCZXGI-UHFFFAOYSA-N 0 0 322.412 3.580 50 0 DHAARN O=C1CCC[C@H]1Cc1nc(C2CC2)nn1-c1ccccc1Cl ZINC000065375710 184331261 /nfs/dbraw/zinc/33/12/61/184331261.db2.gz ILUSCQSGWXNNJS-LBPRGKRZSA-N 0 0 315.804 3.710 50 0 DHAARN c1ccc2c(c1)nc(-c1ccncc1)cc2-c1n[nH]c(C2CC2)n1 ZINC000065409133 184340002 /nfs/dbraw/zinc/34/00/02/184340002.db2.gz MJAMBTRQUAIZQY-UHFFFAOYSA-N 0 0 313.364 3.959 50 0 DHAARN COc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cn1 ZINC000065488075 184352861 /nfs/dbraw/zinc/35/28/61/184352861.db2.gz AZLZTEJRPIYVHU-UHFFFAOYSA-N 0 0 315.373 3.660 50 0 DHAARN Cn1cnnc1Sc1ccc(-c2[nH]cnc2-c2ccccc2)o1 ZINC000065403693 184337028 /nfs/dbraw/zinc/33/70/28/184337028.db2.gz QQRVPUXBNJNHSZ-UHFFFAOYSA-N 0 0 323.381 3.616 50 0 DHAARN COc1ccc2[nH]c(-c3n[nH]c(CCc4ccccc4)n3)cc2c1 ZINC000065405294 184338073 /nfs/dbraw/zinc/33/80/73/184338073.db2.gz XYKJXEQOQGLRNR-UHFFFAOYSA-N 0 0 318.380 3.747 50 0 DHAARN Cc1ccc(OCc2nnc(SC[C@@H]3CCCCO3)o2)cc1 ZINC000065521165 184359126 /nfs/dbraw/zinc/35/91/26/184359126.db2.gz KSGKOPKQHWDWLC-AWEZNQCLSA-N 0 0 320.414 3.618 50 0 DHAARN COCc1ccccc1CNC(=O)[C@H]1C[C@H]1c1ccc(C)s1 ZINC000065610933 184372993 /nfs/dbraw/zinc/37/29/93/184372993.db2.gz BACZEWCNPAJJSA-CVEARBPZSA-N 0 0 315.438 3.623 50 0 DHAARN Nc1nc(Cl)cc(Nc2ccc(N3CCCCCC3)cc2)n1 ZINC000065562412 184366173 /nfs/dbraw/zinc/36/61/73/184366173.db2.gz PLLVMSIRAPARPY-UHFFFAOYSA-N 0 0 317.824 3.836 50 0 DHAARN CCOC1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 ZINC000065563954 184366404 /nfs/dbraw/zinc/36/64/04/184366404.db2.gz DDXIJCZOVFBBME-MRXNPFEDSA-N 0 0 303.446 3.673 50 0 DHAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cnn(Cc3ccncc3)c2)C1(C)C ZINC000065566165 184367338 /nfs/dbraw/zinc/36/73/38/184367338.db2.gz XNUZINIUJVYDOW-SJORKVTESA-N 0 0 324.428 3.503 50 0 DHAARN C[C@H]1CCC[C@](O)(CNC(=O)Nc2cccc3ccccc32)C1 ZINC000065566560 184367367 /nfs/dbraw/zinc/36/73/67/184367367.db2.gz AQRGVGSAODSYOV-IFXJQAMLSA-N 0 0 312.413 3.903 50 0 DHAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCc1ccccn1 ZINC000065589117 184369603 /nfs/dbraw/zinc/36/96/03/184369603.db2.gz IAXZSLKJPIYAJX-INIZCTEOSA-N 0 0 323.440 3.634 50 0 DHAARN Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ccccc1 ZINC000065593793 184370339 /nfs/dbraw/zinc/37/03/39/184370339.db2.gz RUDSPXSZTUHRLU-UHFFFAOYSA-N 0 0 313.378 3.624 50 0 DHAARN Cc1ccc(-c2noc(CN3CCC[C@@H]3c3ccc[nH]3)n2)cc1 ZINC000065607214 184372300 /nfs/dbraw/zinc/37/23/00/184372300.db2.gz BMYFVCWSHQQKIH-MRXNPFEDSA-N 0 0 308.385 3.710 50 0 DHAARN CC[C@H](C(=O)N[C@H](C)Cc1ccccc1C)c1c(C)noc1C ZINC000065608472 184372617 /nfs/dbraw/zinc/37/26/17/184372617.db2.gz HXRYVWALFLLKCE-DYVFJYSZSA-N 0 0 314.429 3.841 50 0 DHAARN Cc1nc2ccccc2c(SCC(=O)Nc2ccccc2)n1 ZINC000065501959 184355960 /nfs/dbraw/zinc/35/59/60/184355960.db2.gz UGCXPTZEBXQCIZ-UHFFFAOYSA-N 0 0 309.394 3.669 50 0 DHAARN COc1cc(/C=C(\C)c2noc(-c3ccccc3O)n2)ccc1O ZINC000066087432 184387884 /nfs/dbraw/zinc/38/78/84/184387884.db2.gz LQYRBDHQELGEIR-PKNBQFBNSA-N 0 0 324.336 3.717 50 0 DHAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(-c2ccco2)on1 ZINC000065624041 184374741 /nfs/dbraw/zinc/37/47/41/184374741.db2.gz BZOXWWUMNWMCLE-UHFFFAOYSA-N 0 0 314.345 3.581 50 0 DHAARN O=C(Nc1nc2c(s1)CCC2)c1cnc(-c2ccco2)s1 ZINC000065623319 184374817 /nfs/dbraw/zinc/37/48/17/184374817.db2.gz OMUYFPNXPWKEDI-UHFFFAOYSA-N 0 0 317.395 3.601 50 0 DHAARN Cc1cccnc1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000065622984 184374987 /nfs/dbraw/zinc/37/49/87/184374987.db2.gz FDWQKDXWULSTEA-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN O=C(Nc1ccc2oc(=O)ccc2c1)N1CCCCCCC1 ZINC000065751730 184378395 /nfs/dbraw/zinc/37/83/95/184378395.db2.gz KXVQMUQHASOHES-UHFFFAOYSA-N 0 0 300.358 3.591 50 0 DHAARN CCOC(=O)c1cn(Cc2ccc(C)cc2)c2ccccc2c1=O ZINC000067341037 184461577 /nfs/dbraw/zinc/46/15/77/184461577.db2.gz LJLRKEUBCQSIDV-UHFFFAOYSA-N 0 0 321.376 3.535 50 0 DHAARN COc1cccc(-c2nc(C(F)(F)F)nc(C)c2C)c1F ZINC000067675046 184477595 /nfs/dbraw/zinc/47/75/95/184477595.db2.gz AJYVKVKUNGTRQS-UHFFFAOYSA-N 0 0 300.255 3.927 50 0 DHAARN Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1 ZINC000067677192 184479170 /nfs/dbraw/zinc/47/91/70/184479170.db2.gz XNHGHUKLZXMAKZ-UHFFFAOYSA-N 0 0 305.168 3.945 50 0 DHAARN COc1ccc(N(C(=O)c2cnc(C)s2)C(C)C)cc1F ZINC000069485363 184518682 /nfs/dbraw/zinc/51/86/82/184518682.db2.gz QMUUCIXALGTGDQ-UHFFFAOYSA-N 0 0 308.378 3.654 50 0 DHAARN CCN(C(=O)[C@@H]1CC=CCC1)c1ccc(Br)cn1 ZINC000119725487 195025353 /nfs/dbraw/zinc/02/53/53/195025353.db2.gz JGHUXCDLJRCIAP-LLVKDONJSA-N 0 0 309.207 3.553 50 0 DHAARN CCc1noc(C)c1NC(=O)Nc1cnn(C2CCCC2)c1C ZINC000193700500 335052324 /nfs/dbraw/zinc/05/23/24/335052324.db2.gz OOQZKLDTQJRJNJ-UHFFFAOYSA-N 0 0 317.393 3.809 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000120657605 195210194 /nfs/dbraw/zinc/21/01/94/195210194.db2.gz MEIZDGJBJJKLTF-VXGBXAGGSA-N 0 0 304.413 3.892 50 0 DHAARN O=C(NCc1ccco1)Nc1cccnc1Oc1ccccc1 ZINC000058158303 256538166 /nfs/dbraw/zinc/53/81/66/256538166.db2.gz ZMMUKSQXHKBPSR-UHFFFAOYSA-N 0 0 309.325 3.789 50 0 DHAARN Cc1nc2cc(-c3noc(CCc4ccccc4)n3)ccc2o1 ZINC000065149697 256542214 /nfs/dbraw/zinc/54/22/14/256542214.db2.gz PFDMVDFFTBGQBV-UHFFFAOYSA-N 0 0 305.337 3.971 50 0 DHAARN O=C(CCSCc1ccccn1)Nc1cccc2ncccc21 ZINC000126822630 256586930 /nfs/dbraw/zinc/58/69/30/256586930.db2.gz PVNYFLOSVPNNHT-UHFFFAOYSA-N 0 0 323.421 3.892 50 0 DHAARN O=C(c1ccc(F)c(F)c1F)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192082285 256591785 /nfs/dbraw/zinc/59/17/85/256591785.db2.gz MUHIYKMBKRLDKR-GFCCVEGCSA-N 0 0 321.298 3.540 50 0 DHAARN CC[C@H](c1ccc(F)cc1F)[S@](=O)C[C@H]1CCCCO1 ZINC000241795547 256603816 /nfs/dbraw/zinc/60/38/16/256603816.db2.gz SABMURBEWQUDKQ-ASNKJTAVSA-N 0 0 302.386 3.734 50 0 DHAARN C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000245339244 256606723 /nfs/dbraw/zinc/60/67/23/256606723.db2.gz RKJBWLJWYPZXLQ-XJFOESAGSA-N 0 0 323.383 3.532 50 0 DHAARN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC[C@H]2CCCO2)C1 ZINC000252672744 256614943 /nfs/dbraw/zinc/61/49/43/256614943.db2.gz QLNAOJXDGHHHHO-CKEIUWERSA-N 0 0 305.393 3.694 50 0 DHAARN O=C(OCc1cc(-c2ccccc2F)on1)c1cccs1 ZINC000016838655 257217781 /nfs/dbraw/zinc/21/77/81/257217781.db2.gz SYMSVHRTVSDNAK-UHFFFAOYSA-N 0 0 303.314 3.899 50 0 DHAARN Cc1cc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)on1 ZINC000374271239 257235431 /nfs/dbraw/zinc/23/54/31/257235431.db2.gz GIUXYWLJCANCMP-UHFFFAOYSA-N 0 0 322.767 3.737 50 0 DHAARN CCCN(CCOC)C(=O)c1ccc(-c2ccccc2O)cc1 ZINC000426627669 257245391 /nfs/dbraw/zinc/24/53/91/257245391.db2.gz KIXVEXISQPRTDU-UHFFFAOYSA-N 0 0 313.397 3.558 50 0 DHAARN CC[C@H](C)CCNC(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000426563168 257246056 /nfs/dbraw/zinc/24/60/56/257246056.db2.gz LPNMBWGKTIPYEU-AWEZNQCLSA-N 0 0 314.433 3.654 50 0 DHAARN CC[C@@H]1CCCN1C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000426548420 257246914 /nfs/dbraw/zinc/24/69/14/257246914.db2.gz 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/nfs/dbraw/zinc/25/40/07/257254007.db2.gz AZFXRGGKBYUJST-UHFFFAOYSA-N 0 0 324.424 3.581 50 0 DHAARN C=CC(=O)N(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2 ZINC000408525934 257254423 /nfs/dbraw/zinc/25/44/23/257254423.db2.gz RPRFGTLLFNWDBC-UHFFFAOYSA-N 0 0 315.394 3.547 50 0 DHAARN CSc1nc(C(F)F)cc(N(C)[C@@H](C)c2ccccn2)n1 ZINC000408524602 257254912 /nfs/dbraw/zinc/25/49/12/257254912.db2.gz WDOAVKVHSGQANW-VIFPVBQESA-N 0 0 310.373 3.729 50 0 DHAARN CCOC[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccccc1OC ZINC000408520080 257255707 /nfs/dbraw/zinc/25/57/07/257255707.db2.gz CBLUTAXUAINVRX-HOTGVXAUSA-N 0 0 319.445 3.606 50 0 DHAARN C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245228432 257259322 /nfs/dbraw/zinc/25/93/22/257259322.db2.gz XXFFNUBOFHXZRJ-FRRDWIJNSA-N 0 0 317.458 3.738 50 0 DHAARN CC(C)[C@H](C(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCCC1=O ZINC000240454738 257259942 /nfs/dbraw/zinc/25/99/42/257259942.db2.gz FYKFVGGDZWEHCQ-KYHPRHEASA-N 0 0 321.461 3.536 50 0 DHAARN COc1ccc2c(c1)sc(=N)n2Cc1cccc2cccnc21 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CC[C@@H](C)CN(CC)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000075093117 563859123 /nfs/dbraw/zinc/85/91/23/563859123.db2.gz SKOKZFHJWQOTPG-CYBMUJFWSA-N 0 0 309.454 3.584 50 0 DHAARN COCCCNC(=O)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285744 563902396 /nfs/dbraw/zinc/90/23/96/563902396.db2.gz SIMHUQSUCVKGGN-UHFFFAOYSA-N 0 0 306.431 3.584 50 0 DHAARN CC(C)CCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007814311 563919927 /nfs/dbraw/zinc/91/99/27/563919927.db2.gz HJONAARSZMHJLF-UHFFFAOYSA-N 0 0 302.418 3.734 50 0 DHAARN CCC(=O)Nc1ccc([C@H](C)NCc2csc(CC)n2)cc1 ZINC000067186609 563948672 /nfs/dbraw/zinc/94/86/72/563948672.db2.gz BFWUCXVFBMIAOH-LBPRGKRZSA-N 0 0 317.458 3.905 50 0 DHAARN Cc1nc(CS(=O)(=O)Cc2ccc(C(C)C)cc2)cs1 ZINC000069628149 563953941 /nfs/dbraw/zinc/95/39/41/563953941.db2.gz ZHHKATTZTUGUJU-UHFFFAOYSA-N 0 0 309.456 3.690 50 0 DHAARN CCOC(=O)N[C@H](c1ccccc1F)[C@H]1CCCCCC1=O ZINC000001394470 563282217 /nfs/dbraw/zinc/28/22/17/563282217.db2.gz YKUFZUFGJRFXKK-XJKSGUPXSA-N 0 0 307.365 3.762 50 0 DHAARN 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CCCc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000149112 563224617 /nfs/dbraw/zinc/22/46/17/563224617.db2.gz CLKMYLAPKSJJDP-UHFFFAOYSA-N 0 0 300.354 3.876 50 0 DHAARN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000000151167 563225094 /nfs/dbraw/zinc/22/50/94/563225094.db2.gz GUEFAYBPKATUKG-AWEZNQCLSA-N 0 0 311.406 3.879 50 0 DHAARN CC(C)(C)C(=O)OCc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000000157179 563225699 /nfs/dbraw/zinc/22/56/99/563225699.db2.gz AASPJRBQQWEFKE-UHFFFAOYSA-N 0 0 319.382 3.628 50 0 DHAARN COc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000000158460 563225762 /nfs/dbraw/zinc/22/57/62/563225762.db2.gz ZSUFBKHEFBKBDJ-UHFFFAOYSA-N 0 0 306.406 3.507 50 0 DHAARN COc1ccc2cc(-c3cc(C(F)(F)F)nc(N)n3)ccc2c1 ZINC000000161657 563225957 /nfs/dbraw/zinc/22/59/57/563225957.db2.gz OENCLTFLEDNALC-UHFFFAOYSA-N 0 0 319.286 3.906 50 0 DHAARN CC(C)NC(=O)c1ccccc1-c1ccccc1C(=O)NC(C)C ZINC000000163016 563226491 /nfs/dbraw/zinc/22/64/91/563226491.db2.gz IMNBBDDYIRWEMT-UHFFFAOYSA-N 0 0 324.424 3.630 50 0 DHAARN 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COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)no2)c1 ZINC000000423678 563252701 /nfs/dbraw/zinc/25/27/01/563252701.db2.gz YREGKLNJFFMANA-CYBMUJFWSA-N 0 0 322.364 3.841 50 0 DHAARN Cc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2C)cc1 ZINC000000421410 563252739 /nfs/dbraw/zinc/25/27/39/563252739.db2.gz KSBABQSIKFBLRA-UHFFFAOYSA-N 0 0 323.421 3.766 50 0 DHAARN Cc1ccnc(SCC(=O)Nc2cccc3ccccc32)n1 ZINC000000419459 563252838 /nfs/dbraw/zinc/25/28/38/563252838.db2.gz JTXIPGZJNCOQEA-UHFFFAOYSA-N 0 0 309.394 3.669 50 0 DHAARN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1OCC ZINC000000434476 563253300 /nfs/dbraw/zinc/25/33/00/563253300.db2.gz UXOGCFCRDDNZDZ-UHFFFAOYSA-N 0 0 313.397 3.756 50 0 DHAARN COc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000000432870 563253421 /nfs/dbraw/zinc/25/34/21/563253421.db2.gz CDXJIBLTGGBLIF-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 ZINC000000436830 563253832 /nfs/dbraw/zinc/25/38/32/563253832.db2.gz CFDAAPKYPSCBIE-UHFFFAOYSA-N 0 0 324.361 3.791 50 0 DHAARN CSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 ZINC000000436412 563253981 /nfs/dbraw/zinc/25/39/81/563253981.db2.gz KRQGLAIGSQNSNK-UHFFFAOYSA-N 0 0 314.414 3.725 50 0 biogenic DHAARN COc1ccccc1Cc1noc(Cc2ccc(Cl)cc2)n1 ZINC000000441906 563254458 /nfs/dbraw/zinc/25/44/58/563254458.db2.gz QSNOARJAQQNYSQ-UHFFFAOYSA-N 0 0 314.772 3.913 50 0 DHAARN CCCC(=O)Nc1ccc(I)cc1Cl ZINC000000442396 563254531 /nfs/dbraw/zinc/25/45/31/563254531.db2.gz GRJLXZJLNAJZSI-UHFFFAOYSA-N 0 0 323.561 3.683 50 0 DHAARN COc1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3C)cc2c1 ZINC000000450395 563256172 /nfs/dbraw/zinc/25/61/72/563256172.db2.gz ZRLWUFUXGAWMNB-UHFFFAOYSA-N 0 0 323.348 3.671 50 0 DHAARN CC(=O)Nc1ccccc1NC(=O)c1ccc(C)cc1Cl ZINC000000458544 563258559 /nfs/dbraw/zinc/25/85/59/563258559.db2.gz ZXOZZNXFNSQAEP-UHFFFAOYSA-N 0 0 302.761 3.859 50 0 DHAARN O=C(/C=C/c1ccco1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000000461518 563258919 /nfs/dbraw/zinc/25/89/19/563258919.db2.gz IOEKGMJLOCXQRK-MDZDMXLPSA-N 0 0 324.380 3.558 50 0 DHAARN CC(C)C(=O)Nc1cccc(C(=O)N2CCCc3ccccc32)c1 ZINC000000463523 563258959 /nfs/dbraw/zinc/25/89/59/563258959.db2.gz FITHFEIOXPFPNT-UHFFFAOYSA-N 0 0 322.408 3.874 50 0 DHAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccco1 ZINC000000464770 563259507 /nfs/dbraw/zinc/25/95/07/563259507.db2.gz SKLSMOLPCPHRKI-LLVKDONJSA-N 0 0 302.399 3.920 50 0 DHAARN CC(C)C(=O)Nc1cccc(C(=O)NC2CCCCCC2)c1 ZINC000000466339 563259629 /nfs/dbraw/zinc/25/96/29/563259629.db2.gz KDLCMMKHXUBPGU-UHFFFAOYSA-N 0 0 302.418 3.734 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)NCc2ccccc2Cl)c(C)c1 ZINC000000469292 563260002 /nfs/dbraw/zinc/26/00/02/563260002.db2.gz RSBPXESWBHWPNI-UHFFFAOYSA-N 0 0 323.845 3.744 50 0 DHAARN CC(=O)c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000000468470 563260093 /nfs/dbraw/zinc/26/00/93/563260093.db2.gz BAUCFQKHUJDAPS-UHFFFAOYSA-N 0 0 317.410 3.615 50 0 DHAARN Cc1nnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)s1 ZINC000000473969 563261072 /nfs/dbraw/zinc/26/10/72/563261072.db2.gz NEURBXSARZDSMJ-HWKANZROSA-N 0 0 314.197 3.805 50 0 DHAARN CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000000473339 563261296 /nfs/dbraw/zinc/26/12/96/563261296.db2.gz YHTOCCSHOYKYGI-UHFFFAOYSA-N 0 0 309.475 3.955 50 0 DHAARN Cc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 ZINC000000474641 563261787 /nfs/dbraw/zinc/26/17/87/563261787.db2.gz GQBGGMWBDNDIJD-VBKFSLOCSA-N 0 0 308.406 3.599 50 0 DHAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1 ZINC000000476872 563262342 /nfs/dbraw/zinc/26/23/42/563262342.db2.gz FVOUEKIZWSVGMP-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN COc1ccccc1CNC(=S)Nc1ccc(C)cc1C ZINC000000477302 563262440 /nfs/dbraw/zinc/26/24/40/563262440.db2.gz DRTWLGYIHVYXMQ-UHFFFAOYSA-N 0 0 300.427 3.799 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N(C)C)cc1 ZINC000000483314 563262751 /nfs/dbraw/zinc/26/27/51/563262751.db2.gz FCVLXQPHUSRSRM-UHFFFAOYSA-N 0 0 318.804 3.732 50 0 DHAARN CCc1nc(=O)c2ccccc2n1-c1cccc(C(F)(F)F)c1 ZINC000000481312 563262856 /nfs/dbraw/zinc/26/28/56/563262856.db2.gz NBMSMCRUIFNZQC-UHFFFAOYSA-N 0 0 318.298 3.967 50 0 DHAARN Ic1ccc2nc(-c3ccccc3)cn2c1 ZINC000000484598 563262926 /nfs/dbraw/zinc/26/29/26/563262926.db2.gz QJBHTNVCHGXHAB-UHFFFAOYSA-N 0 0 320.133 3.606 50 0 DHAARN Cc1ccccc1-c1nnc2sc(COc3ccccc3)nn21 ZINC000000529945 563264688 /nfs/dbraw/zinc/26/46/88/563264688.db2.gz HGGOEZNADRXNOZ-UHFFFAOYSA-N 0 0 322.393 3.740 50 0 DHAARN Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2C)c1 ZINC000000523649 563264832 /nfs/dbraw/zinc/26/48/32/563264832.db2.gz NTAFZQQBIJJEDZ-UHFFFAOYSA-N 0 0 310.426 3.786 50 0 DHAARN c1ccc(OCc2nn3c(nnc3C3CCCCC3)s2)cc1 ZINC000000537692 563265395 /nfs/dbraw/zinc/26/53/95/563265395.db2.gz XSDPCCRMXOGBLD-UHFFFAOYSA-N 0 0 314.414 3.813 50 0 DHAARN O=C(Nc1ncccc1Cl)c1ccc(Br)cc1 ZINC000000534913 563265633 /nfs/dbraw/zinc/26/56/33/563265633.db2.gz BTNHOPDFHAVHTO-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN CCc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000571751 563267666 /nfs/dbraw/zinc/26/76/66/563267666.db2.gz XVULAGZZHYTSSZ-UHFFFAOYSA-N 0 0 307.440 3.772 50 0 DHAARN Cc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1C 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/nfs/dbraw/zinc/26/93/85/563269385.db2.gz RDSUHBWNZZZNRD-UHFFFAOYSA-N 0 0 306.818 3.961 50 0 DHAARN Cc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)s1 ZINC000000621589 563271109 /nfs/dbraw/zinc/27/11/09/563271109.db2.gz UMRTYRUHQKTSQM-UHFFFAOYSA-N 0 0 302.424 3.900 50 0 DHAARN O=C(Oc1cccc2cccnc21)c1cc2ccccc2oc1=O ZINC000000807607 563271807 /nfs/dbraw/zinc/27/18/07/563271807.db2.gz ZTPAPZZJNWZKJZ-UHFFFAOYSA-N 0 0 317.300 3.560 50 0 DHAARN O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(F)cc1 ZINC000000794808 563271821 /nfs/dbraw/zinc/27/18/21/563271821.db2.gz YIJGBRZFVVRNKX-UHFFFAOYSA-N 0 0 313.353 3.688 50 0 DHAARN CCC(CC)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 ZINC000000804741 563271948 /nfs/dbraw/zinc/27/19/48/563271948.db2.gz BQPJAXHCEJWOHP-LLVKDONJSA-N 0 0 319.430 3.848 50 0 DHAARN COc1c(Cl)cc(C(=O)Nc2nccs2)cc1Cl ZINC000000884366 563273123 /nfs/dbraw/zinc/27/31/23/563273123.db2.gz FAENRSGOEQWYLQ-UHFFFAOYSA-N 0 0 303.170 3.711 50 0 DHAARN O=C1NC(=S)SC1=Cc1cc(Br)cs1 ZINC000001042552 563275162 /nfs/dbraw/zinc/27/51/62/563275162.db2.gz GNMIZFDTQTZKRL-QHHAFSJGSA-N 0 0 306.231 3.840 50 0 DHAARN Cc1cccc(-c2nnc3sc(-c4cccc(F)c4)nn32)c1 ZINC000001018221 563275192 /nfs/dbraw/zinc/27/51/92/563275192.db2.gz NUVUMFJNNKQMEW-UHFFFAOYSA-N 0 0 310.357 3.967 50 0 DHAARN CCCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)cs1 ZINC000001053906 563275661 /nfs/dbraw/zinc/27/56/61/563275661.db2.gz ZGSYOVDODJAAAF-UHFFFAOYSA-N 0 0 303.383 3.740 50 0 DHAARN CSc1ccccc1NC(=O)c1cc2ccccc2oc1=O ZINC000001055643 563276359 /nfs/dbraw/zinc/27/63/59/563276359.db2.gz WRGDLKZRFVUXRX-UHFFFAOYSA-N 0 0 311.362 3.767 50 0 DHAARN CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)c1ccccc1 ZINC000001061592 563276415 /nfs/dbraw/zinc/27/64/15/563276415.db2.gz MSPNYFWQTYDOPO-INIZCTEOSA-N 0 0 324.424 3.957 50 0 DHAARN COc1ccc(C(=O)Nc2c(C)cc(O)c(Cl)c2C)cc1 ZINC000001077309 563277166 /nfs/dbraw/zinc/27/71/66/563277166.db2.gz NAXRBFBCQSWDMN-UHFFFAOYSA-N 0 0 305.761 3.923 50 0 DHAARN CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000071884288 563279231 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50 0 DHAARN CC(C)OC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc32)cc1 ZINC000032736355 563388835 /nfs/dbraw/zinc/38/88/35/563388835.db2.gz CGILNQBZQCAONE-UHFFFAOYSA-N 0 0 322.364 3.985 50 0 DHAARN Cn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000032738548 563389543 /nfs/dbraw/zinc/38/95/43/563389543.db2.gz WSHKKNGZOWLLMK-UHFFFAOYSA-N 0 0 308.425 3.877 50 0 DHAARN CC(=O)NCc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 ZINC000032737985 563389557 /nfs/dbraw/zinc/38/95/57/563389557.db2.gz SWZWFOGDSRPPCH-UHFFFAOYSA-N 0 0 310.397 3.698 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000013813637 563389893 /nfs/dbraw/zinc/38/98/93/563389893.db2.gz OJQRMYRRPQSTRE-UHFFFAOYSA-N 0 0 317.389 3.617 50 0 DHAARN Cc1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000032754667 563390641 /nfs/dbraw/zinc/39/06/41/563390641.db2.gz GEUIYFGZDSBEAL-UHFFFAOYSA-N 0 0 317.392 3.801 50 0 DHAARN CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)OC(C)(C)C)N1 ZINC000013897421 563391603 /nfs/dbraw/zinc/39/16/03/563391603.db2.gz QWTUCVIXRRHBPM-ZDUSSCGKSA-N 0 0 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COc1cccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 ZINC000032833045 563400975 /nfs/dbraw/zinc/40/09/75/563400975.db2.gz JOKBLHAYPUEYBK-UHFFFAOYSA-N 0 0 312.300 3.742 50 0 DHAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 ZINC000032841273 563401587 /nfs/dbraw/zinc/40/15/87/563401587.db2.gz GTPCRJPFNQUHCJ-UHFFFAOYSA-N 0 0 313.184 3.928 50 0 DHAARN COC(=O)c1ccc(Oc2ccc(Br)cc2N)cc1 ZINC000014631018 563402141 /nfs/dbraw/zinc/40/21/41/563402141.db2.gz QUCDPDYCTDAKDA-UHFFFAOYSA-N 0 0 322.158 3.610 50 0 DHAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000014795978 563402673 /nfs/dbraw/zinc/40/26/73/563402673.db2.gz MKFDVDOQWSXFTF-UHFFFAOYSA-N 0 0 304.390 3.706 50 0 DHAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)[C@@H]1CC=CCC1 ZINC000014728803 563403021 /nfs/dbraw/zinc/40/30/21/563403021.db2.gz XYONMMQSWQMIJG-CQSZACIVSA-N 0 0 322.412 3.525 50 0 DHAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000014899985 563403356 /nfs/dbraw/zinc/40/33/56/563403356.db2.gz NMEGMZNOURFNAF-UHFFFAOYSA-N 0 0 324.359 3.546 50 0 DHAARN C[C@H](c1cccs1)N(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032869838 563404438 /nfs/dbraw/zinc/40/44/38/563404438.db2.gz QIOHGXMDGXOPHU-SNVBAGLBSA-N 0 0 304.371 3.702 50 0 DHAARN CONC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000032882421 563407444 /nfs/dbraw/zinc/40/74/44/563407444.db2.gz QMFZBFLEWSSEGH-UHFFFAOYSA-N 0 0 322.364 3.619 50 0 DHAARN CC[C@H](C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000032895977 563408415 /nfs/dbraw/zinc/40/84/15/563408415.db2.gz XOTTXDJOSDOLAP-VIFPVBQESA-N 0 0 304.371 3.523 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1sccc1-n1cccc1 ZINC000032895691 563408499 /nfs/dbraw/zinc/40/84/99/563408499.db2.gz QUKGMPZWNYAKJD-UHFFFAOYSA-N 0 0 300.358 3.608 50 0 DHAARN CC(=O)Nc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000015302807 563409258 /nfs/dbraw/zinc/40/92/58/563409258.db2.gz XSSAOXBIXYQWNE-UHFFFAOYSA-N 0 0 308.381 3.776 50 0 DHAARN CN(CCCNC(=O)C(C)(C)c1ccccc1)c1ccccc1 ZINC000032903677 563410421 /nfs/dbraw/zinc/41/04/21/563410421.db2.gz WUCYQVANSOGTQV-UHFFFAOYSA-N 0 0 310.441 3.607 50 0 DHAARN COc1cccc(-c2noc(Nc3ccc(C)cc3)n2)c1OC ZINC000071928109 563411613 /nfs/dbraw/zinc/41/16/13/563411613.db2.gz ILCZROCNAGYQPE-UHFFFAOYSA-N 0 0 311.341 3.806 50 0 DHAARN CCOC(=O)N[C@@H](C(=O)Nc1ccc(C(C)C)cc1)C(C)C ZINC000032912170 563411644 /nfs/dbraw/zinc/41/16/44/563411644.db2.gz KQGGXGQIWDCVBS-OAHLLOKOSA-N 0 0 306.406 3.519 50 0 DHAARN Cc1c2ccc(C)cc2oc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000016391725 563412280 /nfs/dbraw/zinc/41/22/80/563412280.db2.gz JWWYQHJRNGHFHY-UHFFFAOYSA-N 0 0 323.348 3.708 50 0 DHAARN CCCc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000016604802 563412739 /nfs/dbraw/zinc/41/27/39/563412739.db2.gz OQZISNNQGRBBLY-UHFFFAOYSA-N 0 0 322.452 3.910 50 0 DHAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(F)cc1 ZINC000032930547 563413544 /nfs/dbraw/zinc/41/35/44/563413544.db2.gz FYUZKBMKRLFPCP-UHFFFAOYSA-N 0 0 322.339 3.943 50 0 DHAARN O=C(C[C@@H]1C=CCC1)NCc1ccnc(Oc2ccccc2)c1 ZINC000032930560 563413611 /nfs/dbraw/zinc/41/36/11/563413611.db2.gz MPQFLCXSVXNPGM-OAHLLOKOSA-N 0 0 308.381 3.846 50 0 DHAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000032931248 563413937 /nfs/dbraw/zinc/41/39/37/563413937.db2.gz REZQBCQQVAOHRP-ZANVPECISA-N 0 0 320.647 3.971 50 0 DHAARN CSc1ccccc1C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000032931260 563414307 /nfs/dbraw/zinc/41/43/07/563414307.db2.gz USHQAAZWYSHCKN-UKRRQHHQSA-N 0 0 307.459 3.734 50 0 DHAARN CCCNC(=O)Nc1cccc(OCc2csc(C)n2)c1 ZINC000069843862 563416652 /nfs/dbraw/zinc/41/66/52/563416652.db2.gz PIXYXCHJQGQDTI-UHFFFAOYSA-N 0 0 305.403 3.562 50 0 DHAARN Cc1ccc(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)cc1C ZINC000010683079 563416949 /nfs/dbraw/zinc/41/69/49/563416949.db2.gz LOCYSJJVYWBMQN-MRXNPFEDSA-N 0 0 321.467 3.795 50 0 DHAARN COc1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 ZINC000010808772 563418380 /nfs/dbraw/zinc/41/83/80/563418380.db2.gz FMIUAOVFRRULOF-UHFFFAOYSA-N 0 0 324.384 3.582 50 0 DHAARN Cn1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000010846978 563419146 /nfs/dbraw/zinc/41/91/46/563419146.db2.gz IDVBCGVAKMONJE-UHFFFAOYSA-N 0 0 301.202 3.536 50 0 DHAARN 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COC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(C)cc2)c1C ZINC000011400401 563525574 /nfs/dbraw/zinc/52/55/74/563525574.db2.gz ODEBIZGBAAFIGH-UHFFFAOYSA-N 0 0 317.410 3.702 50 0 DHAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CC=CCC1 ZINC000011418621 563525691 /nfs/dbraw/zinc/52/56/91/563525691.db2.gz IZRNVIQVEKPIRN-LBPRGKRZSA-N 0 0 318.804 3.762 50 0 DHAARN c1cncc(Cc2nc(-c3ccncc3)nn2C2CCCCC2)c1 ZINC000095367274 563529677 /nfs/dbraw/zinc/52/96/77/563529677.db2.gz GIBIDBXGOBBBKO-UHFFFAOYSA-N 0 0 319.412 3.831 50 0 DHAARN COc1cccc2c1OC[C@H](Cc1cc(C(C)C)nc(C)n1)C2 ZINC000095376126 563529804 /nfs/dbraw/zinc/52/98/04/563529804.db2.gz MFJGNIGUEVYMDL-AWEZNQCLSA-N 0 0 312.413 3.711 50 0 DHAARN Cc1ccc(CNC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 ZINC000011544341 563531554 /nfs/dbraw/zinc/53/15/54/563531554.db2.gz GGGSMVQNBOYZNS-UHFFFAOYSA-N 0 0 322.412 3.559 50 0 DHAARN Cc1cccc(-c2cccc(NC(=O)NCC3(CO)CC3)c2)c1 ZINC000096131810 563533256 /nfs/dbraw/zinc/53/32/56/563533256.db2.gz NONWUUOVQFLZSV-UHFFFAOYSA-N 0 0 310.397 3.556 50 0 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COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000011916449 563601835 /nfs/dbraw/zinc/60/18/35/563601835.db2.gz BZIYSSTVABWYLI-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCC2 ZINC000011916572 563601934 /nfs/dbraw/zinc/60/19/34/563601934.db2.gz XFMIYEWXPPKZRD-UHFFFAOYSA-N 0 0 320.392 3.554 50 0 DHAARN CCCOc1cccc(C(=O)Nc2onc3c2C[C@H](C)CC3)c1 ZINC000011915445 563602251 /nfs/dbraw/zinc/60/22/51/563602251.db2.gz FAYXGZFAXCOEGI-GFCCVEGCSA-N 0 0 314.385 3.841 50 0 DHAARN COc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 ZINC000011917179 563602338 /nfs/dbraw/zinc/60/23/38/563602338.db2.gz ROTPCJNEYDGNDD-UHFFFAOYSA-N 0 0 324.405 3.999 50 0 DHAARN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccncc1)c1ccccc1Cl ZINC000248260956 563602993 /nfs/dbraw/zinc/60/29/93/563602993.db2.gz QLVRHFHMCDPTRS-CQDKDKBSSA-N 0 0 300.789 3.716 50 0 DHAARN COc1ccc(C)cc1NC(=O)CSc1ccc(F)cc1 ZINC000000395805 563606268 /nfs/dbraw/zinc/60/62/68/563606268.db2.gz IXVHQEGKMPTKFK-UHFFFAOYSA-N 0 0 305.374 3.874 50 0 DHAARN O=C(Nc1ccc2nsnc2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000000313081 563607489 /nfs/dbraw/zinc/60/74/89/563607489.db2.gz YIMFDKQYURRVNN-CYBMUJFWSA-N 0 0 324.409 3.713 50 0 DHAARN CCCCn1c(C)c(C)nc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000063869873 563610017 /nfs/dbraw/zinc/61/00/17/563610017.db2.gz JZLKFNITKAONOV-UHFFFAOYSA-N 0 0 320.458 3.582 50 0 DHAARN Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2)cc1 ZINC000000429396 563613314 /nfs/dbraw/zinc/61/33/14/563613314.db2.gz HUFONLUUZZOOJD-UHFFFAOYSA-N 0 0 310.422 3.740 50 0 DHAARN CC[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000000217200 563615033 /nfs/dbraw/zinc/61/50/33/563615033.db2.gz LJXFGFOGKAXHSX-CYBMUJFWSA-N 0 0 305.381 3.825 50 0 DHAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1C ZINC000000252171 563616367 /nfs/dbraw/zinc/61/63/67/563616367.db2.gz ISFOSUUFILLVJL-AWEZNQCLSA-N 0 0 305.381 3.700 50 0 DHAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccco1 ZINC000000364637 563616418 /nfs/dbraw/zinc/61/64/18/563616418.db2.gz XHAOXRCWPDCTCA-UUILKARUSA-N 0 0 309.655 3.556 50 0 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O=C(/C=C/c1ccccc1)Nc1c2c(nc3c1CCC3)CCC2 ZINC000005338287 563624212 /nfs/dbraw/zinc/62/42/12/563624212.db2.gz ABPATDXXWDKSRE-OUKQBFOZSA-N 0 0 304.393 3.711 50 0 DHAARN O=C([C@H]1CC=CCC1)N(CCc1cccs1)C1CCOCC1 ZINC000206677064 563626160 /nfs/dbraw/zinc/62/61/60/563626160.db2.gz FAZMRVIXVWOSRS-HNNXBMFYSA-N 0 0 319.470 3.655 50 0 DHAARN O=C([C@@H]1CC=CCC1)N(CCc1cccs1)C1CCOCC1 ZINC000206677104 563626398 /nfs/dbraw/zinc/62/63/98/563626398.db2.gz FAZMRVIXVWOSRS-OAHLLOKOSA-N 0 0 319.470 3.655 50 0 DHAARN C[C@@]1(c2nc(-c3ccccc3OC(F)(F)F)no2)CCCO1 ZINC000273724018 563626419 /nfs/dbraw/zinc/62/64/19/563626419.db2.gz OHLNVIUOFUVCGB-ZDUSSCGKSA-N 0 0 314.263 3.661 50 0 DHAARN Brc1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NCN32)cc1 ZINC000017186047 563626948 /nfs/dbraw/zinc/62/69/48/563626948.db2.gz TZTPGHPXUKERKX-IEAUQHRDSA-N 0 0 313.198 3.635 50 0 DHAARN O=C(NCCc1ccccc1)c1ccc(F)cc1Br ZINC000017357534 563627225 /nfs/dbraw/zinc/62/72/25/563627225.db2.gz BSGPHDWIKHCMEO-UHFFFAOYSA-N 0 0 322.177 3.561 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000017355879 563627345 /nfs/dbraw/zinc/62/73/45/563627345.db2.gz KFHQQFMTVMUFSL-XUXNNNHQSA-N 0 0 314.429 3.552 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1 ZINC000000122613 563627723 /nfs/dbraw/zinc/62/77/23/563627723.db2.gz LSYGJIXVAKTIGL-UHFFFAOYSA-N 0 0 303.789 3.686 50 0 DHAARN CCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1F ZINC000000227408 563628263 /nfs/dbraw/zinc/62/82/63/563628263.db2.gz WCDQRIDCMFPPEM-UHFFFAOYSA-N 0 0 307.346 3.625 50 0 DHAARN Cn1c(CNc2ccc(Br)cc2)nc2ccccc21 ZINC000000214135 563628424 /nfs/dbraw/zinc/62/84/24/563628424.db2.gz DAMPPXDFGMIGTC-UHFFFAOYSA-N 0 0 316.202 3.948 50 0 DHAARN CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1 ZINC000000303121 563629266 /nfs/dbraw/zinc/62/92/66/563629266.db2.gz CJZDEQNTXMKDDB-UHFFFAOYSA-N 0 0 308.341 3.673 50 0 DHAARN Cc1cc(C(=O)NCc2ccccc2Br)cs1 ZINC000001053712 563632876 /nfs/dbraw/zinc/63/28/76/563632876.db2.gz GZBRCWPIHNJEKX-UHFFFAOYSA-N 0 0 310.216 3.749 50 0 DHAARN CC(=O)O[C@]1(Cc2ccccc2)CN2CC[C@H]1c1ccccc12 ZINC000104392522 563635544 /nfs/dbraw/zinc/63/55/44/563635544.db2.gz LVHTUQSUYMWMGX-AZUAARDMSA-N 0 0 307.393 3.539 50 0 DHAARN Nc1ccc(Br)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000585672558 563637582 /nfs/dbraw/zinc/63/75/82/563637582.db2.gz ZXLLGJOKFWOIHC-UHFFFAOYSA-N 0 0 317.108 4.112 50 0 DHAARN Cc1scc(C(=O)N2CCCCC[C@H]2c2ncon2)c1C ZINC000189653891 563642064 /nfs/dbraw/zinc/64/20/64/563642064.db2.gz NMMDXXLYFSBFBG-ZDUSSCGKSA-N 0 0 305.403 3.505 50 0 DHAARN O=C(Cc1cccs1)N1CCS[C@@H](c2ccco2)CC1 ZINC000207008031 563643622 /nfs/dbraw/zinc/64/36/22/563643622.db2.gz PQPGLUVSLNETEH-CQSZACIVSA-N 0 0 307.440 3.590 50 0 DHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1[nH]nc2ccccc21 ZINC000008746626 563644355 /nfs/dbraw/zinc/64/43/55/563644355.db2.gz KREMHNYFCZDMMN-UHFFFAOYSA-N 0 0 319.286 3.512 50 0 DHAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000100834881 563645307 /nfs/dbraw/zinc/64/53/07/563645307.db2.gz MDIULAIQZRCZJX-GOSISDBHSA-N 0 0 302.381 3.951 50 0 DHAARN COc1cccc(-n2c(=O)c3oc4ccccc4c3[nH]c2=S)c1 ZINC000100893072 563646039 /nfs/dbraw/zinc/64/60/39/563646039.db2.gz LCEBTOIPUNAZDP-UHFFFAOYSA-N 0 0 324.361 3.803 50 0 DHAARN C[C@H](O)c1ccc(CNc2ccc(Br)cn2)cc1 ZINC000180427197 563646141 /nfs/dbraw/zinc/64/61/41/563646141.db2.gz ZRFHTBHBCXNMJN-JTQLQIEISA-N 0 0 307.191 3.510 50 0 DHAARN O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000010112656 563646981 /nfs/dbraw/zinc/64/69/81/563646981.db2.gz ALKFJDWUVFRGRT-UHFFFAOYSA-N 0 0 317.410 3.809 50 0 DHAARN FC(F)(F)C(Oc1ccc(Br)nc1)C(F)(F)F ZINC000169725581 563647736 /nfs/dbraw/zinc/64/77/36/563647736.db2.gz AUIGOGQAUOCNGP-UHFFFAOYSA-N 0 0 324.018 3.716 50 0 DHAARN FC(F)(F)c1cc(Br)ccc1N1CCSC1 ZINC000169725694 563647745 /nfs/dbraw/zinc/64/77/45/563647745.db2.gz BNKVBMYITRUIIW-UHFFFAOYSA-N 0 0 312.154 3.979 50 0 DHAARN COc1cc(C)c(NC(=O)c2ccc(C)c(F)c2)cc1OC ZINC000011647894 563650206 /nfs/dbraw/zinc/65/02/06/563650206.db2.gz PTUPQDOGMXWWDP-UHFFFAOYSA-N 0 0 303.333 3.712 50 0 DHAARN COc1cccc(-c2cc(CC(=O)Nc3cccc(C)c3)no2)c1 ZINC000011693176 563650868 /nfs/dbraw/zinc/65/08/68/563650868.db2.gz SNEMEOBYRWMVAS-UHFFFAOYSA-N 0 0 322.364 3.840 50 0 DHAARN CCN(C)C(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000583651633 563651418 /nfs/dbraw/zinc/65/14/18/563651418.db2.gz PQBSGBRUYBVPTN-ZETCQYMHSA-N 0 0 315.204 3.592 50 0 DHAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCCCCC2)n1 ZINC000000499761 563652020 /nfs/dbraw/zinc/65/20/20/563652020.db2.gz RBZHQYGAGSUUKZ-UHFFFAOYSA-N 0 0 321.428 3.813 50 0 DHAARN COc1ccc(Cl)cc1Nc1c(N)oc(=O)c2ccccc21 ZINC000101426132 563655618 /nfs/dbraw/zinc/65/56/18/563655618.db2.gz BWAZIELSUCVKHN-UHFFFAOYSA-N 0 0 316.744 3.781 50 0 DHAARN CSc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccco1)=N2 ZINC000101416059 563656056 /nfs/dbraw/zinc/65/60/56/563656056.db2.gz BMRJIXBSXCECMN-ZDUSSCGKSA-N 0 0 310.382 3.649 50 0 DHAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccccc3C)C2)cc1 ZINC000102047589 563658294 /nfs/dbraw/zinc/65/82/94/563658294.db2.gz QYPDNOPCRIOEPK-SFHVURJKSA-N 0 0 302.381 3.951 50 0 DHAARN C[C@H]1C[C@@H](NC(=O)C=C(C2CC2)C2CC2)CN1c1ccccc1 ZINC000081192935 563659774 /nfs/dbraw/zinc/65/97/74/563659774.db2.gz ULZFZGXERKRIAG-WMLDXEAASA-N 0 0 310.441 3.516 50 0 DHAARN COc1ccc(CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000512075 563659846 /nfs/dbraw/zinc/65/98/46/563659846.db2.gz WSTUWMILSFVLFK-UHFFFAOYSA-N 0 0 311.425 3.965 50 0 DHAARN CC[C@@H]1Cn2c(C(=O)N3CCCCCC3)cc3cccc(c32)O1 ZINC000064657845 563662012 /nfs/dbraw/zinc/66/20/12/563662012.db2.gz ABCBJZAGKBPLCG-OAHLLOKOSA-N 0 0 312.413 3.829 50 0 DHAARN O=C1CCCC2=Nc3nonc3N[C@@H](c3cccc(Cl)c3)C12 ZINC000102750962 563662433 /nfs/dbraw/zinc/66/24/33/563662433.db2.gz SUTOXAIZGFTYNY-ZDUSSCGKSA-N 0 0 316.748 3.958 50 0 DHAARN COc1ccc([C@@H]2OC[C@]3(CO)[C@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000000519347 563662504 /nfs/dbraw/zinc/66/25/04/563662504.db2.gz RJYHUHMMBLCXKJ-QYESJMSASA-N 0 0 302.414 3.594 50 0 biogenic DHAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cccc(C)c3)C2)cc1 ZINC000102799124 563663190 /nfs/dbraw/zinc/66/31/90/563663190.db2.gz YRLYEQNNPUBBDC-SFHVURJKSA-N 0 0 302.381 3.951 50 0 DHAARN CC(C)=CCSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000000523637 563664574 /nfs/dbraw/zinc/66/45/74/563664574.db2.gz VPCCMLGDZXZDKH-JTQLQIEISA-N 0 0 313.423 3.714 50 0 DHAARN Fc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000529445 563665191 /nfs/dbraw/zinc/66/51/91/563665191.db2.gz MFAGLRXLSKLCCY-UHFFFAOYSA-N 0 0 319.343 3.567 50 0 DHAARN CCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc21 ZINC000000530309 563665861 /nfs/dbraw/zinc/66/58/61/563665861.db2.gz GEVOPYRQBDFURJ-UHFFFAOYSA-N 0 0 310.401 3.979 50 0 DHAARN COc1cccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)c1 ZINC000000532288 563665906 /nfs/dbraw/zinc/66/59/06/563665906.db2.gz YFDLLLYQDVWRDJ-IRXDYDNUSA-N 0 0 324.359 3.572 50 0 DHAARN CCOc1ccc2[nH]c3c(ncnc3N3CCC[C@@H](C)C3)c2c1 ZINC000000543369 563668815 /nfs/dbraw/zinc/66/88/15/563668815.db2.gz VEZBCYVSGHDUJG-GFCCVEGCSA-N 0 0 310.401 3.746 50 0 DHAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000000545727 563669455 /nfs/dbraw/zinc/66/94/55/563669455.db2.gz MHGTWACGQHJRII-UHFFFAOYSA-N 0 0 308.337 3.515 50 0 DHAARN Fc1ccc([C@@H]2N3CCCN3C(=S)N2c2ccccc2)cc1 ZINC000000552421 563669977 /nfs/dbraw/zinc/66/99/77/563669977.db2.gz UYEWESFPTVLZDS-MRXNPFEDSA-N 0 0 313.401 3.552 50 0 DHAARN COc1ccccc1CNC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000000555023 563670431 /nfs/dbraw/zinc/67/04/31/563670431.db2.gz OZSIUEYVDJUWSI-AWEZNQCLSA-N 0 0 315.438 3.801 50 0 DHAARN Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 ZINC000000565221 563671442 /nfs/dbraw/zinc/67/14/42/563671442.db2.gz FNGCVHKSPQXXBK-FQEVSTJZSA-N 0 0 323.392 3.531 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096223738 563672366 /nfs/dbraw/zinc/67/23/66/563672366.db2.gz HVGPJPPESOLLHK-OAHLLOKOSA-N 0 0 309.369 3.580 50 0 DHAARN Cc1cc(C)c(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1C ZINC000014790677 563673156 /nfs/dbraw/zinc/67/31/56/563673156.db2.gz DERKQXLUBHERNO-OAHLLOKOSA-N 0 0 316.426 3.853 50 0 DHAARN NC1=NN2C(=CS[C@H]2c2ccc(Cl)cc2Cl)S1 ZINC000005749484 563676024 /nfs/dbraw/zinc/67/60/24/563676024.db2.gz GPOGVLFLJBLHIE-VIFPVBQESA-N 0 0 304.227 3.816 50 0 DHAARN CCC(NCc1ccc(C)cc1)=C1N=C(c2ccccc2)OC1=O ZINC000110415662 563678021 /nfs/dbraw/zinc/67/80/21/563678021.db2.gz DTUYHWIPUDQZCO-ISLYRVAYSA-N 0 0 320.392 3.710 50 0 DHAARN O=C(C[C@H]1CCCO1)NCc1cccc(Oc2ccccc2)c1 ZINC000047110741 563678578 /nfs/dbraw/zinc/67/85/78/563678578.db2.gz XSZCFJKIQHIHHS-QGZVFWFLSA-N 0 0 311.381 3.664 50 0 DHAARN CCc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C)noc2n1 ZINC000036621610 563679018 /nfs/dbraw/zinc/67/90/18/563679018.db2.gz CINBLCHDVOKERT-UHFFFAOYSA-N 0 0 317.295 3.624 50 0 DHAARN CC(C)C(=O)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000047371750 563680429 /nfs/dbraw/zinc/68/04/29/563680429.db2.gz IISSNMNJXSOCIC-UHFFFAOYSA-N 0 0 306.369 3.733 50 0 DHAARN Cc1nc(CC(=O)N2CC(C)(C)c3c2cccc3Cl)cs1 ZINC000194927614 563681003 /nfs/dbraw/zinc/68/10/03/563681003.db2.gz OZCNBEHQWKZYOJ-UHFFFAOYSA-N 0 0 320.845 3.972 50 0 DHAARN Cn1cc(C(=O)Nc2cccc(-n3ccnc3)c2)c2ccccc21 ZINC000047533692 563681150 /nfs/dbraw/zinc/68/11/50/563681150.db2.gz NAZTZFRTANRFFV-UHFFFAOYSA-N 0 0 316.364 3.616 50 0 DHAARN O=C(c1cc2ccccc2cc1O)N1CCc2sccc2C1 ZINC000012215467 563681826 /nfs/dbraw/zinc/68/18/26/563681826.db2.gz CZKBZCORSNMFBG-UHFFFAOYSA-N 0 0 309.390 3.805 50 0 DHAARN Cc1nc(C)c(C(=O)N(C)Cc2nc3ccccc3s2)s1 ZINC000044869863 563684955 /nfs/dbraw/zinc/68/49/55/563684955.db2.gz MTDWGYPWSGJUOQ-UHFFFAOYSA-N 0 0 317.439 3.642 50 0 DHAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccccc1 ZINC000044892579 563686153 /nfs/dbraw/zinc/68/61/53/563686153.db2.gz JNUDMZPNXOZWBS-INIZCTEOSA-N 0 0 307.353 3.667 50 0 DHAARN COc1cccc([C@H]2CCCN2Cc2nnsc2Cl)c1 ZINC000044895160 563686188 /nfs/dbraw/zinc/68/61/88/563686188.db2.gz FWXJZDQNNGVBFP-CYBMUJFWSA-N 0 0 309.822 3.537 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000044935215 563687106 /nfs/dbraw/zinc/68/71/06/563687106.db2.gz ADSMVZMFCTWPJT-CQSZACIVSA-N 0 0 315.442 3.947 50 0 DHAARN O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1ccsc1 ZINC000044940743 563687110 /nfs/dbraw/zinc/68/71/10/563687110.db2.gz NYJBDVQJBDJCIH-INIZCTEOSA-N 0 0 324.405 3.567 50 0 DHAARN CCONC(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000045013579 563687611 /nfs/dbraw/zinc/68/76/11/563687611.db2.gz OXEWOUYVZQQKQW-UHFFFAOYSA-N 0 0 312.344 3.510 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(F)c2)on1 ZINC000044966540 563687776 /nfs/dbraw/zinc/68/77/76/563687776.db2.gz PCCHXSVXUIQRBU-WFASDCNBSA-N 0 0 317.364 3.730 50 0 DHAARN C[C@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1ccccn1 ZINC000045559974 563689169 /nfs/dbraw/zinc/68/91/69/563689169.db2.gz UORPWVCIQQNJBE-SWLSCSKDSA-N 0 0 313.426 3.679 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)N1CC[C@@H]1c1ccccc1 ZINC000045376841 563689318 /nfs/dbraw/zinc/68/93/18/563689318.db2.gz WTPSBHSUXMVVRQ-GOSISDBHSA-N 0 0 306.409 3.875 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)Nc1cccc(SC(F)F)c1 ZINC000108654072 563689403 /nfs/dbraw/zinc/68/94/03/563689403.db2.gz HTWCMJIWKWWHKE-UHFFFAOYSA-N 0 0 312.345 3.985 50 0 DHAARN CCN(CC)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000045990197 563690990 /nfs/dbraw/zinc/69/09/90/563690990.db2.gz AEFHMTVBEYAYJA-UHFFFAOYSA-N 0 0 317.364 3.564 50 0 DHAARN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)Cc1ccccc1 ZINC000046018214 563691785 /nfs/dbraw/zinc/69/17/85/563691785.db2.gz WSSABKOZCISCTR-GOSISDBHSA-N 0 0 315.438 3.662 50 0 DHAARN FC(F)n1c2ccccc2nc1CN1CCOc2ccccc21 ZINC000048234776 563693311 /nfs/dbraw/zinc/69/33/11/563693311.db2.gz OGRKJKQAUQZDKA-UHFFFAOYSA-N 0 0 315.323 3.830 50 0 DHAARN CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC000048219219 563693385 /nfs/dbraw/zinc/69/33/85/563693385.db2.gz LOVQQQIHTWBPLK-LLVKDONJSA-N 0 0 303.337 3.933 50 0 DHAARN C[C@@H]1C[C@H]1c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)o1 ZINC000048055620 563693544 /nfs/dbraw/zinc/69/35/44/563693544.db2.gz DIRZZAFVWMMRFE-IAQYHMDHSA-N 0 0 313.401 3.828 50 0 DHAARN COC(=O)c1cccc(C(=O)N[C@H](C)c2cc(C)sc2C)c1 ZINC000048236766 563693910 /nfs/dbraw/zinc/69/39/10/563693910.db2.gz RNIYXNANWGADJV-LLVKDONJSA-N 0 0 317.410 3.643 50 0 DHAARN CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)c1ccccc1C ZINC000048287205 563694903 /nfs/dbraw/zinc/69/49/03/563694903.db2.gz DPTHDIMZDPKJAB-UHFFFAOYSA-N 0 0 322.412 3.560 50 0 DHAARN COc1ccc(OC)c(CCC(=O)N(C)C2CCC(C)CC2)c1 ZINC000048303209 563695081 /nfs/dbraw/zinc/69/50/81/563695081.db2.gz KDHRUFHUOLNNNV-UHFFFAOYSA-N 0 0 319.445 3.674 50 0 DHAARN C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCSc2ccccc21 ZINC000048253718 563695098 /nfs/dbraw/zinc/69/50/98/563695098.db2.gz CAOGGRJYXQDYGS-WFASDCNBSA-N 0 0 316.426 3.747 50 0 DHAARN CCc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc(O)cc1 ZINC000048303032 563695841 /nfs/dbraw/zinc/69/58/41/563695841.db2.gz TZNKCXJOCKJLRG-IBGZPJMESA-N 0 0 324.424 3.730 50 0 DHAARN O=C(c1ccc(SCCc2ccccc2)nc1)N1CCCC1 ZINC000048325866 563696433 /nfs/dbraw/zinc/69/64/33/563696433.db2.gz HCWCCPLJPMMTDQ-UHFFFAOYSA-N 0 0 312.438 3.652 50 0 DHAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)NCc1ccccc1 ZINC000048344257 563697189 /nfs/dbraw/zinc/69/71/89/563697189.db2.gz SQRAKSOMHWHHOH-CQSZACIVSA-N 0 0 319.408 3.997 50 0 DHAARN C[C@@H](Sc1nc[nH]n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000048356163 563697470 /nfs/dbraw/zinc/69/74/70/563697470.db2.gz OJRMUYPHKJXUJL-GFCCVEGCSA-N 0 0 324.409 3.910 50 0 DHAARN C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000048355899 563697576 /nfs/dbraw/zinc/69/75/76/563697576.db2.gz FAABAIREPQWXPS-WFASDCNBSA-N 0 0 304.415 3.819 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2C)cc1 ZINC000048390627 563698213 /nfs/dbraw/zinc/69/82/13/563698213.db2.gz PHZMNPCJQQZJBB-UHFFFAOYSA-N 0 0 311.385 3.665 50 0 DHAARN CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000048784730 563699657 /nfs/dbraw/zinc/69/96/57/563699657.db2.gz KTEJFJCRNWBVMD-UHFFFAOYSA-N 0 0 315.392 3.645 50 0 DHAARN CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000048784772 563699891 /nfs/dbraw/zinc/69/98/91/563699891.db2.gz BDVGHSIMUQIEKN-UHFFFAOYSA-N 0 0 315.392 3.645 50 0 DHAARN Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190275026 563702938 /nfs/dbraw/zinc/70/29/38/563702938.db2.gz USVBDIFNBRQQOA-LLVKDONJSA-N 0 0 322.380 3.750 50 0 DHAARN COCCN(Cc1cccs1)C(=O)c1ccc2[nH]ccc2c1 ZINC000055088928 563703281 /nfs/dbraw/zinc/70/32/81/563703281.db2.gz BCEICVBUGJILAG-UHFFFAOYSA-N 0 0 314.410 3.518 50 0 DHAARN COC[C@H](c1ccccn1)N(C)Cc1cc(-c2ccccc2)no1 ZINC000215149259 563704450 /nfs/dbraw/zinc/70/44/50/563704450.db2.gz RNCGUBKTRGYSFH-LJQANCHMSA-N 0 0 323.396 3.556 50 0 DHAARN c1cc([C@H]2CCCO2)sc1CN1CCOC2(CCCC2)C1 ZINC000215252397 563704666 /nfs/dbraw/zinc/70/46/66/563704666.db2.gz XORCUHVUNJKPFI-OAHLLOKOSA-N 0 0 307.459 3.745 50 0 DHAARN Cc1ccc(-c2ccnc(-c3cccc4c3OCC4)n2)c(C)n1 ZINC000215708210 563706988 /nfs/dbraw/zinc/70/69/88/563706988.db2.gz UEKHMAYJTVKDKG-UHFFFAOYSA-N 0 0 303.365 3.757 50 0 DHAARN FC1(F)CCN(Cc2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000216278998 563709091 /nfs/dbraw/zinc/70/90/91/563709091.db2.gz WCUXRWPZJMEAJS-UHFFFAOYSA-N 0 0 311.763 3.757 50 0 DHAARN O=C(Cc1cnc(-c2ccccc2F)s1)Nc1nccs1 ZINC000012322129 563713406 /nfs/dbraw/zinc/71/34/06/563713406.db2.gz IWMUCMXIMZMNQU-UHFFFAOYSA-N 0 0 319.386 3.587 50 0 DHAARN ClC1(Cl)C[C@H]1CSc1n[nH]c(-c2ccccc2)n1 ZINC000007294325 563716230 /nfs/dbraw/zinc/71/62/30/563716230.db2.gz WOECJLAAHDUCNI-VIFPVBQESA-N 0 0 300.214 3.758 50 0 DHAARN O=C(NCc1sc2ccccc2c1Cl)[C@H]1CCC[C@H](O)C1 ZINC000219299284 563718292 /nfs/dbraw/zinc/71/82/92/563718292.db2.gz YGJDFORLCZXBOY-QWRGUYRKSA-N 0 0 323.845 3.722 50 0 DHAARN COc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1O ZINC000000818134 563721460 /nfs/dbraw/zinc/72/14/60/563721460.db2.gz KKMYSIQVPNDSRB-IBGZPJMESA-N 0 0 321.380 3.854 50 0 DHAARN CC[C@H](NC(=O)c1ccc(-c2ccc(C)o2)cc1)C1CC(O)C1 ZINC000220040768 563722269 /nfs/dbraw/zinc/72/22/69/563722269.db2.gz GIJZXLQZYLBBGV-JCYILVPMSA-N 0 0 313.397 3.534 50 0 DHAARN Cc1n[nH]cc1CN(C)C(=O)c1cccc(-c2cccc(F)c2)c1 ZINC000219989042 563722451 /nfs/dbraw/zinc/72/24/51/563722451.db2.gz RWBAORRDWPSBNB-UHFFFAOYSA-N 0 0 323.371 3.796 50 0 DHAARN O=C(Nc1ccc(N2CCCC2)nc1)[C@H]1CCCc2ccccc21 ZINC000032760229 563723209 /nfs/dbraw/zinc/72/32/09/563723209.db2.gz BIXYTWCSKKQYNK-SFHVURJKSA-N 0 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O=C(CC1(O)CCCCC1)NCCc1ccc2ccccc2c1 ZINC000084605856 563828123 /nfs/dbraw/zinc/82/81/23/563828123.db2.gz OMGRXKNSANJZRY-UHFFFAOYSA-N 0 0 311.425 3.584 50 0 DHAARN c1ccc2sc(NCCNc3cnc4ccccc4n3)nc2c1 ZINC000084605642 563828442 /nfs/dbraw/zinc/82/84/42/563828442.db2.gz NOHQBMWILJIIPB-UHFFFAOYSA-N 0 0 321.409 3.764 50 0 DHAARN C[C@H](CNC(=O)[C@H]1CC=CCC1)c1nc2ccccc2s1 ZINC000084638299 563828883 /nfs/dbraw/zinc/82/88/83/563828883.db2.gz DNRBXPNUZGKPFZ-OLZOCXBDSA-N 0 0 300.427 3.872 50 0 DHAARN C[C@@H]1CCN(C(=O)COC(=O)CC2CCCC2)[C@@H]2CCCC[C@H]12 ZINC000084697817 563829702 /nfs/dbraw/zinc/82/97/02/563829702.db2.gz MHXGKFMCSLRLCX-DJIMGWMZSA-N 0 0 321.461 3.537 50 0 DHAARN CC(C)COc1ccc(C(C)(C)C(=O)NCc2ccc[nH]2)cc1 ZINC000074122348 563830586 /nfs/dbraw/zinc/83/05/86/563830586.db2.gz BNJSRFYRSCGMAM-UHFFFAOYSA-N 0 0 314.429 3.644 50 0 DHAARN O=C(NC1CC1)c1cccnc1Sc1ccccc1Cl ZINC000012784818 563831306 /nfs/dbraw/zinc/83/13/06/563831306.db2.gz ABSZUJNYGKBTKZ-UHFFFAOYSA-N 0 0 304.802 3.778 50 0 DHAARN Cc1cc(C)cc(C(=O)NCc2coc(-c3cccs3)n2)c1 ZINC000012784740 563831506 /nfs/dbraw/zinc/83/15/06/563831506.db2.gz OMVYHKKWUGSZOB-UHFFFAOYSA-N 0 0 312.394 3.950 50 0 DHAARN CCOC(=O)c1cccc(NC(=O)c2ccccc2SC)c1 ZINC000010440857 563832126 /nfs/dbraw/zinc/83/21/26/563832126.db2.gz BGXWENQKTZEBRI-UHFFFAOYSA-N 0 0 315.394 3.838 50 0 DHAARN COc1cc(CNc2ncccn2)ccc1OCc1ccccc1 ZINC000012795021 563832626 /nfs/dbraw/zinc/83/26/26/563832626.db2.gz LAZXHFUVKOBFLQ-UHFFFAOYSA-N 0 0 321.380 3.676 50 0 DHAARN CC(C)Oc1cc(N2CON(C)C2=O)c(Cl)cc1Cl ZINC000085389012 563835044 /nfs/dbraw/zinc/83/50/44/563835044.db2.gz CFBQDUSXPDYJOE-UHFFFAOYSA-N 0 0 305.161 3.542 50 0 DHAARN CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1ccccc1Cl ZINC000011903304 563835772 /nfs/dbraw/zinc/83/57/72/563835772.db2.gz QFKYQJYMUUYWAQ-ZDUSSCGKSA-N 0 0 321.833 3.948 50 0 DHAARN CCCc1cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cs1 ZINC000001460423 563836719 /nfs/dbraw/zinc/83/67/19/563836719.db2.gz ZPNBAPHAJROSLG-CQSZACIVSA-N 0 0 308.491 3.551 50 0 DHAARN C[C@@H]1CCN(C(=O)CC2CCOCC2)c2ccccc2S1 ZINC000117126487 563838119 /nfs/dbraw/zinc/83/81/19/563838119.db2.gz GPFQLWPBIZFWPM-CYBMUJFWSA-N 0 0 305.443 3.721 50 0 DHAARN COc1ccc(Cl)cc1COc1ccc(C=O)cc1OC ZINC000035181185 563839738 /nfs/dbraw/zinc/83/97/38/563839738.db2.gz FRTXUJKGBGQEOR-UHFFFAOYSA-N 0 0 306.745 3.749 50 0 DHAARN CC[C@@H](C)N(C(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000013882886 563840140 /nfs/dbraw/zinc/84/01/40/563840140.db2.gz DXBOKWYWLTXTDK-BETUJISGSA-N 0 0 323.433 3.752 50 0 DHAARN Cc1c(C(=O)Nc2ccc3ccccc3n2)[nH]c2c1C(=O)CCC2 ZINC000053280330 563842297 /nfs/dbraw/zinc/84/22/97/563842297.db2.gz DSVHGBYVXWJFAI-UHFFFAOYSA-N 0 0 319.364 3.643 50 0 DHAARN Cc1nnc([C@H](C)N2CCC(c3ccc(Cl)cc3)CC2)o1 ZINC000185797309 563842727 /nfs/dbraw/zinc/84/27/27/563842727.db2.gz VMLJVMNNFHDBCQ-NSHDSACASA-N 0 0 305.809 3.972 50 0 DHAARN O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1 ZINC000012825657 563843890 /nfs/dbraw/zinc/84/38/90/563843890.db2.gz JFPXHKUENJSYJU-UHFFFAOYSA-N 0 0 311.715 3.871 50 0 DHAARN O=C(NC1CC1)[C@H](Oc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000012865374 563845491 /nfs/dbraw/zinc/84/54/91/563845491.db2.gz VJSSAQRTUGNZCZ-MRXNPFEDSA-N 0 0 321.298 3.503 50 0 DHAARN CCCC(=O)[C@@H](C[Si](C)(C)C)S(=O)(=O)c1ccccc1 ZINC000169837116 563849570 /nfs/dbraw/zinc/84/95/70/563849570.db2.gz BCLYGJCECZTPRV-OAHLLOKOSA-N 0 0 312.507 3.536 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000012878977 563850765 /nfs/dbraw/zinc/85/07/65/563850765.db2.gz HFAHXYGPWNEARM-PXAZEXFGSA-N 0 0 315.800 3.911 50 0 DHAARN CSc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000012906046 563853416 /nfs/dbraw/zinc/85/34/16/563853416.db2.gz DESAVCZVRGUAGW-UHFFFAOYSA-N 0 0 315.394 3.709 50 0 DHAARN C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000012914544 563853663 /nfs/dbraw/zinc/85/36/63/563853663.db2.gz QQWACIVIYKMTMD-UHFFFAOYSA-N 0 0 320.339 3.602 50 0 DHAARN COc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1F ZINC000012915496 563853785 /nfs/dbraw/zinc/85/37/85/563853785.db2.gz DXCLAGLGBBVBOK-QGZVFWFLSA-N 0 0 313.372 3.984 50 0 DHAARN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1 ZINC000012918560 563853842 /nfs/dbraw/zinc/85/38/42/563853842.db2.gz IJASMYOJFIBLMP-ZDUSSCGKSA-N 0 0 315.394 3.815 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)o2)c1C ZINC000012921598 563854570 /nfs/dbraw/zinc/85/45/70/563854570.db2.gz DHBADXUSWPHCNE-UHFFFAOYSA-N 0 0 306.749 3.842 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)N[C@H](c1nccs1)C1CC1 ZINC000074708932 563856683 /nfs/dbraw/zinc/85/66/83/563856683.db2.gz LBYKXNNYKYDRAH-ABAIWWIYSA-N 0 0 313.426 3.755 50 0 DHAARN CCOc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)cc1 ZINC000075105312 563859567 /nfs/dbraw/zinc/85/95/67/563859567.db2.gz RWDIAEOUBQCJBK-UHFFFAOYSA-N 0 0 323.348 3.752 50 0 DHAARN CCc1onc(C)c1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000186733113 563860175 /nfs/dbraw/zinc/86/01/75/563860175.db2.gz BYZQZAZJTNOPJH-UHFFFAOYSA-N 0 0 313.401 3.741 50 0 DHAARN CCN(C(=O)C1CCC1)c1ccc(NC(=O)C2CCC2)cc1 ZINC000075140492 563860937 /nfs/dbraw/zinc/86/09/37/563860937.db2.gz MWBATQIRXZJOEB-UHFFFAOYSA-N 0 0 300.402 3.578 50 0 DHAARN CC(C)(C)[C@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000075157881 563861152 /nfs/dbraw/zinc/86/11/52/563861152.db2.gz PAOIBHIICDNADT-GFCCVEGCSA-N 0 0 319.232 3.912 50 0 DHAARN Cc1nnc2c3ccccc3nc(Nc3ccc(F)cc3C)n12 ZINC000016282780 563862287 /nfs/dbraw/zinc/86/22/87/563862287.db2.gz CNXUVJJRBZGXPL-UHFFFAOYSA-N 0 0 307.332 3.777 50 0 DHAARN CCc1nc(-c2cc(NC(=O)c3ccco3)c(C)s2)no1 ZINC000075351544 563863679 /nfs/dbraw/zinc/86/36/79/563863679.db2.gz XVLVKIHYJKVQSY-UHFFFAOYSA-N 0 0 303.343 3.514 50 0 DHAARN Cc1ccc(C)c(C(=O)NCC[C@@H](CCO)c2cccs2)c1 ZINC000575603408 563864791 /nfs/dbraw/zinc/86/47/91/563864791.db2.gz GAYYOGNIFKVPIO-HNNXBMFYSA-N 0 0 317.454 3.651 50 0 DHAARN COc1ccccc1NC(=O)NCc1ccc(-c2ccoc2)o1 ZINC000575610505 563865696 /nfs/dbraw/zinc/86/56/96/563865696.db2.gz OWYJSCHCZGFLKT-UHFFFAOYSA-N 0 0 312.325 3.870 50 0 DHAARN CCc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1 ZINC000075436835 563870829 /nfs/dbraw/zinc/87/08/29/563870829.db2.gz SBGKUFQMWKFPRS-UHFFFAOYSA-N 0 0 309.291 3.619 50 0 DHAARN C[C@@H]1CCCCN1c1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000035538570 563872420 /nfs/dbraw/zinc/87/24/20/563872420.db2.gz NFVCAUYAOTWWEZ-LLVKDONJSA-N 0 0 312.348 3.803 50 0 DHAARN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C)cc2C)c1 ZINC000012989914 563873461 /nfs/dbraw/zinc/87/34/61/563873461.db2.gz ICWRNXUQUBTUQR-OAHLLOKOSA-N 0 0 311.381 3.912 50 0 DHAARN COc1ccc(Br)cc1C(=O)Nc1ccccc1F ZINC000000859214 563874556 /nfs/dbraw/zinc/87/45/56/563874556.db2.gz HUINGTOOFIWBBO-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN Cc1ccccc1OCCN(C)C(=O)c1cc(Cl)ccc1O ZINC000013006238 563874980 /nfs/dbraw/zinc/87/49/80/563874980.db2.gz GPBJSJKURLHXDJ-UHFFFAOYSA-N 0 0 319.788 3.505 50 0 DHAARN C[C@@H](Cc1ccoc1)NC(=O)c1csc(-c2ccccc2)n1 ZINC000206717930 563876128 /nfs/dbraw/zinc/87/61/28/563876128.db2.gz YTAKICFWTJHKCD-LBPRGKRZSA-N 0 0 312.394 3.764 50 0 DHAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H]1c1ccncc1 ZINC000123404091 563876189 /nfs/dbraw/zinc/87/61/89/563876189.db2.gz OSSWBSPCRFQXKI-KZNAEPCWSA-N 0 0 310.372 3.688 50 0 DHAARN Nc1cccc(CSc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000191555957 563877259 /nfs/dbraw/zinc/87/72/59/563877259.db2.gz PGLLLENOVKKYRH-UHFFFAOYSA-N 0 0 301.346 3.750 50 0 DHAARN CCCn1cc(-c2ccncc2)cc1C(=O)N1CCC[C@H](C)C1 ZINC000075509098 563877994 /nfs/dbraw/zinc/87/79/94/563877994.db2.gz CAJJRCIZPUPPOF-HNNXBMFYSA-N 0 0 311.429 3.832 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)N[C@@H](C)Cc1ccccc1F ZINC000053189850 563878008 /nfs/dbraw/zinc/87/80/08/563878008.db2.gz QCWBAEPMICYDSL-NSHDSACASA-N 0 0 304.365 3.607 50 0 DHAARN Cc1cc(C)n(CCCNc2nnc(-c3ccccc3)s2)n1 ZINC000026692556 563878589 /nfs/dbraw/zinc/87/85/89/563878589.db2.gz DSZPCTWCAPRTBJ-UHFFFAOYSA-N 0 0 313.430 3.521 50 0 DHAARN O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCOc2ccccc21 ZINC000053961647 563879174 /nfs/dbraw/zinc/87/91/74/563879174.db2.gz AOWOQVKVTGCYLF-AWEZNQCLSA-N 0 0 304.296 3.610 50 0 DHAARN Cc1csc(C2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)n1 ZINC000241287462 563880332 /nfs/dbraw/zinc/88/03/32/563880332.db2.gz LLNBLLSALQBDRK-FICVDOATSA-N 0 0 304.459 3.594 50 0 DHAARN Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)c1ccncc1 ZINC000091842318 563881379 /nfs/dbraw/zinc/88/13/79/563881379.db2.gz RHHZDEQVKUGGNC-MSOLQXFVSA-N 0 0 308.425 3.588 50 0 DHAARN CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000245309424 563881710 /nfs/dbraw/zinc/88/17/10/563881710.db2.gz CSFSBBSLGDYJQJ-BHIYHBOVSA-N 0 0 319.420 3.821 50 0 DHAARN CCn1nc(C)c(CNc2cc(OC)c(Cl)cc2OC)c1C ZINC000092174792 563881963 /nfs/dbraw/zinc/88/19/63/563881963.db2.gz XKKSQDSJAOYNNP-UHFFFAOYSA-N 0 0 323.824 3.803 50 0 DHAARN CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(-c2ccccc2)nn1 ZINC000245992330 563882987 /nfs/dbraw/zinc/88/29/87/563882987.db2.gz GPGOYNOZMDTPCO-HWWDLCQESA-N 0 0 307.397 3.543 50 0 DHAARN C[C@@H]1CCC[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)[C@H]1C ZINC000252452913 563883830 /nfs/dbraw/zinc/88/38/30/563883830.db2.gz NIVFFJPVZVBVHH-GLJUWKHASA-N 0 0 319.470 3.718 50 0 DHAARN CCn1ccc2cc(CCC(=O)N[C@@H](C)c3ccccn3)ccc21 ZINC000075550662 563884044 /nfs/dbraw/zinc/88/40/44/563884044.db2.gz RTWKRVBRCRWCOM-HNNXBMFYSA-N 0 0 321.424 3.866 50 0 DHAARN C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC(=O)CC[C@@]34CO)[C@H]1CCC2=O ZINC000253497973 563884314 /nfs/dbraw/zinc/88/43/14/563884314.db2.gz VTIPICLYPXESHJ-SEVYPCERSA-N 0 0 318.457 3.530 50 0 DHAARN CC(C)CCO[C@H]1CCCC[C@H]1NC(=O)CCc1ccco1 ZINC000089336794 563884766 /nfs/dbraw/zinc/88/47/66/563884766.db2.gz CFWSTGFMQHYFNT-SJORKVTESA-N 0 0 307.434 3.702 50 0 DHAARN CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3s1)C2 ZINC000054125400 563885415 /nfs/dbraw/zinc/88/54/15/563885415.db2.gz YTNRGUSKQNOWTG-UHFFFAOYSA-N 0 0 323.421 3.817 50 0 DHAARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000001934578 563886344 /nfs/dbraw/zinc/88/63/44/563886344.db2.gz HVKGYCOXJBODAG-UHFFFAOYSA-N 0 0 309.431 3.932 50 0 DHAARN O=C(COc1ccc2ccc(=O)oc2c1)c1ccc(Cl)cc1 ZINC000000389336 563886770 /nfs/dbraw/zinc/88/67/70/563886770.db2.gz ANNQNLLWOKYDED-UHFFFAOYSA-N 0 0 314.724 3.708 50 0 biogenic DHAARN Cc1cccc(NC(=O)COC(=O)c2cccc(Cl)c2)c1C ZINC000001993403 563886937 /nfs/dbraw/zinc/88/69/37/563886937.db2.gz VAEULLYRWYKYRV-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN Cc1occc1CNC(=O)N(Cc1ccccc1)CC(F)F ZINC000089540710 563890883 /nfs/dbraw/zinc/89/08/83/563890883.db2.gz SDTKBTFWEMQOEU-UHFFFAOYSA-N 0 0 308.328 3.565 50 0 DHAARN CCc1noc2nc(C)nc(NCc3cccc(Cl)c3)c12 ZINC000064658809 563892106 /nfs/dbraw/zinc/89/21/06/563892106.db2.gz YXZCYSNBGKDAQH-UHFFFAOYSA-N 0 0 302.765 3.754 50 0 DHAARN COC(=O)c1ccc(C)cc1NC(=O)n1ncc2cc(C)ccc21 ZINC000064662617 563892286 /nfs/dbraw/zinc/89/22/86/563892286.db2.gz YBDWXOZFXNHFMY-UHFFFAOYSA-N 0 0 323.352 3.520 50 0 DHAARN O=C([O-])c1ccccc1SC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036056950 563892320 /nfs/dbraw/zinc/89/23/20/563892320.db2.gz FUSMGHBUCDVHPC-UKRRQHHQSA-N 0 0 305.443 3.741 50 0 DHAARN O=C(C1CCCCC1)N1CC(OCc2ccccc2Cl)C1 ZINC000064665933 563892381 /nfs/dbraw/zinc/89/23/81/563892381.db2.gz KGQCXRGAANQRME-UHFFFAOYSA-N 0 0 307.821 3.648 50 0 DHAARN CC(C)CNC(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000036084031 563892809 /nfs/dbraw/zinc/89/28/09/563892809.db2.gz KVSDEVNOPICFIE-UHFFFAOYSA-N 0 0 324.833 3.761 50 0 DHAARN CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2)nc2ccnn21 ZINC000064760783 563893398 /nfs/dbraw/zinc/89/33/98/563893398.db2.gz YLPIMCUHKSFGOE-UHFFFAOYSA-N 0 0 314.776 3.758 50 0 DHAARN O=C1c2ccccc2C(=O)N1c1ccc(-c2nccs2)cc1 ZINC000036108775 563894119 /nfs/dbraw/zinc/89/41/19/563894119.db2.gz WWUDFEQIRWCDKL-UHFFFAOYSA-N 0 0 306.346 3.611 50 0 DHAARN O=C(CC1CCCC1)NCc1noc(-c2cccc(Cl)c2)n1 ZINC000064814823 563894456 /nfs/dbraw/zinc/89/44/56/563894456.db2.gz FTFLOPJQEPNEGQ-UHFFFAOYSA-N 0 0 319.792 3.587 50 0 DHAARN O=C(NCCc1ccccc1)c1cncc(-c2ccccc2F)c1 ZINC000036349413 563895776 /nfs/dbraw/zinc/89/57/76/563895776.db2.gz BUAVGYHVJRSXCN-UHFFFAOYSA-N 0 0 320.367 3.860 50 0 DHAARN COc1ccc(NC(=O)c2cc3occc3n2C)cc1Cl ZINC000036364910 563896315 /nfs/dbraw/zinc/89/63/15/563896315.db2.gz CZDMAEFVSRKNQQ-UHFFFAOYSA-N 0 0 304.733 3.686 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)N1CCOc2ccccc21 ZINC000006842537 563896437 /nfs/dbraw/zinc/89/64/37/563896437.db2.gz SNWASNYGARKORL-UHFFFAOYSA-N 0 0 308.381 3.996 50 0 DHAARN Cc1nc(NC2CC2)sc1C(=O)NCCC1=CCCCC1 ZINC000036358127 563896463 /nfs/dbraw/zinc/89/64/63/563896463.db2.gz ZBHRFCYYRCIFMY-UHFFFAOYSA-N 0 0 305.447 3.646 50 0 DHAARN Cc1ccc2onc(CNC(=O)NCCC3=CCCCC3)c2c1 ZINC000006865894 563897518 /nfs/dbraw/zinc/89/75/18/563897518.db2.gz CXMUBHQVWDQLQX-UHFFFAOYSA-N 0 0 313.401 3.826 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@@H]3CCCC[C@H]3C)c2c1 ZINC000006866224 563897558 /nfs/dbraw/zinc/89/75/58/563897558.db2.gz VUXXHRUEGZWTPI-TZMCWYRMSA-N 0 0 301.390 3.514 50 0 DHAARN O=C(CCc1cccs1)Nc1ccccc1Cn1cccn1 ZINC000036390718 563897995 /nfs/dbraw/zinc/89/79/95/563897995.db2.gz HHSCVINUNFMNEZ-UHFFFAOYSA-N 0 0 311.410 3.564 50 0 DHAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(F)cc1 ZINC000006881816 563898410 /nfs/dbraw/zinc/89/84/10/563898410.db2.gz CJWQJLLZWQHCEF-UHFFFAOYSA-N 0 0 323.799 3.570 50 0 DHAARN O=C(Nc1ccccc1Cn1cccn1)c1ccc(Cl)cc1 ZINC000036398282 563898675 /nfs/dbraw/zinc/89/86/75/563898675.db2.gz VIOVQPPFQBFZHQ-UHFFFAOYSA-N 0 0 311.772 3.837 50 0 DHAARN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]CCCc1ccccc1 ZINC000006894427 563899062 /nfs/dbraw/zinc/89/90/62/563899062.db2.gz UHVJYEMNGHASBY-UHFFFAOYSA-N 0 0 322.408 3.897 50 0 DHAARN CCc1nc2cc(-c3noc(-c4ccc(OC)nc4)n3)ccc2o1 ZINC000065149773 563899678 /nfs/dbraw/zinc/89/96/78/563899678.db2.gz OYZDJMQWIHPJNN-UHFFFAOYSA-N 0 0 322.324 3.511 50 0 DHAARN COc1cccc(C(=O)Nc2cc(-c3ccsc3)no2)c1 ZINC000065153162 563900312 /nfs/dbraw/zinc/90/03/12/563900312.db2.gz FNANYGHTLNVMEK-UHFFFAOYSA-N 0 0 300.339 3.664 50 0 DHAARN O=C(NC1CC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000006986974 563900928 /nfs/dbraw/zinc/90/09/28/563900928.db2.gz YICSUMXFWMQJJQ-INIZCTEOSA-N 0 0 319.763 3.878 50 0 DHAARN Cc1cccc(CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000007004547 563901024 /nfs/dbraw/zinc/90/10/24/563901024.db2.gz AEOLFYUEIQGKSV-KUHUBIRLSA-N 0 0 314.429 3.632 50 0 DHAARN CCc1ccc(CNC(=O)c2cn(CC)c3ncccc23)cc1 ZINC000065216722 563901032 /nfs/dbraw/zinc/90/10/32/563901032.db2.gz FOGDHKBMHQSFIR-UHFFFAOYSA-N 0 0 307.397 3.549 50 0 DHAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000007056367 563901839 /nfs/dbraw/zinc/90/18/39/563901839.db2.gz JDGOLDRYOSQGLQ-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN CN(Cc1cccnc1Oc1ccccc1)C(=O)c1ccco1 ZINC000065267075 563901886 /nfs/dbraw/zinc/90/18/86/563901886.db2.gz AKYMSZPTKUUXJC-UHFFFAOYSA-N 0 0 308.337 3.739 50 0 DHAARN CCOC(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2)c1 ZINC000007071585 563902353 /nfs/dbraw/zinc/90/23/53/563902353.db2.gz JSKFGJOPRFOPLD-UHFFFAOYSA-N 0 0 314.341 3.516 50 0 DHAARN Cc1cc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)o2)c(C)o1 ZINC000036662977 563902740 /nfs/dbraw/zinc/90/27/40/563902740.db2.gz SZRZGLSYTABBRC-UHFFFAOYSA-N 0 0 311.341 3.816 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2ccccc2c(=O)[nH]1 ZINC000007132629 563903637 /nfs/dbraw/zinc/90/36/37/563903637.db2.gz PCKINIFJWBVIRE-UHFFFAOYSA-N 0 0 316.719 3.573 50 0 DHAARN Cc1ccc2nc(CSCc3cccc(F)c3)cc(=O)n2c1 ZINC000007145519 563903964 /nfs/dbraw/zinc/90/39/64/563903964.db2.gz YCYYQUZTDPFERS-UHFFFAOYSA-N 0 0 314.385 3.575 50 0 DHAARN CCCCCCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000007154759 563904017 /nfs/dbraw/zinc/90/40/17/563904017.db2.gz VKOXDNHNJORSTA-KAMYIIQDSA-N 0 0 305.399 3.970 50 0 DHAARN O=C(OCc1cc(-c2ccco2)on1)c1ccc2ccccc2n1 ZINC000007196650 563904323 /nfs/dbraw/zinc/90/43/23/563904323.db2.gz ITNJVRFWSHEGQV-UHFFFAOYSA-N 0 0 320.304 3.840 50 0 DHAARN C[C@@H](Sc1cccc[n+]1[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036806354 563904602 /nfs/dbraw/zinc/90/46/02/563904602.db2.gz ZGJCNMVAQZZCHM-QLFDAEIZSA-N 0 0 317.454 3.586 50 0 DHAARN Cc1c(O)ccc2c(CNc3ccc4c(c3)CCC4)cc(=O)oc12 ZINC000007242596 563904788 /nfs/dbraw/zinc/90/47/88/563904788.db2.gz JHOQYUZRZCGFEX-UHFFFAOYSA-N 0 0 321.376 3.908 50 0 DHAARN CCOc1ccccc1C(=O)OCc1ccc(-n2cccn2)cc1 ZINC000007254421 563904966 /nfs/dbraw/zinc/90/49/66/563904966.db2.gz SZFBKIQHENDTRS-UHFFFAOYSA-N 0 0 322.364 3.628 50 0 DHAARN CCc1cccc(NC(=O)c2cncn2-c2ccc(F)cc2)c1 ZINC000007281807 563905059 /nfs/dbraw/zinc/90/50/59/563905059.db2.gz HVEQKSUGOJIXFM-UHFFFAOYSA-N 0 0 309.344 3.826 50 0 DHAARN C[C@H](NS(=O)(=O)c1ccccc1F)c1cccc(Cl)c1 ZINC000007305235 563905159 /nfs/dbraw/zinc/90/51/59/563905159.db2.gz NVCMFKKFVVHGTG-JTQLQIEISA-N 0 0 313.781 3.519 50 0 DHAARN c1coc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)c1 ZINC000007341693 563905337 /nfs/dbraw/zinc/90/53/37/563905337.db2.gz PAJUAAWNRYWKKB-UHFFFAOYSA-N 0 0 323.396 3.784 50 0 DHAARN CSCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000037123923 563906282 /nfs/dbraw/zinc/90/62/82/563906282.db2.gz MIICCNVWEDYTFQ-LLVKDONJSA-N 0 0 301.864 3.746 50 0 DHAARN Cc1ccc(C(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)cc1 ZINC000007433528 563906401 /nfs/dbraw/zinc/90/64/01/563906401.db2.gz NXFOYBHBFRETBQ-ZDUSSCGKSA-N 0 0 308.337 3.695 50 0 DHAARN CCc1cc(NC(=O)Cc2c(C)noc2C)c2ccccc2n1 ZINC000170596750 563907182 /nfs/dbraw/zinc/90/71/82/563907182.db2.gz HIUOEQLGUCCBLU-UHFFFAOYSA-N 0 0 309.369 3.583 50 0 DHAARN C[S@@](=O)Cc1cc(NCc2ccc(O)cc2)ccc1Cl ZINC000170604383 563907333 /nfs/dbraw/zinc/90/73/33/563907333.db2.gz RBINZEAHVNWKCL-HXUWFJFHSA-N 0 0 309.818 3.536 50 0 DHAARN C[C@@H](c1ccccc1)[C@](C)(O)c1nc(COc2ccccc2)no1 ZINC000170606711 563907763 /nfs/dbraw/zinc/90/77/63/563907763.db2.gz LFYXLYHMWDYQNY-LIRRHRJNSA-N 0 0 324.380 3.660 50 0 DHAARN CN(Cc1nccs1)c1ncc(Cl)cc1Br ZINC000170606599 563907769 /nfs/dbraw/zinc/90/77/69/563907769.db2.gz PBFGSHFDZPDLDS-UHFFFAOYSA-N 0 0 318.627 3.590 50 0 DHAARN COCc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000007525614 563908155 /nfs/dbraw/zinc/90/81/55/563908155.db2.gz VSANIMZGBBVBFE-NSHDSACASA-N 0 0 305.324 3.602 50 0 DHAARN CCC[C@H](C(=O)Nc1ccc(-n2cnnc2)cc1)c1ccccc1 ZINC000170614386 563908283 /nfs/dbraw/zinc/90/82/83/563908283.db2.gz LAGOVXUNTHMDBX-SFHVURJKSA-N 0 0 320.396 3.790 50 0 DHAARN S=C(NCc1ccco1)Nc1ccc(-c2nccs2)cc1 ZINC000007557455 563908628 /nfs/dbraw/zinc/90/86/28/563908628.db2.gz RKQMEEDOARXOHZ-UHFFFAOYSA-N 0 0 315.423 3.890 50 0 DHAARN Cc1c2cc(C)ccc2oc1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000071195577 563909031 /nfs/dbraw/zinc/90/90/31/563909031.db2.gz DFTBQHSBXFTWPZ-OAHLLOKOSA-N 0 0 323.396 3.591 50 0 DHAARN COc1ccc(NC2=NC(=O)SC2=Cc2cccnc2)cc1 ZINC000071285121 563909090 /nfs/dbraw/zinc/90/90/90/563909090.db2.gz VXRUAMPYSNWHAH-ZROIWOOFSA-N 0 0 311.366 3.809 50 0 DHAARN COc1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)c(F)c1 ZINC000071823500 563909429 /nfs/dbraw/zinc/90/94/29/563909429.db2.gz CAABKBPORUWKES-LLVKDONJSA-N 0 0 303.333 3.793 50 0 DHAARN Cc1cc(C[S@@](=O)Cc2csc(-c3cccs3)n2)on1 ZINC000071859144 563909473 /nfs/dbraw/zinc/90/94/73/563909473.db2.gz CNYDNSSRYYHUIT-HXUWFJFHSA-N 0 0 324.452 3.617 50 0 DHAARN Cc1ccccc1-c1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000013322579 563909519 /nfs/dbraw/zinc/90/95/19/563909519.db2.gz DWKWOUORGYJLMO-OKILXGFUSA-N 0 0 302.443 3.728 50 0 DHAARN C[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000013329845 563909627 /nfs/dbraw/zinc/90/96/27/563909627.db2.gz UZKNTQHUVLFRCT-ONGXEEELSA-N 0 0 317.216 3.533 50 0 DHAARN Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1C[C@H](C)O ZINC000675030602 563909679 /nfs/dbraw/zinc/90/96/79/563909679.db2.gz ACJJCESCDWZALG-ZDUSSCGKSA-N 0 0 319.408 3.798 50 0 DHAARN CN(CCCNC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000014219522 563910384 /nfs/dbraw/zinc/91/03/84/563910384.db2.gz DOVOWTMYXRJHFK-UHFFFAOYSA-N 0 0 320.795 3.735 50 0 DHAARN Cc1cccc2c1N(C(=O)C[C@@H]1OCCc3ccccc31)CC2 ZINC000089688971 563910955 /nfs/dbraw/zinc/91/09/55/563910955.db2.gz OBGDYFLRTKHRBM-SFHVURJKSA-N 0 0 307.393 3.588 50 0 DHAARN Cn1cc(Nc2cccc(C(=O)OCc3ccccc3)c2)cn1 ZINC000089756561 563911018 /nfs/dbraw/zinc/91/10/18/563911018.db2.gz PNQKSUGUOCSTFF-UHFFFAOYSA-N 0 0 307.353 3.521 50 0 DHAARN Fc1ccc(NCc2cscn2)c(OCC(F)(F)F)c1 ZINC000089793403 563911244 /nfs/dbraw/zinc/91/12/44/563911244.db2.gz BSHOEFVTHJCFHG-UHFFFAOYSA-N 0 0 306.284 3.835 50 0 DHAARN O=C(CSc1ncccc1Cl)NCCC1CCCCC1 ZINC000089774277 563911264 /nfs/dbraw/zinc/91/12/64/563911264.db2.gz IXOXKCJKHZSUNM-UHFFFAOYSA-N 0 0 312.866 3.914 50 0 DHAARN Fc1ccccc1CN(Cc1nccn1C(F)F)C1CCC1 ZINC000089813916 563911467 /nfs/dbraw/zinc/91/14/67/563911467.db2.gz SKOSDGNKMULBAS-UHFFFAOYSA-N 0 0 309.335 3.972 50 0 DHAARN COc1ccccc1[C@H](NC(=O)c1ccoc1C)c1ccccn1 ZINC000089848730 563911498 /nfs/dbraw/zinc/91/14/98/563911498.db2.gz IGUBOAOJNTUGMO-SFHVURJKSA-N 0 0 322.364 3.511 50 0 DHAARN CCc1nc([C@@H]2CCCN2Cc2cc(C)nc3ccccc23)no1 ZINC000076018020 563911651 /nfs/dbraw/zinc/91/16/51/563911651.db2.gz NQATXBBFVVDAOY-KRWDZBQOSA-N 0 0 322.412 3.826 50 0 DHAARN CC(C)CSCCCN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000089856438 563911761 /nfs/dbraw/zinc/91/17/61/563911761.db2.gz SBEQILUXQRVZLA-KRWDZBQOSA-N 0 0 311.466 3.978 50 0 DHAARN Fc1ccc([C@H]2CCCN2Cc2nc(-c3ccccn3)no2)cc1 ZINC000089884660 563911893 /nfs/dbraw/zinc/91/18/93/563911893.db2.gz OQDNUAFHHHXOCE-MRXNPFEDSA-N 0 0 324.359 3.608 50 0 DHAARN CC(C)n1ccc(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000089894085 563911987 /nfs/dbraw/zinc/91/19/87/563911987.db2.gz BCMXVWUCXFGYQT-QGZVFWFLSA-N 0 0 311.429 3.908 50 0 DHAARN CC(C)c1nc(CNc2ccc(F)c(C(=O)N(C)C)c2)cs1 ZINC000089893563 563912020 /nfs/dbraw/zinc/91/20/20/563912020.db2.gz FGLQOQXRZIFJFR-UHFFFAOYSA-N 0 0 321.421 3.720 50 0 DHAARN COc1ccc(C(=O)N[C@@H](C)c2ccco2)cc1-c1ccccn1 ZINC000089910119 563912168 /nfs/dbraw/zinc/91/21/68/563912168.db2.gz JUEPTHXLPDNBAZ-ZDUSSCGKSA-N 0 0 322.364 3.841 50 0 DHAARN COC(=O)c1csc(NC(=O)N(C)[C@@H](C)c2cccs2)c1 ZINC000089910136 563912180 /nfs/dbraw/zinc/91/21/80/563912180.db2.gz LCMYDPXBCXYJAA-VIFPVBQESA-N 0 0 324.427 3.821 50 0 DHAARN Cc1cc(COc2ccc(N(C)C(N)=O)cc2)c2ccccc2n1 ZINC000076062555 563912255 /nfs/dbraw/zinc/91/22/55/563912255.db2.gz PDVKITLLUXCNHV-UHFFFAOYSA-N 0 0 321.380 3.637 50 0 DHAARN C[C@@H](CNC(=O)N(C)[C@H](C)c1ccncc1)Cc1cccs1 ZINC000076088247 563912343 /nfs/dbraw/zinc/91/23/43/563912343.db2.gz BEEKKKVSADWIBL-ZIAGYGMSSA-N 0 0 317.458 3.724 50 0 DHAARN C[C@@H]1CCc2sc(C(=O)O[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc2C1 ZINC000170634944 563912714 /nfs/dbraw/zinc/91/27/14/563912714.db2.gz UJIDQFKCAPSQCE-CAAGUOMGSA-N 0 0 320.454 3.843 50 0 DHAARN Cc1nc2ccccc2n1S(=O)(=O)c1ccc(C)c(C)c1C ZINC000000299111 563912721 /nfs/dbraw/zinc/91/27/21/563912721.db2.gz JWNPBTVQOKCACC-UHFFFAOYSA-N 0 0 314.410 3.507 50 0 DHAARN CC(C)CC[C@]1(CCN2C(=O)CCC2=O)CCO[C@H](C(C)C)C1 ZINC000002111816 563914245 /nfs/dbraw/zinc/91/42/45/563914245.db2.gz ANCPIMCKINDVSO-LPHOPBHVSA-N 0 0 323.477 3.783 50 0 biogenic DHAARN COc1ccc(N=c2scc(C)n2Cc2ccccn2)cc1 ZINC000252475055 563915704 /nfs/dbraw/zinc/91/57/04/563915704.db2.gz RRXKTYDPWFGPIW-UHFFFAOYSA-N 0 0 311.410 3.542 50 0 DHAARN Cc1ccoc1C(=O)Nc1nn(-c2ccc(Cl)cc2)cc1C ZINC000252479661 563915782 /nfs/dbraw/zinc/91/57/82/563915782.db2.gz BJLTZLOLHVBWCG-UHFFFAOYSA-N 0 0 315.760 3.988 50 0 DHAARN CCc1nc(C)c(NC(=O)c2ccncc2C(F)(F)F)s1 ZINC000252484059 563915874 /nfs/dbraw/zinc/91/58/74/563915874.db2.gz FNDGHIVQVHQJBA-UHFFFAOYSA-N 0 0 315.320 3.680 50 0 DHAARN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC000252486245 563915949 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O=C(Nc1ccn(-c2ccccc2)n1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067033828 563948503 /nfs/dbraw/zinc/94/85/03/563948503.db2.gz JJIPEJPFZHKJLB-SJORKVTESA-N 0 0 321.355 3.754 50 0 DHAARN O=C(NCc1cccs1)c1ccc(COc2ccccc2)o1 ZINC000008428213 563948598 /nfs/dbraw/zinc/94/85/98/563948598.db2.gz JKZCLUAITIMZPU-UHFFFAOYSA-N 0 0 313.378 3.850 50 0 DHAARN O=C(COc1ccc2c(c1)CCC2)Nc1ccc(F)cc1Cl ZINC000008514973 563948781 /nfs/dbraw/zinc/94/87/81/563948781.db2.gz IZSJODJTRYKHRZ-UHFFFAOYSA-N 0 0 319.763 3.985 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)OCc1nc2ccccc2o1 ZINC000008537619 563949026 /nfs/dbraw/zinc/94/90/26/563949026.db2.gz HLGPFXAUELELJO-UHFFFAOYSA-N 0 0 320.348 3.985 50 0 DHAARN CC(C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000008559110 563949180 /nfs/dbraw/zinc/94/91/80/563949180.db2.gz TWUKGXGCLCMKHD-UHFFFAOYSA-N 0 0 307.353 3.998 50 0 DHAARN Cc1cc(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2[nH]1 ZINC000008587469 563949288 /nfs/dbraw/zinc/94/92/88/563949288.db2.gz KWLFPCIFAYJSCG-UHFFFAOYSA-N 0 0 306.365 3.706 50 0 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CC(=O)N[C@H](CC(=O)Nc1ccc(C)cc1C)c1cccs1 ZINC000008751388 563950529 /nfs/dbraw/zinc/95/05/29/563950529.db2.gz PEJYNACMCJRBDZ-OAHLLOKOSA-N 0 0 316.426 3.571 50 0 DHAARN Clc1ccc(Cl)c(OCc2nnnn2-c2ccccc2)c1 ZINC000008768758 563950750 /nfs/dbraw/zinc/95/07/50/563950750.db2.gz NPWOXSDVPXUUNA-UHFFFAOYSA-N 0 0 321.167 3.548 50 0 DHAARN c1ccc2c(c1)sc1nnc(SCCc3ccncc3)n21 ZINC000008780303 563950760 /nfs/dbraw/zinc/95/07/60/563950760.db2.gz JCNCHTKMZNCZHQ-UHFFFAOYSA-N 0 0 312.423 3.674 50 0 DHAARN C[C@H](c1ccccn1)N(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000068000358 563950937 /nfs/dbraw/zinc/95/09/37/563950937.db2.gz FWNDNPPXTAHWCG-CQSZACIVSA-N 0 0 310.397 3.704 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 ZINC000008798655 563951001 /nfs/dbraw/zinc/95/10/01/563951001.db2.gz CRHBJTHLNIVRRN-UHFFFAOYSA-N 0 0 324.336 3.565 50 0 DHAARN CC(=O)c1sc(NC(=O)[C@H]2C[C@H]2C)nc1-c1ccccc1 ZINC000008852505 563951009 /nfs/dbraw/zinc/95/10/09/563951009.db2.gz CFYRWCDKEXWUSO-SKDRFNHKSA-N 0 0 300.383 3.607 50 0 DHAARN 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563953435 /nfs/dbraw/zinc/95/34/35/563953435.db2.gz FZNSDLIPHBTILD-UHFFFAOYSA-N 0 0 319.773 3.728 50 0 DHAARN CCn1ccc2cc(NC(=O)c3c(C)nn(CC)c3C)ccc21 ZINC000069559469 563953436 /nfs/dbraw/zinc/95/34/36/563953436.db2.gz RORMOFFFRBMIOZ-UHFFFAOYSA-N 0 0 310.401 3.747 50 0 DHAARN Cc1cc(-c2nc(-c3cccnc3Oc3ccccc3)no2)n[nH]1 ZINC000069561706 563953545 /nfs/dbraw/zinc/95/35/45/563953545.db2.gz LOMSHHKSDQHXQW-UHFFFAOYSA-N 0 0 319.324 3.622 50 0 DHAARN CC(C)CCN1c2ccc(NC(=O)C(C)C)cc2CCC1=O ZINC000009164845 563953722 /nfs/dbraw/zinc/95/37/22/563953722.db2.gz CXAGUTPRWNBHIG-UHFFFAOYSA-N 0 0 302.418 3.606 50 0 DHAARN Cc1noc([C@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)n1 ZINC000069593737 563953761 /nfs/dbraw/zinc/95/37/61/563953761.db2.gz KPDRBKWGRLBQEM-VIFPVBQESA-N 0 0 316.792 3.632 50 0 DHAARN Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H](C)c1ccccn1 ZINC000069582855 563953810 /nfs/dbraw/zinc/95/38/10/563953810.db2.gz NMEHLLXLVIQRKL-HNNXBMFYSA-N 0 0 322.412 3.767 50 0 DHAARN O=C(CCc1ccccn1)N1CCCC[C@H]1Cc1ccccc1 ZINC000069596710 563953812 /nfs/dbraw/zinc/95/38/12/563953812.db2.gz CBHKZVWEHMHQLL-IBGZPJMESA-N 0 0 308.425 3.638 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)C[C@H]1OCCc2sccc21 ZINC000069617470 563953825 /nfs/dbraw/zinc/95/38/25/563953825.db2.gz ZGTNEWGMQNUAIB-XJKSGUPXSA-N 0 0 315.438 3.972 50 0 DHAARN CN(Cc1ccccn1)C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000069657480 563953922 /nfs/dbraw/zinc/95/39/22/563953922.db2.gz FDKADGBQGUSZMJ-LJQANCHMSA-N 0 0 324.424 3.741 50 0 DHAARN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(F)cc1 ZINC000069737006 563954281 /nfs/dbraw/zinc/95/42/81/563954281.db2.gz FZKHYVBBQLGGNI-UHFFFAOYSA-N 0 0 306.724 3.690 50 0 DHAARN CCOc1ccccc1/C=C1/SC(=O)N(CC(C)C)C1=O ZINC000009236588 563954302 /nfs/dbraw/zinc/95/43/02/563954302.db2.gz INPJMLRQSOLPRK-NTEUORMPSA-N 0 0 305.399 3.778 50 0 DHAARN CC(C)c1noc(-c2ccc(NC(=O)CC(F)(F)F)cc2)n1 ZINC000069704656 563954309 /nfs/dbraw/zinc/95/43/09/563954309.db2.gz SNTCCMHEFCUODQ-UHFFFAOYSA-N 0 0 313.279 3.751 50 0 DHAARN CCOc1cccc([C@H](C)NC(=O)Cc2noc3ccccc23)c1 ZINC000069775722 563954602 /nfs/dbraw/zinc/95/46/02/563954602.db2.gz DGBWAZNSIPYESH-ZDUSSCGKSA-N 0 0 324.380 3.646 50 0 DHAARN Clc1ccc(C2(NCc3noc(C4CC4)n3)CCC2)cc1 ZINC000069809148 563954710 /nfs/dbraw/zinc/95/47/10/563954710.db2.gz NAJOYYKOJQQVEJ-UHFFFAOYSA-N 0 0 303.793 3.769 50 0 DHAARN O=C(Nc1ccnc(Cl)c1)c1ccc(Cl)nc1Cl ZINC000009302937 563954744 /nfs/dbraw/zinc/95/47/44/563954744.db2.gz OIJCMXHBQWXUGK-UHFFFAOYSA-N 0 0 302.548 3.689 50 0 DHAARN CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000069871310 563954899 /nfs/dbraw/zinc/95/48/99/563954899.db2.gz WDPRXEOEQCESBJ-CVEARBPZSA-N 0 0 301.434 3.526 50 0 DHAARN CC(C)CSc1nnc(SCC(=O)c2ccc[nH]2)s1 ZINC000009366696 563955664 /nfs/dbraw/zinc/95/56/64/563955664.db2.gz CHHSKEXMODLBNY-UHFFFAOYSA-N 0 0 313.473 3.589 50 0 DHAARN COc1ccc2cc([C@@H](C)C(=O)NCc3ccncc3)ccc2c1 ZINC000009368904 563955682 /nfs/dbraw/zinc/95/56/82/563955682.db2.gz RXDVETYQBWUFJY-CQSZACIVSA-N 0 0 320.392 3.663 50 0 DHAARN 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O=C(/C=C\c1ccsc1)OCc1ccc(-n2cccn2)cc1 ZINC000096891860 185390538 /nfs/dbraw/zinc/39/05/38/185390538.db2.gz GRAJZZTVBZCUDJ-DAXSKMNVSA-N 0 0 310.378 3.690 50 0 DHAARN CC[C@@H](COC)NC(=O)Nc1ccc2c(cc(C)n2CC)c1 ZINC000299798190 529518646 /nfs/dbraw/zinc/51/86/46/529518646.db2.gz QKFKUHNNUQUKQI-AWEZNQCLSA-N 0 0 303.406 3.516 50 0 DHAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2cc3ccccc3o2)no1 ZINC000088337842 185246479 /nfs/dbraw/zinc/24/64/79/185246479.db2.gz GUNOMEBTHNPLRW-SNVBAGLBSA-N 0 0 323.308 3.567 50 0 DHAARN Cc1cc(CC(=O)N[C@@H](c2ccccc2F)C2CCCC2)no1 ZINC000088251097 185243873 /nfs/dbraw/zinc/24/38/73/185243873.db2.gz GAHJCLPNLFWQSI-GOSISDBHSA-N 0 0 316.376 3.712 50 0 DHAARN CCCOc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000089960318 185271871 /nfs/dbraw/zinc/27/18/71/185271871.db2.gz HVQDECJEIRKSFV-JTQLQIEISA-N 0 0 322.796 3.735 50 0 DHAARN CCCn1nc(C)c(C(=O)Nc2ccc(SCC)nc2)c1C ZINC000089960632 185271978 /nfs/dbraw/zinc/27/19/78/185271978.db2.gz FNZJYKVKPFORTJ-UHFFFAOYSA-N 0 0 318.446 3.669 50 0 DHAARN Cc1ccc(OCCN2c3ccccc3NC[C@@H](C)C2=O)cc1C ZINC000082087117 192354279 /nfs/dbraw/zinc/35/42/79/192354279.db2.gz MILDQDQENOAQPF-MRXNPFEDSA-N 0 0 324.424 3.777 50 0 DHAARN C[C@@H]1NC(=O)O[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000090733400 185311678 /nfs/dbraw/zinc/31/16/78/185311678.db2.gz OHIDCVTXTYVGRO-SSDLBLMSSA-N 0 0 313.197 3.894 50 0 DHAARN COc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000359355 190613422 /nfs/dbraw/zinc/61/34/22/190613422.db2.gz KYYVYHCCVUHTEP-UHFFFAOYSA-N 0 0 311.259 3.846 50 0 DHAARN CCc1c(C)c2ccc(O[C@@H]3CCCCC3=O)cc2oc1=O ZINC000000489639 190614839 /nfs/dbraw/zinc/61/48/39/190614839.db2.gz IZNVGPOGWHWRJT-MRXNPFEDSA-N 0 0 300.354 3.554 50 0 biogenic DHAARN CCCCOC(=O)Nc1ccc(I)cc1 ZINC000001770673 190615926 /nfs/dbraw/zinc/61/59/26/190615926.db2.gz QUUQFRIUSSXXEF-UHFFFAOYSA-N 0 0 319.142 3.640 50 0 DHAARN CC[C@H](NC(=O)CCc1scnc1C)c1nc(C)c(C)s1 ZINC000082120075 192358271 /nfs/dbraw/zinc/35/82/71/192358271.db2.gz HPIJCLWOIJKOEB-LBPRGKRZSA-N 0 0 323.487 3.725 50 0 DHAARN CCOc1ccccc1N(CC)C(=O)c1noc2c1CCCC2 ZINC000007000317 190627726 /nfs/dbraw/zinc/62/77/26/190627726.db2.gz NSLPKHOBGHHAJG-UHFFFAOYSA-N 0 0 314.385 3.619 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@H](C)c3ccccc3)c2c1 ZINC000006866282 190625945 /nfs/dbraw/zinc/62/59/45/190625945.db2.gz ZMKWECBUDQEXEH-CYBMUJFWSA-N 0 0 309.369 3.697 50 0 DHAARN CC(C)(C)[C@@H]1CCc2c(sc3nc4n(c(=O)c23)CCC4)C1 ZINC000007996745 190629714 /nfs/dbraw/zinc/62/97/14/190629714.db2.gz FADJAHKFFXSUTF-SNVBAGLBSA-N 0 0 302.443 3.555 50 0 DHAARN CCn1c(SCc2ccccn2)nnc1-c1cccc(C)c1 ZINC000096992370 185395342 /nfs/dbraw/zinc/39/53/42/185395342.db2.gz DZCPHHQYGIAGTL-UHFFFAOYSA-N 0 0 310.426 3.961 50 0 DHAARN Cc1nnc([C@H](C)S(=O)(=O)c2cc(C(C)(C)C)ccc2C)o1 ZINC000095393315 185352221 /nfs/dbraw/zinc/35/22/21/185352221.db2.gz LTZFLIJCMIBXKK-NSHDSACASA-N 0 0 322.430 3.519 50 0 DHAARN CSc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)o1 ZINC000095395600 185352595 /nfs/dbraw/zinc/35/25/95/185352595.db2.gz MBANEPOTHZAASF-QGZVFWFLSA-N 0 0 324.405 3.916 50 0 DHAARN c1csc(-c2nnc(CN3CCCc4sccc4C3)o2)c1 ZINC000095398400 185353558 /nfs/dbraw/zinc/35/35/58/185353558.db2.gz AUKWDPDCXWGTMG-UHFFFAOYSA-N 0 0 317.439 3.808 50 0 DHAARN CCN(C(=O)c1ccc(Cl)cn1)[C@H](c1cccnc1)C(C)C ZINC000095398771 185353855 /nfs/dbraw/zinc/35/38/55/185353855.db2.gz XTHQEVJZYOEYRI-INIZCTEOSA-N 0 0 317.820 3.989 50 0 DHAARN CCO[C@@H](C)c1nc(CSc2ccc(Cl)nn2)cs1 ZINC000095401572 185354531 /nfs/dbraw/zinc/35/45/31/185354531.db2.gz ONVAUBIUXSFMPH-QMMMGPOBSA-N 0 0 315.851 3.976 50 0 DHAARN Cc1csc([C@H](NCc2ccccc2N(C)C)C2CC2)n1 ZINC000095403013 185354951 /nfs/dbraw/zinc/35/49/51/185354951.db2.gz PCLCPOPNXISMOW-MRXNPFEDSA-N 0 0 301.459 3.758 50 0 DHAARN CCNC(=O)COc1cccc(N[C@H](C)c2cccc(F)c2)c1 ZINC000095404395 185355420 /nfs/dbraw/zinc/35/54/20/185355420.db2.gz MUOCIXZKELDYGE-CYBMUJFWSA-N 0 0 316.376 3.514 50 0 DHAARN O=C(Nc1ccc(CNc2ccccc2)cc1)[C@@H]1CCCOC1 ZINC000095407008 185356112 /nfs/dbraw/zinc/35/61/12/185356112.db2.gz YVIGKYXERGIRIY-MRXNPFEDSA-N 0 0 310.397 3.664 50 0 DHAARN CC(=O)c1ccc(NC(=S)N(C)CCc2ccccc2)cc1 ZINC000013577430 190637700 /nfs/dbraw/zinc/63/77/00/190637700.db2.gz BSQVAUVLNCQQIE-UHFFFAOYSA-N 0 0 312.438 3.761 50 0 DHAARN C[C@@H](CNC(=O)C1(Cc2ccccc2)CCC1)c1ccncc1 ZINC000095411258 185357493 /nfs/dbraw/zinc/35/74/93/185357493.db2.gz QQLPYNWHSGGNSU-INIZCTEOSA-N 0 0 308.425 3.714 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N[C@H]2C=CCCC2)c(Cl)c1 ZINC000095411751 185357615 /nfs/dbraw/zinc/35/76/15/185357615.db2.gz JVSUTRGTEOOFTQ-NSHDSACASA-N 0 0 307.781 3.529 50 0 DHAARN Cc1nc(CN(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)no1 ZINC000095412469 185357769 /nfs/dbraw/zinc/35/77/69/185357769.db2.gz WJPKBTHDKYMGMI-GFCCVEGCSA-N 0 0 319.714 3.767 50 0 DHAARN Cc1ccccc1-c1nc(COc2cccc([C@H](C)O)c2)no1 ZINC000095414773 185358545 /nfs/dbraw/zinc/35/85/45/185358545.db2.gz HKNNSKHZRNGEFP-ZDUSSCGKSA-N 0 0 310.353 3.677 50 0 DHAARN Cc1ccc(C)c([C@H]2CCCN2c2cn[nH]c(=O)c2Cl)c1 ZINC000095416579 185358946 /nfs/dbraw/zinc/35/89/46/185358946.db2.gz RYJSTUOCBPHZBB-CYBMUJFWSA-N 0 0 303.793 3.794 50 0 DHAARN Cc1cc([C@H](NC(=O)N[C@H](C)CCCO)C(C)C)c(C)s1 ZINC000095410347 185357296 /nfs/dbraw/zinc/35/72/96/185357296.db2.gz STNBMPIRPXNPLI-IAQYHMDHSA-N 0 0 312.479 3.522 50 0 DHAARN CCCS(=O)(=O)Nc1cccc(NCc2ccc(C)o2)c1C ZINC000095428802 185362235 /nfs/dbraw/zinc/36/22/35/185362235.db2.gz XEBLAFDFPHJQSE-UHFFFAOYSA-N 0 0 322.430 3.660 50 0 DHAARN CCNc1ncc(C(=O)N(C)c2nc([C@H](C)CC)cs2)s1 ZINC000095429497 185362540 /nfs/dbraw/zinc/36/25/40/185362540.db2.gz XVAURUQYKYMBIL-SECBINFHSA-N 0 0 324.475 3.822 50 0 DHAARN Cc1ccc(NCc2cc(F)c(F)c(F)c2)cc1C(=O)N(C)C ZINC000095429325 185362628 /nfs/dbraw/zinc/36/26/28/185362628.db2.gz SCSRNTYPTVOPFQ-UHFFFAOYSA-N 0 0 322.330 3.726 50 0 DHAARN O=S(=O)(C/C=C\c1ccccc1)Cc1cccc(Cl)c1 ZINC000097002958 185396392 /nfs/dbraw/zinc/39/63/92/185396392.db2.gz NXRUJRVAWGYTEV-UITAMQMPSA-N 0 0 306.814 3.968 50 0 DHAARN Cc1ccc(CN2CCOCC2)cc1NCc1ccsc1 ZINC000095429240 185362701 /nfs/dbraw/zinc/36/27/01/185362701.db2.gz SVBGVHBESDQVMA-UHFFFAOYSA-N 0 0 302.443 3.501 50 0 DHAARN CCc1nc(CN[C@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000095422162 185360792 /nfs/dbraw/zinc/36/07/92/185360792.db2.gz WVUIOJNRRWLASF-LLVKDONJSA-N 0 0 307.438 3.761 50 0 DHAARN Cc1[nH]nc(C(F)F)c1NC(=O)c1ncoc1-c1cccs1 ZINC000095456725 185370152 /nfs/dbraw/zinc/37/01/52/185370152.db2.gz LQGQGHLNWLZOOK-UHFFFAOYSA-N 0 0 324.312 3.625 50 0 DHAARN CSc1ccccc1NC(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000095463317 185371133 /nfs/dbraw/zinc/37/11/33/185371133.db2.gz PTQWHRSQFFOOOT-ZDUSSCGKSA-N 0 0 322.474 3.719 50 0 DHAARN CC(C)n1ccc2cc(C(=O)NCCc3nccs3)ccc21 ZINC000095472280 185372562 /nfs/dbraw/zinc/37/25/62/185372562.db2.gz QAHKRONXBAEDKR-UHFFFAOYSA-N 0 0 313.426 3.651 50 0 DHAARN Cc1noc2nc(C(C)C)cc(C(=O)NC(C3CC3)C3CC3)c12 ZINC000097038703 185401401 /nfs/dbraw/zinc/40/14/01/185401401.db2.gz ULBXSMNISHNCSV-UHFFFAOYSA-N 0 0 313.401 3.573 50 0 DHAARN CCOc1cccc([C@@H]2CC(c3cccs3)=NN2C(C)=O)c1 ZINC000097105891 185410606 /nfs/dbraw/zinc/41/06/06/185410606.db2.gz YBXMZQZBESCRIV-INIZCTEOSA-N 0 0 314.410 3.844 50 0 DHAARN c1ccc2c(c1)nc(-c1ccncc1)nc2N1CCCSCC1 ZINC000097159071 185416972 /nfs/dbraw/zinc/41/69/72/185416972.db2.gz AFOCATRSQUQCNA-UHFFFAOYSA-N 0 0 322.437 3.635 50 0 DHAARN Cc1ccc(NC(=O)C2CCCCC2)cc1NC(=O)C1CC1 ZINC000030831015 190656975 /nfs/dbraw/zinc/65/69/75/190656975.db2.gz YBHYOWIIAMFFBD-UHFFFAOYSA-N 0 0 300.402 3.862 50 0 DHAARN O=C(NC[C@@H]1CC[C@H](O)C1)Nc1ccccc1-c1cccs1 ZINC000170089606 197769308 /nfs/dbraw/zinc/76/93/08/197769308.db2.gz LYSPHFAVMHNIQA-OLZOCXBDSA-N 0 0 316.426 3.698 50 0 DHAARN COc1ccc(CN(C)C(=O)N[C@@H](C)Cc2ccsc2)cc1 ZINC000050167801 190679447 /nfs/dbraw/zinc/67/94/47/190679447.db2.gz GGPFSQXPFYNEJU-ZDUSSCGKSA-N 0 0 318.442 3.529 50 0 DHAARN Cc1nc(C2(NC(=O)C3=CCCCCC3)CCCCCC2)no1 ZINC000170598959 197783933 /nfs/dbraw/zinc/78/39/33/197783933.db2.gz GMAGBWVNRGJLJE-UHFFFAOYSA-N 0 0 317.433 3.934 50 0 DHAARN CC[C@H]1Cn2c(C(=O)N3CCCCCC3)cc3cccc(c32)O1 ZINC000064657848 190703363 /nfs/dbraw/zinc/70/33/63/190703363.db2.gz ABCBJZAGKBPLCG-HNNXBMFYSA-N 0 0 312.413 3.829 50 0 DHAARN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1cccnc1 ZINC000108354135 185507617 /nfs/dbraw/zinc/50/76/17/185507617.db2.gz SYJCPUSUXBUERJ-VHDGCEQUSA-N 0 0 307.463 3.506 50 0 DHAARN CCN(CC1CC1)C(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000170625849 197794899 /nfs/dbraw/zinc/79/48/99/197794899.db2.gz QIYXLKZCNMJDMD-GOSISDBHSA-N 0 0 301.430 3.945 50 0 DHAARN CC1(C)[C@H](NC(=O)Nc2cccc(C(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000230201902 201871069 /nfs/dbraw/zinc/87/10/69/201871069.db2.gz HWYZIGKQLZHRMI-YNEHKIRRSA-N 0 0 310.344 3.559 50 0 DHAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000068237849 190756550 /nfs/dbraw/zinc/75/65/50/190756550.db2.gz HJACGSMWTFXTNR-INIZCTEOSA-N 0 0 321.380 3.864 50 0 DHAARN CN(C(=O)CC1=CCCCC1)c1ncccc1Br ZINC000183431375 199593350 /nfs/dbraw/zinc/59/33/50/199593350.db2.gz WVJFBNXAIYNBLR-UHFFFAOYSA-N 0 0 309.207 3.697 50 0 DHAARN C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1ccc[nH]1 ZINC000070006089 190848355 /nfs/dbraw/zinc/84/83/55/190848355.db2.gz IOOHMLXQJNNIQQ-OAHLLOKOSA-N 0 0 305.381 3.813 50 0 DHAARN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000080344719 192150077 /nfs/dbraw/zinc/15/00/77/192150077.db2.gz MALKJZNCFVSTNE-JKSUJKDBSA-N 0 0 323.392 3.817 50 0 DHAARN CC(C)C[C@H]1CCCCCN1C(=O)c1cnn2c1CCCC2 ZINC000127094902 185917613 /nfs/dbraw/zinc/91/76/13/185917613.db2.gz ANESCJKSEUJEAD-OAHLLOKOSA-N 0 0 303.450 3.650 50 0 DHAARN O=C(NC[C@@H](O)c1cccc2ccccc21)Nc1cccs1 ZINC000070636271 190909149 /nfs/dbraw/zinc/90/91/49/190909149.db2.gz NBHQZXXBYWUJJF-OAHLLOKOSA-N 0 0 312.394 3.756 50 0 DHAARN CC(C)c1cc(C(=O)NCCCn2ccc3ccccc32)on1 ZINC000071097405 190933290 /nfs/dbraw/zinc/93/32/90/190933290.db2.gz PMHLHXWSZBMJQI-UHFFFAOYSA-N 0 0 311.385 3.573 50 0 DHAARN Clc1cncc(Cl)c1-c1nccn1C[C@H]1CCCCO1 ZINC000071479378 190983949 /nfs/dbraw/zinc/98/39/49/190983949.db2.gz LWRCXGYRTIHWIB-SNVBAGLBSA-N 0 0 312.200 3.821 50 0 DHAARN COc1ccc(F)c(-c2nccc(CCC(F)(F)F)n2)c1 ZINC000071551664 190989980 /nfs/dbraw/zinc/98/99/80/190989980.db2.gz 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/nfs/dbraw/zinc/02/87/40/191028740.db2.gz LHTDUILMAFTVKB-UHFFFAOYSA-N 0 0 316.364 3.800 50 0 DHAARN COc1ccc([C@@H](O)[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767111 191028853 /nfs/dbraw/zinc/02/88/53/191028853.db2.gz UJJIBJRDEZHVNN-WOJBJXKFSA-N 0 0 305.377 3.956 50 0 DHAARN COc1cccc([C@H]2CCCCN(Cc3ccccc3)C2=O)c1 ZINC000071770927 191029853 /nfs/dbraw/zinc/02/98/53/191029853.db2.gz QZRSVTPGZZWPED-LJQANCHMSA-N 0 0 309.409 3.992 50 0 DHAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccccc1Cl ZINC000072117420 191038610 /nfs/dbraw/zinc/03/86/10/191038610.db2.gz QUZRUZTZASOWCX-NSHDSACASA-N 0 0 303.793 3.766 50 0 DHAARN C[C@@H](CN1CCN(Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000072121819 191040590 /nfs/dbraw/zinc/04/05/90/191040590.db2.gz NAHRPSYHARYKKD-LBPRGKRZSA-N 0 0 320.786 3.656 50 0 DHAARN Cc1nc(CN2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)cs1 ZINC000072123864 191041586 /nfs/dbraw/zinc/04/15/86/191041586.db2.gz VODCRCDRQJFBHQ-MRXNPFEDSA-N 0 0 312.442 3.973 50 0 DHAARN c1c[nH]c(-c2ccc(-c3nc(COc4ccccc4)no3)cn2)c1 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198030105 /nfs/dbraw/zinc/03/01/05/198030105.db2.gz IQSVPOIJVXLHOF-INIZCTEOSA-N 0 0 310.397 3.708 50 0 DHAARN COC[C@@H](C)c1nc(-c2ccc(OC)c(OC)c2)c(C)s1 ZINC000129526216 563521885 /nfs/dbraw/zinc/52/18/85/563521885.db2.gz XBVNVKNYYMZQLC-SNVBAGLBSA-N 0 0 307.415 3.886 50 0 DHAARN COc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000000031914 180671833 /nfs/dbraw/zinc/67/18/33/180671833.db2.gz GXGVUFQVVDRLQQ-UHFFFAOYSA-N 0 0 314.366 3.567 50 0 DHAARN Cc1nc2sccn2c1-c1csc(Nc2ccccn2)n1 ZINC000000034767 180672961 /nfs/dbraw/zinc/67/29/61/180672961.db2.gz WJNBKVMKGMALGS-UHFFFAOYSA-N 0 0 313.411 3.966 50 0 DHAARN CC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000000063633 180681242 /nfs/dbraw/zinc/68/12/42/180681242.db2.gz QDGCOKBVADLZHM-UHFFFAOYSA-N 0 0 317.772 3.869 50 0 DHAARN Cc1cc(=O)oc2cc(Oc3nncc4ccccc43)ccc12 ZINC000000038154 180674670 /nfs/dbraw/zinc/67/46/70/180674670.db2.gz YHEPJDFMQMXRRA-UHFFFAOYSA-N 0 0 304.305 3.837 50 0 DHAARN O=c1oc(-c2cccc(Br)c2)nc2ccccc21 ZINC000000070190 180683532 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/nfs/dbraw/zinc/72/17/61/180721761.db2.gz CKLRYYJYOBGGSF-UHFFFAOYSA-N 0 0 300.412 3.873 50 0 DHAARN COc1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000000267966 180743294 /nfs/dbraw/zinc/74/32/94/180743294.db2.gz BVPWBDQBJOPOOX-UHFFFAOYSA-N 0 0 322.147 3.803 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000000293785 180750589 /nfs/dbraw/zinc/75/05/89/180750589.db2.gz CGVQTRYITAULHI-UHFFFAOYSA-N 0 0 318.376 3.933 50 0 DHAARN O=C1c2ccccc2C(=O)N1CNc1ccc2ccccc2c1 ZINC000000274483 180745172 /nfs/dbraw/zinc/74/51/72/180745172.db2.gz RXAURTPZTJUKSI-UHFFFAOYSA-N 0 0 302.333 3.505 50 0 DHAARN Cc1cc(C)cc(C[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000000277710 180745982 /nfs/dbraw/zinc/74/59/82/180745982.db2.gz MGKSWKXEDSRJQU-HNNXBMFYSA-N 0 0 311.356 3.565 50 0 DHAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)c1ccco1 ZINC000000284132 180747718 /nfs/dbraw/zinc/74/77/18/180747718.db2.gz QUWHPOQIZGMSKP-UHFFFAOYSA-N 0 0 307.371 3.641 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)c3ccccc3Cl)ccc12 ZINC000000310157 180755742 /nfs/dbraw/zinc/75/57/42/180755742.db2.gz NKHRVJGWUVLTFP-UHFFFAOYSA-N 0 0 314.724 3.974 50 0 DHAARN COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1OC ZINC000000315350 180757128 /nfs/dbraw/zinc/75/71/28/180757128.db2.gz LKCYUTLSWVUUQZ-UHFFFAOYSA-N 0 0 312.321 3.911 50 0 biogenic DHAARN C[C@@H]1CCc2sc3ncnc(NCc4cccnc4)c3c2C1 ZINC000000306940 180754415 /nfs/dbraw/zinc/75/44/15/180754415.db2.gz HGXAWAVMMSTKPL-LLVKDONJSA-N 0 0 310.426 3.823 50 0 DHAARN Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C(C)C)cc1)C(=O)N2 ZINC000000316905 180757719 /nfs/dbraw/zinc/75/77/19/180757719.db2.gz BEOASMXADXLRGA-HXUWFJFHSA-N 0 0 323.392 3.531 50 0 DHAARN O=C1CN=C(c2ccccc2)c2oc3ccc(Cl)cc3c2N1 ZINC000000380817 180771608 /nfs/dbraw/zinc/77/16/08/180771608.db2.gz FSFWVZOYALOSMA-UHFFFAOYSA-N 0 0 310.740 3.876 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000000363269 180766870 /nfs/dbraw/zinc/76/68/70/180766870.db2.gz WYZHFPAJPLAEQT-UHFFFAOYSA-N 0 0 311.381 3.825 50 0 DHAARN Cc1ccc(OCC(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000000364713 180767669 /nfs/dbraw/zinc/76/76/69/180767669.db2.gz QXNYJCWTMUIEER-UHFFFAOYSA-N 0 0 312.394 3.931 50 0 DHAARN Nn1cnc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O ZINC000000390118 180775051 /nfs/dbraw/zinc/77/50/51/180775051.db2.gz JMGQMYDFAYVXLK-UHFFFAOYSA-N 0 0 319.389 3.506 50 0 DHAARN COc1ccc2cc3cc(C(=O)N4CCC[C@H](C)C4)oc3nc2c1 ZINC000000429131 180787851 /nfs/dbraw/zinc/78/78/51/180787851.db2.gz HQYNIIQMIIAZAY-LBPRGKRZSA-N 0 0 324.380 3.862 50 0 DHAARN CC(C)(C)Cc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000000461570 180798668 /nfs/dbraw/zinc/79/86/68/180798668.db2.gz LIFNJWOYZUMOJN-MDZDMXLPSA-N 0 0 301.415 3.779 50 0 DHAARN Cc1cc(C)n(S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000000469393 180800628 /nfs/dbraw/zinc/80/06/28/180800628.db2.gz KELHXXGAUHJFTH-UHFFFAOYSA-N 0 0 318.442 3.785 50 0 DHAARN Brc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000000447888 180794356 /nfs/dbraw/zinc/79/43/56/180794356.db2.gz PINDTGFURCXBGK-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccn2)cc1 ZINC000000450616 180795145 /nfs/dbraw/zinc/79/51/45/180795145.db2.gz AMEMVWPSHSVXID-UHFFFAOYSA-N 0 0 313.426 3.506 50 0 DHAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCCCCCC1 ZINC000000475676 180803209 /nfs/dbraw/zinc/80/32/09/180803209.db2.gz GDLZFCOVNATXDY-PKNBQFBNSA-N 0 0 301.386 3.658 50 0 DHAARN COc1ccc(C(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000000481569 180804759 /nfs/dbraw/zinc/80/47/59/180804759.db2.gz PWDBSXLUZSVYHG-UHFFFAOYSA-N 0 0 300.354 3.528 50 0 DHAARN COc1ccc([C@@]2(C)CC2(Br)Br)cc1 ZINC000000500227 180808343 /nfs/dbraw/zinc/80/83/43/180808343.db2.gz NWFRTSLXRDGBHY-SNVBAGLBSA-N 0 0 320.024 3.843 50 0 DHAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000000514229 180810494 /nfs/dbraw/zinc/81/04/94/180810494.db2.gz JSHUEQPPELRPCQ-UHFFFAOYSA-N 0 0 311.790 3.540 50 0 DHAARN O=c1oc2ccc(Cl)cc2cc1-c1ccc2c(c1)OCO2 ZINC000000517311 180811143 /nfs/dbraw/zinc/81/11/43/180811143.db2.gz YWTFKYJPTGAJNX-UHFFFAOYSA-N 0 0 300.697 3.842 50 0 biogenic DHAARN COc1cccc(-c2nn3c(nnc3-c3cccc(C)c3)s2)c1 ZINC000000526916 180813485 /nfs/dbraw/zinc/81/34/85/180813485.db2.gz VLHYGHWPJKQCGG-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)NC3CC3)cc12 ZINC000000538369 180816988 /nfs/dbraw/zinc/81/69/88/180816988.db2.gz YAQGWTTXIJOTIA-UHFFFAOYSA-N 0 0 311.410 3.596 50 0 DHAARN CCc1ccc(Nc2nc3ccccc3n3c(C)nnc23)cc1 ZINC000001060364 180844626 /nfs/dbraw/zinc/84/46/26/180844626.db2.gz VMMUORDVJQANNY-UHFFFAOYSA-N 0 0 303.369 3.892 50 0 DHAARN Cc1ccc(N[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001162648 180847993 /nfs/dbraw/zinc/84/79/93/180847993.db2.gz UFSXKNGGDZSKEP-OAHLLOKOSA-N 0 0 312.394 3.629 50 0 DHAARN CC(C)CNc1nnc(SCc2cccc(Cl)n2)s1 ZINC000173686670 198241106 /nfs/dbraw/zinc/24/11/06/198241106.db2.gz IVDRQTVDIFITTP-UHFFFAOYSA-N 0 0 314.867 3.947 50 0 DHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000001456708 180868045 /nfs/dbraw/zinc/86/80/45/180868045.db2.gz VQDCMAQZEHDHCB-KBPBESRZSA-N 0 0 303.427 3.506 50 0 DHAARN CCc1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000001427664 180865120 /nfs/dbraw/zinc/86/51/20/180865120.db2.gz LRGNEMWLDCCJRY-OAHLLOKOSA-N 0 0 320.344 3.796 50 0 DHAARN COCCOC(=O)c1c(C)oc2ccc(OCC=C(C)C)cc21 ZINC000002106854 180910085 /nfs/dbraw/zinc/91/00/85/180910085.db2.gz WHKZZGXHFMWEMQ-UHFFFAOYSA-N 0 0 318.369 3.889 50 0 biogenic DHAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000002086441 180909694 /nfs/dbraw/zinc/90/96/94/180909694.db2.gz BEEUOMXWBGZWOV-UHFFFAOYSA-N 0 0 301.342 3.797 50 0 DHAARN CCn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc21 ZINC000001870043 180899859 /nfs/dbraw/zinc/89/98/59/180899859.db2.gz KPZXSOSNVAFZSO-UHFFFAOYSA-N 0 0 310.401 3.897 50 0 DHAARN CC(C)OCCCNc1ncnc2ccc(Br)cc21 ZINC000001912229 180901478 /nfs/dbraw/zinc/90/14/78/180901478.db2.gz GMWTYHGIASTYFL-UHFFFAOYSA-N 0 0 324.222 3.619 50 0 DHAARN FC(F)(F)c1cccc(NC(=S)NN2CCCCCC2)c1 ZINC000002167910 180913557 /nfs/dbraw/zinc/91/35/57/180913557.db2.gz QMYDRQBPTKPRHP-UHFFFAOYSA-N 0 0 317.380 3.783 50 0 DHAARN CCCCNC(=O)Nc1ccc(C)c(NC(=O)NCCCC)c1 ZINC000002166574 180913589 /nfs/dbraw/zinc/91/35/89/180913589.db2.gz OCHXAFDXWVMHQC-UHFFFAOYSA-N 0 0 320.437 3.838 50 0 DHAARN C[C@H]1CCc2sc3ncn4nc(-c5cccnc5)nc4c3c2C1 ZINC000002202757 180915009 /nfs/dbraw/zinc/91/50/09/180915009.db2.gz ROPXPNVEMQGFEO-JTQLQIEISA-N 0 0 321.409 3.526 50 0 DHAARN COc1ccc(Cl)cc1NC(=S)Nc1cccc(C)n1 ZINC000002210243 180915345 /nfs/dbraw/zinc/91/53/45/180915345.db2.gz AQFTULLOMQWEHB-UHFFFAOYSA-N 0 0 307.806 3.861 50 0 DHAARN C[C@@H]1CCCc2sc3ncn4nc(-c5cccnc5)nc4c3c21 ZINC000002334413 180920017 /nfs/dbraw/zinc/92/00/17/180920017.db2.gz XNMDYBKZZDOMQO-SNVBAGLBSA-N 0 0 321.409 3.841 50 0 DHAARN CCCC[C@@H](C[C@@H](C)O)C1N=NC(=S)N1c1ccccc1 ZINC000002261967 180917105 /nfs/dbraw/zinc/91/71/05/180917105.db2.gz KLIVYBXUYVJJHP-OLZOCXBDSA-N 0 0 305.447 3.601 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccc3)c2c1 ZINC000002338091 180919884 /nfs/dbraw/zinc/91/98/84/180919884.db2.gz DCUJBDTYGVUEBM-CSKARUKUSA-N 0 0 304.393 3.848 50 0 DHAARN CCCSc1nc(=O)c2c3c(sc2[nH]1)CO[C@@](C)(CC)C3 ZINC000002350901 180920275 /nfs/dbraw/zinc/92/02/75/180920275.db2.gz LNCNQSTYNDEYNC-HNNXBMFYSA-N 0 0 324.471 3.728 50 0 DHAARN O=Cc1c(-c2cccc(Br)c2)nc2ccccn12 ZINC000002533956 180932557 /nfs/dbraw/zinc/93/25/57/180932557.db2.gz XYQQMAFXVDZRDQ-UHFFFAOYSA-N 0 0 301.143 3.576 50 0 DHAARN CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C)cc12 ZINC000002529483 180932605 /nfs/dbraw/zinc/93/26/05/180932605.db2.gz VRKWNICGQFPNBS-UHFFFAOYSA-N 0 0 313.378 3.717 50 0 DHAARN Cc1cc(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2[nH]1 ZINC000002497535 180927796 /nfs/dbraw/zinc/92/77/96/180927796.db2.gz BMPPFRFXVLJIEW-UHFFFAOYSA-N 0 0 301.349 3.665 50 0 DHAARN O=C(Cc1ccccc1)c1ccc(I)cc1 ZINC000002571688 180936430 /nfs/dbraw/zinc/93/64/30/180936430.db2.gz PSBAJVHUNMQCIG-UHFFFAOYSA-N 0 0 322.145 3.717 50 0 DHAARN CCCCc1ccc(NC(=O)CSc2nnc(C)s2)cc1 ZINC000002582778 180937996 /nfs/dbraw/zinc/93/79/96/180937996.db2.gz RDZRRYLEOROBOO-UHFFFAOYSA-N 0 0 321.471 3.920 50 0 DHAARN O=C(COc1ccc(Cl)c(Cl)c1)NCc1cccs1 ZINC000002632298 180941906 /nfs/dbraw/zinc/94/19/06/180941906.db2.gz XKOIWWCAQQAHNT-UHFFFAOYSA-N 0 0 316.209 3.750 50 0 DHAARN O=C(CSc1ccc(Cl)cc1)NCc1ccccc1F ZINC000002635628 180942200 /nfs/dbraw/zinc/94/22/00/180942200.db2.gz ZFFBVFAOAYSWFY-UHFFFAOYSA-N 0 0 309.793 3.888 50 0 DHAARN Cc1noc(C)c1COC(=O)CCc1nc2ccccc2s1 ZINC000002660649 180945303 /nfs/dbraw/zinc/94/53/03/180945303.db2.gz FSJOPIGMDBUYEB-UHFFFAOYSA-N 0 0 316.382 3.577 50 0 DHAARN Cc1cccc2sc(NC(=O)c3ccc(Cl)nc3)nc21 ZINC000002629096 180941089 /nfs/dbraw/zinc/94/10/89/180941089.db2.gz VQLRQFDQGYSLHS-UHFFFAOYSA-N 0 0 303.774 3.905 50 0 DHAARN O=C(NCCSc1c[nH]c2ccccc12)c1ccccc1F ZINC000002721007 180949423 /nfs/dbraw/zinc/94/94/23/180949423.db2.gz GBSTVBHBDYEUHI-UHFFFAOYSA-N 0 0 314.385 3.829 50 0 DHAARN COC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OC ZINC000002773148 180954801 /nfs/dbraw/zinc/95/48/01/180954801.db2.gz MMOILERRISDYCQ-UHFFFAOYSA-N 0 0 305.355 3.688 50 0 DHAARN Cn1ccnc1SC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000002800624 180959482 /nfs/dbraw/zinc/95/94/82/180959482.db2.gz HTFPHFLLNAYUTR-KRWDZBQOSA-N 0 0 310.422 3.913 50 0 DHAARN COc1cccc(OCCOc2cccc(Br)c2)c1 ZINC000002983723 180973184 /nfs/dbraw/zinc/97/31/84/180973184.db2.gz JQWUGOWYFOYPLT-UHFFFAOYSA-N 0 0 323.186 3.916 50 0 DHAARN CCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000003044799 180978585 /nfs/dbraw/zinc/97/85/85/180978585.db2.gz DHOFCFKVLZADDP-UHFFFAOYSA-N 0 0 305.381 3.827 50 0 DHAARN O=C1c2ccc(F)cc2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000003204640 180991954 /nfs/dbraw/zinc/99/19/54/180991954.db2.gz NULKOGGFDGQWNG-UHFFFAOYSA-N 0 0 309.218 3.645 50 0 DHAARN C[C@]1(C(=O)OCC(=O)c2ccc(Cl)cc2)CC1(Cl)Cl ZINC000003265323 180998197 /nfs/dbraw/zinc/99/81/97/180998197.db2.gz KSNLSUVLHKBVHL-GFCCVEGCSA-N 0 0 321.587 3.650 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)COc1ncnc2ccccc21 ZINC000003266485 180998291 /nfs/dbraw/zinc/99/82/91/180998291.db2.gz BKTCNWCJMHWOOT-UHFFFAOYSA-N 0 0 317.348 3.681 50 0 DHAARN Cc1cccc(NC(=O)CN(C)Cc2cccc(F)c2)c1C ZINC000003323138 181005701 /nfs/dbraw/zinc/00/57/01/181005701.db2.gz JKLQSXDQSOUSLL-UHFFFAOYSA-N 0 0 300.377 3.513 50 0 DHAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc(O)cc1 ZINC000003284187 181000385 /nfs/dbraw/zinc/00/03/85/181000385.db2.gz FIPLQUYFEHPFMF-UHFFFAOYSA-N 0 0 311.362 3.873 50 0 DHAARN Cc1csc(SCC(=O)NCc2cccc(Cl)c2)n1 ZINC000003379009 181013235 /nfs/dbraw/zinc/01/32/35/181013235.db2.gz OGAQJFBTNSIJBW-UHFFFAOYSA-N 0 0 312.847 3.513 50 0 DHAARN CN1C(=S)N=NC1c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000003379434 181013308 /nfs/dbraw/zinc/01/33/08/181013308.db2.gz MHVSEBVBDDIKQE-SNVBAGLBSA-N 0 0 307.488 3.983 50 0 DHAARN Cc1ccsc1C(=O)OCC(=O)Nc1cccc(Cl)c1 ZINC000003384291 181013982 /nfs/dbraw/zinc/01/39/82/181013982.db2.gz FBXXFZIWZKBMPM-UHFFFAOYSA-N 0 0 309.774 3.505 50 0 DHAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc[nH]1 ZINC000003335811 181007639 /nfs/dbraw/zinc/00/76/39/181007639.db2.gz NAULDZIRDSLUGS-UHFFFAOYSA-N 0 0 319.360 3.645 50 0 DHAARN CCOc1ccc(OCCC(=O)Nc2ccc(F)cc2C)cc1 ZINC000003334479 181007773 /nfs/dbraw/zinc/00/77/73/181007773.db2.gz ALLFGWXIOVFNKC-UHFFFAOYSA-N 0 0 317.360 3.940 50 0 DHAARN COc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1OC ZINC000003334608 181007933 /nfs/dbraw/zinc/00/79/33/181007933.db2.gz URVNLWWLTPGJJR-INIZCTEOSA-N 0 0 311.381 3.511 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2ccccc21 ZINC000003341865 181008455 /nfs/dbraw/zinc/00/84/55/181008455.db2.gz GRFINIPGYWIJAD-IBGZPJMESA-N 0 0 304.393 3.904 50 0 DHAARN COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000003343718 181009378 /nfs/dbraw/zinc/00/93/78/181009378.db2.gz PBFOLXGMIDNFMC-JTQLQIEISA-N 0 0 307.752 3.979 50 0 DHAARN COc1ccc(-c2csc3ncnc(N4CCCC4)c23)cc1 ZINC000003406896 181015898 /nfs/dbraw/zinc/01/58/98/181015898.db2.gz HUBSQGTWIBQVHM-UHFFFAOYSA-N 0 0 311.410 3.967 50 0 DHAARN C/C=C/c1ccc(OCC(=O)Nc2nc(C)cs2)c(OC)c1 ZINC000003415228 181017112 /nfs/dbraw/zinc/01/71/12/181017112.db2.gz ABJHZXPOGZZHNK-SNAWJCMRSA-N 0 0 318.398 3.511 50 0 DHAARN COc1ccccc1[C@@H](C)NC(=O)CCOc1cccc(C)c1 ZINC000003417637 181017174 /nfs/dbraw/zinc/01/71/74/181017174.db2.gz KYQVKIWVDRQVOC-OAHLLOKOSA-N 0 0 313.397 3.650 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000003424796 181017756 /nfs/dbraw/zinc/01/77/56/181017756.db2.gz ATPCVWPVKHAJDV-UHFFFAOYSA-N 0 0 311.381 3.716 50 0 DHAARN COc1ccc(Nc2nnc(SC[C@H]3CCCO3)s2)cc1 ZINC000003422418 181017806 /nfs/dbraw/zinc/01/78/06/181017806.db2.gz ZMCQAFTVQZUFGZ-GFCCVEGCSA-N 0 0 323.443 3.561 50 0 DHAARN COc1ccc2nc(NC(=O)c3sccc3C)sc2c1 ZINC000003426958 181018124 /nfs/dbraw/zinc/01/81/24/181018124.db2.gz ITGUSDRFDHAMHK-UHFFFAOYSA-N 0 0 304.396 3.927 50 0 DHAARN O=C(COc1ccc2c(c1)CCC2)N[C@H]1CCCc2ccccc21 ZINC000003435619 181019560 /nfs/dbraw/zinc/01/95/60/181019560.db2.gz HBSVOHVGFJOOHT-FQEVSTJZSA-N 0 0 321.420 3.748 50 0 DHAARN COc1cc2c(cc1NC(=O)c1cnccn1)oc1ccccc12 ZINC000003444452 181021099 /nfs/dbraw/zinc/02/10/99/181021099.db2.gz KIGLLXWVFLAXCC-UHFFFAOYSA-N 0 0 319.320 3.637 50 0 DHAARN COCc1c2ccccc2oc1C(=O)OCc1c(C)noc1C ZINC000003450345 181021353 /nfs/dbraw/zinc/02/13/53/181021353.db2.gz NGZWUSJQQYSXPC-UHFFFAOYSA-N 0 0 315.325 3.541 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1C ZINC000003512276 181028860 /nfs/dbraw/zinc/02/88/60/181028860.db2.gz GULLGHLESBDTOZ-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN CCc1cccc(C)c1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000003536991 181031585 /nfs/dbraw/zinc/03/15/85/181031585.db2.gz XLYUORHQYUJDQJ-OAHLLOKOSA-N 0 0 308.425 3.947 50 0 DHAARN COc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000003551945 181033336 /nfs/dbraw/zinc/03/33/36/181033336.db2.gz YNOSOPSRSMWCMS-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN CCOC(=O)c1sc(NC(=O)Cc2ccccc2F)cc1C ZINC000003553173 181033365 /nfs/dbraw/zinc/03/33/65/181033365.db2.gz UCQWHXYEHBJJLH-UHFFFAOYSA-N 0 0 321.373 3.554 50 0 DHAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000003553652 181033606 /nfs/dbraw/zinc/03/36/06/181033606.db2.gz IVSAWYWFELUEKC-ACJLOTCBSA-N 0 0 311.381 3.979 50 0 DHAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000003554334 181033845 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DHAARN COc1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1C ZINC000018134448 182094512 /nfs/dbraw/zinc/09/45/12/182094512.db2.gz QDEMVSAOFIVMBY-HNNXBMFYSA-N 0 0 313.422 3.971 50 0 DHAARN CCCCSc1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000017946014 182088487 /nfs/dbraw/zinc/08/84/87/182088487.db2.gz AVOYJRKSQUCXIX-OKILXGFUSA-N 0 0 307.459 3.828 50 0 DHAARN Cc1cc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)on1 ZINC000017992780 182089100 /nfs/dbraw/zinc/08/91/00/182089100.db2.gz YFQPDHDGFQJOPF-UHFFFAOYSA-N 0 0 318.716 3.648 50 0 DHAARN COc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c(OC)c1 ZINC000018029443 182089431 /nfs/dbraw/zinc/08/94/31/182089431.db2.gz PPTHXYAUQZBZCM-UHFFFAOYSA-N 0 0 322.364 3.747 50 0 DHAARN CC(C)CCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000018941230 182103436 /nfs/dbraw/zinc/10/34/36/182103436.db2.gz JQJQOLAAKPNAHG-UHFFFAOYSA-N 0 0 324.471 3.672 50 0 DHAARN COc1ccccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000018173617 182095683 /nfs/dbraw/zinc/09/56/83/182095683.db2.gz DSNSIYVSKOGTAG-JTQLQIEISA-N 0 0 302.296 3.501 50 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0 DHAARN Cc1ccc([C@H](C)Nc2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000019760294 182144496 /nfs/dbraw/zinc/14/44/96/182144496.db2.gz LSJWAXODYVYHKU-LBPRGKRZSA-N 0 0 321.384 3.886 50 0 DHAARN CCCCOc1ccccc1C(=O)Nc1cc(N)ccc1F ZINC000019736620 182140525 /nfs/dbraw/zinc/14/05/25/182140525.db2.gz DPZVGYXCRVKUGE-UHFFFAOYSA-N 0 0 302.349 3.839 50 0 DHAARN COc1ccc(N)cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000019736738 182140613 /nfs/dbraw/zinc/14/06/13/182140613.db2.gz SBQXBDZBBQKDBE-UHFFFAOYSA-N 0 0 314.385 3.565 50 0 DHAARN Cc1ccccc1C1=Nn2c(nnc2-c2ccc(F)cc2)SC1 ZINC000019826781 182154363 /nfs/dbraw/zinc/15/43/63/182154363.db2.gz CVGJUBTZPAUGCR-UHFFFAOYSA-N 0 0 324.384 3.751 50 0 DHAARN CC(C)n1cc(CN(C)C(=O)CCc2cccc(Cl)c2)cn1 ZINC000019837751 182154720 /nfs/dbraw/zinc/15/47/20/182154720.db2.gz AHLOHJYTTGCBPK-UHFFFAOYSA-N 0 0 319.836 3.709 50 0 DHAARN COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ncc(C)s2)cc1 ZINC000019927615 182165027 /nfs/dbraw/zinc/16/50/27/182165027.db2.gz YUPYSKJNNWAEPR-QMTHXVAHSA-N 0 0 320.439 3.627 50 0 DHAARN Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c(C)c1C ZINC000019942935 182168436 /nfs/dbraw/zinc/16/84/36/182168436.db2.gz PQXKVRSCOITFNO-VXGBXAGGSA-N 0 0 309.475 3.587 50 0 DHAARN CCCn1c2ccccc2n(CCOc2ccccc2C)c1=N ZINC000020149569 182192134 /nfs/dbraw/zinc/19/21/34/182192134.db2.gz SMIOCKLLWYODNG-UHFFFAOYSA-N 0 0 309.413 3.720 50 0 DHAARN Cn1cncc1Cn1ccc(-c2cccc(-c3ccoc3)c2)n1 ZINC000020208719 182197472 /nfs/dbraw/zinc/19/74/72/182197472.db2.gz JOQLLSOGPNPMSC-UHFFFAOYSA-N 0 0 304.353 3.592 50 0 DHAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)c2ccccc12 ZINC000020247820 182200414 /nfs/dbraw/zinc/20/04/14/182200414.db2.gz NCCSVEACSMWHAL-UHFFFAOYSA-N 0 0 317.344 3.645 50 0 DHAARN COc1ccccc1CNC(=O)Nc1ccc(Cl)cc1F ZINC000020274865 182202793 /nfs/dbraw/zinc/20/27/93/182202793.db2.gz MQPVWCSBXUCXAG-UHFFFAOYSA-N 0 0 308.740 3.809 50 0 DHAARN COC(=O)c1cc2c(-c3ccccc3)[nH]n(-c3ccccc3)c-2n1 ZINC000020280886 182203201 /nfs/dbraw/zinc/20/32/01/182203201.db2.gz HVCCYNIVKKRINA-UHFFFAOYSA-N 0 0 317.348 3.807 50 0 DHAARN Cc1ccc(-c2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000020394147 182214262 /nfs/dbraw/zinc/21/42/62/182214262.db2.gz TZFFWVAYERVOFY-KBPBESRZSA-N 0 0 302.443 3.728 50 0 DHAARN Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000020398835 182214357 /nfs/dbraw/zinc/21/43/57/182214357.db2.gz KUPQCOBCNMQSTM-GOSISDBHSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1nc(NC(=O)[C@@H](C)Nc2ccc(C)c(C)c2)sc1C ZINC000020402794 182214984 /nfs/dbraw/zinc/21/49/84/182214984.db2.gz VKAOZGQDEOLFQQ-GFCCVEGCSA-N 0 0 303.431 3.816 50 0 DHAARN O=C(Nc1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000020430095 182216264 /nfs/dbraw/zinc/21/62/64/182216264.db2.gz CKRGITAFXTWYGZ-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN Clc1cccc(Cl)c1Cn1cnc2c1ncnc2Cl ZINC000020429039 182216533 /nfs/dbraw/zinc/21/65/33/182216533.db2.gz OODRAFIESPIMIC-UHFFFAOYSA-N 0 0 313.575 3.835 50 0 DHAARN Cc1cc(C)c2c(n1)sc1c2NCN(Cc2ccccc2)C1=O ZINC000020446420 182218095 /nfs/dbraw/zinc/21/80/95/182218095.db2.gz WJSJLJQMMTWKBY-UHFFFAOYSA-N 0 0 323.421 3.939 50 0 DHAARN Clc1c(OCCCC[NH+]2CCOCC2)ccc2ccccc21 ZINC000020639631 182241045 /nfs/dbraw/zinc/24/10/45/182241045.db2.gz PBULPRIHQVQBOK-UHFFFAOYSA-N 0 0 319.832 3.984 50 0 DHAARN CCCCCCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000020582425 182234958 /nfs/dbraw/zinc/23/49/58/182234958.db2.gz VKOXDNHNJORSTA-SDNWHVSQSA-N 0 0 305.399 3.970 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000020602131 182237182 /nfs/dbraw/zinc/23/71/82/182237182.db2.gz DGFLQXGTKQIEHG-HNNXBMFYSA-N 0 0 318.735 3.611 50 0 DHAARN CCCn1nc(C)c2c1nc(-c1cnn(C)c1)cc2C(F)(F)F ZINC000020605182 182237270 /nfs/dbraw/zinc/23/72/70/182237270.db2.gz TWJKKKSYBSNUQN-UHFFFAOYSA-N 0 0 323.322 3.569 50 0 DHAARN CN(C(=O)c1noc2c1COc1ccccc1-2)c1ccccc1F ZINC000020901942 182252756 /nfs/dbraw/zinc/25/27/56/182252756.db2.gz RQLQWVNTMPNQHF-UHFFFAOYSA-N 0 0 324.311 3.650 50 0 DHAARN Cc1ncc(-c2nc3c[nH]n([C@H](C)c4ccccc4)c-3n2)s1 ZINC000020909131 182253645 /nfs/dbraw/zinc/25/36/45/182253645.db2.gz NFKJBVYHFKFEBR-SNVBAGLBSA-N 0 0 309.398 3.801 50 0 DHAARN CC(C)CCC[C@@H](C)NC(=O)Cc1cnc(-n2cccc2)s1 ZINC000020763002 182246561 /nfs/dbraw/zinc/24/65/61/182246561.db2.gz HVTQXCBFXOOHMQ-CQSZACIVSA-N 0 0 319.474 3.807 50 0 biogenic DHAARN CCCn1c2ccc(NC(=O)c3ccccc3)cc2sc1=O ZINC000020854043 182249315 /nfs/dbraw/zinc/24/93/15/182249315.db2.gz QFSIRFKVVAVHPN-UHFFFAOYSA-N 0 0 312.394 3.725 50 0 DHAARN Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020888999 182251703 /nfs/dbraw/zinc/25/17/03/182251703.db2.gz SZYRMQLWKOBXEB-AWEZNQCLSA-N 0 0 321.380 3.844 50 0 DHAARN COc1ccc2c(c1)C=C(C(=O)Nc1ccc(C)cc1C)CO2 ZINC000021095327 182264694 /nfs/dbraw/zinc/26/46/94/182264694.db2.gz CROJALRIJVLPOH-UHFFFAOYSA-N 0 0 309.365 3.727 50 0 DHAARN CC[C@@H]1CN(CC(=O)NC2CCCCC2)c2ccccc2S1 ZINC000021093932 182264776 /nfs/dbraw/zinc/26/47/76/182264776.db2.gz CUNWYBBQQKNTCL-OAHLLOKOSA-N 0 0 318.486 3.826 50 0 DHAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000020963688 182256652 /nfs/dbraw/zinc/25/66/52/182256652.db2.gz JETKPNKLDQCJMG-TUAOUCFPSA-N 0 0 321.808 3.560 50 0 DHAARN O=C(Nc1cnc2ccccc2c1)c1ccccc1-c1ncc[nH]1 ZINC000020996563 182258128 /nfs/dbraw/zinc/25/81/28/182258128.db2.gz OZPRNBQYICZFLX-UHFFFAOYSA-N 0 0 314.348 3.877 50 0 DHAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC=C[C@@H]1C(C)C ZINC000097772871 193755884 /nfs/dbraw/zinc/75/58/84/193755884.db2.gz GEFWPUAMZBPDKL-QGZVFWFLSA-N 0 0 300.377 3.581 50 0 DHAARN O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CC1 ZINC000021362771 182272835 /nfs/dbraw/zinc/27/28/35/182272835.db2.gz QRSSKUWNCHSCFB-UHFFFAOYSA-N 0 0 321.405 3.875 50 0 DHAARN Cc1ccc(NC(=O)COc2nc(C)nc3ccccc32)c(C)c1 ZINC000021361055 182272941 /nfs/dbraw/zinc/27/29/41/182272941.db2.gz MNRHWHAEFDSIFC-UHFFFAOYSA-N 0 0 321.380 3.573 50 0 DHAARN Cc1nc(CC(=O)Nc2ccc3nc(C)sc3c2)cs1 ZINC000021361429 182273046 /nfs/dbraw/zinc/27/30/46/182273046.db2.gz JTZYZTRFUDSHBC-UHFFFAOYSA-N 0 0 303.412 3.551 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000021718661 182285145 /nfs/dbraw/zinc/28/51/45/182285145.db2.gz MYXVCOVUPYZAON-AWEZNQCLSA-N 0 0 304.777 3.543 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)no1 ZINC000021718937 182285301 /nfs/dbraw/zinc/28/53/01/182285301.db2.gz BGBMFAIANINBKY-AWEZNQCLSA-N 0 0 317.389 3.887 50 0 DHAARN CCCc1cc([C@H]2CCCN2C(=O)c2cc(C(C)C)on2)no1 ZINC000021719156 182285395 /nfs/dbraw/zinc/28/53/95/182285395.db2.gz LJHQUIIDWVOHPG-OAHLLOKOSA-N 0 0 317.389 3.716 50 0 DHAARN COc1ccc(C(=O)N(Cc2ccco2)c2ccccn2)cc1 ZINC000021524329 182278276 /nfs/dbraw/zinc/27/82/76/182278276.db2.gz YOTDLQZPUHFMJE-UHFFFAOYSA-N 0 0 308.337 3.530 50 0 DHAARN COc1cc(C(=O)Nc2cccc3cccnc32)cc(OC)c1C ZINC000021551673 182280070 /nfs/dbraw/zinc/28/00/70/182280070.db2.gz TVLSTAOMLBVYOI-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(N(CC)c2ccccc2)n1 ZINC000021645065 182282124 /nfs/dbraw/zinc/28/21/24/182282124.db2.gz ZTBXXMZEZZRRND-UHFFFAOYSA-N 0 0 321.380 3.965 50 0 DHAARN O=C(NCc1ccco1)c1ccccc1COc1ccccc1 ZINC000021703152 182284061 /nfs/dbraw/zinc/28/40/61/182284061.db2.gz SYFQIAUVJBUDDI-UHFFFAOYSA-N 0 0 307.349 3.789 50 0 DHAARN O=C(CCc1ccc(-c2ccccc2)o1)NCCc1ccccn1 ZINC000021773493 182288076 /nfs/dbraw/zinc/28/80/76/182288076.db2.gz WNZXHBJBGMLVGU-UHFFFAOYSA-N 0 0 320.392 3.633 50 0 DHAARN Cc1ccc(C)c(NC(=O)c2cccc3c(=O)cc(C)[nH]c23)c1 ZINC000021792921 182289561 /nfs/dbraw/zinc/28/95/61/182289561.db2.gz YFOSJWHWDXBEIX-UHFFFAOYSA-N 0 0 306.365 3.706 50 0 DHAARN O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000021798731 182290221 /nfs/dbraw/zinc/29/02/21/182290221.db2.gz IFXGRQKZBFSFKU-HXUWFJFHSA-N 0 0 302.377 3.530 50 0 DHAARN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000021798703 182290514 /nfs/dbraw/zinc/29/05/14/182290514.db2.gz CFPIVIFETCBTNB-IBGZPJMESA-N 0 0 318.376 3.610 50 0 biogenic DHAARN Cc1ccccc1NC(=O)[C@H]1CCn2c(nc3ccccc32)C1 ZINC000021884165 182296267 /nfs/dbraw/zinc/29/62/67/182296267.db2.gz MKZQBWFINPIXEJ-AWEZNQCLSA-N 0 0 305.381 3.546 50 0 DHAARN C[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NCc1ccco1 ZINC000021890709 182297050 /nfs/dbraw/zinc/29/70/50/182297050.db2.gz NQBSAZKXXMTOGH-CQSZACIVSA-N 0 0 321.380 3.857 50 0 DHAARN Clc1cc(Cn2cnc3ccccc32)cc2c1OCCO2 ZINC000021997341 182302983 /nfs/dbraw/zinc/30/29/83/182302983.db2.gz VREHDJGCZPFLCY-UHFFFAOYSA-N 0 0 300.745 3.509 50 0 DHAARN Cc1ccoc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000022088844 182308560 /nfs/dbraw/zinc/30/85/60/182308560.db2.gz KHGYDWAWKFPQHY-UHFFFAOYSA-N 0 0 307.353 3.515 50 0 DHAARN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccccn2)[nH]n1 ZINC000021940806 182299715 /nfs/dbraw/zinc/29/97/15/182299715.db2.gz OLDFIQILRXELCF-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN CCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000022282667 182316204 /nfs/dbraw/zinc/31/62/04/182316204.db2.gz AYAQWORJOYIULK-UHFFFAOYSA-N 0 0 309.409 3.937 50 0 DHAARN C[C@H]1C[C@H](NC(=O)c2cc(-c3ccco3)on2)CC(C)(C)C1 ZINC000022324325 182317579 /nfs/dbraw/zinc/31/75/79/182317579.db2.gz PQOWDXKNJLFEPI-RYUDHWBXSA-N 0 0 302.374 3.879 50 0 DHAARN O=C(NC1CC1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022630237 182329127 /nfs/dbraw/zinc/32/91/27/182329127.db2.gz OFYZOPTZBIHEPD-UHFFFAOYSA-N 0 0 303.365 3.636 50 0 DHAARN Cc1noc(-c2cccs2)c1C(=O)N(C)Cc1ccccc1 ZINC000022649496 182329618 /nfs/dbraw/zinc/32/96/18/182329618.db2.gz RGWLKPXQBWCZGA-UHFFFAOYSA-N 0 0 312.394 3.984 50 0 DHAARN COc1ccc(Cl)cc1C(=O)NCC1(c2cccs2)CC1 ZINC000022680051 182330459 /nfs/dbraw/zinc/33/04/59/182330459.db2.gz KSCZISFDLGKUOO-UHFFFAOYSA-N 0 0 321.829 3.872 50 0 DHAARN CCc1ccc(C(=O)Nc2ccccc2-c2nc(C)no2)cc1 ZINC000022457971 182321931 /nfs/dbraw/zinc/32/19/31/182321931.db2.gz KYZQXSOUWSSUSK-UHFFFAOYSA-N 0 0 307.353 3.860 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC(=O)N2 ZINC000022506922 182323702 /nfs/dbraw/zinc/32/37/02/182323702.db2.gz SJJFZBFBRAJEJD-UHFFFAOYSA-N 0 0 315.760 3.869 50 0 DHAARN Cc1cc(C(=O)NCc2ccccc2)c(C)n1Cc1ccco1 ZINC000022863931 182337727 /nfs/dbraw/zinc/33/77/27/182337727.db2.gz BCYUQSXKPZHTGK-UHFFFAOYSA-N 0 0 308.381 3.676 50 0 DHAARN O=C(C1CC1)N(Cc1ccco1)c1nc2ccc(F)cc2s1 ZINC000022896463 182339739 /nfs/dbraw/zinc/33/97/39/182339739.db2.gz VKLODXQWKVROLP-UHFFFAOYSA-N 0 0 316.357 3.972 50 0 DHAARN CC(C)=CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000022896438 182339996 /nfs/dbraw/zinc/33/99/96/182339996.db2.gz XYFADFUMFSPGIZ-UHFFFAOYSA-N 0 0 317.458 3.911 50 0 DHAARN Cc1ccccc1C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000023142528 182351622 /nfs/dbraw/zinc/35/16/22/182351622.db2.gz ZPLOXOHYZJPTSF-UHFFFAOYSA-N 0 0 323.314 3.823 50 0 DHAARN COc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)c(OC)c1 ZINC000023040599 182345556 /nfs/dbraw/zinc/34/55/56/182345556.db2.gz YCFPZAKVXDVMTE-UHFFFAOYSA-N 0 0 313.397 3.593 50 0 DHAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1C ZINC000023043144 182345729 /nfs/dbraw/zinc/34/57/29/182345729.db2.gz WTKHZSIZIZTLPH-UHFFFAOYSA-N 0 0 315.438 3.657 50 0 DHAARN Cc1cc2ccccc2n1CC(=O)Nc1nc(C2CC2)cs1 ZINC000023135114 182349738 /nfs/dbraw/zinc/34/97/38/182349738.db2.gz JPLDRYIHQKLGSO-UHFFFAOYSA-N 0 0 311.410 3.922 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1cccnc1N1CCCC1 ZINC000023674910 182365958 /nfs/dbraw/zinc/36/59/58/182365958.db2.gz HNMDCKDNEAFYQD-UHFFFAOYSA-N 0 0 301.777 3.588 50 0 DHAARN CCCN(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 ZINC000024325530 182378997 /nfs/dbraw/zinc/37/89/97/182378997.db2.gz ITJZUMSEROSFBQ-UHFFFAOYSA-N 0 0 321.218 3.830 50 0 DHAARN C[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000023864218 182369707 /nfs/dbraw/zinc/36/97/07/182369707.db2.gz XQKWUFVWEBZNTG-JTQLQIEISA-N 0 0 313.781 3.519 50 0 DHAARN COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c(O)c1 ZINC000023951738 182370219 /nfs/dbraw/zinc/37/02/19/182370219.db2.gz CAVZQAXCACMIAN-LLVKDONJSA-N 0 0 311.337 3.638 50 0 DHAARN CCCC(=O)Nc1ccc(Nc2nc(C)cc(NCC)n2)cc1 ZINC000023993835 182371461 /nfs/dbraw/zinc/37/14/61/182371461.db2.gz YIVFQMDMRKUKMS-UHFFFAOYSA-N 0 0 313.405 3.699 50 0 DHAARN COC(=O)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000024002061 182372486 /nfs/dbraw/zinc/37/24/86/182372486.db2.gz HZBIRLQNCBFRKD-NVXWUHKLSA-N 0 0 313.422 3.727 50 0 DHAARN 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/nfs/dbraw/zinc/03/62/25/183036225.db2.gz CTLNPOQBASYBRD-HNNXBMFYSA-N 0 0 312.413 3.679 50 0 DHAARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000040108874 183036761 /nfs/dbraw/zinc/03/67/61/183036761.db2.gz FLERWCDVMZLKFM-UHFFFAOYSA-N 0 0 303.280 3.836 50 0 DHAARN Cc1cnc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cn1 ZINC000040117331 183037248 /nfs/dbraw/zinc/03/72/48/183037248.db2.gz REAYTZADLDUPRZ-QGZVFWFLSA-N 0 0 313.376 3.585 50 0 DHAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccs1 ZINC000040112241 183037345 /nfs/dbraw/zinc/03/73/45/183037345.db2.gz IFUFFFAYRAPGAK-UHFFFAOYSA-N 0 0 300.383 3.657 50 0 DHAARN CC(C)OCc1cccc(CNC(=O)CCc2ccsc2)c1 ZINC000040122272 183038762 /nfs/dbraw/zinc/03/87/62/183038762.db2.gz IXCYRRKEJWBTNT-UHFFFAOYSA-N 0 0 317.454 3.922 50 0 DHAARN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1ccco1 ZINC000040323901 183054065 /nfs/dbraw/zinc/05/40/65/183054065.db2.gz DBSVVFRKRYWHOW-UHFFFAOYSA-N 0 0 318.785 3.987 50 0 DHAARN CCc1nc(Cl)c(N)c(Oc2ccc3ccncc3c2)n1 ZINC000040428553 183065164 /nfs/dbraw/zinc/06/51/64/183065164.db2.gz JIKRVQGBAMWFOT-UHFFFAOYSA-N 0 0 300.749 3.615 50 0 DHAARN CC(C)Nc1nc(C(=O)Nc2nc3ccccc3s2)cs1 ZINC000040267702 183050086 /nfs/dbraw/zinc/05/00/86/183050086.db2.gz NZXRHUPUIJMPAU-UHFFFAOYSA-N 0 0 318.427 3.825 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)NCCCOC1CCCCC1 ZINC000040465489 183071404 /nfs/dbraw/zinc/07/14/04/183071404.db2.gz RECPDYUFDORBJR-UHFFFAOYSA-N 0 0 308.422 3.576 50 0 DHAARN Cc1nsc2nc(-c3ccc(Cl)cc3Cl)oc(=O)c12 ZINC000040464782 183072033 /nfs/dbraw/zinc/07/20/33/183072033.db2.gz DXPOOKBFGGTWQZ-UHFFFAOYSA-N 0 0 313.165 3.927 50 0 DHAARN C[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1ccccc1F ZINC000040466242 183072366 /nfs/dbraw/zinc/07/23/66/183072366.db2.gz SNJVKNOEWGMTSS-NSHDSACASA-N 0 0 315.323 3.866 50 0 DHAARN COc1ccc([C@H]2CCCN2Cc2nnsc2Cl)cc1 ZINC000040466168 183072966 /nfs/dbraw/zinc/07/29/66/183072966.db2.gz WAXARKMDDIXODO-CYBMUJFWSA-N 0 0 309.822 3.537 50 0 DHAARN O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478349 183075898 /nfs/dbraw/zinc/07/58/98/183075898.db2.gz XFXJMHYJNJOSGI-UHFFFAOYSA-N 0 0 317.270 3.746 50 0 DHAARN CCCCn1c2ccccc2n2c1nc(-c1cccnc1)cc2=O ZINC000040484621 183077998 /nfs/dbraw/zinc/07/79/98/183077998.db2.gz ANHKJCSIXDNACL-UHFFFAOYSA-N 0 0 318.380 3.511 50 0 DHAARN CCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000040488197 183078605 /nfs/dbraw/zinc/07/86/05/183078605.db2.gz ILWRHUMBSXSLIW-UHFFFAOYSA-N 0 0 314.332 3.508 50 0 DHAARN O=C1c2cccc3cccc(c23)N1C[C@@H](O)c1ccccc1F ZINC000040501838 183083672 /nfs/dbraw/zinc/08/36/72/183083672.db2.gz UMVWNSNQUJTDME-QGZVFWFLSA-N 0 0 307.324 3.673 50 0 DHAARN COc1ccccc1C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000040510083 183085948 /nfs/dbraw/zinc/08/59/48/183085948.db2.gz ROVQDDYHPUXMAB-UHFFFAOYSA-N 0 0 321.336 3.530 50 0 DHAARN CC(C)c1noc(CCCC(=O)Nc2cccc(Cl)c2)n1 ZINC000040515656 183089019 /nfs/dbraw/zinc/08/90/19/183089019.db2.gz TUOGHRKFDJSMNB-UHFFFAOYSA-N 0 0 307.781 3.808 50 0 DHAARN COc1cc(OC)c(NC(=O)N(C)Cc2ccco2)cc1Cl ZINC000040526550 183092543 /nfs/dbraw/zinc/09/25/43/183092543.db2.gz QNBVGGGPDDWPRJ-UHFFFAOYSA-N 0 0 324.764 3.614 50 0 DHAARN Cc1ccccc1[C@H]1CC(c2ccc(F)cc2)=Nc2ncnn21 ZINC000102047670 193856792 /nfs/dbraw/zinc/85/67/92/193856792.db2.gz BCLWXBYVNAFTCL-QGZVFWFLSA-N 0 0 306.344 3.782 50 0 DHAARN Cc1nc(-c2cccc(Oc3nccc(C(F)(F)F)n3)c2)no1 ZINC000040555457 183101468 /nfs/dbraw/zinc/10/14/68/183101468.db2.gz ITSFXEJLJRWPMP-UHFFFAOYSA-N 0 0 322.246 3.646 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000040555278 183101969 /nfs/dbraw/zinc/10/19/69/183101969.db2.gz NQEQKMXDNWJPDB-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN Cc1ccccc1NC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000041077088 183163858 /nfs/dbraw/zinc/16/38/58/183163858.db2.gz ORKZNROCRSPFIG-UHFFFAOYSA-N 0 0 321.380 3.500 50 0 DHAARN CCc1cc2c(nc(-c3ccccc3)nc2NCCCO)s1 ZINC000041090336 183164169 /nfs/dbraw/zinc/16/41/69/183164169.db2.gz ZPCBLSRIWVFSLB-UHFFFAOYSA-N 0 0 313.426 3.715 50 0 DHAARN C[C@H](CNC(=O)c1ccc(F)cc1)Oc1ccc(Cl)cc1 ZINC000041155691 183178689 /nfs/dbraw/zinc/17/86/89/183178689.db2.gz DXMWJNFMGVPNTI-LLVKDONJSA-N 0 0 307.752 3.676 50 0 DHAARN CC(C)Cc1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000041123404 183168498 /nfs/dbraw/zinc/16/84/98/183168498.db2.gz UZCXHSFYKDMXEA-LBPRGKRZSA-N 0 0 319.430 3.697 50 0 DHAARN O=C(NCc1nccs1)C(c1ccccc1)c1ccccc1 ZINC000041566034 183203942 /nfs/dbraw/zinc/20/39/42/183203942.db2.gz UUCOSPFGMRACAA-UHFFFAOYSA-N 0 0 308.406 3.591 50 0 DHAARN COc1cc(C(=O)N2CCCC2)cc(Cl)c1OCC(C)C ZINC000041777685 183219234 /nfs/dbraw/zinc/21/92/34/183219234.db2.gz GZIDQTSBMYTVLE-UHFFFAOYSA-N 0 0 311.809 3.619 50 0 DHAARN O=C(NCc1ccc(Br)cc1)c1cccc(F)c1 ZINC000042418635 183266626 /nfs/dbraw/zinc/26/66/26/183266626.db2.gz STSQBRAHDDNDHZ-UHFFFAOYSA-N 0 0 308.150 3.518 50 0 DHAARN O=C(Nc1nccs1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000042757360 183305509 /nfs/dbraw/zinc/30/55/09/183305509.db2.gz ADIMTSMCGIGOML-UHFFFAOYSA-N 0 0 324.409 3.946 50 0 DHAARN CC(C)(C)n1nc(C(=O)N2CCc3ccccc3C2)cc1C1CC1 ZINC000042736732 183303516 /nfs/dbraw/zinc/30/35/16/183303516.db2.gz GQMJJKCWBWPQAM-UHFFFAOYSA-N 0 0 323.440 3.714 50 0 DHAARN CC(=O)Oc1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000043209926 183344381 /nfs/dbraw/zinc/34/43/81/183344381.db2.gz IFRAFNJMZOSYKW-UHFFFAOYSA-N 0 0 319.154 3.605 50 0 DHAARN CC(=O)Oc1cccc(C(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000043209846 183344589 /nfs/dbraw/zinc/34/45/89/183344589.db2.gz IGJZQGRFNHTRNY-UHFFFAOYSA-N 0 0 308.255 3.862 50 0 DHAARN CCOC(=O)CCCCCC(=O)c1ccc(CN2CCC2)cc1 ZINC000043210890 183344958 /nfs/dbraw/zinc/34/49/58/183344958.db2.gz YLCQBJIOARGKPV-UHFFFAOYSA-N 0 0 317.429 3.589 50 0 DHAARN O=C(c1cccc(C2OCCO2)c1)c1ccc(F)cc1Cl ZINC000043212577 183345049 /nfs/dbraw/zinc/34/50/49/183345049.db2.gz RQWXFWLALKHVIZ-UHFFFAOYSA-N 0 0 306.720 3.756 50 0 DHAARN O=C(c1cccc(C2OCCO2)c1)c1cc(F)cc(Cl)c1 ZINC000043212579 183345409 /nfs/dbraw/zinc/34/54/09/183345409.db2.gz HLDJREPVTXABAR-UHFFFAOYSA-N 0 0 306.720 3.756 50 0 DHAARN CCOc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 ZINC000043774408 183385535 /nfs/dbraw/zinc/38/55/35/183385535.db2.gz ANRSBOZSMKRCLB-UHFFFAOYSA-N 0 0 319.364 3.795 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cccc3cccnc32)no1 ZINC000043529009 183370189 /nfs/dbraw/zinc/37/01/89/183370189.db2.gz ANHZQALRFKTXHY-MRXNPFEDSA-N 0 0 322.368 3.900 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccnc1 ZINC000043786189 183385746 /nfs/dbraw/zinc/38/57/46/183385746.db2.gz CEAIVUCGMXLIKS-IUODEOHRSA-N 0 0 315.442 3.923 50 0 DHAARN CC(C)[C@H](CNC(=O)c1ccnc(Cl)c1)Nc1ccccc1 ZINC000043695576 183381090 /nfs/dbraw/zinc/38/10/90/183381090.db2.gz AXOJMJJAQQLXJI-HNNXBMFYSA-N 0 0 317.820 3.602 50 0 DHAARN Nc1ncc(Cl)c(-c2cnc(-c3cccc(F)c3)s2)n1 ZINC000043790787 183386251 /nfs/dbraw/zinc/38/62/51/183386251.db2.gz WGBKWXGDVMKKRG-UHFFFAOYSA-N 0 0 306.753 3.642 50 0 DHAARN COc1cc(C)c(N[C@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000044072649 183393617 /nfs/dbraw/zinc/39/36/17/183393617.db2.gz URNSPFHYEIKXRF-LLVKDONJSA-N 0 0 319.405 3.866 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccsc1)C1CC1 ZINC000044446764 183409903 /nfs/dbraw/zinc/40/99/03/183409903.db2.gz ALAMFWWSMLPYAZ-UHFFFAOYSA-N 0 0 316.382 3.673 50 0 DHAARN CSc1ccc([C@H]2SCC(=O)Nc3c2cnn3C)cc1 ZINC000044921869 183458328 /nfs/dbraw/zinc/45/83/28/183458328.db2.gz RZTBFTIAAGTQHP-CYBMUJFWSA-N 0 0 305.428 3.566 50 0 DHAARN O=C(Cc1noc2ccccc21)N1CCC[C@H]1c1ccsc1 ZINC000044940635 183463141 /nfs/dbraw/zinc/46/31/41/183463141.db2.gz YYKQMNAVIKGZHK-HNNXBMFYSA-N 0 0 312.394 3.796 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)c1cc2c(s1)CCCCC2 ZINC000045000541 183474271 /nfs/dbraw/zinc/47/42/71/183474271.db2.gz ILZFUZIQWGQBFX-UHFFFAOYSA-N 0 0 303.431 3.620 50 0 DHAARN CCOc1nc2ccccc2nc1C(=O)Nc1ccc(C)c(C)c1 ZINC000045967135 183541644 /nfs/dbraw/zinc/54/16/44/183541644.db2.gz QRSAXUOCHITMMS-UHFFFAOYSA-N 0 0 321.380 3.898 50 0 DHAARN O=C(Nc1nccs1)N1CCCCC[C@H]1c1ccncc1 ZINC000045953499 183539482 /nfs/dbraw/zinc/53/94/82/183539482.db2.gz HVBZTHCYQPKQGG-ZDUSSCGKSA-N 0 0 302.403 3.687 50 0 DHAARN O=C(C[C@H]1CCCO1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000046764004 183568183 /nfs/dbraw/zinc/56/81/83/183568183.db2.gz IZMCDNKOLDZEAX-RTBURBONSA-N 0 0 309.409 3.656 50 0 DHAARN COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000047336536 183587571 /nfs/dbraw/zinc/58/75/71/183587571.db2.gz DNJMYYIJNCSGGT-AWEZNQCLSA-N 0 0 315.373 3.669 50 0 DHAARN Cc1noc2ncc(C(=O)N3CCC[C@@H]3c3ccsc3)cc12 ZINC000048225301 183628870 /nfs/dbraw/zinc/62/88/70/183628870.db2.gz KRJJYFSYAIJVQM-CQSZACIVSA-N 0 0 313.382 3.570 50 0 DHAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccc(F)cc1F ZINC000048204730 183626953 /nfs/dbraw/zinc/62/69/53/183626953.db2.gz QWCNAXNLTQYXKL-UHFFFAOYSA-N 0 0 300.264 3.872 50 0 DHAARN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000048345701 183648697 /nfs/dbraw/zinc/64/86/97/183648697.db2.gz XALCCZKEAXXACW-UHFFFAOYSA-N 0 0 315.316 3.619 50 0 DHAARN Cc1cc(NC(=O)CSCc2c(F)cccc2Cl)no1 ZINC000048391821 183655747 /nfs/dbraw/zinc/65/57/47/183655747.db2.gz QRGZSDLRTGRIFU-UHFFFAOYSA-N 0 0 314.769 3.647 50 0 DHAARN COCCCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000050186566 183776800 /nfs/dbraw/zinc/77/68/00/183776800.db2.gz WVPQOTFQMCJZBI-UHFFFAOYSA-N 0 0 314.410 3.539 50 0 DHAARN Cc1csc(CNC(=O)CCCOc2ccccc2Cl)n1 ZINC000050558753 183789259 /nfs/dbraw/zinc/78/92/59/183789259.db2.gz GRMNLSVVJIMPDQ-UHFFFAOYSA-N 0 0 324.833 3.580 50 0 DHAARN COc1ccc(NC(=O)Nc2ccc(OC)c(F)c2)c(C)c1 ZINC000051355968 183824236 /nfs/dbraw/zinc/82/42/36/183824236.db2.gz WNZTUJNAJCDFGU-UHFFFAOYSA-N 0 0 304.321 3.795 50 0 DHAARN CCc1ncnc(N[C@@H](c2nccs2)c2ccccc2)c1F ZINC000159328222 197345669 /nfs/dbraw/zinc/34/56/69/197345669.db2.gz KKDVNTYCFNJMLQ-CQSZACIVSA-N 0 0 314.389 3.836 50 0 DHAARN CSc1ccc(CN(C(=O)CC2CCOCC2)C2CC2)cc1 ZINC000055182556 183969747 /nfs/dbraw/zinc/96/97/47/183969747.db2.gz BWEMXYSUTJTUDI-UHFFFAOYSA-N 0 0 319.470 3.716 50 0 DHAARN Cc1ccc(SCCN(C)C(=O)c2cc(C(C)C)no2)cc1 ZINC000055283206 183977145 /nfs/dbraw/zinc/97/71/45/183977145.db2.gz ROWCHTFNRICJFB-UHFFFAOYSA-N 0 0 318.442 3.971 50 0 DHAARN O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H]1CCc1ccccc1 ZINC000055487386 183989000 /nfs/dbraw/zinc/98/90/00/183989000.db2.gz PHJABQFMNKQVBK-LJQANCHMSA-N 0 0 321.420 3.859 50 0 DHAARN O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1c1ccccn1 ZINC000055519712 183989997 /nfs/dbraw/zinc/98/99/97/183989997.db2.gz ICZZWVKYHWHEOV-HNNXBMFYSA-N 0 0 312.438 3.999 50 0 DHAARN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)N1CCCC1 ZINC000056504502 184014189 /nfs/dbraw/zinc/01/41/89/184014189.db2.gz GXHHLDNRFBYQNU-ZDUSSCGKSA-N 0 0 324.808 3.526 50 0 DHAARN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)N1CCCC1 ZINC000056504503 184014536 /nfs/dbraw/zinc/01/45/36/184014536.db2.gz GXHHLDNRFBYQNU-CYBMUJFWSA-N 0 0 324.808 3.526 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1C1CCCC1 ZINC000056034003 184002900 /nfs/dbraw/zinc/00/29/00/184002900.db2.gz ZBDZBMMEYDJGOH-QGZVFWFLSA-N 0 0 311.429 3.677 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C1CCCC1 ZINC000056034004 184002953 /nfs/dbraw/zinc/00/29/53/184002953.db2.gz ZBDZBMMEYDJGOH-KRWDZBQOSA-N 0 0 311.429 3.677 50 0 DHAARN Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)nn1C(C)(C)C ZINC000056035311 184003688 /nfs/dbraw/zinc/00/36/88/184003688.db2.gz MXZVCYCWFFGOEJ-MRXNPFEDSA-N 0 0 303.450 3.741 50 0 DHAARN O=C(Nc1cn[nH]c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000057029574 184025385 /nfs/dbraw/zinc/02/53/85/184025385.db2.gz ZUVXVQOOEPRYKZ-UHFFFAOYSA-N 0 0 324.306 3.625 50 0 DHAARN C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000056769568 184019490 /nfs/dbraw/zinc/01/94/90/184019490.db2.gz HOKZPJKYUZCRIA-LIRRHRJNSA-N 0 0 324.424 3.652 50 0 DHAARN Cc1ccnc(NC(=O)c2cccc(Oc3ccc(C)nn3)c2)c1 ZINC000056906648 184021040 /nfs/dbraw/zinc/02/10/40/184021040.db2.gz GIJAACGSYJNFBO-UHFFFAOYSA-N 0 0 320.352 3.533 50 0 DHAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000056979481 184022936 /nfs/dbraw/zinc/02/29/36/184022936.db2.gz XENPZQQZPKIHNP-ONGXEEELSA-N 0 0 318.760 3.780 50 0 DHAARN C[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl ZINC000057703513 184047366 /nfs/dbraw/zinc/04/73/66/184047366.db2.gz ABIWDPPNYCKXMD-SUMWQHHRSA-N 0 0 316.832 3.820 50 0 DHAARN Fc1ccc(-c2noc(-c3ccc[nH]3)n2)cc1Br ZINC000057351814 184034799 /nfs/dbraw/zinc/03/47/99/184034799.db2.gz KNYGWJCZDIFUPF-UHFFFAOYSA-N 0 0 308.110 3.633 50 0 DHAARN CC(C)C[C@@H](NC(=O)NCc1cccnc1)c1cccs1 ZINC000057394418 184036919 /nfs/dbraw/zinc/03/69/19/184036919.db2.gz WKKYJIMSRCUJBX-CQSZACIVSA-N 0 0 303.431 3.730 50 0 DHAARN CCOc1ccc(-c2cc(C(=O)N(C)c3ccccc3)n[nH]2)cc1 ZINC000057412441 184037241 /nfs/dbraw/zinc/03/72/41/184037241.db2.gz TWKSQCHTZYDJGY-UHFFFAOYSA-N 0 0 321.380 3.752 50 0 DHAARN O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCCCCC1 ZINC000057413329 184037752 /nfs/dbraw/zinc/03/77/52/184037752.db2.gz RUDGIYCBKOABSN-UHFFFAOYSA-N 0 0 303.793 3.746 50 0 DHAARN O=C(Nc1ccc(O)cc1)c1occc1COc1ccccc1 ZINC000057560191 184042255 /nfs/dbraw/zinc/04/22/55/184042255.db2.gz KWANEMPAAQGPJA-UHFFFAOYSA-N 0 0 309.321 3.817 50 0 DHAARN CN(Cc1ccccc1)CN1c2cccc3cccc(c23)C1=O ZINC000057815951 184055594 /nfs/dbraw/zinc/05/55/94/184055594.db2.gz AVURMAHQLPNVJB-UHFFFAOYSA-N 0 0 302.377 3.890 50 0 DHAARN Cc1ccc(NC(=O)CCCN(C)C(=O)OC(C)(C)C)c(F)c1 ZINC000058045584 184070843 /nfs/dbraw/zinc/07/08/43/184070843.db2.gz PYNCYXXATABWOQ-UHFFFAOYSA-N 0 0 324.396 3.720 50 0 DHAARN COCc1cccc(NC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000058058562 184072336 /nfs/dbraw/zinc/07/23/36/184072336.db2.gz WEYNRAYVTQEOCO-UHFFFAOYSA-N 0 0 310.397 3.686 50 0 DHAARN CC[C@H](C)[C@@H](NCc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000057901111 184061295 /nfs/dbraw/zinc/06/12/95/184061295.db2.gz RCORSZWEMPLIFI-TVQRCGJNSA-N 0 0 304.217 3.671 50 0 DHAARN Cc1noc(C)c1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000058004593 184066291 /nfs/dbraw/zinc/06/62/91/184066291.db2.gz MBTKUWXJMBWLBC-UHFFFAOYSA-N 0 0 313.382 3.976 50 0 DHAARN Cc1cccc(C)c1OCC(=O)N(C)c1ccc(F)c(F)c1 ZINC000058025012 184069256 /nfs/dbraw/zinc/06/92/56/184069256.db2.gz MGDCAAFCKIMRLX-UHFFFAOYSA-N 0 0 305.324 3.623 50 0 DHAARN Cc1nc(CSc2nnc(-c3cccc(C)c3)o2)oc1C ZINC000058161846 184082820 /nfs/dbraw/zinc/08/28/20/184082820.db2.gz WBFKBJCNWBQTKM-UHFFFAOYSA-N 0 0 301.371 3.942 50 0 DHAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCO[C@H](c2ccccc2)C1 ZINC000058168681 184083881 /nfs/dbraw/zinc/08/38/81/184083881.db2.gz NEXDEUHXRIABAH-HIFRSBDPSA-N 0 0 315.417 3.502 50 0 DHAARN COc1ccc(N(C(=O)c2ccc(C)nc2)[C@@H](C)C2CC2)cc1 ZINC000058180589 184085641 /nfs/dbraw/zinc/08/56/41/184085641.db2.gz JPUSRQRRBDZESY-AWEZNQCLSA-N 0 0 310.397 3.844 50 0 DHAARN CSc1ccc(Cl)c(C(=O)N[C@@H](C)c2cnn(C)c2C)c1 ZINC000058244983 184093758 /nfs/dbraw/zinc/09/37/58/184093758.db2.gz XKRIJMSMHDJOHU-VIFPVBQESA-N 0 0 323.849 3.595 50 0 DHAARN C[C@H]1CCCC[C@H]1OCCSc1nnc(C(F)(F)F)n1C ZINC000058245200 184093933 /nfs/dbraw/zinc/09/39/33/184093933.db2.gz BJQUIFSDNUOHNE-VHSXEESVSA-N 0 0 323.384 3.521 50 0 DHAARN COCc1c2ccccc2oc1C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000058141355 184080577 /nfs/dbraw/zinc/08/05/77/184080577.db2.gz UITIMDULDOTTFO-UHFFFAOYSA-N 0 0 313.357 3.678 50 0 DHAARN COc1cccc(OC)c1OCc1nc(-c2ccco2)oc1C ZINC000058356654 184108082 /nfs/dbraw/zinc/10/80/82/184108082.db2.gz JEMIMOCUWOXORT-UHFFFAOYSA-N 0 0 315.325 3.839 50 0 DHAARN C[C@@H]1CCCN(C(=O)CNc2ccc3c4c(cccc42)CC3)C1 ZINC000058380444 184110707 /nfs/dbraw/zinc/11/07/07/184110707.db2.gz PHYKVXJRWSUVHH-CQSZACIVSA-N 0 0 308.425 3.609 50 0 DHAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC000058264923 184095991 /nfs/dbraw/zinc/09/59/91/184095991.db2.gz WEJGXHSGJWEHCX-ONGXEEELSA-N 0 0 308.353 3.767 50 0 DHAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC000058264924 184096136 /nfs/dbraw/zinc/09/61/36/184096136.db2.gz WEJGXHSGJWEHCX-MWLCHTKSSA-N 0 0 308.353 3.767 50 0 DHAARN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000058281771 184099520 /nfs/dbraw/zinc/09/95/20/184099520.db2.gz NNHQNTSPMZWWQM-UHFFFAOYSA-N 0 0 321.783 3.524 50 0 DHAARN COc1ccc(C)cc1C(=O)CSc1nnc(C(C)(C)C)o1 ZINC000058294868 184102081 /nfs/dbraw/zinc/10/20/81/184102081.db2.gz SKJMWDPPTLVWDE-UHFFFAOYSA-N 0 0 320.414 3.659 50 0 DHAARN C[C@@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccco2)n1 ZINC000058299992 184103126 /nfs/dbraw/zinc/10/31/26/184103126.db2.gz 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/nfs/dbraw/zinc/12/70/13/184127013.db2.gz LMQZKQBLVSIAPY-UHFFFAOYSA-N 0 0 323.436 3.972 50 0 DHAARN O=C(NC1CCCCCC1)c1csc(-c2ccccn2)n1 ZINC000058412969 184115007 /nfs/dbraw/zinc/11/50/07/184115007.db2.gz MKNHGBUTODHMLO-UHFFFAOYSA-N 0 0 301.415 3.658 50 0 DHAARN C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(NC(=O)C2CC2)CC1 ZINC000058438800 184118554 /nfs/dbraw/zinc/11/85/54/184118554.db2.gz QVLQFLKIDKREQY-NSHDSACASA-N 0 0 324.827 3.531 50 0 DHAARN Cn1ccc2c1cccc2NC(=O)c1ccc2c(c1)OCCCO2 ZINC000061720379 184185472 /nfs/dbraw/zinc/18/54/72/184185472.db2.gz IWFOBPVNLDMPIF-UHFFFAOYSA-N 0 0 322.364 3.592 50 0 DHAARN Clc1cccc2ncn3nc(Cc4cccs4)nc3c12 ZINC000061720976 184185516 /nfs/dbraw/zinc/18/55/16/184185516.db2.gz QIRBGJHRWBRWGO-UHFFFAOYSA-N 0 0 300.774 3.583 50 0 DHAARN O=C(Nc1ccc2c(c1)CCN2)c1ccccc1Br ZINC000063188049 184277243 /nfs/dbraw/zinc/27/72/43/184277243.db2.gz JLIQTXQBBBPCIH-UHFFFAOYSA-N 0 0 317.186 3.669 50 0 DHAARN O=C(Nc1ccncc1)C1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000064221506 184293215 /nfs/dbraw/zinc/29/32/15/184293215.db2.gz HOHYJQLJOZFWSK-UHFFFAOYSA-N 0 0 324.380 3.651 50 0 DHAARN CCc1cccc(Nc2c3c(nc4nc(C)nn42)CCCC3)c1 ZINC000064449802 184297557 /nfs/dbraw/zinc/29/75/57/184297557.db2.gz ZHPOCSHEWSBIOI-UHFFFAOYSA-N 0 0 307.401 3.618 50 0 DHAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000064472018 184298314 /nfs/dbraw/zinc/29/83/14/184298314.db2.gz FCQHRBHZPGYWKL-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN O=C1c2ccccc2N[C@@H](c2csc(C3CC3)n2)N1C1CC1 ZINC000063494849 184283418 /nfs/dbraw/zinc/28/34/18/184283418.db2.gz MJKHUKQUGKPDGM-OAHLLOKOSA-N 0 0 311.410 3.749 50 0 DHAARN CSc1nnc(CN2c3cccc4cccc(c34)C2=O)s1 ZINC000063510404 184284254 /nfs/dbraw/zinc/28/42/54/184284254.db2.gz QKGATVTVEDZDIR-UHFFFAOYSA-N 0 0 313.407 3.574 50 0 DHAARN CCSc1ccc(NC(=O)c2cc(C)n(CC)c2C)cn1 ZINC000063711187 184286862 /nfs/dbraw/zinc/28/68/62/184286862.db2.gz GRYWALMLGYSROC-UHFFFAOYSA-N 0 0 303.431 3.884 50 0 DHAARN CC(C)c1ccc(NC(=O)c2ccc3oc(=O)n(C)c3c2)cc1 ZINC000064894406 184305923 /nfs/dbraw/zinc/30/59/23/184305923.db2.gz KMOQMQCQTOXZMI-UHFFFAOYSA-N 0 0 310.353 3.507 50 0 DHAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2cccc(OC)c2)on1 ZINC000064984972 184307606 /nfs/dbraw/zinc/30/76/06/184307606.db2.gz LOTBVXACOVDOKO-HNNXBMFYSA-N 0 0 315.373 3.615 50 0 DHAARN O=C(Nc1ccc2ncnc(N3CCCC3)c2c1)c1ccsc1 ZINC000065149074 184311470 /nfs/dbraw/zinc/31/14/70/184311470.db2.gz SGRJPKUKVQVMBO-UHFFFAOYSA-N 0 0 324.409 3.544 50 0 DHAARN CCn1cc2c3c1cccc3CN(C(=O)c1ccccc1F)CC2 ZINC000065148588 184311689 /nfs/dbraw/zinc/31/16/89/184311689.db2.gz WMAUOIMCNDNPBL-UHFFFAOYSA-N 0 0 322.383 3.999 50 0 DHAARN CC(C)C(=O)N1CCC[C@@H](c2ccnc(Nc3ccccc3)n2)C1 ZINC000065147898 184311755 /nfs/dbraw/zinc/31/17/55/184311755.db2.gz ZMGZIBJALDYDEM-OAHLLOKOSA-N 0 0 324.428 3.582 50 0 DHAARN CCn1cc2c3c1cccc3CN(C(=O)c1ccc(F)cc1)CC2 ZINC000065148590 184311801 /nfs/dbraw/zinc/31/18/01/184311801.db2.gz LDZKEJWAHTXGNJ-UHFFFAOYSA-N 0 0 322.383 3.999 50 0 DHAARN Cc1cccc(NC(=O)NCCc2cn(C)c3ncccc23)c1C ZINC000065156402 184312749 /nfs/dbraw/zinc/31/27/49/184312749.db2.gz FBIDNLIAPVPBMT-UHFFFAOYSA-N 0 0 322.412 3.554 50 0 DHAARN O=C(Nc1ccccc1)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC000065164480 184313052 /nfs/dbraw/zinc/31/30/52/184313052.db2.gz CXKOUMJWWWCVCM-GOSISDBHSA-N 0 0 318.380 3.589 50 0 DHAARN O=C1COc2ccc(Cl)cc2CN1CCC1=CCCCC1 ZINC000065184365 184313986 /nfs/dbraw/zinc/31/39/86/184313986.db2.gz YRHKRRHVYOCLJN-UHFFFAOYSA-N 0 0 305.805 3.952 50 0 DHAARN O=C1COc2ccccc2CN1c1cccc(C(F)(F)F)c1 ZINC000065184292 184314026 /nfs/dbraw/zinc/31/40/26/184314026.db2.gz UAFVODBPSVIYMC-UHFFFAOYSA-N 0 0 307.271 3.631 50 0 DHAARN Cc1ccccc1CN1Cc2cc(Cl)ccc2OCC1=O ZINC000065184402 184314198 /nfs/dbraw/zinc/31/41/98/184314198.db2.gz QICQRZUPBYMEKT-UHFFFAOYSA-N 0 0 301.773 3.570 50 0 DHAARN Cc1ccsc1-c1nnc(CC(=O)Nc2ccc(C)cc2)o1 ZINC000065214356 184314711 /nfs/dbraw/zinc/31/47/11/184314711.db2.gz LUSPHVJJUFKIHZ-UHFFFAOYSA-N 0 0 313.382 3.596 50 0 DHAARN Cc1cc(C)cc(NC(=O)Cc2nnc(-c3ccsc3)o2)c1 ZINC000065214148 184314825 /nfs/dbraw/zinc/31/48/25/184314825.db2.gz FLXMNPQNSFVVRU-UHFFFAOYSA-N 0 0 313.382 3.596 50 0 DHAARN O=C(NCCc1ccccc1)c1ccc(-c2ccc(F)cc2)nc1 ZINC000064668950 184302340 /nfs/dbraw/zinc/30/23/40/184302340.db2.gz PSOGHCUQLONXSR-UHFFFAOYSA-N 0 0 320.367 3.860 50 0 DHAARN CCc1nc(-c2ccc(C(=O)NCc3cccnc3)cc2)cs1 ZINC000064677401 184302924 /nfs/dbraw/zinc/30/29/24/184302924.db2.gz HQEISPAERBFOET-UHFFFAOYSA-N 0 0 323.421 3.698 50 0 DHAARN Cn1ccnc1CN(Cc1ccc(-c2ccccn2)cc1)C1CC1 ZINC000065385802 184333203 /nfs/dbraw/zinc/33/32/03/184333203.db2.gz JJZWJZDBBDWFIO-UHFFFAOYSA-N 0 0 318.424 3.647 50 0 DHAARN CCc1nnc2ccc(-c3noc(-c4ccc(C)c(C)c4)n3)cn21 ZINC000065241240 184317873 /nfs/dbraw/zinc/31/78/73/184317873.db2.gz PORNURUTNFEMPB-UHFFFAOYSA-N 0 0 319.368 3.626 50 0 DHAARN CCCCC(=O)N1CCCn2nc(-c3ccc(F)cc3)cc2C1 ZINC000065270262 184320256 /nfs/dbraw/zinc/32/02/56/184320256.db2.gz ULYVWGOPCMQMMK-UHFFFAOYSA-N 0 0 315.392 3.612 50 0 DHAARN Cc1oc(C2CCC2)nc1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000065293569 184323747 /nfs/dbraw/zinc/32/37/47/184323747.db2.gz BOECFNWNHVVZOC-OAHLLOKOSA-N 0 0 311.385 3.623 50 0 DHAARN Cc1cccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)c1 ZINC000065363917 184328743 /nfs/dbraw/zinc/32/87/43/184328743.db2.gz IJDNIBTVSUDCKU-MRXNPFEDSA-N 0 0 303.365 3.655 50 0 DHAARN O=C1CCC[C@@H]1Cc1nc(C2CC2)nn1-c1ccccc1Cl ZINC000065375711 184331110 /nfs/dbraw/zinc/33/11/10/184331110.db2.gz ILUSCQSGWXNNJS-GFCCVEGCSA-N 0 0 315.804 3.710 50 0 DHAARN Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2[C@H](C)C(N)=O)c1 ZINC000065375037 184331552 /nfs/dbraw/zinc/33/15/52/184331552.db2.gz FWVFSQUVPLGZGT-CYBMUJFWSA-N 0 0 323.371 3.711 50 0 DHAARN C[N@H+](Cc1ncccc1C(=O)[O-])C[C@]1(c2ccccc2)CC1(C)C ZINC000065410823 184340094 /nfs/dbraw/zinc/34/00/94/184340094.db2.gz CGXRFPYLRJGRTK-FQEVSTJZSA-N 0 0 324.424 3.580 50 0 DHAARN Cc1ccccc1NCc1nc(CC(C)C)nn1-c1ccccn1 ZINC000065398410 184336503 /nfs/dbraw/zinc/33/65/03/184336503.db2.gz WFJHWNIQJKOQOF-UHFFFAOYSA-N 0 0 321.428 3.781 50 0 DHAARN CSCCc1c(-c2ccccc2)ncn1CC1CCOCC1 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CCn1c(C)cc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1C ZINC000067047595 184447322 /nfs/dbraw/zinc/44/73/22/184447322.db2.gz QSRYKQZQLVUCCC-CQSZACIVSA-N 0 0 317.458 3.601 50 0 DHAARN CCc1ncn(Cc2nc(-c3ccccc3Cl)oc2C)n1 ZINC000067714431 184481977 /nfs/dbraw/zinc/48/19/77/184481977.db2.gz OBHMLFHNUZOHHK-UHFFFAOYSA-N 0 0 302.765 3.506 50 0 DHAARN O=[S@](Cc1ccccc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000069460531 184517275 /nfs/dbraw/zinc/51/72/75/184517275.db2.gz GKKSALXZGRNWAH-FQEVSTJZSA-N 0 0 308.786 3.518 50 0 DHAARN Cc1ccsc1-c1nnc(SCc2noc(C3CC3)n2)o1 ZINC000069560649 184525695 /nfs/dbraw/zinc/52/56/95/184525695.db2.gz SXLZBZXATMVCHA-UHFFFAOYSA-N 0 0 320.399 3.659 50 0 DHAARN Cc1nnc([C@@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)o1 ZINC000069566211 184526669 /nfs/dbraw/zinc/52/66/69/184526669.db2.gz YDNVWXFICIOBCL-SECBINFHSA-N 0 0 316.792 3.632 50 0 DHAARN O=C(Nc1ccsc1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000157431506 197187039 /nfs/dbraw/zinc/18/70/39/197187039.db2.gz VOKSPOIDADNBFI-AWEZNQCLSA-N 0 0 324.352 3.632 50 0 DHAARN 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DHAARN Cc1ccc2nc(-c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 ZINC000000473214 563261233 /nfs/dbraw/zinc/26/12/33/563261233.db2.gz QBOVMUGOUSNISU-UHFFFAOYSA-N 0 0 322.389 3.925 50 0 DHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)o1 ZINC000000473390 563261357 /nfs/dbraw/zinc/26/13/57/563261357.db2.gz BMLQBYPIBFWBOL-UHFFFAOYSA-N 0 0 307.371 3.695 50 0 DHAARN C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000000475093 563261804 /nfs/dbraw/zinc/26/18/04/563261804.db2.gz OPSTWQIUBWCWLG-STQMWFEESA-N 0 0 303.789 3.985 50 0 DHAARN C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000000477886 563262436 /nfs/dbraw/zinc/26/24/36/563262436.db2.gz SMFHRZUUVXKWRZ-INIZCTEOSA-N 0 0 309.409 3.612 50 0 DHAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000000480427 563262453 /nfs/dbraw/zinc/26/24/53/563262453.db2.gz YWVZWIWFDHPCFU-UHFFFAOYSA-N 0 0 318.323 3.956 50 0 DHAARN CC(=O)Nc1ccccc1C(=O)OCc1ccc(Cl)cc1 ZINC000000482439 563262812 /nfs/dbraw/zinc/26/28/12/563262812.db2.gz MMLJAYWTXFVJGI-UHFFFAOYSA-N 0 0 303.745 3.655 50 0 DHAARN NC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCC2 ZINC000000483987 563262936 /nfs/dbraw/zinc/26/29/36/563262936.db2.gz IEBKRRGJLLQDFZ-UHFFFAOYSA-N 0 0 320.458 3.635 50 0 DHAARN CCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000000481321 563263008 /nfs/dbraw/zinc/26/30/08/563263008.db2.gz GKHHWNHOXXWVQR-UHFFFAOYSA-N 0 0 309.291 3.594 50 0 DHAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3F)C2)cc1 ZINC000000506815 563263664 /nfs/dbraw/zinc/26/36/64/563263664.db2.gz NEIQNDZENPMKKY-GOSISDBHSA-N 0 0 312.344 3.532 50 0 DHAARN CC[C@@H](c1nc2ccccc2n1C)[C@@H](O)c1ccc(OC)cc1 ZINC000000517021 563264063 /nfs/dbraw/zinc/26/40/63/563264063.db2.gz LFPMEGRUEKPWFX-QAPCUYQASA-N 0 0 310.397 3.809 50 0 DHAARN Fc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 ZINC000000530256 563264808 /nfs/dbraw/zinc/26/48/08/563264808.db2.gz YGSHWYUCEJZJLY-UHFFFAOYSA-N 0 0 316.405 3.823 50 0 DHAARN COc1cccc(-c2nnc3sc(-c4cccs4)nn32)c1 ZINC000000524122 563264816 /nfs/dbraw/zinc/26/48/16/563264816.db2.gz ILOWTOBIXUUION-UHFFFAOYSA-N 0 0 314.395 3.590 50 0 DHAARN Cc1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1C ZINC000000528201 563264906 /nfs/dbraw/zinc/26/49/06/563264906.db2.gz QNXPODGZKFOQMU-MRXNPFEDSA-N 0 0 311.381 3.862 50 0 DHAARN COc1ccccc1-c1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000000530792 563265216 /nfs/dbraw/zinc/26/52/16/563265216.db2.gz SWKVMKBGADCLQT-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN COc1ccccc1-c1nnc2sc(C3CCCCC3)nn21 ZINC000000533095 563265284 /nfs/dbraw/zinc/26/52/84/563265284.db2.gz JAXNSXQMGQUTTG-UHFFFAOYSA-N 0 0 314.414 3.909 50 0 DHAARN CN1c2ccccc2/C(=C/c2ccc(Br)cc2)C1=O ZINC000000575064 563267714 /nfs/dbraw/zinc/26/77/14/563267714.db2.gz NQKLYDSSGXCLDH-UVTDQMKNSA-N 0 0 314.182 3.966 50 0 DHAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1C ZINC000000575890 563267743 /nfs/dbraw/zinc/26/77/43/563267743.db2.gz IWFVPKMRLCIMJZ-UHFFFAOYSA-N 0 0 303.427 3.827 50 0 DHAARN Cc1cccc(C(=S)N2CCN(c3ccccc3F)CC2)c1 ZINC000000609696 563268135 /nfs/dbraw/zinc/26/81/35/563268135.db2.gz GRNWJARHWBOBGG-UHFFFAOYSA-N 0 0 314.429 3.632 50 0 DHAARN CCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000581936 563268472 /nfs/dbraw/zinc/26/84/72/563268472.db2.gz LVOROODZGSJCJA-UHFFFAOYSA-N 0 0 323.439 3.608 50 0 DHAARN Cc1ccccc1OCc1nn2c(nnc2-c2ccccc2)s1 ZINC000000613712 563269358 /nfs/dbraw/zinc/26/93/58/563269358.db2.gz XPGPBMSYRQFCMX-UHFFFAOYSA-N 0 0 322.393 3.740 50 0 DHAARN Cc1ccc(CSCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000618707 563270284 /nfs/dbraw/zinc/27/02/84/563270284.db2.gz KSUWQNXPIUKXND-UHFFFAOYSA-N 0 0 315.394 3.596 50 0 DHAARN Cc1cccc(C)c1NC(=O)c1cncc(Br)c1 ZINC000000620469 563271219 /nfs/dbraw/zinc/27/12/19/563271219.db2.gz WHDYRYUWVBWEOL-UHFFFAOYSA-N 0 0 305.175 3.713 50 0 DHAARN S=C1N=NC(c2cccnc2)N1c1cccc2ccccc21 ZINC000000803237 563271894 /nfs/dbraw/zinc/27/18/94/563271894.db2.gz VBWXCXRWTDDZNC-UHFFFAOYSA-N 0 0 304.378 3.771 50 0 DHAARN CCOc1cccc2sc(N(Cc3ccco3)C(C)=O)nc21 ZINC000010527381 563272427 /nfs/dbraw/zinc/27/24/27/563272427.db2.gz GLLKHBOYKIELGQ-UHFFFAOYSA-N 0 0 316.382 3.841 50 0 DHAARN C[C@H]1CCCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000000830001 563272477 /nfs/dbraw/zinc/27/24/77/563272477.db2.gz CSHQNBUEFJQXNP-JTQLQIEISA-N 0 0 302.201 3.773 50 0 DHAARN C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1CCCO1 ZINC000001055020 563276380 /nfs/dbraw/zinc/27/63/80/563276380.db2.gz QLJCHCVBPNEBCI-BBRMVZONSA-N 0 0 323.392 3.608 50 0 DHAARN CCCc1cc(C(=O)Nc2cc(OC)ccc2OC)cs1 ZINC000001055833 563276487 /nfs/dbraw/zinc/27/64/87/563276487.db2.gz KXKIJEKATXOQIE-UHFFFAOYSA-N 0 0 305.399 3.970 50 0 DHAARN COc1ccccc1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001204972 563279213 /nfs/dbraw/zinc/27/92/13/563279213.db2.gz DMMNGWBJQIRQQK-UHFFFAOYSA-N 0 0 309.287 3.895 50 0 DHAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5n[nH]cc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000015321140 563279914 /nfs/dbraw/zinc/27/99/14/563279914.db2.gz GZCJWTCFQKPYQN-SIFAYJNMSA-N 0 0 314.473 3.728 50 0 DHAARN Cc1cccc(N[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000001232458 563279975 /nfs/dbraw/zinc/27/99/75/563279975.db2.gz YCPIZUAXBCLQLU-HNNXBMFYSA-N 0 0 312.394 3.941 50 0 DHAARN CCOC(=O)c1cnc(SC)nc1Nc1ccc(C)cc1C ZINC000001230157 563280358 /nfs/dbraw/zinc/28/03/58/563280358.db2.gz VDBZKQNMMSXZJC-UHFFFAOYSA-N 0 0 317.414 3.736 50 0 DHAARN COC(=O)CSc1cccc2c1C(=O)C[C@H]2c1ccccc1 ZINC000001383518 563281456 /nfs/dbraw/zinc/28/14/56/563281456.db2.gz XTTMBWTZOBSVCS-AWEZNQCLSA-N 0 0 312.390 3.670 50 0 DHAARN CSc1ccsc1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000071886016 563282090 /nfs/dbraw/zinc/28/20/90/563282090.db2.gz UFMGXPSUNCNKTH-UHFFFAOYSA-N 0 0 316.411 3.507 50 0 DHAARN O=S(=O)(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000001392020 563282106 /nfs/dbraw/zinc/28/21/06/563282106.db2.gz HRARYFALNCQJJX-UHFFFAOYSA-N 0 0 321.707 3.587 50 0 DHAARN COc1ccc(C(=O)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001391639 563282134 /nfs/dbraw/zinc/28/21/34/563282134.db2.gz ZMSFSDSRGJXWRM-UHFFFAOYSA-N 0 0 315.678 3.993 50 0 DHAARN Cn1nc(-c2ccccc2)c([C@@H](O)c2cccs2)c1Cl ZINC000001392064 563282254 /nfs/dbraw/zinc/28/22/54/563282254.db2.gz IXENXWCHAVNGCN-AWEZNQCLSA-N 0 0 304.802 3.884 50 0 DHAARN Nn1c(SCc2ccccc2Cl)nnc1-c1cccs1 ZINC000001406871 563283399 /nfs/dbraw/zinc/28/33/99/563283399.db2.gz QGFDKHAVAAIMFB-UHFFFAOYSA-N 0 0 322.846 3.666 50 0 DHAARN Cc1nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2o1 ZINC000001446020 563283429 /nfs/dbraw/zinc/28/34/29/563283429.db2.gz RSLLEUSCBCLNRR-UHFFFAOYSA-N 0 0 319.364 3.590 50 0 DHAARN Cc1ccc(N2C(=O)S[C@H](Nc3cccc(C)c3)C2=O)cc1 ZINC000001516280 563284633 /nfs/dbraw/zinc/28/46/33/563284633.db2.gz TZCKPTPOULWSAJ-HNNXBMFYSA-N 0 0 312.394 3.941 50 0 DHAARN CC[C@@H](C)c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000071889948 563299504 /nfs/dbraw/zinc/29/95/04/563299504.db2.gz UXHISJHHQFRYQY-GFCCVEGCSA-N 0 0 304.365 3.819 50 0 DHAARN Cc1cc(C)n(C(=O)CCCOc2ccc(Cl)cc2C)n1 ZINC000002080205 563299540 /nfs/dbraw/zinc/29/95/40/563299540.db2.gz CICZXLFKWARUFC-UHFFFAOYSA-N 0 0 306.793 3.961 50 0 DHAARN C[C@@H]1C[C@H]1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000071889983 563299545 /nfs/dbraw/zinc/29/95/45/563299545.db2.gz ZCJIXCQYTIIGJN-BXUZGUMPSA-N 0 0 318.804 3.943 50 0 DHAARN C[C@H]1C[C@H]1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000071889984 563299586 /nfs/dbraw/zinc/29/95/86/563299586.db2.gz ZCJIXCQYTIIGJN-SMDDNHRTSA-N 0 0 318.804 3.943 50 0 DHAARN CSc1ccccc1C(=O)NCCOc1c(C)cccc1C ZINC000002190721 563301644 /nfs/dbraw/zinc/30/16/44/563301644.db2.gz KPORBJMKZCYWLA-UHFFFAOYSA-N 0 0 315.438 3.834 50 0 DHAARN COC[C@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002312259 563303003 /nfs/dbraw/zinc/30/30/03/563303003.db2.gz GYQWAGJOYBEIHA-YOEHRIQHSA-N 0 0 315.438 3.671 50 0 DHAARN COc1ccccc1-c1nc(SCc2ccccc2F)n[nH]1 ZINC000002478121 563303505 /nfs/dbraw/zinc/30/35/05/563303505.db2.gz WTUZLJHVBGRLEH-UHFFFAOYSA-N 0 0 315.373 3.912 50 0 DHAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)(C)C)cc1 ZINC000002464549 563303662 /nfs/dbraw/zinc/30/36/62/563303662.db2.gz NESATMDSSBDJEH-UHFFFAOYSA-N 0 0 317.454 3.984 50 0 DHAARN O=c1[nH]c(-c2ccc(Br)cc2)cn1-c1ccccc1 ZINC000002466181 563303904 /nfs/dbraw/zinc/30/39/04/563303904.db2.gz FHDQWWYLOLAEEY-UHFFFAOYSA-N 0 0 315.170 3.595 50 0 DHAARN CCOC(=O)c1ccccc1C(=O)CCc1ccc(F)cc1 ZINC000002517377 563306694 /nfs/dbraw/zinc/30/66/94/563306694.db2.gz DTMCJPBGKBMXOS-UHFFFAOYSA-N 0 0 300.329 3.818 50 0 DHAARN Cc1ccccc1-n1ncc(C(=O)c2ccc(Cl)cc2)c1N ZINC000002522175 563307919 /nfs/dbraw/zinc/30/79/19/563307919.db2.gz VQROCVVBADQEIR-UHFFFAOYSA-N 0 0 311.772 3.647 50 0 DHAARN Cc1sc(N)c(C(N)=O)c1-c1ccc(Cl)cc1Cl ZINC000002584876 563310637 /nfs/dbraw/zinc/31/06/37/563310637.db2.gz KBGKOTUVUZBOFQ-UHFFFAOYSA-N 0 0 301.198 3.711 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1 ZINC000002620995 563311364 /nfs/dbraw/zinc/31/13/64/563311364.db2.gz IYCYLZKERHTNJK-UHFFFAOYSA-N 0 0 319.364 3.754 50 0 DHAARN COCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002743621 563312644 /nfs/dbraw/zinc/31/26/44/563312644.db2.gz QAFJWIUSBILAMH-UHFFFAOYSA-N 0 0 312.394 3.857 50 0 DHAARN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000002851507 563314827 /nfs/dbraw/zinc/31/48/27/563314827.db2.gz ZHJNMUGAYXTXEV-CQSZACIVSA-N 0 0 324.424 3.800 50 0 DHAARN COc1cc(C)ccc1OCCOc1ccc(C=O)cc1Cl ZINC000002866750 563315473 /nfs/dbraw/zinc/31/54/73/563315473.db2.gz QLSNZOHBYSNDRJ-UHFFFAOYSA-N 0 0 320.772 3.927 50 0 DHAARN O=Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000002869327 563315538 /nfs/dbraw/zinc/31/55/38/563315538.db2.gz NIPGCGRYZHTRCC-UHFFFAOYSA-N 0 0 323.270 3.535 50 0 DHAARN Nc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1 ZINC000002867171 563315601 /nfs/dbraw/zinc/31/56/01/563315601.db2.gz MBBRCWANRJMRGC-UHFFFAOYSA-N 0 0 324.818 3.721 50 0 DHAARN CCOc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C ZINC000002884942 563316855 /nfs/dbraw/zinc/31/68/55/563316855.db2.gz BMITWSUBFVCBOY-UHFFFAOYSA-N 0 0 323.389 3.642 50 0 DHAARN CCOc1nc(SC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002884680 563316875 /nfs/dbraw/zinc/31/68/75/563316875.db2.gz MPEFMNNWVZBUAM-UHFFFAOYSA-N 0 0 310.444 3.663 50 0 DHAARN c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)nc1 ZINC000002954845 563318101 /nfs/dbraw/zinc/31/81/01/563318101.db2.gz PZRSMFSFGSPBGR-UHFFFAOYSA-N 0 0 303.321 3.864 50 0 DHAARN COc1cc(C=O)ccc1OCCCOc1ccccc1C ZINC000002985435 563319246 /nfs/dbraw/zinc/31/92/46/563319246.db2.gz QIYZREMXBDBBHV-UHFFFAOYSA-N 0 0 300.354 3.664 50 0 DHAARN COc1cc(C=O)ccc1OCCCOc1cccc(C)c1C ZINC000002985845 563319463 /nfs/dbraw/zinc/31/94/63/563319463.db2.gz QHKNRVUINAIRED-UHFFFAOYSA-N 0 0 314.381 3.972 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000002988534 563319927 /nfs/dbraw/zinc/31/99/27/563319927.db2.gz KDWKFWGVIILFKW-OAHLLOKOSA-N 0 0 304.434 3.575 50 0 DHAARN COc1ccccc1OCCCn1cc(C=O)c2ccccc21 ZINC000002994247 563320681 /nfs/dbraw/zinc/32/06/81/563320681.db2.gz VJPMJSGXFOFRBL-UHFFFAOYSA-N 0 0 309.365 3.932 50 0 DHAARN CCCCN(CCCC)C(=S)NC(=O)c1ccc(F)cc1 ZINC000002997837 563320689 /nfs/dbraw/zinc/32/06/89/563320689.db2.gz UDSSMCOYNONLDP-UHFFFAOYSA-N 0 0 310.438 3.743 50 0 DHAARN CCCCOc1ccc(C(=O)NCCOc2ccccc2)cc1 ZINC000003148415 563323134 /nfs/dbraw/zinc/32/31/34/563323134.db2.gz YBQFJOBJPFFGGT-UHFFFAOYSA-N 0 0 313.397 3.674 50 0 DHAARN O=C(c1cn2cc(-c3ccccc3)ccc2n1)N1CCCCC1 ZINC000034830987 563323539 /nfs/dbraw/zinc/32/35/39/563323539.db2.gz RQJQBEDMERVULS-UHFFFAOYSA-N 0 0 305.381 3.627 50 0 DHAARN O=C1C=CC(=O)N1c1ccccc1Sc1ccc(Cl)cc1 ZINC000003273936 563323774 /nfs/dbraw/zinc/32/37/74/563323774.db2.gz ZPVQRBCEYPFUQE-UHFFFAOYSA-N 0 0 315.781 3.921 50 0 DHAARN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C1CCC1 ZINC000034795110 563323946 /nfs/dbraw/zinc/32/39/46/563323946.db2.gz HATNIUKSBLPIEG-UHFFFAOYSA-N 0 0 301.365 3.907 50 0 DHAARN COc1ccc(-c2nc(COc3ccccc3Cl)no2)cc1 ZINC000034906895 563324542 /nfs/dbraw/zinc/32/45/42/563324542.db2.gz YYNDHLOLKTXOSB-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN CCCn1nc(-c2cc(C)sc2C)cc1C(=O)NCC1CC1 ZINC000034902490 563325353 /nfs/dbraw/zinc/32/53/53/563325353.db2.gz FZDVBDJRTYHHRA-UHFFFAOYSA-N 0 0 317.458 3.778 50 0 DHAARN CSc1ccc(C)c(C(=O)Nc2cccc([S@@](C)=O)c2)c1 ZINC000071893531 563325590 /nfs/dbraw/zinc/32/55/90/563325590.db2.gz CCVMFZXLSDNKKR-NRFANRHFSA-N 0 0 319.451 3.707 50 0 DHAARN Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)o1 ZINC000003491209 563325641 /nfs/dbraw/zinc/32/56/41/563325641.db2.gz QWYINRZMJJWMTH-UHFFFAOYSA-N 0 0 318.804 3.512 50 0 DHAARN CC(C)(C)CN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000071894150 563325849 /nfs/dbraw/zinc/32/58/49/563325849.db2.gz JNICYNLABXSHNO-STQMWFEESA-N 0 0 314.351 3.622 50 0 DHAARN Cc1cnc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)s1 ZINC000010556094 563327122 /nfs/dbraw/zinc/32/71/22/563327122.db2.gz GOUZKTSLFMEFTO-UHFFFAOYSA-N 0 0 312.398 3.506 50 0 DHAARN O=C(C[C@H]1CC(=O)Oc2ccccc21)Nc1ccc(Cl)cc1 ZINC000005078291 563328943 /nfs/dbraw/zinc/32/89/43/563328943.db2.gz VSVKPAQMQAMDTM-NSHDSACASA-N 0 0 315.756 3.762 50 0 DHAARN CCCCCCN1C(=S)N=NC1COc1ccccc1F ZINC000006172772 563332054 /nfs/dbraw/zinc/33/20/54/563332054.db2.gz SRDLGBZUQKBYBB-UHFFFAOYSA-N 0 0 309.410 3.865 50 0 DHAARN Cc1noc(C)c1CCC(=O)N1CC[C@@H](C)CC[C@H]1C(C)C ZINC000071910113 563333167 /nfs/dbraw/zinc/33/31/67/563333167.db2.gz BLQIUAXZJDITEM-GUYCJALGSA-N 0 0 306.450 3.897 50 0 DHAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)NC1CCCCC1 ZINC000006745075 563334103 /nfs/dbraw/zinc/33/41/03/563334103.db2.gz BUBYTDSMOZRBFS-QGZVFWFLSA-N 0 0 318.417 3.699 50 0 DHAARN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N(C)CCO ZINC000071911838 563334355 /nfs/dbraw/zinc/33/43/55/563334355.db2.gz CMABLZUPBZLIMQ-UHFFFAOYSA-N 0 0 318.804 3.771 50 0 DHAARN COc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3O)on2)c1 ZINC000006872198 563334403 /nfs/dbraw/zinc/33/44/03/563334403.db2.gz XAWDAEQKYKYGOV-UHFFFAOYSA-N 0 0 324.336 3.617 50 0 DHAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2F)no1 ZINC000006872831 563334679 /nfs/dbraw/zinc/33/46/79/563334679.db2.gz GXDCUIFPZRFLCY-UHFFFAOYSA-N 0 0 310.328 3.753 50 0 DHAARN Cc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1 ZINC000002645768 563337181 /nfs/dbraw/zinc/33/71/81/563337181.db2.gz NGSIDMTWIVAIGO-UHFFFAOYSA-N 0 0 316.357 3.761 50 0 DHAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000097372409 563337424 /nfs/dbraw/zinc/33/74/24/563337424.db2.gz LZYILCQQIVOTQQ-BMLIUANNSA-N 0 0 315.392 3.537 50 0 DHAARN O=S(=O)(/C=C/c1ccccc1)Nc1cccc2cccnc21 ZINC000007709445 563341199 /nfs/dbraw/zinc/34/11/99/563341199.db2.gz JSBJTOOYLBVNCZ-ACCUITESSA-N 0 0 310.378 3.647 50 0 DHAARN C[C@]1(C(=O)Nc2nc3ccccc3s2)CC1(Cl)Cl ZINC000002772782 563341947 /nfs/dbraw/zinc/34/19/47/563341947.db2.gz GTKGWZZHPKVQAB-LLVKDONJSA-N 0 0 301.198 3.819 50 0 DHAARN Cc1ccc(NC(=O)c2ccn(COc3ccccc3)n2)cc1C ZINC000002798009 563342641 /nfs/dbraw/zinc/34/26/41/563342641.db2.gz AWHOFVFUXTUNQZ-UHFFFAOYSA-N 0 0 321.380 3.789 50 0 DHAARN O=C(NCc1cccnc1)c1cc2c(s1)CCCCCC2 ZINC000008156544 563344744 /nfs/dbraw/zinc/34/47/44/563344744.db2.gz RFXXRKNMVUPYQM-UHFFFAOYSA-N 0 0 300.427 3.732 50 0 DHAARN COC(=O)[C@H](C)OC(=O)c1cc2sc3ccccc3c2s1 ZINC000010596133 563344868 /nfs/dbraw/zinc/34/48/68/563344868.db2.gz SSICIDMEOARPBO-QMMMGPOBSA-N 0 0 320.391 3.834 50 0 DHAARN CC(=O)N[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000003014769 563345431 /nfs/dbraw/zinc/34/54/31/563345431.db2.gz FSNZKZNYMJXONH-MRXNPFEDSA-N 0 0 319.813 3.777 50 0 DHAARN Cc1ccccc1N[C@H]1SC(=O)N(c2ccccc2C)C1=O ZINC000008416180 563347183 /nfs/dbraw/zinc/34/71/83/563347183.db2.gz VTSNPOYGZGTROP-HNNXBMFYSA-N 0 0 312.394 3.941 50 0 DHAARN CC(C)N=c1ccccn1C(=O)c1cc2c(s1)CCCCC2 ZINC000022698413 563347456 /nfs/dbraw/zinc/34/74/56/563347456.db2.gz QSYDMFOLYVDWPY-UHFFFAOYSA-N 0 0 314.454 3.816 50 0 DHAARN O=S(=O)(/C=C\c1ccccc1)c1ccc(Br)cc1 ZINC000097427002 563348678 /nfs/dbraw/zinc/34/86/78/563348678.db2.gz OQZPIIREIILYLV-KHPPLWFESA-N 0 0 323.211 3.894 50 0 DHAARN C[C@@]1(C(=O)Nc2ccc(-c3cnco3)cc2)CC1(Cl)Cl ZINC000097444315 563349336 /nfs/dbraw/zinc/34/93/36/563349336.db2.gz HYKJDZTZFUVJPJ-ZDUSSCGKSA-N 0 0 311.168 3.864 50 0 DHAARN CC(C)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000008714187 563349424 /nfs/dbraw/zinc/34/94/24/563349424.db2.gz VRAJQEYGSDVPNX-UHFFFAOYSA-N 0 0 315.800 3.957 50 0 DHAARN CCc1c(C(=O)Nc2ccc(C)cc2C)cnn1-c1ccccn1 ZINC000008715219 563349453 /nfs/dbraw/zinc/34/94/53/563349453.db2.gz NEWUHAWMDMUFKR-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000008746340 563349577 /nfs/dbraw/zinc/34/95/77/563349577.db2.gz VOORZJTUKAMZSN-LLVKDONJSA-N 0 0 303.793 3.602 50 0 DHAARN CC1CCC(NC(=O)c2ccc(F)cc2Br)CC1 ZINC000014246048 563399672 /nfs/dbraw/zinc/39/96/72/563399672.db2.gz NXLPUACFXMVWHH-UHFFFAOYSA-N 0 0 314.198 3.897 50 0 DHAARN O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)n1cccc1 ZINC000008904911 563351491 /nfs/dbraw/zinc/35/14/91/563351491.db2.gz IWAAZGNCICEKKZ-HXUWFJFHSA-N 0 0 318.420 3.631 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000009364652 563353795 /nfs/dbraw/zinc/35/37/95/563353795.db2.gz PJTYWGVUMXYRCK-UHFFFAOYSA-N 0 0 316.788 3.870 50 0 DHAARN CC(C)(C)C(=O)Nc1nnc(CCCc2ccccc2)s1 ZINC000009582160 563353863 /nfs/dbraw/zinc/35/38/63/563353863.db2.gz FARZTKJRJGJJRK-UHFFFAOYSA-N 0 0 303.431 3.698 50 0 DHAARN CCCCC(=O)Nc1nnc(CSc2ccccc2)s1 ZINC000009668486 563353889 /nfs/dbraw/zinc/35/38/89/563353889.db2.gz HILINIJPCUJCKB-UHFFFAOYSA-N 0 0 307.444 3.959 50 0 DHAARN CC(C)CN1C(=O)S[C@H](Nc2ccc(F)c(Cl)c2)C1=O ZINC000010152113 563355391 /nfs/dbraw/zinc/35/53/91/563355391.db2.gz CGEYWOMNRSWZPK-NSHDSACASA-N 0 0 316.785 3.569 50 0 DHAARN CC(C)c1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000010330685 563355990 /nfs/dbraw/zinc/35/59/90/563355990.db2.gz RWZKYMACYRBDQZ-UHFFFAOYSA-N 0 0 322.408 3.728 50 0 DHAARN Cc1ccccc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000010296404 563356319 /nfs/dbraw/zinc/35/63/19/563356319.db2.gz QOBYWDNKXQGKOJ-QGZVFWFLSA-N 0 0 311.381 3.805 50 0 DHAARN CC(C)=CC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000011753719 563358896 /nfs/dbraw/zinc/35/88/96/563358896.db2.gz KRDHDEBARKJIRP-KRWDZBQOSA-N 0 0 323.440 3.949 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000011847364 563359828 /nfs/dbraw/zinc/35/98/28/563359828.db2.gz UCCZEJKEPKONPP-QTJFZDIUSA-N 0 0 311.425 3.750 50 0 biogenic DHAARN O=C(c1ccco1)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000011872931 563360337 /nfs/dbraw/zinc/36/03/37/563360337.db2.gz ULNJYDIPGLRETF-AWEZNQCLSA-N 0 0 301.361 3.904 50 0 DHAARN Cc1cccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000012112963 563361864 /nfs/dbraw/zinc/36/18/64/563361864.db2.gz GVKVINJELRNYME-AWEZNQCLSA-N 0 0 316.357 3.772 50 0 DHAARN CCCc1noc(CN2CCCC[C@H]2c2cccc(OC)c2)n1 ZINC000012058144 563361933 /nfs/dbraw/zinc/36/19/33/563361933.db2.gz PQBOVUBXGBQHAA-INIZCTEOSA-N 0 0 315.417 3.758 50 0 DHAARN Cc1cccc(N[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000012112962 563362027 /nfs/dbraw/zinc/36/20/27/563362027.db2.gz GVKVINJELRNYME-CQSZACIVSA-N 0 0 316.357 3.772 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000012138643 563362275 /nfs/dbraw/zinc/36/22/75/563362275.db2.gz RWNJKZOZWFIQNF-ZDUSSCGKSA-N 0 0 311.385 3.859 50 0 DHAARN CCCCNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000012138313 563362669 /nfs/dbraw/zinc/36/26/69/563362669.db2.gz XOOVOMOCUXCVIW-UHFFFAOYSA-N 0 0 310.397 3.777 50 0 DHAARN O=C1S[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 ZINC000012289113 563365694 /nfs/dbraw/zinc/36/56/94/563365694.db2.gz FYIKZZKVSJQQTI-ZDUSSCGKSA-N 0 0 320.320 3.603 50 0 DHAARN CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(C)=O ZINC000012321961 563366324 /nfs/dbraw/zinc/36/63/24/563366324.db2.gz VRGSYEUBOQWAJP-UHFFFAOYSA-N 0 0 310.275 3.605 50 0 DHAARN Brc1cncc(-c2ccc(Br)nc2)c1 ZINC000012359447 563367111 /nfs/dbraw/zinc/36/71/11/563367111.db2.gz IMGBTSYZPFNIKJ-UHFFFAOYSA-N 0 0 313.980 3.669 50 0 DHAARN CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000012380932 563367579 /nfs/dbraw/zinc/36/75/79/563367579.db2.gz FEZWRXYSYPXAFG-NSHDSACASA-N 0 0 305.374 3.954 50 0 DHAARN Cc1cc(C)cc(Nc2cc(C)nc3nc(C(F)(F)F)nn32)c1 ZINC000012421738 563369160 /nfs/dbraw/zinc/36/91/60/563369160.db2.gz OINUBRUVZASSAQ-UHFFFAOYSA-N 0 0 321.306 3.812 50 0 DHAARN Cc1ccc([C@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 ZINC000012469293 563369758 /nfs/dbraw/zinc/36/97/58/563369758.db2.gz ZVZGXJRCSKRLIN-SJORKVTESA-N 0 0 319.412 3.623 50 0 aggregator DHAARN CC(C)[C@H]1CN(Cc2ccccc2)[C@]2(C)c3ccccc3C(=O)N12 ZINC000032602390 563371612 /nfs/dbraw/zinc/37/16/12/563371612.db2.gz VYARWIQLNHRAML-CTNGQTDRSA-N 0 0 320.436 3.856 50 0 DHAARN O=C(CC1CC1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000012709639 563372432 /nfs/dbraw/zinc/37/24/32/563372432.db2.gz JLTHSIBSEPVYEK-AWEZNQCLSA-N 0 0 307.384 3.936 50 0 DHAARN O=C1NC(=S)SC1=Cc1ccc(Br)cc1 ZINC000012689715 563372695 /nfs/dbraw/zinc/37/26/95/563372695.db2.gz ZVYBZARCCHWNBP-YVMONPNESA-N 0 0 300.202 3.778 50 0 DHAARN COc1ccc(NC(=O)c2c(C)noc2-c2ccccc2)cc1 ZINC000032624560 563372944 /nfs/dbraw/zinc/37/29/44/563372944.db2.gz QKHUSGNPDNMIDW-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1 ZINC000032633401 563373070 /nfs/dbraw/zinc/37/30/70/563373070.db2.gz KBIZGIYGLLJJED-UHFFFAOYSA-N 0 0 324.405 3.910 50 0 DHAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000032623864 563373237 /nfs/dbraw/zinc/37/32/37/563373237.db2.gz QMUHHADFEJIZBY-UHFFFAOYSA-N 0 0 323.352 3.761 50 0 DHAARN CC(C)(C)c1ccc(Cn2nc(-c3cccs3)oc2=O)cc1 ZINC000012798455 563374136 /nfs/dbraw/zinc/37/41/36/563374136.db2.gz WWGYINJSVFPGRO-UHFFFAOYSA-N 0 0 314.410 3.911 50 0 DHAARN CCN(Cc1nonc1C)C(=O)C1CCC(C(C)(C)C)CC1 ZINC000032648321 563374897 /nfs/dbraw/zinc/37/48/97/563374897.db2.gz PIFDIZQZKXKDJR-UHFFFAOYSA-N 0 0 307.438 3.579 50 0 DHAARN Cc1ccc(NC(=O)COc2ccc(F)cc2F)c(Cl)c1 ZINC000032672233 563375224 /nfs/dbraw/zinc/37/52/24/563375224.db2.gz RYDJMEURXYENDD-UHFFFAOYSA-N 0 0 311.715 3.944 50 0 DHAARN O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)cc1 ZINC000012976992 563376156 /nfs/dbraw/zinc/37/61/56/563376156.db2.gz LHNBALXKWUIZKD-UHFFFAOYSA-N 0 0 316.351 3.568 50 0 DHAARN O=C(Cc1cccs1)Nc1ncc(Cc2ccccc2)s1 ZINC000012986773 563376501 /nfs/dbraw/zinc/37/65/01/563376501.db2.gz YKOUCMDUDMQUFF-UHFFFAOYSA-N 0 0 314.435 3.977 50 0 DHAARN Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1C ZINC000012997635 563376937 /nfs/dbraw/zinc/37/69/37/563376937.db2.gz ZCSHGSKARNDYFN-UHFFFAOYSA-N 0 0 316.426 3.514 50 0 DHAARN C[C@@H](OC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1 ZINC000013004217 563377448 /nfs/dbraw/zinc/37/74/48/563377448.db2.gz RIMALHFZXDOGFM-GFCCVEGCSA-N 0 0 307.365 3.666 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCc2sccc2C1 ZINC000013001781 563377610 /nfs/dbraw/zinc/37/76/10/563377610.db2.gz QGBVQBYUZNTRER-UHFFFAOYSA-N 0 0 310.422 3.779 50 0 DHAARN C[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccc(F)cc1F ZINC000032696850 563377630 /nfs/dbraw/zinc/37/76/30/563377630.db2.gz DWHQIWGZVWZORD-STQMWFEESA-N 0 0 319.351 3.747 50 0 DHAARN Cc1cc2n(n1)[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 ZINC000013123881 563378323 /nfs/dbraw/zinc/37/83/23/563378323.db2.gz ONWDLTBSWXSNBZ-SFHVURJKSA-N 0 0 305.337 3.560 50 0 DHAARN Fc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 ZINC000013127442 563378571 /nfs/dbraw/zinc/37/85/71/563378571.db2.gz IFONQRWGEAJRGE-HOTGVXAUSA-N 0 0 312.323 3.703 50 0 DHAARN O=C(Cn1c2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000013139577 563379361 /nfs/dbraw/zinc/37/93/61/563379361.db2.gz ITWSZJWNIIQOHB-UHFFFAOYSA-N 0 0 319.408 3.910 50 0 DHAARN COc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 ZINC000013141582 563379642 /nfs/dbraw/zinc/37/96/42/563379642.db2.gz XWOJNNBQCAPJOC-UHFFFAOYSA-N 0 0 314.366 3.974 50 0 DHAARN COc1ccc(OC)c([C@H](C)NC(=O)c2csc(C)c2)c1 ZINC000013328844 563380670 /nfs/dbraw/zinc/38/06/70/563380670.db2.gz IVTXPXFXDLUJPC-NSHDSACASA-N 0 0 305.399 3.565 50 0 DHAARN O=C(Cc1cccs1)NCc1ccc(Cl)c(Cl)c1 ZINC000013327769 563380749 /nfs/dbraw/zinc/38/07/49/563380749.db2.gz AIIXFFFCLIHRRG-UHFFFAOYSA-N 0 0 300.210 3.914 50 0 DHAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cccnc1 ZINC000013327016 563380853 /nfs/dbraw/zinc/38/08/53/563380853.db2.gz SESWSQALQQDVON-UHFFFAOYSA-N 0 0 318.398 3.696 50 0 DHAARN Cc1cc(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)no1 ZINC000013327266 563380919 /nfs/dbraw/zinc/38/09/19/563380919.db2.gz JVLLVEDMOWHIRR-QMMMGPOBSA-N 0 0 315.156 3.696 50 0 DHAARN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCCCCC1 ZINC000032716532 563382175 /nfs/dbraw/zinc/38/21/75/563382175.db2.gz UGFUPHCVXZTCGW-UHFFFAOYSA-N 0 0 303.793 3.746 50 0 DHAARN 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DHAARN Cc1ccc2nc(C)c(C(=O)N(C)[C@H](C)c3ccon3)cc2c1 ZINC000055413237 563475048 /nfs/dbraw/zinc/47/50/48/563475048.db2.gz KDRPHFVUDUTQNU-CYBMUJFWSA-N 0 0 309.369 3.673 50 0 DHAARN CC(=O)c1cc(CN(Cc2ccccc2)C[C@H](C)CO)cs1 ZINC000055392807 563475119 /nfs/dbraw/zinc/47/51/19/563475119.db2.gz WABAFXUBOSTCRM-AWEZNQCLSA-N 0 0 317.454 3.581 50 0 DHAARN Fc1ccccc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000055544059 563475937 /nfs/dbraw/zinc/47/59/37/563475937.db2.gz KSDRURNLGLVCQX-UHFFFAOYSA-N 0 0 304.796 3.801 50 0 DHAARN CC(C)(NC(=O)CSCc1ccncc1)c1cccc(F)c1 ZINC000096413191 563480503 /nfs/dbraw/zinc/48/05/03/563480503.db2.gz QSCXTABOIWICQY-UHFFFAOYSA-N 0 0 318.417 3.505 50 0 DHAARN c1cc(CN2CCCC[C@H]2c2nncn2-c2ccccc2)co1 ZINC000097941595 563480784 /nfs/dbraw/zinc/48/07/84/563480784.db2.gz HZLLIOIFBYFTSM-KRWDZBQOSA-N 0 0 308.385 3.588 50 0 DHAARN O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccsc1 ZINC000096417221 563481034 /nfs/dbraw/zinc/48/10/34/563481034.db2.gz ZOBDFFAFWDZGHP-CYBMUJFWSA-N 0 0 320.389 3.730 50 0 DHAARN CCc1nc(C)c([C@@H](C)N(C)Cc2nnc(C(C)C)o2)s1 ZINC000096424508 563481722 /nfs/dbraw/zinc/48/17/22/563481722.db2.gz YVYQHIXWBOFHSG-LLVKDONJSA-N 0 0 308.451 3.713 50 0 DHAARN C[C@@H]1CCN(C(=O)[C@@H]2CC2(Cl)Cl)[C@H](c2ccco2)C1 ZINC000096441242 563482130 /nfs/dbraw/zinc/48/21/30/563482130.db2.gz ZRSZAQWZFHIODT-VWYCJHECSA-N 0 0 302.201 3.773 50 0 DHAARN O=C(NCc1ccc(-c2cccnc2)cc1)[C@H]1CC1(Cl)Cl ZINC000096433311 563482180 /nfs/dbraw/zinc/48/21/80/563482180.db2.gz UWNSVOMMPHYERD-CQSZACIVSA-N 0 0 321.207 3.559 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2csc(C)n2)o1 ZINC000096433138 563482184 /nfs/dbraw/zinc/48/21/84/563482184.db2.gz BCOMUKSEIAOLLM-NHYWBVRUSA-N 0 0 318.442 3.895 50 0 DHAARN COc1ccc(NC(=O)N[C@@H](c2nccs2)C2CC2)cc1C ZINC000096434229 563482232 /nfs/dbraw/zinc/48/22/32/563482232.db2.gz RXKOCHOPQLFJLH-CQSZACIVSA-N 0 0 317.414 3.733 50 0 DHAARN Cc1nc(CC(=O)N2C[C@@H](C)Sc3ccccc32)cs1 ZINC000096461670 563483467 /nfs/dbraw/zinc/48/34/67/563483467.db2.gz LUTFDWMEOPOAOH-SNVBAGLBSA-N 0 0 304.440 3.521 50 0 DHAARN CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)C(C)(C)C)cc1 ZINC000096461633 563483507 /nfs/dbraw/zinc/48/35/07/563483507.db2.gz URAUURGOZFRXBF-UHFFFAOYSA-N 0 0 320.433 3.738 50 0 DHAARN CC(C)(C)c1nnc(CSCCOc2cccc(F)c2)o1 ZINC000096467791 563483510 /nfs/dbraw/zinc/48/35/10/563483510.db2.gz BIXBOIHNLDFQOZ-UHFFFAOYSA-N 0 0 310.394 3.818 50 0 DHAARN CCOc1ccccc1CN1CCC[C@H]1c1cc(CC)no1 ZINC000064666987 563485870 /nfs/dbraw/zinc/48/58/70/563485870.db2.gz ABDYYMVESVCLEJ-INIZCTEOSA-N 0 0 300.402 3.973 50 0 DHAARN CC(=O)c1ccc(CN2CCN(c3ccccc3)C[C@H]2C)cc1 ZINC000065469866 563486901 /nfs/dbraw/zinc/48/69/01/563486901.db2.gz OORHTCPZYDQQDA-MRXNPFEDSA-N 0 0 308.425 3.600 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)Cc1ccc(C(C)C)cc1 ZINC000067541917 563487988 /nfs/dbraw/zinc/48/79/88/563487988.db2.gz HMWILRHXMFWLTN-HNNXBMFYSA-N 0 0 313.445 3.912 50 0 DHAARN CO[C@H](C(=O)N(C)Cc1[nH]c2ccccc2c1C)c1ccccc1 ZINC000067676231 563488614 /nfs/dbraw/zinc/48/86/14/563488614.db2.gz FOLFGIKLBGGAMN-IBGZPJMESA-N 0 0 322.408 3.822 50 0 DHAARN Oc1ccccc1CCc1nncn1-c1cccc2ccccc21 ZINC000067724782 563489490 /nfs/dbraw/zinc/48/94/90/563489490.db2.gz VBRCCZMUYKWBJK-UHFFFAOYSA-N 0 0 315.376 3.911 50 0 DHAARN CCCCc1nc(-c2nccn2[C@H](C)c2nccs2)c[nH]1 ZINC000067772645 563490241 /nfs/dbraw/zinc/49/02/41/563490241.db2.gz ZJHCNZMTHZFBMI-LLVKDONJSA-N 0 0 301.419 3.682 50 0 DHAARN O=C(C(=O)N(Cc1ccccc1)CC1CCC1)c1ccccc1 ZINC000067756879 563490373 /nfs/dbraw/zinc/49/03/73/563490373.db2.gz SFZIWGINHXKBPL-UHFFFAOYSA-N 0 0 307.393 3.698 50 0 DHAARN CCn1cnnc1CN(C)Cc1cccc2c3ccccc3oc21 ZINC000067788259 563490523 /nfs/dbraw/zinc/49/05/23/563490523.db2.gz DZVKLWOZIQVSQO-UHFFFAOYSA-N 0 0 320.396 3.829 50 0 DHAARN C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1Cc1ccoc1 ZINC000067771255 563490813 /nfs/dbraw/zinc/49/08/13/563490813.db2.gz BHEPLXZPSIBLFC-ZDUSSCGKSA-N 0 0 310.353 3.599 50 0 DHAARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc2sc(N)nc2c1 ZINC000067833797 563491194 /nfs/dbraw/zinc/49/11/94/563491194.db2.gz MAIGFUZGXCVWGU-VIFPVBQESA-N 0 0 317.439 3.773 50 0 DHAARN Cc1cccc(-n2cnnc2[C@@H]2CCN2Cc2ccccc2)c1 ZINC000067805583 563491228 /nfs/dbraw/zinc/49/12/28/563491228.db2.gz MGSWEXGAGVHNPD-SFHVURJKSA-N 0 0 304.397 3.523 50 0 DHAARN Cc1ccc2[nH]c([C@@H](C(C)C)n3cc4[nH]cccc-4c3=O)nc2c1 ZINC000067821117 563491258 /nfs/dbraw/zinc/49/12/58/563491258.db2.gz ACXOESGQVZQNKU-QGZVFWFLSA-N 0 0 320.396 3.619 50 0 DHAARN CC(C)Cc1ncc2c(n1)CN(c1ccc(C(F)(F)F)cn1)C2 ZINC000067851810 563492596 /nfs/dbraw/zinc/49/25/96/563492596.db2.gz DOPHHIWUQDWSII-UHFFFAOYSA-N 0 0 322.334 3.609 50 0 DHAARN CC[C@H](c1ccc(OC)cc1)N(C)c1ncnc2oc(C)nc21 ZINC000067871909 563492661 /nfs/dbraw/zinc/49/26/61/563492661.db2.gz UAKONZPVMNIYJX-CQSZACIVSA-N 0 0 312.373 3.522 50 0 DHAARN CCNc1nc(C)c(C(=O)N(C)[C@@H](C)c2cccs2)s1 ZINC000067893982 563492837 /nfs/dbraw/zinc/49/28/37/563492837.db2.gz GZBIGGJNBWRTDX-JTQLQIEISA-N 0 0 309.460 3.778 50 0 DHAARN CCOc1ccccc1-c1nccn1Cc1cnc2c(c1)CCC2 ZINC000067895172 563492899 /nfs/dbraw/zinc/49/28/99/563492899.db2.gz WWXREOVTMZMUGV-UHFFFAOYSA-N 0 0 319.408 3.881 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)[C@@]1(c2cccs2)CC1(C)C ZINC000067934043 563493289 /nfs/dbraw/zinc/49/32/89/563493289.db2.gz IOWMKMIMFKZZNY-KRWDZBQOSA-N 0 0 318.442 3.679 50 0 DHAARN C/C=C/CC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067965917 563494071 /nfs/dbraw/zinc/49/40/71/563494071.db2.gz QRFUXICJPRAKEW-NSCUHMNNSA-N 0 0 323.440 3.673 50 0 DHAARN O=C1C[C@H](c2cccc3[nH]ccc32)c2c(n[nH]c2C2CCC2)N1 ZINC000067948131 563494115 /nfs/dbraw/zinc/49/41/15/563494115.db2.gz IRLJBFKRBPEJQO-CYBMUJFWSA-N 0 0 306.369 3.633 50 0 DHAARN Cc1nccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)n1 ZINC000033123895 563497060 /nfs/dbraw/zinc/49/70/60/563497060.db2.gz CCDQBIAESIWPPV-UHFFFAOYSA-N 0 0 321.355 3.772 50 0 DHAARN CC1(C)CCCC2=C1C[C@H]1C(=O)N(c3ccccc3)NC(=O)[C@H]1C2 ZINC000004675062 563497154 /nfs/dbraw/zinc/49/71/54/563497154.db2.gz CTYPHZKNPXLIOK-JKSUJKDBSA-N 0 0 324.424 3.597 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1F ZINC000033137120 563497170 /nfs/dbraw/zinc/49/71/70/563497170.db2.gz DWRFBSCWTXFAQV-UHFFFAOYSA-N 0 0 323.327 3.969 50 0 DHAARN COc1ccccc1Cn1ccnc1-c1ccc(NC(C)=O)cc1 ZINC000071315463 563498310 /nfs/dbraw/zinc/49/83/10/563498310.db2.gz UUFBHLGLJAIBEC-UHFFFAOYSA-N 0 0 321.380 3.565 50 0 DHAARN Nc1ncccc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071551695 563499684 /nfs/dbraw/zinc/49/96/84/563499684.db2.gz NERBWHXUYYEAJS-INIZCTEOSA-N 0 0 313.420 3.648 50 0 DHAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(C)(=O)=O ZINC000033169109 563499750 /nfs/dbraw/zinc/49/97/50/563499750.db2.gz RNWDZBCYDSKKLU-UHFFFAOYSA-N 0 0 318.423 3.643 50 0 DHAARN CCc1nnsc1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000033217060 563500748 /nfs/dbraw/zinc/50/07/48/563500748.db2.gz APNWXDQCTZGJLP-UHFFFAOYSA-N 0 0 316.386 3.617 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)c1cc2c(s1)CCCCC2 ZINC000046407981 563502472 /nfs/dbraw/zinc/50/24/72/563502472.db2.gz KVWOCOMOKXMNGB-UHFFFAOYSA-N 0 0 318.442 3.894 50 0 DHAARN CCOc1ccc(NC(=O)c2cccc(-c3noc(C)n3)c2)cc1 ZINC000033257623 563502787 /nfs/dbraw/zinc/50/27/87/563502787.db2.gz LORPYVQCHHOEAA-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN Cc1ccnc2sc(C(=O)Nc3ccc(F)cc3)c(N)c21 ZINC000135261840 563502904 /nfs/dbraw/zinc/50/29/04/563502904.db2.gz QSFCAUAAJLBWNT-UHFFFAOYSA-N 0 0 301.346 3.578 50 0 DHAARN CCCCNC(=O)c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000033264740 563503457 /nfs/dbraw/zinc/50/34/57/563503457.db2.gz ITSKXHAYBTZSFG-UHFFFAOYSA-N 0 0 321.424 3.878 50 0 DHAARN CC[C@@H](c1nnc(NCc2cscn2)o1)c1ccccc1 ZINC000097045533 563504124 /nfs/dbraw/zinc/50/41/24/563504124.db2.gz QRTQCQILUDSYGD-CYBMUJFWSA-N 0 0 300.387 3.680 50 0 DHAARN COc1cc(C)ccc1Oc1ccc(NCc2cc[nH]n2)cn1 ZINC000097045395 563504569 /nfs/dbraw/zinc/50/45/69/563504569.db2.gz DPPNXIZKPIYYEP-UHFFFAOYSA-N 0 0 310.357 3.526 50 0 DHAARN CCSc1cc(Cl)ccc1C(=O)NCc1nc(C)c(C)o1 ZINC000097141868 563506559 /nfs/dbraw/zinc/50/65/59/563506559.db2.gz JMIUCUNYVICZDA-UHFFFAOYSA-N 0 0 324.833 3.987 50 0 DHAARN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ncc(-c2ccccc2)o1 ZINC000097112329 563506705 /nfs/dbraw/zinc/50/67/05/563506705.db2.gz IGAXFHAGFMTECE-IRWQIABSSA-N 0 0 320.392 3.651 50 0 DHAARN CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000097143233 563506835 /nfs/dbraw/zinc/50/68/35/563506835.db2.gz BJEFDNDVORUICD-MOPGFXCFSA-N 0 0 323.392 3.539 50 0 DHAARN CCn1c2ccc(C)cc2nc1NCc1csc(COC)n1 ZINC000097141635 563507007 /nfs/dbraw/zinc/50/70/07/563507007.db2.gz YCJAPSNPESYKIE-UHFFFAOYSA-N 0 0 316.430 3.580 50 0 DHAARN CCc1cc([C@H](C)n2ccnc2-c2ccc(NC(C)=O)cc2)on1 ZINC000077287811 563508324 /nfs/dbraw/zinc/50/83/24/563508324.db2.gz VRINPKJHGJYQEP-LBPRGKRZSA-N 0 0 324.384 3.668 50 0 DHAARN Nc1c(-c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000000038211 563508627 /nfs/dbraw/zinc/50/86/27/563508627.db2.gz RUTSIXOXJSTDGA-UHFFFAOYSA-N 0 0 314.186 3.884 50 0 DHAARN Cc1ccc(SC2CCN(C(=O)c3ccc[nH]3)CC2)cc1 ZINC000077320867 563509272 /nfs/dbraw/zinc/50/92/72/563509272.db2.gz OMSLYDADHSBLLO-UHFFFAOYSA-N 0 0 300.427 3.720 50 0 DHAARN CCc1nc(C)c(C(=O)N2CCC[C@@H](c3ccccc3C)C2)o1 ZINC000077423333 563510135 /nfs/dbraw/zinc/51/01/35/563510135.db2.gz YSGQCIVHLJPAKF-OAHLLOKOSA-N 0 0 312.413 3.874 50 0 DHAARN CC[C@@H]1c2cccn2CCN1C(=O)c1cc(Cl)ccc1F ZINC000077424823 563510222 /nfs/dbraw/zinc/51/02/22/563510222.db2.gz MFBHPUPAXBJJCL-CQSZACIVSA-N 0 0 306.768 3.888 50 0 DHAARN CCc1nc(C)c(C(=O)N2CCC[C@H](c3ccccc3C)C2)o1 ZINC000077423331 563510284 /nfs/dbraw/zinc/51/02/84/563510284.db2.gz YSGQCIVHLJPAKF-HNNXBMFYSA-N 0 0 312.413 3.874 50 0 DHAARN C[C@H](c1ccncn1)N(C)C(=O)CCCc1ccc(Cl)cc1 ZINC000077486173 563511029 /nfs/dbraw/zinc/51/10/29/563511029.db2.gz DUYJLGUCSXJMJO-CYBMUJFWSA-N 0 0 317.820 3.672 50 0 DHAARN Cc1c[nH]c(C(=O)N2CCC[C@H](COc3cccc(C)c3)C2)c1 ZINC000077565968 563511449 /nfs/dbraw/zinc/51/14/49/563511449.db2.gz BWBBVFBDOPTMGQ-INIZCTEOSA-N 0 0 312.413 3.563 50 0 DHAARN Cc1c[nH]c(C(=O)N2CCC[C@@H](COc3cccc(C)c3)C2)c1 ZINC000077565961 563511871 /nfs/dbraw/zinc/51/18/71/563511871.db2.gz BWBBVFBDOPTMGQ-MRXNPFEDSA-N 0 0 312.413 3.563 50 0 DHAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000047270 563512349 /nfs/dbraw/zinc/51/23/49/563512349.db2.gz PLAIHLXOFKNFGZ-UHFFFAOYSA-N 0 0 302.761 3.859 50 0 DHAARN Cc1nnc([C@@H](C)Nc2cnn(-c3cccc(Cl)c3)c2C)o1 ZINC000126777832 563513812 /nfs/dbraw/zinc/51/38/12/563513812.db2.gz KXHOHOCOJJXKQE-SECBINFHSA-N 0 0 317.780 3.699 50 0 DHAARN CNC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1 ZINC000000054911 563515123 /nfs/dbraw/zinc/51/51/23/563515123.db2.gz ZURXOBSMBKQQNE-UHFFFAOYSA-N 0 0 310.422 3.998 50 0 DHAARN O=C1O[C@@H](c2ccc(Br)cc2)O[C@H]1c1ccccc1 ZINC000000064896 563517488 /nfs/dbraw/zinc/51/74/88/563517488.db2.gz HXUYARVRVOCELX-ZFWWWQNUSA-N 0 0 319.154 3.762 50 0 DHAARN CCSc1nnc(NC(=O)/C=C\c2ccc(C)cc2)s1 ZINC000033318485 563520456 /nfs/dbraw/zinc/52/04/56/563520456.db2.gz VGADBXCDXXOQRR-HJWRWDBZSA-N 0 0 305.428 3.610 50 0 DHAARN C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000086029528 563521733 /nfs/dbraw/zinc/52/17/33/563521733.db2.gz GHAJNZREWTZYQJ-LBPRGKRZSA-N 0 0 314.772 3.697 50 0 in-vitro DHAARN C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 ZINC000086029525 563521743 /nfs/dbraw/zinc/52/17/43/563521743.db2.gz GHAJNZREWTZYQJ-GFCCVEGCSA-N 0 0 314.772 3.697 50 0 in-vitro DHAARN O=C(Nc1cccs1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585148839 563521780 /nfs/dbraw/zinc/52/17/80/563521780.db2.gz JDAPELLZTNOGFV-CQSZACIVSA-N 0 0 314.410 3.704 50 0 DHAARN CC(=O)Nc1ccc(Cl)c(C(=O)NCCC2=CCCCC2)c1 ZINC000130308887 563522666 /nfs/dbraw/zinc/52/26/66/563522666.db2.gz RAVFIENZXWRSDH-UHFFFAOYSA-N 0 0 320.820 3.919 50 0 DHAARN Cc1cccc(-c2nc(CNC(=O)c3ccc(C)c(C)c3)no2)c1 ZINC000033327920 563522819 /nfs/dbraw/zinc/52/28/19/563522819.db2.gz UUUZCSMIOKMIFH-UHFFFAOYSA-N 0 0 321.380 3.592 50 0 DHAARN COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000033337511 563523183 /nfs/dbraw/zinc/52/31/83/563523183.db2.gz HCFPPNVCVBFSTO-HJWRWDBZSA-N 0 0 303.289 3.661 50 0 DHAARN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C)c1C ZINC000000082088 563524697 /nfs/dbraw/zinc/52/46/97/563524697.db2.gz KGTFKTCAPXXFGA-CYBMUJFWSA-N 0 0 315.438 3.752 50 0 DHAARN Cc1cc(N)n(-c2nc(C)nc3sc4c(c32)CC[C@@H](C)C4)c1 ZINC000000090078 563527725 /nfs/dbraw/zinc/52/77/25/563527725.db2.gz DMEAPKFMVIBLRO-SECBINFHSA-N 0 0 312.442 3.806 50 0 DHAARN O=C1CSc2ccccc2N1Cc1cncn1C1CCCC1 ZINC000095372834 563529782 /nfs/dbraw/zinc/52/97/82/563529782.db2.gz GPWOPMAUCQNFQF-UHFFFAOYSA-N 0 0 313.426 3.637 50 0 DHAARN FC(F)Oc1ccc(-c2cccc(CN3CCOCC3)c2)cc1 ZINC000096137811 563533849 /nfs/dbraw/zinc/53/38/49/563533849.db2.gz OUQMPRYGLZMZOG-UHFFFAOYSA-N 0 0 319.351 3.787 50 0 DHAARN COc1c(F)cc(F)cc1-c1ccc(C(=O)NC2CC2)s1 ZINC000096140647 563534190 /nfs/dbraw/zinc/53/41/90/563534190.db2.gz NAUUCCXUMVRRLY-UHFFFAOYSA-N 0 0 309.337 3.594 50 0 DHAARN CCN(CC)C(=O)c1ccc(-c2c(OC)cc(C)cc2OC)o1 ZINC000096151235 563534198 /nfs/dbraw/zinc/53/41/98/563534198.db2.gz YFBDFKXCDXDRAB-UHFFFAOYSA-N 0 0 317.385 3.754 50 0 DHAARN FC(F)(F)c1ccc(-c2cccc(CN3CCOCC3)c2)cn1 ZINC000096152134 563534842 /nfs/dbraw/zinc/53/48/42/563534842.db2.gz ICNUMUBQWSFGGJ-UHFFFAOYSA-N 0 0 322.330 3.600 50 0 DHAARN COc1cc(CN2CC[C@H]2c2ccc(F)cc2)cc2c1OCO2 ZINC000097370562 563539273 /nfs/dbraw/zinc/53/92/73/563539273.db2.gz ORDJKGVYWKIQQQ-HNNXBMFYSA-N 0 0 315.344 3.510 50 0 DHAARN CC[C@@H](C)c1ccc(NC(=O)NCCCc2ncc[nH]2)cc1 ZINC000097446931 563539603 /nfs/dbraw/zinc/53/96/03/563539603.db2.gz WKRCFGFTPZKTKY-CYBMUJFWSA-N 0 0 300.406 3.678 50 0 DHAARN CC1(C)C[C@@H](C(=O)N(C/C=C/c2ccccc2)C2CC2)CCO1 ZINC000097602436 563540348 /nfs/dbraw/zinc/54/03/48/563540348.db2.gz IVWYGWLNYPYLAJ-NADMHLTPSA-N 0 0 313.441 3.896 50 0 DHAARN CCCc1nc(C(=O)N2CC[C@@H]2c2cccc(OC)c2)cs1 ZINC000097660509 563541047 /nfs/dbraw/zinc/54/10/47/563541047.db2.gz VTZRMDPGOODGJG-OAHLLOKOSA-N 0 0 316.426 3.691 50 0 DHAARN CC1(C)C[C@@H]1C(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000097698770 563542026 /nfs/dbraw/zinc/54/20/26/563542026.db2.gz ZJKBFYWUBWQNJS-QGZVFWFLSA-N 0 0 312.388 3.796 50 0 DHAARN COC(=O)c1ccc(-c2ccc(C(=O)OC)c(Cl)c2)cc1 ZINC000097756867 563542076 /nfs/dbraw/zinc/54/20/76/563542076.db2.gz QZDWWMWXZHRTFV-UHFFFAOYSA-N 0 0 304.729 3.580 50 0 DHAARN CCCCOc1ccc(C)cc1-c1ncccc1C(=O)N(C)C ZINC000097772828 563542349 /nfs/dbraw/zinc/54/23/49/563542349.db2.gz PMWGNNXCSWRCIL-UHFFFAOYSA-N 0 0 312.413 3.938 50 0 DHAARN O=c1c2[nH]cc(-c3ccccc3)c2[nH]c(=S)n1-c1ccccc1 ZINC000100071628 563543211 /nfs/dbraw/zinc/54/32/11/563543211.db2.gz QFPJBJCVDIKFRJ-UHFFFAOYSA-N 0 0 319.389 3.670 50 0 DHAARN C[C@H](CC(=O)NCC[C@H](O)c1ccccc1)C1CCCCC1 ZINC000072303077 563543347 /nfs/dbraw/zinc/54/33/47/563543347.db2.gz RXSWPEMAVGZALA-QAPCUYQASA-N 0 0 303.446 3.833 50 0 DHAARN Cc1noc(-c2ccc(C(=O)N([C@@H](C)C(C)C)C3CC3)cc2)n1 ZINC000046445613 563550484 /nfs/dbraw/zinc/55/04/84/563550484.db2.gz NVGQWRLVTWOLBC-LBPRGKRZSA-N 0 0 313.401 3.694 50 0 DHAARN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1C ZINC000100456276 563550999 /nfs/dbraw/zinc/55/09/99/563550999.db2.gz JEYOKZYQJOHZAA-UHFFFAOYSA-N 0 0 316.813 3.945 50 0 DHAARN CCOc1ccc(N2C(=O)C[C@H](Cc3ccc(C)cc3)C2=O)cc1 ZINC000100561237 563551935 /nfs/dbraw/zinc/55/19/35/563551935.db2.gz HTKBRZIHLSEISK-INIZCTEOSA-N 0 0 323.392 3.516 50 0 DHAARN Oc1ccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c(O)c1 ZINC000100743498 563553269 /nfs/dbraw/zinc/55/32/69/563553269.db2.gz JMPNPXAKVNKGGT-UHFFFAOYSA-N 0 0 302.717 3.934 50 0 DHAARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Nc1c(C)cc(C)cc1Cl)C2 ZINC000102858050 563560282 /nfs/dbraw/zinc/56/02/82/563560282.db2.gz NKGJTHWASQMBJZ-VIKVFOODSA-N 0 0 322.836 3.846 50 0 DHAARN CS[C@@H]1CC[C@H](NC(=O)N([C@H](C)c2ccco2)C2CC2)C1 ZINC000108100825 563564295 /nfs/dbraw/zinc/56/42/95/563564295.db2.gz DSXMPPVTLDPPRD-MBNYWOFBSA-N 0 0 308.447 3.799 50 0 DHAARN CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000014561501 563568543 /nfs/dbraw/zinc/56/85/43/563568543.db2.gz XWYJDYFLCWNWLO-UHFFFAOYSA-N 0 0 324.424 3.943 50 0 DHAARN Cc1cc(N2CCCC[C@H]2C)n2nc(-c3ccccc3C)nc2n1 ZINC000014610457 563568627 /nfs/dbraw/zinc/56/86/27/563568627.db2.gz KDAPSOBFIQONSJ-OAHLLOKOSA-N 0 0 321.428 3.787 50 0 DHAARN Cc1nc2ccccc2n1CCc1noc(-c2ccccc2C)n1 ZINC000257176763 563569673 /nfs/dbraw/zinc/56/96/73/563569673.db2.gz URGZBWMDEFWRKI-UHFFFAOYSA-N 0 0 318.380 3.946 50 0 DHAARN COc1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1 ZINC000000105875 563570250 /nfs/dbraw/zinc/57/02/50/563570250.db2.gz ZHGVCXDOKBSJBV-UHFFFAOYSA-N 0 0 310.744 3.607 50 0 DHAARN CCc1nc2c(sc(=S)n2-c2ccccc2)c(N(C)C)n1 ZINC000000111061 563571017 /nfs/dbraw/zinc/57/10/17/563571017.db2.gz HLFAPVVLLHDFMD-UHFFFAOYSA-N 0 0 316.455 3.840 50 0 DHAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(F)cc1 ZINC000000130785 563572117 /nfs/dbraw/zinc/57/21/17/563572117.db2.gz YUFPUOLBCNOMEX-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000000140058 563572785 /nfs/dbraw/zinc/57/27/85/563572785.db2.gz GFIFUGZGOFSDDN-UHFFFAOYSA-N 0 0 321.298 3.674 50 0 DHAARN Cc1c(Cl)cccc1-n1ncnc1-c1ccc(N(C)C)cc1 ZINC000000180852 563575642 /nfs/dbraw/zinc/57/56/42/563575642.db2.gz GFMIRIXUYDOVLI-UHFFFAOYSA-N 0 0 312.804 3.962 50 0 DHAARN Cc1cccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)c1 ZINC000000189400 563576235 /nfs/dbraw/zinc/57/62/35/563576235.db2.gz ZEDGJHNBHORRHA-UHFFFAOYSA-N 0 0 315.442 3.946 50 0 DHAARN Cc1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1 ZINC000000208702 563577934 /nfs/dbraw/zinc/57/79/34/563577934.db2.gz WWEPSIDRSHDNHJ-UHFFFAOYSA-N 0 0 300.365 3.954 50 0 DHAARN COC(=O)CCn1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000000216052 563578405 /nfs/dbraw/zinc/57/84/05/563578405.db2.gz NXPMIEZURNRKGV-UHFFFAOYSA-N 0 0 306.365 3.780 50 0 DHAARN CC(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000000252977 563582561 /nfs/dbraw/zinc/58/25/61/563582561.db2.gz VBLMMUZRPIBVOT-UHFFFAOYSA-N 0 0 312.300 3.783 50 0 DHAARN O=C(N1CCC(Cc2ccccc2)CC1)C(Cl)(Cl)Cl ZINC000000253558 563583006 /nfs/dbraw/zinc/58/30/06/563583006.db2.gz ZCUQDQLAEJNCKU-UHFFFAOYSA-N 0 0 320.647 3.838 50 0 DHAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1F ZINC000000288027 563584936 /nfs/dbraw/zinc/58/49/36/563584936.db2.gz RWFFCFILSQXZFW-ZROIWOOFSA-N 0 0 301.704 3.824 50 0 DHAARN Cc1ccc(-c2noc([C@H]3CCCCN3C(=O)C(C)C)n2)cc1 ZINC000000324480 563587931 /nfs/dbraw/zinc/58/79/31/563587931.db2.gz MTPGAPHFQLMRSW-OAHLLOKOSA-N 0 0 313.401 3.755 50 0 DHAARN Cc1cc(Cl)ccc1OC[C@H](O)CSc1ccccn1 ZINC000011692560 563587972 /nfs/dbraw/zinc/58/79/72/563587972.db2.gz DQUPIUHIJRMPOI-ZDUSSCGKSA-N 0 0 309.818 3.575 50 0 DHAARN Cc1ccc(-c2nc(=O)[nH]c3ccc(Br)cc32)cc1 ZINC000000363996 563590723 /nfs/dbraw/zinc/59/07/23/563590723.db2.gz PISGBALMUWFULF-UHFFFAOYSA-N 0 0 315.170 3.661 50 0 DHAARN O=C1c2ccccc2N[C@H](c2ccccn2)N1Cc1ccccc1 ZINC000000384389 563591979 /nfs/dbraw/zinc/59/19/79/563591979.db2.gz JJHVWYUFGKMROZ-IBGZPJMESA-N 0 0 315.376 3.848 50 0 DHAARN CCc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000005001112 563595479 /nfs/dbraw/zinc/59/54/79/563595479.db2.gz AIIWONHOFAEYDS-UHFFFAOYSA-N 0 0 317.345 3.752 50 0 DHAARN O=C(CSc1nncn1C1CC1)c1cccc2ccccc21 ZINC000011720267 563598373 /nfs/dbraw/zinc/59/83/73/563598373.db2.gz 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CC(CNC(=O)[C@H]1CCCCO1)(c1ccccc1)c1ccccc1 ZINC000215556895 563706483 /nfs/dbraw/zinc/70/64/83/563706483.db2.gz RZEATZNZNWEYPS-LJQANCHMSA-N 0 0 323.436 3.678 50 0 DHAARN COC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(F)cc1 ZINC000215849212 563707266 /nfs/dbraw/zinc/70/72/66/563707266.db2.gz YGWWDBSJIGCFRL-UHFFFAOYSA-N 0 0 310.328 3.524 50 0 DHAARN C[C@@H](c1cccc(-c2ccc(CC(=O)[O-])cn2)c1)[NH+]1CCCC1 ZINC000216001574 563707604 /nfs/dbraw/zinc/70/76/04/563707604.db2.gz OUIONTSIAIGJMP-AWEZNQCLSA-N 0 0 310.397 3.533 50 0 DHAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2cccc(OC)c2)no1 ZINC000006872308 563707661 /nfs/dbraw/zinc/70/76/61/563707661.db2.gz CBFFWQXYOTWETA-AWEZNQCLSA-N 0 0 314.385 3.755 50 0 DHAARN CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)cn1 ZINC000216335743 563708946 /nfs/dbraw/zinc/70/89/46/563708946.db2.gz MZVGYCPKNXLDOG-IBGZPJMESA-N 0 0 324.472 3.530 50 0 DHAARN CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3ccccc3C)C2)n(C)c1 ZINC000216382931 563709174 /nfs/dbraw/zinc/70/91/74/563709174.db2.gz RWKYFESFBMWHJP-QGZVFWFLSA-N 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/nfs/dbraw/zinc/77/42/76/563774276.db2.gz XLUUSULTKZQDJR-UHFFFAOYSA-N 0 0 308.381 3.904 50 0 DHAARN CCc1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)o1 ZINC000012443877 563775021 /nfs/dbraw/zinc/77/50/21/563775021.db2.gz LQZVXRKMOVGZBS-UHFFFAOYSA-N 0 0 323.352 3.560 50 0 DHAARN COc1cccc(Cl)c1CNC(=O)c1ccc(F)cc1F ZINC000241121796 563776350 /nfs/dbraw/zinc/77/63/50/563776350.db2.gz JDYQBFKSCPEIST-UHFFFAOYSA-N 0 0 311.715 3.557 50 0 DHAARN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)n1 ZINC000240540906 563776467 /nfs/dbraw/zinc/77/64/67/563776467.db2.gz GQDXAEACBZKGCL-HIFRSBDPSA-N 0 0 308.372 3.879 50 0 DHAARN O=C(Nc1scnc1-c1ccccc1)[C@@H]1C[C@H]1c1cccnc1 ZINC000240668050 563776611 /nfs/dbraw/zinc/77/66/11/563776611.db2.gz HMBLEDKMVCQICA-LSDHHAIUSA-N 0 0 321.405 3.947 50 0 DHAARN O=C(c1cc(C2CC2)no1)N(CC(F)F)c1ccc(F)cc1 ZINC000240871430 563776726 /nfs/dbraw/zinc/77/67/26/563776726.db2.gz IKMXWCLYSDYVNA-UHFFFAOYSA-N 0 0 310.275 3.603 50 0 DHAARN Cc1[nH]c2c(cccc2C(=O)N(C)CCC[C@H]2CCCO2)c1C ZINC000244734828 563778869 /nfs/dbraw/zinc/77/88/69/563778869.db2.gz NMMPEDUTIAIZFK-HNNXBMFYSA-N 0 0 314.429 3.816 50 0 DHAARN Cc1ccn2cc(CN3CCCC[C@H]3c3ccccn3)nc2c1 ZINC000244673718 563779156 /nfs/dbraw/zinc/77/91/56/563779156.db2.gz HUJCDVNERSNXDS-SFHVURJKSA-N 0 0 306.413 3.765 50 0 DHAARN CSCc1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc1 ZINC000244899977 563779688 /nfs/dbraw/zinc/77/96/88/563779688.db2.gz ZTSYHEGFLXLKOM-OAHLLOKOSA-N 0 0 312.438 3.540 50 0 DHAARN Cc1cccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000244874872 563779932 /nfs/dbraw/zinc/77/99/32/563779932.db2.gz XISOPIRKLYRSFM-RDJZCZTQSA-N 0 0 312.388 3.670 50 0 DHAARN COc1ccccc1NC(=O)Nc1ccc(-c2ccncc2)nc1 ZINC000585149389 563781706 /nfs/dbraw/zinc/78/17/06/563781706.db2.gz LHQOOFNSHVQWAH-UHFFFAOYSA-N 0 0 320.352 3.796 50 0 DHAARN CC(C)n1nc(CNCc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000247977288 563782217 /nfs/dbraw/zinc/78/22/17/563782217.db2.gz GDRDRHVAWPSBGG-UHFFFAOYSA-N 0 0 324.403 3.955 50 0 DHAARN CN(CCCOc1ccccc1Cl)Cc1nccn1C1CC1 ZINC000252478776 563783851 /nfs/dbraw/zinc/78/38/51/563783851.db2.gz AVASSJIFVPKLJS-UHFFFAOYSA-N 0 0 319.836 3.772 50 0 DHAARN CC(C)(C)c1nc(CN2CCC[C@H]2CCc2ccccc2)no1 ZINC000052106117 563784289 /nfs/dbraw/zinc/78/42/89/563784289.db2.gz HNRVVLJGEPRWRH-INIZCTEOSA-N 0 0 313.445 3.964 50 0 DHAARN CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(OC(C)C)cc1F ZINC000052265395 563786417 /nfs/dbraw/zinc/78/64/17/563786417.db2.gz HCPFTDMAGNEIGD-ZDUSSCGKSA-N 0 0 324.396 3.503 50 0 DHAARN Cc1cc2occ(CC(=O)Nc3cnn(C)c3)c2cc1C(C)C ZINC000025305345 563786905 /nfs/dbraw/zinc/78/69/05/563786905.db2.gz OVJXHWJDOOWZFT-UHFFFAOYSA-N 0 0 311.385 3.779 50 0 DHAARN CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000025287457 563786929 /nfs/dbraw/zinc/78/69/29/563786929.db2.gz OMGAEXLJADINKF-UHFFFAOYSA-N 0 0 306.369 3.526 50 0 DHAARN O=C1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)S1 ZINC000001058753 563788033 /nfs/dbraw/zinc/78/80/33/563788033.db2.gz OSAMFBBKHJZYDX-XNTDXEJSSA-N 0 0 311.362 3.590 50 0 DHAARN C[C@@H](C(=O)NCc1nc(-c2ccncc2)cs1)c1ccccc1 ZINC000182601887 563793999 /nfs/dbraw/zinc/79/39/99/563793999.db2.gz APQXWVLXOJAZFS-CYBMUJFWSA-N 0 0 323.421 3.625 50 0 DHAARN Cc1cccc(O)c1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000183040073 563794030 /nfs/dbraw/zinc/79/40/30/563794030.db2.gz LUORGMNXITWJID-RYUDHWBXSA-N 0 0 303.308 3.721 50 0 DHAARN Fc1cc(OC(F)F)c(Br)cc1Br ZINC000263624132 563794685 /nfs/dbraw/zinc/79/46/85/563794685.db2.gz NSKZVGUYOFSSDJ-UHFFFAOYSA-N 0 0 319.902 3.952 50 0 DHAARN C[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000183508035 563795512 /nfs/dbraw/zinc/79/55/12/563795512.db2.gz GRXYGCACVTWRJO-QMMMGPOBSA-N 0 0 315.225 3.983 50 0 DHAARN Cc1cccc2sc(NC(=O)[C@H](C)OCC(F)(F)F)nc21 ZINC000031688150 563796131 /nfs/dbraw/zinc/79/61/31/563796131.db2.gz NSUCFOVZRMBONQ-QMMMGPOBSA-N 0 0 318.320 3.511 50 0 DHAARN CCC(C)(C)NC(=O)CCCSc1nc2ccccc2[nH]1 ZINC000012508081 563796667 /nfs/dbraw/zinc/79/66/67/563796667.db2.gz DYOLNXOEZJXHFJ-UHFFFAOYSA-N 0 0 305.447 3.740 50 0 DHAARN Cc1ccccc1-c1noc(CN2c3ccccc3C[C@H]2C)n1 ZINC000012526523 563797707 /nfs/dbraw/zinc/79/77/07/563797707.db2.gz ZSMJVBVGINHYIK-CQSZACIVSA-N 0 0 305.381 3.996 50 0 DHAARN CCN(CC)C(=S)c1ccc(C(=S)N(CC)CC)cc1 ZINC000000409912 563846846 /nfs/dbraw/zinc/84/68/46/563846846.db2.gz OTMNUEPPODBDFW-UHFFFAOYSA-N 0 0 308.516 3.721 50 0 DHAARN Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)n1 ZINC000012537851 563799053 /nfs/dbraw/zinc/79/90/53/563799053.db2.gz UDZMRFFZKXLCQR-UHFFFAOYSA-N 0 0 315.423 3.756 50 0 DHAARN CCN(C(=O)COC(=O)c1ccco1)c1cccc2ccccc21 ZINC000003244691 563799536 /nfs/dbraw/zinc/79/95/36/563799536.db2.gz QRXUYGDVTKPQSW-UHFFFAOYSA-N 0 0 323.348 3.643 50 0 DHAARN Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000003231705 563799595 /nfs/dbraw/zinc/79/95/95/563799595.db2.gz XRANWTDELIBEEO-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN Cc1cc(C)nc(Sc2ncnc3c4ccccc4oc32)n1 ZINC000003260947 563800416 /nfs/dbraw/zinc/80/04/16/563800416.db2.gz BGAQFIRMEJINNQ-UHFFFAOYSA-N 0 0 308.366 3.934 50 0 DHAARN Cc1cccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c1 ZINC000015281091 563802740 /nfs/dbraw/zinc/80/27/40/563802740.db2.gz NUWPGFPOLTXBHJ-UHFFFAOYSA-N 0 0 311.381 3.726 50 0 DHAARN C[C@@H]1Cc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000012608072 563803751 /nfs/dbraw/zinc/80/37/51/563803751.db2.gz MBVVCSCFTBVLRG-GFCCVEGCSA-N 0 0 309.344 3.827 50 0 DHAARN Cc1[nH]nc(C2CC2)c1C(=O)N[C@H](CC(C)C)c1cccnc1 ZINC000299755346 563804278 /nfs/dbraw/zinc/80/42/78/563804278.db2.gz HUHLVQZKPLPBFZ-OAHLLOKOSA-N 0 0 312.417 3.508 50 0 DHAARN CC(C)Sc1ccccc1NC(=O)N(C)CCc1cn[nH]c1 ZINC000299781655 563805670 /nfs/dbraw/zinc/80/56/70/563805670.db2.gz VNWTUXPNHKLESR-UHFFFAOYSA-N 0 0 318.446 3.617 50 0 DHAARN CCc1ocnc1C(=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000299796856 563806391 /nfs/dbraw/zinc/80/63/91/563806391.db2.gz OSUWBPPTARHXLQ-LLVKDONJSA-N 0 0 304.777 3.520 50 0 DHAARN O=C(NCc1ccsc1)Nc1ccnn1C[C@@H]1CC=CCC1 ZINC000299795237 563806543 /nfs/dbraw/zinc/80/65/43/563806543.db2.gz KYIRJISZTISONO-CYBMUJFWSA-N 0 0 316.430 3.623 50 0 DHAARN COCC1(C(=O)NCc2sc3ccccc3c2Cl)CC1 ZINC000299796693 563806677 /nfs/dbraw/zinc/80/66/77/563806677.db2.gz ODGLRBNZDZSBSK-UHFFFAOYSA-N 0 0 309.818 3.598 50 0 DHAARN CCC[C@H](NC(=O)c1c(F)ccc(C)c1Cl)c1nccn1C ZINC000299800176 563806964 /nfs/dbraw/zinc/80/69/64/563806964.db2.gz WVPSOYMENNTTDR-LBPRGKRZSA-N 0 0 323.799 3.792 50 0 DHAARN c1cc2nccc(NCCCOCC3CCOCC3)c2s1 ZINC000078298725 563808335 /nfs/dbraw/zinc/80/83/35/563808335.db2.gz WOIPKSVREQTAGT-UHFFFAOYSA-N 0 0 306.431 3.542 50 0 DHAARN C[C@@H](CNC(=O)c1cscn1)c1c(Cl)cccc1Cl ZINC000078483310 563808640 /nfs/dbraw/zinc/80/86/40/563808640.db2.gz HBQHNFLFOHYKEX-QMMMGPOBSA-N 0 0 315.225 3.983 50 0 DHAARN COc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000001268529 563810185 /nfs/dbraw/zinc/81/01/85/563810185.db2.gz KFMXAKKMDGEOOB-UHFFFAOYSA-N 0 0 302.330 3.696 50 0 DHAARN CCOc1ccc2[nH]c(SCc3noc(C4CC4)n3)nc2c1 ZINC000052888412 563810538 /nfs/dbraw/zinc/81/05/38/563810538.db2.gz KDXCMULYCKIGTD-UHFFFAOYSA-N 0 0 316.386 3.514 50 0 DHAARN Cc1cc(COC(=O)C(c2ccccc2)c2ccccc2)on1 ZINC000032170384 563813643 /nfs/dbraw/zinc/81/36/43/563813643.db2.gz RNLDGLCRLPFWKU-UHFFFAOYSA-N 0 0 307.349 3.858 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(Cl)n1 ZINC000001382162 563814475 /nfs/dbraw/zinc/81/44/75/563814475.db2.gz VZEHWEXZTGVCKD-UHFFFAOYSA-N 0 0 316.209 3.838 50 0 DHAARN CN1CCN(c2nc(C(F)(F)F)cs2)Cc2ccccc21 ZINC000083881732 563814722 /nfs/dbraw/zinc/81/47/22/563814722.db2.gz WREJYQKBJMQGCZ-UHFFFAOYSA-N 0 0 313.348 3.618 50 0 DHAARN O=C(c1ccc(F)cc1)n1cc(-c2nc3ccccc3o2)cn1 ZINC000001398343 563818049 /nfs/dbraw/zinc/81/80/49/563818049.db2.gz JTSVHGBKJHQCJZ-UHFFFAOYSA-N 0 0 307.284 3.519 50 0 DHAARN Cc1cc2ncnn2c(NCc2cccc(C(F)(F)F)c2)c1 ZINC000012736815 563818060 /nfs/dbraw/zinc/81/80/60/563818060.db2.gz MDRUDQLNALIKBS-UHFFFAOYSA-N 0 0 306.291 3.669 50 0 DHAARN COc1ccc(NC(=O)c2ccc(NC3CC3)nc2)cc1Cl ZINC000083953103 563819588 /nfs/dbraw/zinc/81/95/88/563819588.db2.gz SBLVRHMRDYUTBB-UHFFFAOYSA-N 0 0 317.776 3.570 50 0 DHAARN 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CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1cccc(F)c1 ZINC000078836623 563826918 /nfs/dbraw/zinc/82/69/18/563826918.db2.gz DCGMSMMOELQIRY-UHFFFAOYSA-N 0 0 323.371 3.987 50 0 DHAARN C[C@H](CNC(=O)[C@@H]1CC=CCC1)c1nc2ccccc2s1 ZINC000084638301 563829091 /nfs/dbraw/zinc/82/90/91/563829091.db2.gz DNRBXPNUZGKPFZ-CHWSQXEVSA-N 0 0 300.427 3.872 50 0 DHAARN C[C@@H](CC(=O)OCc1ccc(-n2cccn2)cc1)c1ccncc1 ZINC000084636949 563829303 /nfs/dbraw/zinc/82/93/03/563829303.db2.gz YANQCWCTACVDJE-HNNXBMFYSA-N 0 0 321.380 3.504 50 0 DHAARN C[C@H]1C(=O)Nc2ccccc2N1CCCCOc1ccccc1 ZINC000084678273 563829812 /nfs/dbraw/zinc/82/98/12/563829812.db2.gz UOVYPVWWQMMKHG-HNNXBMFYSA-N 0 0 310.397 3.693 50 0 DHAARN CSc1ccc(Cl)c(C(=O)Nn2cnc3ccccc32)c1 ZINC000012785974 563831492 /nfs/dbraw/zinc/83/14/92/563831492.db2.gz MVJZMMBOKUTJSK-UHFFFAOYSA-N 0 0 317.801 3.796 50 0 DHAARN CC(=O)c1ccc(N2CC[C@H](c3ccccc3Cl)C2)nc1 ZINC000032529876 563834261 /nfs/dbraw/zinc/83/42/61/563834261.db2.gz RRAGGHTWSIALTJ-AWEZNQCLSA-N 0 0 300.789 3.932 50 0 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DHAARN CC(C)(C)c1ccc(C(=O)Nc2cnc(N3CCCC3)nc2)cc1 ZINC000085470450 563838296 /nfs/dbraw/zinc/83/82/96/563838296.db2.gz DHBVACYCZKPGIE-UHFFFAOYSA-N 0 0 324.428 3.627 50 0 DHAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(F)c3)sc2n1 ZINC000001472110 563838762 /nfs/dbraw/zinc/83/87/62/563838762.db2.gz HTEMEYAALGCOIK-UHFFFAOYSA-N 0 0 315.373 3.887 50 0 DHAARN CC[C@H](C(=O)NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000085557857 563839359 /nfs/dbraw/zinc/83/93/59/563839359.db2.gz PWGZVNILWZBMCM-KRWDZBQOSA-N 0 0 319.408 3.887 50 0 DHAARN COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000000064365 563842755 /nfs/dbraw/zinc/84/27/55/563842755.db2.gz ODRCEQRCKPMANV-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN COc1cc(OC)c(NC(=O)Cc2ccccc2)cc1Cl ZINC000051425513 563843495 /nfs/dbraw/zinc/84/34/95/563843495.db2.gz JBHWGIOLSYSUSP-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN CCN(c1ccccc1C)S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000117227351 563844207 /nfs/dbraw/zinc/84/42/07/563844207.db2.gz BEMPKVUFUCVDCA-UHFFFAOYSA-N 0 0 324.833 3.567 50 0 DHAARN O=c1[nH]c(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12 ZINC000012865113 563845502 /nfs/dbraw/zinc/84/55/02/563845502.db2.gz SILJGMLSMLWZMO-UHFFFAOYSA-N 0 0 306.296 3.989 50 0 DHAARN COC(=O)Nc1ccc(Cc2ccc(NC(=O)OC)cc2)cc1 ZINC000000398144 563846047 /nfs/dbraw/zinc/84/60/47/563846047.db2.gz IDMPEWXHBJHVIQ-UHFFFAOYSA-N 0 0 314.341 3.634 50 0 DHAARN Cn1ccnc1CSc1ncc(C(F)(F)F)cc1Cl ZINC000074392664 563850735 /nfs/dbraw/zinc/85/07/35/563850735.db2.gz OANQLVRAVGXVIX-UHFFFAOYSA-N 0 0 307.728 3.780 50 0 DHAARN COc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C)cc1F ZINC000035269005 563851099 /nfs/dbraw/zinc/85/10/99/563851099.db2.gz ZFMDRZKMMTYRLS-TYNCELHUSA-N 0 0 308.397 3.773 50 0 DHAARN O=c1oc2ccccc2n1CCOc1cc(Cl)ccc1Cl ZINC000012886991 563852803 /nfs/dbraw/zinc/85/28/03/563852803.db2.gz GHYCAXGMGCNCDH-UHFFFAOYSA-N 0 0 324.163 3.980 50 0 DHAARN Cc1ccc(Cl)c(OCC(=O)N2CCc3sccc3C2)c1 ZINC000012907919 563853359 /nfs/dbraw/zinc/85/33/59/563853359.db2.gz DRAYECJIJAIVPR-UHFFFAOYSA-N 0 0 321.829 3.674 50 0 DHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccccc1F ZINC000012926632 563854680 /nfs/dbraw/zinc/85/46/80/563854680.db2.gz VRNWXYHTIVFLRR-UHFFFAOYSA-N 0 0 324.359 3.675 50 0 DHAARN CCc1cccc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)c1 ZINC000012929214 563854897 /nfs/dbraw/zinc/85/48/97/563854897.db2.gz APMZDDFLFSXIFZ-INIZCTEOSA-N 0 0 322.408 3.549 50 0 DHAARN COc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC(C)C ZINC000012934106 563856931 /nfs/dbraw/zinc/85/69/31/563856931.db2.gz ZJOPXGGYZMQYCW-UHFFFAOYSA-N 0 0 303.333 3.874 50 0 DHAARN CSC[C@H](C(=O)Oc1ccc2n[nH]cc2c1)c1ccccc1 ZINC000075092197 563859014 /nfs/dbraw/zinc/85/90/14/563859014.db2.gz OOQOMHWUUOLFAQ-HNNXBMFYSA-N 0 0 312.394 3.615 50 0 DHAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnccn1 ZINC000012950314 563859650 /nfs/dbraw/zinc/85/96/50/563859650.db2.gz ZERAFQBHPZDOCH-VIFPVBQESA-N 0 0 310.184 3.617 50 0 DHAARN O=C(CSc1nnc(C2CCCC2)[nH]1)c1ccc(F)cc1 ZINC000012950332 563859963 /nfs/dbraw/zinc/85/99/63/563859963.db2.gz IFKWRCIEWRQYPU-UHFFFAOYSA-N 0 0 305.378 3.576 50 0 DHAARN Cc1oc(-c2ccco2)nc1CC(=O)Nc1c(F)cccc1F ZINC000075126341 563860192 /nfs/dbraw/zinc/86/01/92/563860192.db2.gz WNAGQKLFPKDZKH-UHFFFAOYSA-N 0 0 318.279 3.702 50 0 DHAARN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc3ccccc3c2)c(=O)[nH]1 ZINC000075122457 563860470 /nfs/dbraw/zinc/86/04/70/563860470.db2.gz TZAKPFSPAPMQLZ-AWEZNQCLSA-N 0 0 320.392 3.670 50 0 DHAARN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCOCC1 ZINC000075145161 563860611 /nfs/dbraw/zinc/86/06/11/563860611.db2.gz OHAFCBQTFBTSRK-OAHLLOKOSA-N 0 0 301.430 3.803 50 0 DHAARN CC(=O)Nc1cccc(CNC(=O)CC/C=C/c2ccccc2)c1 ZINC000075142993 563860691 /nfs/dbraw/zinc/86/06/91/563860691.db2.gz INRUHWMIWHXNSJ-BJMVGYQFSA-N 0 0 322.408 3.755 50 0 DHAARN Cc1ccoc1C(=O)N[C@H](C)c1nc(-c2cccnc2)cs1 ZINC000075136655 563860804 /nfs/dbraw/zinc/86/08/04/563860804.db2.gz WHTOUUZPFBBIOR-LLVKDONJSA-N 0 0 313.382 3.598 50 0 DHAARN CC(C)(C)[C@H](O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000075157879 563861142 /nfs/dbraw/zinc/86/11/42/563861142.db2.gz WGJDDAPQVZROIL-GFCCVEGCSA-N 0 0 318.339 3.624 50 0 DHAARN Cc1cc2c(cc1-c1ccnc3ncnn31)[C@H](C)CC(C)(C)N2 ZINC000575473182 563861307 /nfs/dbraw/zinc/86/13/07/563861307.db2.gz LFBQWQCGYOJGRW-GFCCVEGCSA-N 0 0 307.401 3.797 50 0 DHAARN CC(C)(C)[C@@H](O)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000075157882 563861430 /nfs/dbraw/zinc/86/14/30/563861430.db2.gz PAOIBHIICDNADT-LBPRGKRZSA-N 0 0 319.232 3.912 50 0 DHAARN COc1ccccc1C(=O)N1CCC(c2ccsc2)CC1 ZINC000075157105 563861448 /nfs/dbraw/zinc/86/14/48/563861448.db2.gz FIGSUSXXNKBBIP-UHFFFAOYSA-N 0 0 301.411 3.777 50 0 DHAARN Fc1cccc(NC(=S)Nn2c3ccccc3[nH]c2=S)c1 ZINC000075273707 563862338 /nfs/dbraw/zinc/86/23/38/563862338.db2.gz IHJONSHHESXWMY-UHFFFAOYSA-N 0 0 318.402 3.778 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)Nn1cnc2ccccc21 ZINC000075273710 563862387 /nfs/dbraw/zinc/86/23/87/563862387.db2.gz SBUJKPJBLBJGEN-UHFFFAOYSA-N 0 0 320.274 3.831 50 0 DHAARN Fc1cc(Br)cc(NCc2nnsc2Cl)c1 ZINC000089117482 563863236 /nfs/dbraw/zinc/86/32/36/563863236.db2.gz HLASRJMSAKMJOA-UHFFFAOYSA-N 0 0 322.590 3.705 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DHAARN O=C(c1ccc(F)cc1)N1CC(OCc2ccc(Cl)cc2)C1 ZINC000035508996 563871148 /nfs/dbraw/zinc/87/11/48/563871148.db2.gz BVYGJKDXCMCZCB-UHFFFAOYSA-N 0 0 319.763 3.520 50 0 DHAARN Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000035503420 563871157 /nfs/dbraw/zinc/87/11/57/563871157.db2.gz SXZAWFKLYZTCQV-UHFFFAOYSA-N 0 0 321.355 3.521 50 0 DHAARN Brc1ccc(CN[C@H](c2nccs2)C2CC2)o1 ZINC000191207378 563871407 /nfs/dbraw/zinc/87/14/07/563871407.db2.gz GYRPBINOUIZLPQ-NSHDSACASA-N 0 0 313.220 3.740 50 0 DHAARN O=C(c1cscn1)N1CCCSc2ccc(Cl)cc21 ZINC000079721456 563871478 /nfs/dbraw/zinc/87/14/78/563871478.db2.gz MVWZALHUJIWNSC-UHFFFAOYSA-N 0 0 310.831 3.939 50 0 DHAARN O[C@@H](CSCc1coc(-c2cccs2)n1)C(F)(F)F ZINC000191106533 563871645 /nfs/dbraw/zinc/87/16/45/563871645.db2.gz IXOQCTHVCKDJAD-VIFPVBQESA-N 0 0 309.334 3.560 50 0 DHAARN COc1ccc2c(cc(C(=O)N[C@H](C)c3ccccc3)n2C)c1 ZINC000035558585 563872166 /nfs/dbraw/zinc/87/21/66/563872166.db2.gz HJTYJCJSLBNJIJ-CYBMUJFWSA-N 0 0 308.381 3.678 50 0 DHAARN 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CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(F)cc1C ZINC000123520557 563875456 /nfs/dbraw/zinc/87/54/56/563875456.db2.gz WEYCUKPZSGBCTF-UHFFFAOYSA-N 0 0 322.286 3.623 50 0 DHAARN COc1cccc(C(=O)N[C@@H](C)c2ccccc2Cl)c1OC ZINC000013010284 563875587 /nfs/dbraw/zinc/87/55/87/563875587.db2.gz SOVBEVXBUVVMQT-NSHDSACASA-N 0 0 319.788 3.848 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc2)co1 ZINC000013012283 563876020 /nfs/dbraw/zinc/87/60/20/563876020.db2.gz LZUDYCJLTHILMT-SFHVURJKSA-N 0 0 320.348 3.592 50 0 DHAARN CCOc1cc2c(cc1NC(=O)[C@H]1CC=CCC1)O[C@@H](C)C2 ZINC000013012271 563876102 /nfs/dbraw/zinc/87/61/02/563876102.db2.gz MTGUZEXKZWUBGX-STQMWFEESA-N 0 0 301.386 3.704 50 0 DHAARN O=C(CCCc1nc2ccccc2s1)Nc1ccccc1O ZINC000013018119 563876689 /nfs/dbraw/zinc/87/66/89/563876689.db2.gz ZLWOLVXWOHYVOX-UHFFFAOYSA-N 0 0 312.394 3.963 50 0 DHAARN C[C@H](Cc1ccoc1)NC(=O)c1csc(-c2ccccc2)n1 ZINC000206717971 563876767 /nfs/dbraw/zinc/87/67/67/563876767.db2.gz YTAKICFWTJHKCD-GFCCVEGCSA-N 0 0 312.394 3.764 50 0 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O=C(c1ccco1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007007686 563901272 /nfs/dbraw/zinc/90/12/72/563901272.db2.gz DWHCCDIZUJLWHO-UHFFFAOYSA-N 0 0 312.394 3.909 50 0 DHAARN CC(=O)c1ccccc1NCC(=O)Nc1ccccc1Cl ZINC000007976220 563901679 /nfs/dbraw/zinc/90/16/79/563901679.db2.gz JUCNMAMHFZLSHB-UHFFFAOYSA-N 0 0 302.761 3.593 50 0 DHAARN O=S(=O)(Nc1cccc2ccccc21)c1ccc(F)c(F)c1 ZINC000007053566 563901777 /nfs/dbraw/zinc/90/17/77/563901777.db2.gz RBVQLCUWIHQHSB-UHFFFAOYSA-N 0 0 319.332 3.919 50 0 DHAARN COc1cccc(CN2CCCC[C@H]2c2nc(C(C)C)no2)c1 ZINC000065286159 563902344 /nfs/dbraw/zinc/90/23/44/563902344.db2.gz DZYSKOBBDVZNIG-INIZCTEOSA-N 0 0 315.417 3.929 50 0 DHAARN CCc1noc([C@H]2CCCCN2Cc2ccc(F)c(F)c2)n1 ZINC000065286140 563902362 /nfs/dbraw/zinc/90/23/62/563902362.db2.gz HPVQURAXAKIHKX-CQSZACIVSA-N 0 0 307.344 3.637 50 0 DHAARN Cn1cccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000007088054 563902569 /nfs/dbraw/zinc/90/25/69/563902569.db2.gz QVHUIEPWLVFJBO-GOSISDBHSA-N 0 0 303.365 3.796 50 0 DHAARN Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1F ZINC000007116177 563903411 /nfs/dbraw/zinc/90/34/11/563903411.db2.gz AVDLFCWFTALWKG-UHFFFAOYSA-N 0 0 307.752 3.596 50 0 DHAARN Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000007200547 563904246 /nfs/dbraw/zinc/90/42/46/563904246.db2.gz ZRDNPSDUUPCZLR-RDJZCZTQSA-N 0 0 311.429 3.526 50 0 DHAARN Cc1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000007193025 563904298 /nfs/dbraw/zinc/90/42/98/563904298.db2.gz HKQPYYZTBISOFU-VIFPVBQESA-N 0 0 317.439 4.000 50 0 DHAARN CCNc1nnc(SCCCC(=O)c2cccs2)s1 ZINC000007247806 563904843 /nfs/dbraw/zinc/90/48/43/563904843.db2.gz ZELOJFLOOJPZFJ-UHFFFAOYSA-N 0 0 313.473 3.787 50 0 DHAARN Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1 ZINC000007404546 563906161 /nfs/dbraw/zinc/90/61/61/563906161.db2.gz BGCRLTDRWUMSQP-AWEZNQCLSA-N 0 0 301.411 3.525 50 0 DHAARN O=C(CNc1c(F)cccc1Cl)Nc1ccc(F)c(F)c1 ZINC000170594384 563907186 /nfs/dbraw/zinc/90/71/86/563907186.db2.gz GOTZYEABZMIJAF-UHFFFAOYSA-N 0 0 314.694 3.808 50 0 DHAARN C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)CCC1=O ZINC000170601533 563907449 /nfs/dbraw/zinc/90/74/49/563907449.db2.gz IFIYESQQOBLCKQ-QGZVFWFLSA-N 0 0 323.436 3.704 50 0 DHAARN O=C(CCCOc1ccccc1)Nc1ccc2c(=O)cc[nH]c2c1 ZINC000170610105 563907749 /nfs/dbraw/zinc/90/77/49/563907749.db2.gz LBORSQNGUQSDSH-UHFFFAOYSA-N 0 0 322.364 3.738 50 0 DHAARN CC(C)Sc1cccc(Cl)c1CN(C)Cc1ncnn1C ZINC000170607084 563907780 /nfs/dbraw/zinc/90/77/80/563907780.db2.gz IFBVJORIKOXYNU-UHFFFAOYSA-N 0 0 324.881 3.601 50 0 DHAARN CSCC[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000170612812 563907974 /nfs/dbraw/zinc/90/79/74/563907974.db2.gz NDFVQTBWYRSJNN-CQSZACIVSA-N 0 0 321.467 3.711 50 0 DHAARN c1coc(-c2cc(CSc3nnc(NC4CC4)s3)no2)c1 ZINC000007535459 563908060 /nfs/dbraw/zinc/90/80/60/563908060.db2.gz BXQSIOZQSCWWAV-UHFFFAOYSA-N 0 0 320.399 3.653 50 0 DHAARN Cc1ccc(-c2ncc(C[NH2+]CCCCCCC(=O)[O-])s2)o1 ZINC000170612889 563908127 /nfs/dbraw/zinc/90/81/27/563908127.db2.gz HEAVCUKUZADLIJ-UHFFFAOYSA-N 0 0 322.430 3.836 50 0 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563912845 /nfs/dbraw/zinc/91/28/45/563912845.db2.gz DRPOBZBWEOTKJU-CQSZACIVSA-N 0 0 322.412 3.802 50 0 DHAARN COc1ccc(OCCOc2ccccc2Cl)c(C=O)c1 ZINC000002875745 563913138 /nfs/dbraw/zinc/91/31/38/563913138.db2.gz PXSBRFCCIRXVMM-UHFFFAOYSA-N 0 0 306.745 3.619 50 0 DHAARN COc1ccc(CCNc2ncnc3ccc(C)cc32)cc1OC ZINC000170638196 563913702 /nfs/dbraw/zinc/91/37/02/563913702.db2.gz JMKJQXCAWAIOMW-UHFFFAOYSA-N 0 0 323.396 3.610 50 0 DHAARN CC[C@H](C(=O)NC[C@H](OC)c1cccc(F)c1)c1ccccc1 ZINC000208000253 563914846 /nfs/dbraw/zinc/91/48/46/563914846.db2.gz ORBOWHDLKYDHEZ-ROUUACIJSA-N 0 0 315.388 3.823 50 0 DHAARN Cc1cc(F)ccc1Oc1cc(N2CCC(C)CC2)ncn1 ZINC000037375770 563915612 /nfs/dbraw/zinc/91/56/12/563915612.db2.gz APGWZELMMQTQHP-UHFFFAOYSA-N 0 0 301.365 3.953 50 0 DHAARN CC(N=Nc1cnccn1)c1ccc(N2CCCCCC2)cc1 ZINC000252474736 563915699 /nfs/dbraw/zinc/91/56/99/563915699.db2.gz LDVAGNYOYMIKMC-UHFFFAOYSA-N 0 0 309.417 3.693 50 0 DHAARN Cc1nsc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)n1 ZINC000170643513 563915777 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Cc1cc2nc(N(C)Cc3ccccc3F)c3ccccc3n2n1 ZINC000007777109 563919127 /nfs/dbraw/zinc/91/91/27/563919127.db2.gz RSJMEKBRPIXHPE-UHFFFAOYSA-N 0 0 320.371 3.966 50 0 DHAARN FC(F)Cn1cc(N[C@H](c2ccccc2)c2ccncc2)cn1 ZINC000195553930 563919788 /nfs/dbraw/zinc/91/97/88/563919788.db2.gz HFPVTWOCDAQMBU-QGZVFWFLSA-N 0 0 314.339 3.745 50 0 DHAARN C[C@H](CNc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1 ZINC000195573139 563919847 /nfs/dbraw/zinc/91/98/47/563919847.db2.gz OKNCQFUIHNUDDY-CYBMUJFWSA-N 0 0 321.417 3.586 50 0 DHAARN C[C@@H]1c2ccsc2CCN1C(=O)CCC(=O)c1cccs1 ZINC000007829315 563919972 /nfs/dbraw/zinc/91/99/72/563919972.db2.gz NGYKPNSLGXUDPA-LLVKDONJSA-N 0 0 319.451 3.918 50 0 DHAARN COCCNc1nc(-c2ccccc2Br)cs1 ZINC000007843660 563920065 /nfs/dbraw/zinc/92/00/65/563920065.db2.gz JYSTZRBNSGTTRZ-UHFFFAOYSA-N 0 0 313.220 3.631 50 0 DHAARN COc1cccc(NC(=S)Nc2ccc3nsnc3c2)c1 ZINC000000313295 563920642 /nfs/dbraw/zinc/92/06/42/563920642.db2.gz OMPOESFIPIKBIM-UHFFFAOYSA-N 0 0 316.411 3.509 50 0 DHAARN CCOP(=O)(OCC)[C@H](O)c1ccc(Br)cc1 ZINC000002277392 563921120 /nfs/dbraw/zinc/92/11/20/563921120.db2.gz OFZFDAPSYVGZIG-NSHDSACASA-N 0 0 323.123 3.706 50 0 DHAARN C=Cc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)cc1 ZINC000253416499 563924984 /nfs/dbraw/zinc/92/49/84/563924984.db2.gz HCQPYCUHZREXNQ-CQSZACIVSA-N 0 0 313.319 3.513 50 0 DHAARN CCCC[C@@H](c1cccnc1)n1cnc2c(F)cccc2c1=O ZINC000584891295 563925452 /nfs/dbraw/zinc/92/54/52/563925452.db2.gz HEEUBBMOBHYFLQ-INIZCTEOSA-N 0 0 311.360 3.710 50 0 DHAARN CC[C@H](NC(=O)c1cc(C(C)C)no1)c1nc(C)c(C)s1 ZINC000584892637 563925562 /nfs/dbraw/zinc/92/55/62/563925562.db2.gz GFRNDJDPCCWQHT-NSHDSACASA-N 0 0 307.419 3.752 50 0 DHAARN Cc1nc([C@@H](C)NC(=O)Cn2ccc3ccccc32)c(C)s1 ZINC000584889325 563925588 /nfs/dbraw/zinc/92/55/88/563925588.db2.gz KSEVKQTZUAUTPO-LLVKDONJSA-N 0 0 313.426 3.592 50 0 DHAARN CCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2C)cc1 ZINC000027610046 563926189 /nfs/dbraw/zinc/92/61/89/563926189.db2.gz WHRUALXZEFVABV-LBPRGKRZSA-N 0 0 316.426 3.896 50 0 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DHAARN O=S(=O)(c1ccc(Cl)cc1)N(O)c1ccc(Cl)cc1 ZINC000003176924 563942640 /nfs/dbraw/zinc/94/26/40/563942640.db2.gz YNDBTTHWBGHMTK-UHFFFAOYSA-N 0 0 318.181 3.578 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OC ZINC000003174118 563942651 /nfs/dbraw/zinc/94/26/51/563942651.db2.gz JGQBFYMDBFLUEU-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN Cc1cccc(N[P@](C)(=O)c2nc3c(s2)CCCC3)c1 ZINC000003196155 563942841 /nfs/dbraw/zinc/94/28/41/563942841.db2.gz CKTWSEFPYXPJJG-LJQANCHMSA-N 0 0 306.371 3.976 50 0 DHAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2c(s1)CCC2 ZINC000003230680 563942919 /nfs/dbraw/zinc/94/29/19/563942919.db2.gz IPYZSNKPLYIUJE-UHFFFAOYSA-N 0 0 310.422 3.691 50 0 DHAARN CCN(C(=O)COC(=O)c1cccc(C)c1C)c1ccccc1 ZINC000003230053 563942925 /nfs/dbraw/zinc/94/29/25/563942925.db2.gz RHRGRQGXOZXBTF-UHFFFAOYSA-N 0 0 311.381 3.513 50 0 DHAARN CC(C)(C)c1ccccc1NC(=S)NC(=O)c1ccco1 ZINC000003225919 563943027 /nfs/dbraw/zinc/94/30/27/563943027.db2.gz NFUVONQLXUODFY-UHFFFAOYSA-N 0 0 302.399 3.704 50 0 DHAARN CCC(=O)c1ccccc1OCC(=O)Nc1c(C)cccc1C ZINC000003217562 563943035 /nfs/dbraw/zinc/94/30/35/563943035.db2.gz YTIJOOYFAIEBHO-UHFFFAOYSA-N 0 0 311.381 3.914 50 0 DHAARN O=C(Nc1ccncc1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000057882227 563943054 /nfs/dbraw/zinc/94/30/54/563943054.db2.gz HTDGZEWECYHEQN-UHFFFAOYSA-N 0 0 323.352 3.615 50 0 DHAARN CCCCn1nc(-c2ccco2)nc1[C@@H]1CCCCCN1C ZINC000670438671 563943704 /nfs/dbraw/zinc/94/37/04/563943704.db2.gz BBPQYYTYMLQOGT-AWEZNQCLSA-N 0 0 302.422 3.885 50 0 DHAARN CN(Cc1ccccc1Cl)C(=O)c1ccc([O-])c(Cl)c1 ZINC000003363252 563943729 /nfs/dbraw/zinc/94/37/29/563943729.db2.gz PFAGTTQHYVHGRJ-UHFFFAOYSA-N 0 0 310.180 3.971 50 0 DHAARN CN(Cc1nnc(C2CC2)o1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000670443417 563943845 /nfs/dbraw/zinc/94/38/45/563943845.db2.gz TTZSXASDWRUIMZ-LJQANCHMSA-N 0 0 311.429 3.747 50 0 DHAARN C[C@@H]1CCC[C@@H](NC(=O)C(C)(C)Oc2ccc(F)cc2)[C@@H]1C ZINC000031002188 563944107 /nfs/dbraw/zinc/94/41/07/563944107.db2.gz RMCQFOGBBKNGBI-XJKCOSOUSA-N 0 0 307.409 3.924 50 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DHAARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC ZINC000003938633 563944836 /nfs/dbraw/zinc/94/48/36/563944836.db2.gz BJJXHLWLUDYTGC-ANULTFPQSA-N 0 0 308.421 3.723 50 0 world DHAARN c1coc(CN[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)c1 ZINC000031815966 563944960 /nfs/dbraw/zinc/94/49/60/563944960.db2.gz YIWCSHQSZGCQDJ-IBGZPJMESA-N 0 0 307.349 3.888 50 0 DHAARN Cc1nc(-c2ccccn2)sc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000031864595 563944966 /nfs/dbraw/zinc/94/49/66/563944966.db2.gz VGRDSRLAQFIYAV-VXGBXAGGSA-N 0 0 315.442 3.917 50 0 DHAARN Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000031864587 563945000 /nfs/dbraw/zinc/94/50/00/563945000.db2.gz FXNMFAFMEOPEFJ-TXEJJXNPSA-N 0 0 315.442 3.632 50 0 DHAARN O=C1C[C@H](c2ccc(O)cc2)c2ncn(-c3ccccc3)c2N1 ZINC000032101616 563945272 /nfs/dbraw/zinc/94/52/72/563945272.db2.gz GVPHMENMMUGHQU-OAHLLOKOSA-N 0 0 305.337 3.702 50 0 DHAARN CCCCCCn1c2ccccc2nc1S[C@@H](C)C(N)=O ZINC000004246478 563945577 /nfs/dbraw/zinc/94/55/77/563945577.db2.gz ALMBXDOPPJFJAH-LBPRGKRZSA-N 0 0 305.447 3.583 50 0 DHAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1nccs1 ZINC000008007645 563946150 /nfs/dbraw/zinc/94/61/50/563946150.db2.gz KWRKIMZZAOIPHV-UHFFFAOYSA-N 0 0 307.425 3.509 50 0 DHAARN CN(C(=O)CSc1nc2cc(Cl)ccc2s1)C1CC1 ZINC000066408802 563946290 /nfs/dbraw/zinc/94/62/90/563946290.db2.gz AACRORZNZRZERF-UHFFFAOYSA-N 0 0 312.847 3.663 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(C)c2)cc1 ZINC000008027178 563946344 /nfs/dbraw/zinc/94/63/44/563946344.db2.gz DPABIHDNTJNART-UHFFFAOYSA-N 0 0 324.424 3.785 50 0 DHAARN O=C(CCc1cccnc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000008074297 563946421 /nfs/dbraw/zinc/94/64/21/563946421.db2.gz BLCFTTHZYOFALS-UHFFFAOYSA-N 0 0 310.275 3.552 50 0 DHAARN CCc1nccn1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000008048493 563946450 /nfs/dbraw/zinc/94/64/50/563946450.db2.gz SXWQTAKEWAZRQM-UHFFFAOYSA-N 0 0 318.442 3.730 50 0 DHAARN Cc1ccc(F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000008075744 563946451 /nfs/dbraw/zinc/94/64/51/563946451.db2.gz 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/nfs/dbraw/zinc/95/07/75/563950775.db2.gz VIEBUZXMVFCQDC-IBAJTVCLSA-N 0 0 303.431 3.921 50 0 DHAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C(C)C ZINC000068682437 563951194 /nfs/dbraw/zinc/95/11/94/563951194.db2.gz CXVZGMZHVNGGCE-SNVBAGLBSA-N 0 0 323.799 3.748 50 0 DHAARN CCOc1cccc(C(=O)Nc2nonc2-c2ccc(C)cc2)c1 ZINC000008916031 563951257 /nfs/dbraw/zinc/95/12/57/563951257.db2.gz IHYAZMHRJLAALD-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCCc2ccccc21 ZINC000039969212 563951301 /nfs/dbraw/zinc/95/13/01/563951301.db2.gz AKQJVBNYRXIHTP-UHFFFAOYSA-N 0 0 315.756 3.662 50 0 DHAARN O=C(NC(=S)NCc1cccc2ccccc21)c1ccccc1 ZINC000039929932 563951364 /nfs/dbraw/zinc/95/13/64/563951364.db2.gz YGRMMTIUBRGTBB-UHFFFAOYSA-N 0 0 320.417 3.644 50 0 DHAARN C[C@]1(C(=O)N2CCCc3c(F)cc(F)cc32)CC1(Cl)Cl ZINC000040090399 563951553 /nfs/dbraw/zinc/95/15/53/563951553.db2.gz ZZWRMCZIKBNIEF-CYBMUJFWSA-N 0 0 320.166 3.828 50 0 DHAARN CCCC(CCC)C(=O)Nc1c(C)nc2scc(C)n2c1=O ZINC000008931786 563951556 /nfs/dbraw/zinc/95/15/56/563951556.db2.gz IXNGHMLECLTVDS-UHFFFAOYSA-N 0 0 321.446 3.528 50 0 DHAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C1CC1 ZINC000008944945 563951558 /nfs/dbraw/zinc/95/15/58/563951558.db2.gz WUWXSTCMFICVMV-UHFFFAOYSA-N 0 0 320.186 3.735 50 0 DHAARN CCc1oc2ccccc2c1CNCc1cn2ccsc2n1 ZINC000069062089 563951741 /nfs/dbraw/zinc/95/17/41/563951741.db2.gz YANGQAJVRYNFCZ-UHFFFAOYSA-N 0 0 311.410 3.994 50 0 DHAARN CC1(C)CC[C@H](N[C@H](C(N)=O)c2ccccc2)c2ccccc21 ZINC000069097121 563951758 /nfs/dbraw/zinc/95/17/58/563951758.db2.gz OKLBIPYPDOARPN-ROUUACIJSA-N 0 0 308.425 3.615 50 0 DHAARN Cc1nc([C@@H](C)NC(=O)NCCCc2cccc(F)c2)cs1 ZINC000069113667 563951762 /nfs/dbraw/zinc/95/17/62/563951762.db2.gz YNLLXQLRJUOAJX-LLVKDONJSA-N 0 0 321.421 3.584 50 0 DHAARN S=C1N=NC(c2ccccc2)N1c1cccc2ncccc21 ZINC000008992547 563951832 /nfs/dbraw/zinc/95/18/32/563951832.db2.gz MOSNJWGTBLTLHQ-UHFFFAOYSA-N 0 0 304.378 3.771 50 0 DHAARN Cc1nnc([C@H](NCc2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000069169008 563951892 /nfs/dbraw/zinc/95/18/92/563951892.db2.gz KAASBHZREPPLNR-MRXNPFEDSA-N 0 0 312.804 3.646 50 0 DHAARN CC[C@H]1CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1 ZINC000069200929 563952053 /nfs/dbraw/zinc/95/20/53/563952053.db2.gz UZWRNPUHPDVSOU-HNNXBMFYSA-N 0 0 312.417 3.585 50 0 DHAARN CN(C)c1cccc2c([C@H](O)C(F)(F)F)ccc(N(C)C)c21 ZINC000009096703 563952340 /nfs/dbraw/zinc/95/23/40/563952340.db2.gz JASYAYWJFMJPHC-HNNXBMFYSA-N 0 0 312.335 3.568 50 0 DHAARN CCCN1c2ccc(NC(=O)C(CC)CC)cc2CCC1=O ZINC000009107115 563952384 /nfs/dbraw/zinc/95/23/84/563952384.db2.gz WNDOIKVOSIWNQI-UHFFFAOYSA-N 0 0 302.418 3.751 50 0 DHAARN Cc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 ZINC000069347557 563952423 /nfs/dbraw/zinc/95/24/23/563952423.db2.gz GBLPIIAYHWLXGV-HNNXBMFYSA-N 0 0 309.369 3.975 50 0 DHAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)CC[C@H]1CCCO1 ZINC000245287264 563952502 /nfs/dbraw/zinc/95/25/02/563952502.db2.gz BSGJPJTYAPLNQM-USXIJHARSA-N 0 0 319.449 3.522 50 0 DHAARN C/C(=C/C(=O)N(C)Cc1c(C)noc1C)CCc1ccccc1 ZINC000069417621 563952777 /nfs/dbraw/zinc/95/27/77/563952777.db2.gz PUCCEWLPSBIVJP-OWBHPGMISA-N 0 0 312.413 3.829 50 0 DHAARN Cc1cnn([C@H]2CCCN(C(=O)c3sccc3C3CC3)C2)c1 ZINC000069415577 563952789 /nfs/dbraw/zinc/95/27/89/563952789.db2.gz QTRSXVXFEXXHHI-AWEZNQCLSA-N 0 0 315.442 3.608 50 0 DHAARN Cn1cnnc1Sc1ccc(NC(=O)C(C)(C)C)cc1Cl ZINC000069464293 563953032 /nfs/dbraw/zinc/95/30/32/563953032.db2.gz AAGKAGQSHFEXOG-UHFFFAOYSA-N 0 0 324.837 3.604 50 0 DHAARN CCn1c2cccc(F)c2nc1CSc1nncn1C(C)C ZINC000069445081 563953085 /nfs/dbraw/zinc/95/30/85/563953085.db2.gz DJIVUBQPNDLFBT-UHFFFAOYSA-N 0 0 319.409 3.660 50 0 DHAARN CN(Cc1ccccn1)C(=O)Cc1cc(Cl)ccc1Cl ZINC000069492473 563953153 /nfs/dbraw/zinc/95/31/53/563953153.db2.gz OGGDTZRDKPKYBU-UHFFFAOYSA-N 0 0 309.196 3.590 50 0 DHAARN O=[S@](Cc1coc(-c2cccs2)n1)Cc1cccc(F)c1 ZINC000069487609 563953224 /nfs/dbraw/zinc/95/32/24/563953224.db2.gz VCNMOFDWOMKRNO-OAQYLSRUSA-N 0 0 321.398 3.991 50 0 DHAARN O=[S@@](Cc1coc(-c2cccs2)n1)Cc1cccc(F)c1 ZINC000069487606 563953237 /nfs/dbraw/zinc/95/32/37/563953237.db2.gz VCNMOFDWOMKRNO-NRFANRHFSA-N 0 0 321.398 3.991 50 0 DHAARN CN(C(=O)c1ccco1)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000069527733 563953256 /nfs/dbraw/zinc/95/32/56/563953256.db2.gz ULYUBBDCZOTFPP-UHFFFAOYSA-N 0 0 318.804 3.674 50 0 DHAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1O ZINC000069532912 563953365 /nfs/dbraw/zinc/95/33/65/563953365.db2.gz JCLKGGFMDKQSPP-ZDUSSCGKSA-N 0 0 309.365 3.901 50 0 DHAARN C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1cccnc1 ZINC000009155845 563953520 /nfs/dbraw/zinc/95/35/20/563953520.db2.gz MQKZDBNBCINLRS-CYBMUJFWSA-N 0 0 317.392 3.998 50 0 DHAARN COc1cc(Cl)ccc1C(=O)N(Cc1ccccn1)C1CC1 ZINC000069585787 563953727 /nfs/dbraw/zinc/95/37/27/563953727.db2.gz IYFQUOAINVZHAQ-UHFFFAOYSA-N 0 0 316.788 3.548 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](c3ccccc3C)C2)c1C ZINC000069582047 563953792 /nfs/dbraw/zinc/95/37/92/563953792.db2.gz WCTFYSSBJWEQRP-MRXNPFEDSA-N 0 0 324.424 3.772 50 0 DHAARN CC(C)c1noc(-c2ccc(NC(=O)c3ccccn3)cc2)n1 ZINC000069653574 563953903 /nfs/dbraw/zinc/95/39/03/563953903.db2.gz JWNNSRBYGWOXAM-UHFFFAOYSA-N 0 0 308.341 3.507 50 0 DHAARN COc1ccccc1[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1Cl ZINC000069620087 563953914 /nfs/dbraw/zinc/95/39/14/563953914.db2.gz OPEZGMCXKJDKSJ-HIFRSBDPSA-N 0 0 319.763 3.774 50 0 DHAARN Cn1cc(C(=O)Nc2cccc(Cl)c2SC(F)F)cn1 ZINC000069626138 563953919 /nfs/dbraw/zinc/95/39/19/563953919.db2.gz XTUDZWDZZBHONZ-UHFFFAOYSA-N 0 0 317.748 3.641 50 0 DHAARN CC[C@H](C)C(=O)Nc1nnc(CCCOc2ccccc2)s1 ZINC000009196797 563954001 /nfs/dbraw/zinc/95/40/01/563954001.db2.gz KTZMSZADZXWYIV-LBPRGKRZSA-N 0 0 319.430 3.534 50 0 DHAARN CC(C)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1 ZINC000069661603 563954093 /nfs/dbraw/zinc/95/40/93/563954093.db2.gz MRYXPBGQGRIWTE-UHFFFAOYSA-N 0 0 310.279 3.610 50 0 DHAARN Cc1ccc(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)cc1 ZINC000009228492 563954123 /nfs/dbraw/zinc/95/41/23/563954123.db2.gz AOKLFCLVIRDETD-UHFFFAOYSA-N 0 0 317.388 3.880 50 0 DHAARN O=C(CS[C@H]1CCCc2ccccc21)NCc1ccccn1 ZINC000069777285 563954494 /nfs/dbraw/zinc/95/44/94/563954494.db2.gz YUJYDMGVKDQSIP-KRWDZBQOSA-N 0 0 312.438 3.509 50 0 DHAARN Cc1ccc(C)c(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)c1 ZINC000009273441 563954721 /nfs/dbraw/zinc/95/47/21/563954721.db2.gz NXZVPADFRVYNBJ-UHFFFAOYSA-N 0 0 311.768 3.963 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)cc1 ZINC000069813032 563954796 /nfs/dbraw/zinc/95/47/96/563954796.db2.gz VJWXWAQLYXZZJP-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)CCCc2cccs2)c1 ZINC000009314603 563954909 /nfs/dbraw/zinc/95/49/09/563954909.db2.gz FUXZQOTTXZSDOG-UHFFFAOYSA-N 0 0 302.399 3.668 50 0 DHAARN O=C(N[C@H]1CCSc2ccccc21)c1cc(F)cc(F)c1 ZINC000009315637 563954912 /nfs/dbraw/zinc/95/49/12/563954912.db2.gz BDYQRYONAVQDJJ-AWEZNQCLSA-N 0 0 305.349 3.932 50 0 DHAARN O=C(CSc1nc2ccccc2n1C(F)F)c1ccc[nH]1 ZINC000009314705 563954932 /nfs/dbraw/zinc/95/49/32/563954932.db2.gz ULSIEUNRQGTTID-UHFFFAOYSA-N 0 0 307.325 3.735 50 0 DHAARN Cc1ccc(-c2noc(C[S@](=O)CC3CCCCC3)n2)cc1 ZINC000069847295 563955015 /nfs/dbraw/zinc/95/50/15/563955015.db2.gz DWAHXLFWXJJFTK-QFIPXVFZSA-N 0 0 318.442 3.874 50 0 DHAARN Cc1cnc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 ZINC000069950385 563955450 /nfs/dbraw/zinc/95/54/50/563955450.db2.gz UNPYOGLONLUMKF-IBGZPJMESA-N 0 0 306.413 3.994 50 0 DHAARN O=C(CCc1ccsc1)Nc1nc(-c2ccccn2)cs1 ZINC000009368860 563955529 /nfs/dbraw/zinc/95/55/29/563955529.db2.gz HFWCAEWCEDXLHY-UHFFFAOYSA-N 0 0 315.423 3.838 50 0 DHAARN Cc1cccc(C[S@](=O)Cc2noc(-c3ccsc3)n2)c1 ZINC000069975810 563955625 /nfs/dbraw/zinc/95/56/25/563955625.db2.gz QOXVVZKCXLTRBK-OAQYLSRUSA-N 0 0 318.423 3.555 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)cc1C ZINC000041095847 563955639 /nfs/dbraw/zinc/95/56/39/563955639.db2.gz MGUIYNYEJGIVSY-UHFFFAOYSA-N 0 0 315.438 3.753 50 0 DHAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000009387542 563955671 /nfs/dbraw/zinc/95/56/71/563955671.db2.gz FVRMRXWQNDBNEH-UHFFFAOYSA-N 0 0 312.394 3.600 50 0 DHAARN COc1ccc(C(=O)c2oc3cc(NC(C)=O)ccc3c2C)cc1 ZINC000009419238 563955756 /nfs/dbraw/zinc/95/57/56/563955756.db2.gz DDLYHBJBTLIDFT-UHFFFAOYSA-N 0 0 323.348 3.939 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)on1 ZINC000009389147 563955819 /nfs/dbraw/zinc/95/58/19/563955819.db2.gz BFQPPHTUFITJLS-UHFFFAOYSA-N 0 0 304.655 3.908 50 0 DHAARN CCCC(=O)Nc1ccc(-c2csc(NC(C)=O)n2)cc1 ZINC000009417274 563955831 /nfs/dbraw/zinc/95/58/31/563955831.db2.gz LDGJLALXBHHCPO-UHFFFAOYSA-N 0 0 303.387 3.507 50 0 DHAARN CC(C)c1noc(-c2ccc(NC(=O)c3cccnc3)cc2)n1 ZINC000070019311 563955894 /nfs/dbraw/zinc/95/58/94/563955894.db2.gz XMMOOOBJRNVNIJ-UHFFFAOYSA-N 0 0 308.341 3.507 50 0 DHAARN C[C@@H]1CCc2[nH]nc(-c3nc(-c4ccccc4Cl)no3)c2C1 ZINC000009421128 563955992 /nfs/dbraw/zinc/95/59/92/563955992.db2.gz SMAGGSHSQFMUBJ-SECBINFHSA-N 0 0 314.776 3.905 50 0 DHAARN COc1ccc(CN(C)C(=O)Nc2ccccc2F)c(OC)c1 ZINC000009512056 563956319 /nfs/dbraw/zinc/95/63/19/563956319.db2.gz IVKQNGRNXBQIAU-UHFFFAOYSA-N 0 0 318.348 3.507 50 0 DHAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cc(Cl)ccn1 ZINC000009497308 563956498 /nfs/dbraw/zinc/95/64/98/563956498.db2.gz VLWKJDGETNWPST-UHFFFAOYSA-N 0 0 322.821 3.887 50 0 DHAARN CCn1nc(C)c(CNC(=O)Nc2ccc(F)c(Cl)c2)c1C ZINC000009527618 563956601 /nfs/dbraw/zinc/95/66/01/563956601.db2.gz HGHBNMHHENOIHA-UHFFFAOYSA-N 0 0 324.787 3.634 50 0 DHAARN CCn1nc(C)c(CNC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000009527617 563956673 /nfs/dbraw/zinc/95/66/73/563956673.db2.gz XOIRYKUUOIJJRS-UHFFFAOYSA-N 0 0 320.824 3.803 50 0 DHAARN CCn1nc(C)c(CNC(=O)Nc2cccc(SC)c2)c1C ZINC000009527636 563956681 /nfs/dbraw/zinc/95/66/81/563956681.db2.gz DMDRYPIENNNUPW-UHFFFAOYSA-N 0 0 318.446 3.563 50 0 DHAARN c1csc(-c2nnc(Sc3cnc4ccccc4n3)o2)c1 ZINC000041872894 563957239 /nfs/dbraw/zinc/95/72/39/563957239.db2.gz TZPZVMLRRIDVBZ-UHFFFAOYSA-N 0 0 312.379 3.893 50 0 DHAARN O=C(Nc1cccc(F)c1)c1n[nH]c2c1CCc1ccccc1-2 ZINC000009728209 563957600 /nfs/dbraw/zinc/95/76/00/563957600.db2.gz ZTMNRQABQFOFKJ-UHFFFAOYSA-N 0 0 307.328 3.567 50 0 DHAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000009919089 563957902 /nfs/dbraw/zinc/95/79/02/563957902.db2.gz ICWXKNNZZQLSEH-CQSZACIVSA-N 0 0 312.413 3.561 50 0 DHAARN CCCc1ccc(OCc2ccc(C(=O)N(C)C)o2)c(OC)c1 ZINC000071405964 563958084 /nfs/dbraw/zinc/95/80/84/563958084.db2.gz BMDXOJBMSPEIAV-UHFFFAOYSA-N 0 0 317.385 3.522 50 0 DHAARN CC1=C(C(=S)Nc2ccccc2)[C@H](c2ccccc2)NC(=O)N1 ZINC000010272194 563958287 /nfs/dbraw/zinc/95/82/87/563958287.db2.gz PGQRHNXZEOIQIP-INIZCTEOSA-N 0 0 323.421 3.754 50 0 DHAARN O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1F ZINC000010221336 563958302 /nfs/dbraw/zinc/95/83/02/563958302.db2.gz LYTARGKOONOMHO-UHFFFAOYSA-N 0 0 301.336 3.817 50 0 DHAARN Cc1ccccc1/N=c1\scc(-c2cccs2)n1CCO ZINC000010187289 563958368 /nfs/dbraw/zinc/95/83/68/563958368.db2.gz PEWKZWKFCRDGLS-MSUUIHNZSA-N 0 0 316.451 3.811 50 0 DHAARN Cn1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)cn1 ZINC000071796955 563958542 /nfs/dbraw/zinc/95/85/42/563958542.db2.gz FGMHDFSXWFPDSB-AWEZNQCLSA-N 0 0 311.410 3.612 50 0 DHAARN COc1cc(CC(=O)Nc2ccccc2SC)ccc1C ZINC000010410826 563958953 /nfs/dbraw/zinc/95/89/53/563958953.db2.gz XXYVBJJOAJCEMS-UHFFFAOYSA-N 0 0 301.411 3.907 50 0 DHAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010503777 563959430 /nfs/dbraw/zinc/95/94/30/563959430.db2.gz UZWBECPRXUNDMK-CQSZACIVSA-N 0 0 323.371 3.722 50 0 DHAARN Cc1cnn([C@H]2CCCN(C(=O)c3cc4cccc(C)c4o3)C2)c1 ZINC000071870931 563959470 /nfs/dbraw/zinc/95/94/70/563959470.db2.gz GDQSFSULLCCYSE-INIZCTEOSA-N 0 0 323.396 3.723 50 0 DHAARN O=C(Nc1cccc(-c2ccsc2)c1)NC1CCC(O)CC1 ZINC000071862721 563959490 /nfs/dbraw/zinc/95/94/90/563959490.db2.gz RHNUZHLCCRIEAB-UHFFFAOYSA-N 0 0 316.426 3.840 50 0 DHAARN Cn1ccnc1-c1cccc(NC(=O)N2CC[C@H]3CCCC[C@@H]32)c1 ZINC000077445023 563960616 /nfs/dbraw/zinc/96/06/16/563960616.db2.gz KLAUQSMGVWPVDI-PBHICJAKSA-N 0 0 324.428 3.884 50 0 DHAARN Cc1nc2ccccc2nc1SCc1nccn1C(F)F ZINC000073955301 563960621 /nfs/dbraw/zinc/96/06/21/563960621.db2.gz HOPOTHTUCBYZGM-UHFFFAOYSA-N 0 0 306.341 3.822 50 0 DHAARN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1csc(C2CC2)n1 ZINC000076999374 563960760 /nfs/dbraw/zinc/96/07/60/563960760.db2.gz ZOYPOFLUAACJSW-HOTGVXAUSA-N 0 0 312.438 3.749 50 0 DHAARN CSc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1 ZINC000077672799 563961045 /nfs/dbraw/zinc/96/10/45/563961045.db2.gz JAQFMHGHRULOBT-MRXNPFEDSA-N 0 0 316.426 3.654 50 0 DHAARN Cc1nc2nc3c(c(Nc4ccc5c(c4)CCC5)n2n1)CCCC3 ZINC000035463255 563961806 /nfs/dbraw/zinc/96/18/06/563961806.db2.gz VMQRYGMUBUVHHR-UHFFFAOYSA-N 0 0 319.412 3.544 50 0 DHAARN CCC(=O)Oc1cc(OC)ccc1C(=O)/C=C\c1ccccc1 ZINC000035419541 563961837 /nfs/dbraw/zinc/96/18/37/563961837.db2.gz TURPHBIPVVPUDA-XFXZXTDPSA-N 0 0 310.349 3.907 50 0 DHAARN COc1cc(-c2noc(C)n2)ccc1OCc1ccccc1F ZINC000035820667 563961906 /nfs/dbraw/zinc/96/19/06/563961906.db2.gz YBQYBDRBYSDXJU-UHFFFAOYSA-N 0 0 314.316 3.772 50 0 DHAARN CCNC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013631459 568412547 /nfs/dbraw/zinc/41/25/47/568412547.db2.gz OJVAIEPTARQWBA-UHFFFAOYSA-N 0 0 317.776 3.734 50 0 DHAARN COc1ccc(C)cc1NC(=O)[C@@H](C)SCc1cc(C)no1 ZINC000025691950 568412712 /nfs/dbraw/zinc/41/27/12/568412712.db2.gz PHYBNXZUSBNACT-GFCCVEGCSA-N 0 0 320.414 3.560 50 0 DHAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)cn2)C1(C)C ZINC000025665959 568412807 /nfs/dbraw/zinc/41/28/07/568412807.db2.gz NIUADVHLGSHPRS-WBVHZDCISA-N 0 0 313.445 3.859 50 0 DHAARN Cc1ccc([C@@H](CNc2nccc(C(F)(F)F)n2)[NH+](C)C)cc1 ZINC000067383168 568413495 /nfs/dbraw/zinc/41/34/95/568413495.db2.gz BTBKHXMRTMSIRZ-CYBMUJFWSA-N 0 0 324.350 3.519 50 0 DHAARN Cc1cccc(NCc2ccc(NC(=O)c3cccnc3)cc2)n1 ZINC000097096499 568413603 /nfs/dbraw/zinc/41/36/03/568413603.db2.gz UBOTWXFAWJEKNM-UHFFFAOYSA-N 0 0 318.380 3.649 50 0 DHAARN O=C(Nc1cc(Cl)ccc1N1CCCCCC1)[C@@H]1CCCO1 ZINC000007985171 568413614 /nfs/dbraw/zinc/41/36/14/568413614.db2.gz AKWJSSREQLILJD-INIZCTEOSA-N 0 0 322.836 3.838 50 0 DHAARN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccnc(N3CCCC[C@H]3C)c2)C1 ZINC000252477634 568413791 /nfs/dbraw/zinc/41/37/91/568413791.db2.gz 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/nfs/dbraw/zinc/10/56/68/191105668.db2.gz HYXUFWPWLVJLCF-OAHLLOKOSA-N 0 0 315.442 3.615 50 0 DHAARN CC[C@@H](OC1CCCC1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000072298585 191112742 /nfs/dbraw/zinc/11/27/42/191112742.db2.gz HNKPXHLHLWJYSF-LSDHHAIUSA-N 0 0 322.474 3.935 50 0 DHAARN Cc1nc([C@@H]2CCCN(C(=O)c3ccoc3C)C2)sc1C ZINC000072297532 191113178 /nfs/dbraw/zinc/11/31/78/191113178.db2.gz HHDHEMGVGITKEH-CYBMUJFWSA-N 0 0 304.415 3.681 50 0 DHAARN C[C@@H](NC(=O)NCc1ccccn1)c1cc2cc(F)ccc2o1 ZINC000225619124 186284002 /nfs/dbraw/zinc/28/40/02/186284002.db2.gz MPLOLVAHRTTZNK-LLVKDONJSA-N 0 0 313.332 3.527 50 0 DHAARN C[C@H](NC(=O)NCc1ccncc1)c1cc2cc(F)ccc2o1 ZINC000225619216 186284124 /nfs/dbraw/zinc/28/41/24/186284124.db2.gz GDXHMLSAPCRRHX-NSHDSACASA-N 0 0 313.332 3.527 50 0 DHAARN O=C(NCc1cccnc1-c1cccnc1)c1cccc(Cl)c1 ZINC000225643157 186286330 /nfs/dbraw/zinc/28/63/30/186286330.db2.gz BTIVQLMIPOIMPC-UHFFFAOYSA-N 0 0 323.783 3.727 50 0 DHAARN O=C(Cc1ccsc1)NCc1ccnc(-c2cccs2)c1 ZINC000225652184 186287171 /nfs/dbraw/zinc/28/71/71/186287171.db2.gz TUWPJLQHUPABNK-UHFFFAOYSA-N 0 0 314.435 3.731 50 0 DHAARN O=C(NCc1cccnc1-c1ccco1)c1cccc(Cl)c1 ZINC000225661600 186287565 /nfs/dbraw/zinc/28/75/65/186287565.db2.gz GUSRMHKPKPDJDF-UHFFFAOYSA-N 0 0 312.756 3.925 50 0 DHAARN Cc1c[nH]nc1NC(=O)Nc1cccc(Cl)c1OC(C)C ZINC000225681680 186288725 /nfs/dbraw/zinc/28/87/25/186288725.db2.gz ZYYGDRMPEGNLMO-UHFFFAOYSA-N 0 0 308.769 3.803 50 0 DHAARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cc1ccc(Cl)s1 ZINC000253392276 186303139 /nfs/dbraw/zinc/30/31/39/186303139.db2.gz KUPLIGBKGPYBIZ-GFCCVEGCSA-N 0 0 323.849 3.648 50 0 DHAARN CC(C)Cc1nc2cc(NC(=O)[C@@H](C)n3cccc3)ccc2[nH]1 ZINC000253398391 186306248 /nfs/dbraw/zinc/30/62/48/186306248.db2.gz CCNLUVYQRKNQBN-CYBMUJFWSA-N 0 0 310.401 3.763 50 0 DHAARN C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000072328224 191123353 /nfs/dbraw/zinc/12/33/53/191123353.db2.gz UQQYOXULQYCWAZ-GFCCVEGCSA-N 0 0 309.344 3.707 50 0 DHAARN Cc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2C)cc1 ZINC000072328958 191123889 /nfs/dbraw/zinc/12/38/89/191123889.db2.gz FVNFWYYIHXMWDS-UHFFFAOYSA-N 0 0 305.381 3.624 50 0 DHAARN Cc1cccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000072329130 191124304 /nfs/dbraw/zinc/12/43/04/191124304.db2.gz UPFUWAPDESWMCX-CQSZACIVSA-N 0 0 305.381 3.876 50 0 DHAARN COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc21 ZINC000072329586 191124372 /nfs/dbraw/zinc/12/43/72/191124372.db2.gz KCZXEVGQNPXOPL-LBPRGKRZSA-N 0 0 324.355 3.874 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)Nc1cnc2ccccc2c1 ZINC000072406511 191152671 /nfs/dbraw/zinc/15/26/71/191152671.db2.gz PGMYFJRMVYDFEX-UHFFFAOYSA-N 0 0 316.364 3.682 50 0 DHAARN Cc1cccc2c1ccn2CCC(=O)N1CCc2ccccc2C1 ZINC000072406380 191153190 /nfs/dbraw/zinc/15/31/90/191153190.db2.gz UTZOFUWENBKWES-UHFFFAOYSA-N 0 0 318.420 3.925 50 0 DHAARN Oc1ccccc1-c1ccnc2cc(-c3ccc(F)cc3)nn21 ZINC000072405697 191151961 /nfs/dbraw/zinc/15/19/61/191151961.db2.gz KLOCASTVOUMFLW-UHFFFAOYSA-N 0 0 305.312 3.908 50 0 DHAARN COc1ccc(Nc2nc3ccccc3c(N3CCCC3)n2)cc1 ZINC000000090354 180689556 /nfs/dbraw/zinc/68/95/56/180689556.db2.gz KTUXKFMNVISAKF-UHFFFAOYSA-N 0 0 320.396 3.982 50 0 DHAARN OC1(CCn2ccnc2-c2c(F)ccc(F)c2F)CCCC1 ZINC000072420032 191157576 /nfs/dbraw/zinc/15/75/76/191157576.db2.gz GRKVUNSEPJJNDV-UHFFFAOYSA-N 0 0 310.319 3.663 50 0 DHAARN O=C1CS[C@@H](c2cccnc2)N1c1ccc(C(F)(F)F)cc1 ZINC000000101634 180693247 /nfs/dbraw/zinc/69/32/47/180693247.db2.gz KMIMHJOXYRSZLO-AWEZNQCLSA-N 0 0 324.327 3.879 50 0 DHAARN O=C1OC(c2cccs2)=N/C1=C/c1ccc(OC(F)F)cc1 ZINC000000126648 180701123 /nfs/dbraw/zinc/70/11/23/180701123.db2.gz LMYWHNPOHWYOHM-DHZHZOJOSA-N 0 0 321.304 3.694 50 0 DHAARN O=C(Nc1ccccc1)c1cnc(-c2ccc3c(c2)CCO3)s1 ZINC000000113643 180696909 /nfs/dbraw/zinc/69/69/09/180696909.db2.gz JDBBPCUPCLWJTN-UHFFFAOYSA-N 0 0 322.389 3.997 50 0 DHAARN Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3)c2)nn1 ZINC000072437341 191165880 /nfs/dbraw/zinc/16/58/80/191165880.db2.gz GJBUEITUVIBIHN-UHFFFAOYSA-N 0 0 323.327 3.969 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000000123961 180700676 /nfs/dbraw/zinc/70/06/76/180700676.db2.gz IENRFPGDTRVDHK-UHFFFAOYSA-N 0 0 315.394 3.666 50 0 DHAARN Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N)n1 ZINC000072446711 191168422 /nfs/dbraw/zinc/16/84/22/191168422.db2.gz GGDRJGQUHNGVIA-UHFFFAOYSA-N 0 0 302.687 3.783 50 0 DHAARN CC(=O)c1nnn(-c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000000141453 180705911 /nfs/dbraw/zinc/70/59/11/180705911.db2.gz MBDYGIXLBOYBRX-UHFFFAOYSA-N 0 0 304.564 3.739 50 0 DHAARN CCn1c(C)cc(C(=O)N2CCCC[C@H]2c2ccccn2)c1C ZINC000072448285 191169698 /nfs/dbraw/zinc/16/96/98/191169698.db2.gz ZTEHVFXGXCZALB-SFHVURJKSA-N 0 0 311.429 3.887 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000000130749 180702848 /nfs/dbraw/zinc/70/28/48/180702848.db2.gz QZYMLEBGYOKEGN-UHFFFAOYSA-N 0 0 311.381 3.716 50 0 DHAARN CCn1c(C)cc(C(=O)N2CCCC[C@@H]2c2ccccn2)c1C ZINC000072448284 191170353 /nfs/dbraw/zinc/17/03/53/191170353.db2.gz ZTEHVFXGXCZALB-GOSISDBHSA-N 0 0 311.429 3.887 50 0 DHAARN COc1ccc(OC(=O)COc2c(C)ccc(C)c2C)cc1 ZINC000000148537 180708784 /nfs/dbraw/zinc/70/87/84/180708784.db2.gz CELJECWKXHGPBQ-UHFFFAOYSA-N 0 0 300.354 3.605 50 0 DHAARN COc1cccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000000156316 180711118 /nfs/dbraw/zinc/71/11/18/180711118.db2.gz AGSDSKNRZAXANN-UHFFFAOYSA-N 0 0 314.772 3.760 50 0 DHAARN CCc1ccc([C@H]2C[C@H](c3ccccc3F)n3nnnc3N2)cc1 ZINC000000222822 180731136 /nfs/dbraw/zinc/73/11/36/180731136.db2.gz NXGNDKJCZITQPP-IAGOWNOFSA-N 0 0 323.375 3.521 50 0 DHAARN Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)c(C)c1 ZINC000000264158 180741829 /nfs/dbraw/zinc/74/18/29/180741829.db2.gz JTYRFVQBRYUFJP-UHFFFAOYSA-N 0 0 306.365 3.709 50 0 DHAARN CCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 ZINC000000264119 180741867 /nfs/dbraw/zinc/74/18/67/180741867.db2.gz RJPMNOAUTQFVHL-UHFFFAOYSA-N 0 0 306.365 3.655 50 0 DHAARN c1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000000274143 180744936 /nfs/dbraw/zinc/74/49/36/180744936.db2.gz OEMHONYVUKOGCQ-UHFFFAOYSA-N 0 0 306.394 3.885 50 0 DHAARN CCOc1cc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)ccc1O ZINC000000316355 180757593 /nfs/dbraw/zinc/75/75/93/180757593.db2.gz QHALZACAAMKUSS-CQSZACIVSA-N 0 0 311.381 3.882 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3)ccc12 ZINC000000310151 180755580 /nfs/dbraw/zinc/75/55/80/180755580.db2.gz HLFUNXKHPYLLSF-UHFFFAOYSA-N 0 0 314.724 3.974 50 0 DHAARN CC[C@](C)(NCc1cccc(NC(C)=O)c1)c1nccs1 ZINC000072683646 191214529 /nfs/dbraw/zinc/21/45/29/191214529.db2.gz TUDFMYHDCVAJIW-INIZCTEOSA-N 0 0 303.431 3.517 50 0 DHAARN COc1ccccc1CNC(=O)c1ccc(Cl)cc1Cl ZINC000000299947 180751783 /nfs/dbraw/zinc/75/17/83/180751783.db2.gz VHWRSBFHVFCAMN-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN COc1ccc([C@H](C)NC(=O)COc2ccccc2Cl)cc1 ZINC000000372355 180769328 /nfs/dbraw/zinc/76/93/28/180769328.db2.gz DXTUYGBGFKSVBW-LBPRGKRZSA-N 0 0 319.788 3.605 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)no1 ZINC000000372151 180769396 /nfs/dbraw/zinc/76/93/96/180769396.db2.gz PLWVXUYTAUQFGK-UHFFFAOYSA-N 0 0 304.655 3.908 50 0 DHAARN CC(=O)COc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 ZINC000000383211 180772968 /nfs/dbraw/zinc/77/29/68/180772968.db2.gz GECRBNCHXAEHKN-UHFFFAOYSA-N 0 0 302.370 3.658 50 0 DHAARN Cc1ccc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)cc1 ZINC000000385308 180773909 /nfs/dbraw/zinc/77/39/09/180773909.db2.gz IZGDKKCPUKXQAK-UHFFFAOYSA-N 0 0 324.384 3.891 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000000362428 180767015 /nfs/dbraw/zinc/76/70/15/180767015.db2.gz OAFGWEXHSIXWRR-NSHDSACASA-N 0 0 320.186 3.855 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000000365123 180768208 /nfs/dbraw/zinc/76/82/08/180768208.db2.gz BPPSKNAPHRLTSB-LLVKDONJSA-N 0 0 305.761 3.760 50 0 DHAARN COc1cc(OC)c(C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000000365314 180768301 /nfs/dbraw/zinc/76/83/01/180768301.db2.gz QVAZAUXANZJDOQ-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN O=C(OCn1c(=O)sc2ccccc21)c1ccccc1Cl ZINC000000404980 180778204 /nfs/dbraw/zinc/77/82/04/180778204.db2.gz FULSFJLOYAIBEK-UHFFFAOYSA-N 0 0 319.769 3.531 50 0 DHAARN CCOc1cccc(OC)c1[C@@](O)(c1ccccc1)C(C)C ZINC000000399600 180777244 /nfs/dbraw/zinc/77/72/44/180777244.db2.gz KLJRJPVXKJCMDM-IBGZPJMESA-N 0 0 300.398 3.986 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)O[C@H]2CCC[C@@H](C)C2)cc1 ZINC000000399733 180777359 /nfs/dbraw/zinc/77/73/59/180777359.db2.gz QDMCVMQSCWMEDQ-DOMZBBRYSA-N 0 0 305.374 3.991 50 0 DHAARN CC1(C)Oc2cc(Br)c(Br)cc2O1 ZINC000000400163 180777680 /nfs/dbraw/zinc/77/76/80/180777680.db2.gz OIZDJNUXYCYWEY-UHFFFAOYSA-N 0 0 307.969 3.719 50 0 DHAARN O=C(NCc1ccccc1)c1cc(-c2cccc(Cl)c2)on1 ZINC000000425652 180786074 /nfs/dbraw/zinc/78/60/74/180786074.db2.gz SMGWJVXTEBOAMY-UHFFFAOYSA-N 0 0 312.756 3.925 50 0 aggregator DHAARN COc1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000000439769 180791408 /nfs/dbraw/zinc/79/14/08/180791408.db2.gz RBMKITBHKKVZCN-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN COc1cccc(-c2cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)no2)c1 ZINC000000423670 180785104 /nfs/dbraw/zinc/78/51/04/180785104.db2.gz IQTSEZUEQHWNHN-STQMWFEESA-N 0 0 314.385 3.753 50 0 DHAARN COc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 ZINC000000423932 180785311 /nfs/dbraw/zinc/78/53/11/180785311.db2.gz DRRUCDHMJYXWIK-INIZCTEOSA-N 0 0 303.358 3.613 50 0 DHAARN CCOc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 ZINC000000455178 180796532 /nfs/dbraw/zinc/79/65/32/180796532.db2.gz RMPHLJSGGSXOPK-UHFFFAOYSA-N 0 0 314.410 3.521 50 0 DHAARN S=C(NCc1ccco1)Nc1ccc(Br)cc1 ZINC000000458602 180797206 /nfs/dbraw/zinc/79/72/06/180797206.db2.gz PKSMEZHSVZEMAD-UHFFFAOYSA-N 0 0 311.204 3.529 50 0 DHAARN Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3cccc(C)c32)cc1 ZINC000000460167 180797904 /nfs/dbraw/zinc/79/79/04/180797904.db2.gz NYPYCIIBCIIIMY-UHFFFAOYSA-N 0 0 320.392 3.565 50 0 DHAARN COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000000461648 180798363 /nfs/dbraw/zinc/79/83/63/180798363.db2.gz WGWILZHXUSAGBT-UHFFFAOYSA-N 0 0 322.817 3.936 50 0 DHAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000000461714 180798427 /nfs/dbraw/zinc/79/84/27/180798427.db2.gz GFPVOEFEWWXHAU-GFCCVEGCSA-N 0 0 321.779 3.871 50 0 DHAARN CC[C@H](C)c1ccc(OCc2nnc(NC(C)=O)s2)cc1 ZINC000000447933 180794342 /nfs/dbraw/zinc/79/43/42/180794342.db2.gz LIZUTYVIEBEFKY-JTQLQIEISA-N 0 0 305.403 3.589 50 0 DHAARN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccccc2)c1 ZINC000000451260 180795355 /nfs/dbraw/zinc/79/53/55/180795355.db2.gz UNMOZEJSLGIJEV-CQSZACIVSA-N 0 0 313.397 3.514 50 0 DHAARN O=C(CSc1ccc(Cl)cc1)OCC(=O)c1ccccc1 ZINC000000455073 180796380 /nfs/dbraw/zinc/79/63/80/180796380.db2.gz HCIJBXYYGHKXKM-UHFFFAOYSA-N 0 0 320.797 3.858 50 0 DHAARN COc1ccc(CCNC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000000475579 180802596 /nfs/dbraw/zinc/80/25/96/180802596.db2.gz HAMJWOZWTNRDGC-JXMROGBWSA-N 0 0 315.800 3.721 50 0 DHAARN Fc1ccc(-c2nnc3sc(-c4cccs4)nn32)cc1 ZINC000000481680 180804570 /nfs/dbraw/zinc/80/45/70/180804570.db2.gz JMWNQQHWBLPXFG-UHFFFAOYSA-N 0 0 302.359 3.720 50 0 DHAARN Nn1c(SCc2ccccc2)nnc1-c1ccccc1Cl ZINC000000527467 180813394 /nfs/dbraw/zinc/81/33/94/180813394.db2.gz STDBRNKKDYJMKZ-UHFFFAOYSA-N 0 0 316.817 3.605 50 0 DHAARN O=C1C[C@H](c2cccs2)Sc2nc(-c3ccccc3)nn21 ZINC000000551904 180819767 /nfs/dbraw/zinc/81/97/67/180819767.db2.gz QKWRASQTBWFEFF-GFCCVEGCSA-N 0 0 313.407 3.884 50 0 DHAARN O=C(Oc1ccc2ccc(=O)oc2c1)c1ccccc1Cl ZINC000000575958 180825129 /nfs/dbraw/zinc/82/51/29/180825129.db2.gz BPIRKIIXPRIOIS-UHFFFAOYSA-N 0 0 300.697 3.666 50 0 biogenic DHAARN Nc1nc(Nc2ccc(Br)cc2)nc2ccccc12 ZINC000000572956 180825272 /nfs/dbraw/zinc/82/52/72/180825272.db2.gz CDQSYKJAGBXWIV-UHFFFAOYSA-N 0 0 315.174 3.718 50 0 DHAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)cc1 ZINC000000613536 180829157 /nfs/dbraw/zinc/82/91/57/180829157.db2.gz PYNTXKFZALEOBX-GOSISDBHSA-N 0 0 312.344 3.532 50 0 DHAARN COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 ZINC000000609546 180827303 /nfs/dbraw/zinc/82/73/03/180827303.db2.gz HCEDRSVSPNBTHY-UHFFFAOYSA-N 0 0 317.772 3.698 50 0 DHAARN Cc1cc2nc(NC(=S)NCc3ccco3)sc2cc1C ZINC000000610900 180827996 /nfs/dbraw/zinc/82/79/96/180827996.db2.gz QFUOBHSRWSBRSJ-UHFFFAOYSA-N 0 0 317.439 3.993 50 0 DHAARN Cc1ccc(C)c(OCC(=O)NCc2ccccc2Cl)c1 ZINC000000858663 180836223 /nfs/dbraw/zinc/83/62/23/180836223.db2.gz HYOIORYOWPFNAV-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1 ZINC000000620734 180831293 /nfs/dbraw/zinc/83/12/93/180831293.db2.gz BZCYJRKEAJOTGU-UHFFFAOYSA-N 0 0 309.409 3.990 50 0 DHAARN CN(C(=S)NC(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000001003891 180840844 /nfs/dbraw/zinc/84/08/44/180840844.db2.gz GLZUBTVQVDFHLM-UHFFFAOYSA-N 0 0 310.850 3.619 50 0 DHAARN CN1c2ccc(Cl)cc2C(c2ccccc2Cl)=NCC1=O ZINC000001022020 180841605 /nfs/dbraw/zinc/84/16/05/180841605.db2.gz VPAYQWRBBOGGPY-UHFFFAOYSA-N 0 0 319.191 3.807 50 0 in-vitro DHAARN CCCN(CCC)S(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000001173465 180848810 /nfs/dbraw/zinc/84/88/10/180848810.db2.gz WWHFZNOTNCPQBT-UHFFFAOYSA-N 0 0 321.442 3.659 50 0 DHAARN O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1Cl ZINC000001273823 180852624 /nfs/dbraw/zinc/85/26/24/180852624.db2.gz YISBZJSEJCIBRF-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN O=C(NCc1ccccc1)c1cc(C(=O)C2CCCCC2)c[nH]1 ZINC000001396137 180860708 /nfs/dbraw/zinc/86/07/08/180860708.db2.gz JBLRYSAGNHECGY-UHFFFAOYSA-N 0 0 310.397 3.708 50 0 DHAARN Clc1ccc2c(c1)ncnc2NCc1ccc2c(c1)OCO2 ZINC000001405687 180862768 /nfs/dbraw/zinc/86/27/68/180862768.db2.gz QKTINADOZXCJNN-UHFFFAOYSA-N 0 0 313.744 3.624 50 0 DHAARN Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000001393165 180859629 /nfs/dbraw/zinc/85/96/29/180859629.db2.gz MXAUMURNNHOUSA-UHFFFAOYSA-N 0 0 316.817 3.605 50 0 DHAARN Cc1cc(=O)oc2cc(NC(=S)N3CCC[C@H](C)C3)ccc12 ZINC000001459382 180867903 /nfs/dbraw/zinc/86/79/03/180867903.db2.gz MSBWYWCPQLRZOO-NSHDSACASA-N 0 0 316.426 3.530 50 0 DHAARN Cc1ccc2c(=O)cc(-c3ccc4c(c3)OCCCO4)oc2c1 ZINC000001516511 180871644 /nfs/dbraw/zinc/87/16/44/180871644.db2.gz UQLIIYVZOOGTTF-UHFFFAOYSA-N 0 0 308.333 3.930 50 0 biogenic DHAARN COCCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000001795632 180896797 /nfs/dbraw/zinc/89/67/97/180896797.db2.gz CJKWFKWZBOFGRR-UHFFFAOYSA-N 0 0 300.427 3.805 50 0 DHAARN CCCOC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000001807961 180897123 /nfs/dbraw/zinc/89/71/23/180897123.db2.gz CMIKMZXUJWFRJW-UHFFFAOYSA-N 0 0 313.353 3.514 50 0 DHAARN O=C(NCCOc1ccc(F)cc1)c1cccc2ccccc21 ZINC000002326486 180920033 /nfs/dbraw/zinc/92/00/33/180920033.db2.gz YAWZTCHTJARXEU-UHFFFAOYSA-N 0 0 309.340 3.788 50 0 DHAARN COCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 ZINC000002431293 180923949 /nfs/dbraw/zinc/92/39/49/180923949.db2.gz NTHKBEGLLXRDQY-UHFFFAOYSA-N 0 0 318.380 3.601 50 0 DHAARN O=C(Nc1ccc(Br)cc1)c1cc(C2CC2)on1 ZINC000002465703 180925593 /nfs/dbraw/zinc/92/55/93/180925593.db2.gz MJUOLKSJNVKVDP-UHFFFAOYSA-N 0 0 307.147 3.567 50 0 DHAARN CCCSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000002346518 180920408 /nfs/dbraw/zinc/92/04/08/180920408.db2.gz ZWIQGUDPVXMTLN-UHFFFAOYSA-N 0 0 309.460 3.627 50 0 DHAARN Cc1ccccc1N1C(=O)S[C@H](Nc2ccc(F)cc2)C1=O ZINC000002407756 180923143 /nfs/dbraw/zinc/92/31/43/180923143.db2.gz YVWFLVJXCIAEDQ-AWEZNQCLSA-N 0 0 316.357 3.772 50 0 DHAARN CCc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1 ZINC000002692816 180946668 /nfs/dbraw/zinc/94/66/68/180946668.db2.gz ZTNYHJFWFWJQDU-UHFFFAOYSA-N 0 0 324.359 3.530 50 0 DHAARN CC(=O)c1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1 ZINC000002654886 180945069 /nfs/dbraw/zinc/94/50/69/180945069.db2.gz LROMAGJUGRDNIG-UHFFFAOYSA-N 0 0 311.381 3.914 50 0 DHAARN Cc1ccc(C=CC(=O)OCC(=O)c2cc(C)c(C)cc2C)o1 ZINC000002631478 180941583 /nfs/dbraw/zinc/94/15/83/180941583.db2.gz RHQMVVVICCASRV-BQYQJAHWSA-N 0 0 312.365 3.953 50 0 DHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC(C)(C)C ZINC000002721988 180949136 /nfs/dbraw/zinc/94/91/36/180949136.db2.gz LDUFOWFRGBGJGT-UHFFFAOYSA-N 0 0 302.374 3.719 50 0 DHAARN CC(C)C(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000002733984 180950452 /nfs/dbraw/zinc/95/04/52/180950452.db2.gz UBJHLDWLWPIFMO-AWEZNQCLSA-N 0 0 310.397 3.772 50 0 DHAARN Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000002763486 180953581 /nfs/dbraw/zinc/95/35/81/180953581.db2.gz LCNZTMYIHJNFPI-HNAYVOBHSA-N 0 0 309.409 3.956 50 0 DHAARN CCC[C@H]1CCc2c(sc(NC(=O)CC(C)C)c2C(N)=O)C1 ZINC000002819208 180960852 /nfs/dbraw/zinc/96/08/52/180960852.db2.gz KIMJNUOSZOVDPZ-NSHDSACASA-N 0 0 322.474 3.737 50 0 DHAARN Cc1ccccc1OCCNC(=O)c1cccc2ccccc21 ZINC000002873276 180966133 /nfs/dbraw/zinc/96/61/33/180966133.db2.gz QGTLPOFKYFYGLT-UHFFFAOYSA-N 0 0 305.377 3.957 50 0 DHAARN CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Sc1ccccn1 ZINC000003048241 180978880 /nfs/dbraw/zinc/97/88/80/180978880.db2.gz HYEHRBPZEDEHPY-GDBMZVCRSA-N 0 0 314.410 3.586 50 0 DHAARN O=C(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003195067 180990040 /nfs/dbraw/zinc/99/00/40/180990040.db2.gz LCWIHOIDFVFBRM-UHFFFAOYSA-N 0 0 315.372 3.848 50 0 DHAARN CCCOC(=O)N[C@@H](CC)COC(=O)Nc1cccc(C)c1C ZINC000003150023 180986232 /nfs/dbraw/zinc/98/62/32/180986232.db2.gz LUHNMBBHYUUTJF-AWEZNQCLSA-N 0 0 322.405 3.767 50 0 aggregator DHAARN Cc1ccc(C(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000003221189 180993259 /nfs/dbraw/zinc/99/32/59/180993259.db2.gz DPLVXRKBHXDZKJ-UHFFFAOYSA-N 0 0 324.163 3.737 50 0 DHAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cccc(Cl)c1 ZINC000003281007 181000193 /nfs/dbraw/zinc/00/01/93/181000193.db2.gz XHYYJMBSKIFTFM-FNORWQNLSA-N 0 0 316.740 3.825 50 0 DHAARN CCCCS(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000003331927 181006790 /nfs/dbraw/zinc/00/67/90/181006790.db2.gz XIIJOKHGTOADRW-UHFFFAOYSA-N 0 0 303.427 3.819 50 0 DHAARN COc1cccc(C(=O)CSc2ncnc3ccccc32)c1 ZINC000003333326 181006832 /nfs/dbraw/zinc/00/68/32/181006832.db2.gz FQTAPVALGAXISY-UHFFFAOYSA-N 0 0 310.378 3.613 50 0 DHAARN Cc1cccc(OCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000003352747 181010403 /nfs/dbraw/zinc/01/04/03/181010403.db2.gz DCMPSLZXOPROSC-AWEZNQCLSA-N 0 0 301.361 3.780 50 0 DHAARN COc1ccccc1C(=O)OCC(=O)c1cc(C)c(C)cc1C ZINC000003359534 181011157 /nfs/dbraw/zinc/01/11/57/181011157.db2.gz FAKFRFUZPRKNAA-UHFFFAOYSA-N 0 0 312.365 3.660 50 0 DHAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003401111 181015148 /nfs/dbraw/zinc/01/51/48/181015148.db2.gz MXYPGMVUDRAKFG-AWEZNQCLSA-N 0 0 306.409 3.565 50 0 DHAARN O=C(Nc1cccc(Br)c1)c1ccc(F)cc1F ZINC000003430664 181018882 /nfs/dbraw/zinc/01/88/82/181018882.db2.gz ODNJEZMMSBKYLU-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN COc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC(F)F ZINC000003447333 181021768 /nfs/dbraw/zinc/02/17/68/181021768.db2.gz JVEJWJGHDYLIJC-NSHDSACASA-N 0 0 321.323 3.788 50 0 DHAARN O=C(NCc1ccccc1Cl)c1ccccc1OC(F)F ZINC000003455721 181022080 /nfs/dbraw/zinc/02/20/80/181022080.db2.gz SOXWTGMAFDJFMR-UHFFFAOYSA-N 0 0 311.715 3.871 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000003479955 181025273 /nfs/dbraw/zinc/02/52/73/181025273.db2.gz KADCOKJXBGMPCS-UHFFFAOYSA-N 0 0 311.715 3.871 50 0 DHAARN CCOc1cc(C(=O)NCc2ccccc2)ccc1OC(F)F ZINC000003480464 181025274 /nfs/dbraw/zinc/02/52/74/181025274.db2.gz IYLGZIGOYKMZGM-UHFFFAOYSA-N 0 0 321.323 3.617 50 0 DHAARN COc1ccc2c(CC(=O)Nc3ccccc3OC)coc2c1 ZINC000003481773 181025313 /nfs/dbraw/zinc/02/53/13/181025313.db2.gz BCWGMHVXPZXOTN-UHFFFAOYSA-N 0 0 311.337 3.631 50 0 DHAARN COc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000003510659 181028231 /nfs/dbraw/zinc/02/82/31/181028231.db2.gz XSHKYGCMQSGUIT-UHFFFAOYSA-N 0 0 305.761 3.675 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)c(Cl)c2)c1C ZINC000003551228 181033327 /nfs/dbraw/zinc/03/33/27/181033327.db2.gz RQEFASGCNIBKOF-UHFFFAOYSA-N 0 0 323.751 3.888 50 0 DHAARN COc1cccc(CC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000003552030 181033440 /nfs/dbraw/zinc/03/34/40/181033440.db2.gz LINMTKSUXJGOKL-UHFFFAOYSA-N 0 0 319.788 3.847 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 ZINC000003551666 181033615 /nfs/dbraw/zinc/03/36/15/181033615.db2.gz JRTRSCOXVLKQCT-LLVKDONJSA-N 0 0 307.752 3.563 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2Cl)c1 ZINC000003555945 181034009 /nfs/dbraw/zinc/03/40/09/181034009.db2.gz NVXJXFUVZXCMFS-UHFFFAOYSA-N 0 0 317.772 3.616 50 0 DHAARN Cc1csc(NC(=O)/C=C/c2cccc(Br)c2)n1 ZINC000003562113 181035249 /nfs/dbraw/zinc/03/52/49/181035249.db2.gz YTYMOHSSONANFH-AATRIKPKSA-N 0 0 323.215 3.866 50 0 DHAARN COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1OC ZINC000003565522 181035970 /nfs/dbraw/zinc/03/59/70/181035970.db2.gz MNLWHOZFXXFZDB-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCCCC1 ZINC000003571844 181036340 /nfs/dbraw/zinc/03/63/40/181036340.db2.gz CAPXMAURRVTFBM-JTQLQIEISA-N 0 0 301.217 3.806 50 0 DHAARN Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c(O)c1 ZINC000003569982 181036609 /nfs/dbraw/zinc/03/66/09/181036609.db2.gz IUCFEIJHVUSJEM-UHFFFAOYSA-N 0 0 320.186 3.644 50 0 DHAARN Cc1ccc(C)c(C(=O)OCC(=O)c2c[nH]c3ccccc32)c1 ZINC000003571397 181036783 /nfs/dbraw/zinc/03/67/83/181036783.db2.gz BFPXEKQBNJUGPJ-UHFFFAOYSA-N 0 0 307.349 3.824 50 0 DHAARN CC(C)(C)c1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1 ZINC000003627540 181042695 /nfs/dbraw/zinc/04/26/95/181042695.db2.gz YNVMUJJGUKIVCV-GHRIWEEISA-N 0 0 304.393 3.902 50 0 DHAARN Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000003635903 181042912 /nfs/dbraw/zinc/04/29/12/181042912.db2.gz YHBAVZFXXPGNOE-OAHLLOKOSA-N 0 0 312.394 3.941 50 0 DHAARN CNC(=S)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000003765657 181045393 /nfs/dbraw/zinc/04/53/93/181045393.db2.gz PALXKTBPCHKKQT-BBRMVZONSA-N 0 0 315.486 3.700 50 0 DHAARN COc1ccccc1/C=C/C(=O)Nc1ccc(OC(F)F)cc1 ZINC000003609201 181039985 /nfs/dbraw/zinc/03/99/85/181039985.db2.gz JLVRIMGXRBPWOH-IZZDOVSWSA-N 0 0 319.307 3.949 50 0 DHAARN O=C(NC12CC3CC(CC(C3)C1)C2)OCCNc1ccccc1 ZINC000003880626 181051477 /nfs/dbraw/zinc/05/14/77/181051477.db2.gz PEALDHFPXHQDSS-UHFFFAOYSA-N 0 0 314.429 3.794 50 0 DHAARN Oc1cccc(-c2nc3cnccn3c2Nc2ccccc2)c1 ZINC000003896539 181053770 /nfs/dbraw/zinc/05/37/70/181053770.db2.gz BDUVMLAZEJLAGB-UHFFFAOYSA-N 0 0 302.337 3.846 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)c1cc(CC(C)C)on1 ZINC000003909129 181056350 /nfs/dbraw/zinc/05/63/50/181056350.db2.gz JSTCZMYQSXIDAO-UHFFFAOYSA-N 0 0 308.765 3.787 50 0 DHAARN C[C@@H](NC(=O)c1cc(-c2ccc(O)cc2)on1)c1ccccc1 ZINC000003907750 181056729 /nfs/dbraw/zinc/05/67/29/181056729.db2.gz OOVKEPDYIIDFFU-GFCCVEGCSA-N 0 0 308.337 3.538 50 0 DHAARN Cc1ccc(O)c(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC000003908472 181056742 /nfs/dbraw/zinc/05/67/42/181056742.db2.gz NOXSPNKHONCJNO-UHFFFAOYSA-N 0 0 300.339 3.669 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1noc2c1CCc1ccccc1-2 ZINC000003909396 181057178 /nfs/dbraw/zinc/05/71/78/181057178.db2.gz FORMFBOGWAZMHJ-UHFFFAOYSA-N 0 0 322.339 3.509 50 0 DHAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC21OCCO1 ZINC000004025580 181063892 /nfs/dbraw/zinc/06/38/92/181063892.db2.gz TWYONAIDRKGWBX-YRXWBPOGSA-N 0 0 314.425 3.991 50 0 biogenic DHAARN OCc1c(-c2ccc(F)cc2)nc2sc3c(n12)CCCC3 ZINC000004025534 181064018 /nfs/dbraw/zinc/06/40/18/181064018.db2.gz MQCZPVPHMXAHSG-UHFFFAOYSA-N 0 0 302.374 3.573 50 0 DHAARN CC(C)=CC/C=C1/CC[C@H]2C(=O)N(c3ccccc3)NC(=O)[C@@H]2C1 ZINC000004028882 181064467 /nfs/dbraw/zinc/06/44/67/181064467.db2.gz LAQLAJSRFNHUCR-JADFEHNVSA-N 0 0 324.424 3.763 50 0 biogenic DHAARN Cc1c(Cl)cccc1-n1ncnc1-c1ccc2c(c1)OCO2 ZINC000004030559 181064491 /nfs/dbraw/zinc/06/44/91/181064491.db2.gz GEXNVSQCPIXDRA-UHFFFAOYSA-N 0 0 313.744 3.625 50 0 DHAARN CC(C)NC(=O)CSc1c2ccccc2nc2c1CCCC2 ZINC000004038928 181065657 /nfs/dbraw/zinc/06/56/57/181065657.db2.gz XIYGDCMVWJXYKK-UHFFFAOYSA-N 0 0 314.454 3.730 50 0 DHAARN Clc1ccc(/C=C/c2ccnc3nc(-n4cccc4)nn32)cc1 ZINC000004041515 181065848 /nfs/dbraw/zinc/06/58/48/181065848.db2.gz NWSOTRSJPVBFDB-VMPITWQZSA-N 0 0 321.771 3.739 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000003909294 181057528 /nfs/dbraw/zinc/05/75/28/181057528.db2.gz MTSLLHXTZOTBBJ-UHFFFAOYSA-N 0 0 318.170 3.904 50 0 DHAARN c1ccc(C2=NN(c3ccccc3)N(c3ccccc3)N2)cc1 ZINC000004011735 181062300 /nfs/dbraw/zinc/06/23/00/181062300.db2.gz QOIRFXTZHVPXLR-UHFFFAOYSA-N 0 0 300.365 3.795 50 0 DHAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(C)cc1)CC3 ZINC000004084461 181071047 /nfs/dbraw/zinc/07/10/47/181071047.db2.gz LFJMPHFRPCMTIU-UHFFFAOYSA-N 0 0 320.392 3.683 50 0 biogenic DHAARN Cc1cccc(NC(=O)c2ccc(Br)cc2F)n1 ZINC000004058743 181067921 /nfs/dbraw/zinc/06/79/21/181067921.db2.gz ONALSKOOPJHQSL-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN O=C(/C=C/c1cccs1)Nc1nc(-c2cccnc2)cs1 ZINC000004063169 181068568 /nfs/dbraw/zinc/06/85/68/181068568.db2.gz MPSGXWAEEHSCRG-AATRIKPKSA-N 0 0 313.407 3.919 50 0 DHAARN CCN(CC)C(=O)c1sc2nc3c(cc2c1N)CCCCC3 ZINC000004123198 181076717 /nfs/dbraw/zinc/07/67/17/181076717.db2.gz NPVNXQVPHMFFMZ-UHFFFAOYSA-N 0 0 317.458 3.629 50 0 DHAARN Cc1cc2cc(CNC(=O)c3ccc(F)c(F)c3)ccc2[nH]1 ZINC000004138052 181077874 /nfs/dbraw/zinc/07/78/74/181077874.db2.gz UUOHLUTZNVZCSU-UHFFFAOYSA-N 0 0 300.308 3.685 50 0 DHAARN CCCSc1nnc(-c2c[nH]c3ccccc32)n1CCOC ZINC000004138635 181078077 /nfs/dbraw/zinc/07/80/77/181078077.db2.gz AGZPUKOABLRCSJ-UHFFFAOYSA-N 0 0 316.430 3.575 50 0 DHAARN Cc1ccc(C)c(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1 ZINC000004140712 181078761 /nfs/dbraw/zinc/07/87/61/181078761.db2.gz VBMQCODVMZVITC-OAHLLOKOSA-N 0 0 312.394 3.941 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(Cl)c1 ZINC000004163645 181080027 /nfs/dbraw/zinc/08/00/27/181080027.db2.gz NDSSFKQKOBCGEO-UHFFFAOYSA-N 0 0 312.756 3.951 50 0 DHAARN CCOc1ccccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc21 ZINC000004163659 181080229 /nfs/dbraw/zinc/08/02/29/181080229.db2.gz GOXBIVBHSFQZLI-UHFFFAOYSA-N 0 0 322.364 3.696 50 0 DHAARN C[C@H]1C[C@H](NC(=O)C(=O)c2c[nH]c3ccccc23)CC(C)(C)C1 ZINC000004163120 181080396 /nfs/dbraw/zinc/08/03/96/181080396.db2.gz WZWPIRFFPJNBMH-STQMWFEESA-N 0 0 312.413 3.682 50 0 DHAARN COc1ccc(C=O)cc1COc1ccc(Br)cc1 ZINC000004237599 181086981 /nfs/dbraw/zinc/08/69/81/181086981.db2.gz SQVKQDINPBJMDM-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN CC[C@@H](C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 ZINC000004295349 181093721 /nfs/dbraw/zinc/09/37/21/181093721.db2.gz VQJDIRREVPLGPB-GFCCVEGCSA-N 0 0 313.382 3.930 50 0 aggregator DHAARN Cc1nc(Cc2nc3ccccc3n2Cc2ccccc2F)no1 ZINC000004304951 181094927 /nfs/dbraw/zinc/09/49/27/181094927.db2.gz ITEMHOZGNGFEAY-UHFFFAOYSA-N 0 0 322.343 3.506 50 0 DHAARN CC(C)[C@@H](O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1 ZINC000004258302 181088783 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CC(C)=CCC[C@]1(C)CCC(=O)N(CCCn2ccnc2)C1 ZINC000092021105 193143684 /nfs/dbraw/zinc/14/36/84/193143684.db2.gz MLYRADOSXUCNER-GOSISDBHSA-N 0 0 303.450 3.648 50 0 DHAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CC[C@@H]1c1cccs1 ZINC000215884226 201473673 /nfs/dbraw/zinc/47/36/73/201473673.db2.gz WAJBXUQLVQOBMU-OAHLLOKOSA-N 0 0 323.421 3.736 50 0 DHAARN CN(Cc1ccoc1)C(=O)c1cc2c(cccc2Cl)n1C ZINC000216128344 201482526 /nfs/dbraw/zinc/48/25/26/201482526.db2.gz SJWNUEHOLCDOLI-UHFFFAOYSA-N 0 0 302.761 3.697 50 0 DHAARN CSCc1ccc(C(=O)NCCc2csc(C(C)C)n2)o1 ZINC000219848657 201564945 /nfs/dbraw/zinc/56/49/45/201564945.db2.gz CFJMZZIVYFVIAZ-UHFFFAOYSA-N 0 0 324.471 3.695 50 0 DHAARN O=C(Nc1ccc2c(c1)COC2)N1CCC[C@@H]1Cc1ccccc1 ZINC000092164593 193169841 /nfs/dbraw/zinc/16/98/41/193169841.db2.gz PRWQIZOEJPOQDP-LJQANCHMSA-N 0 0 322.408 3.956 50 0 DHAARN Cc1cnccc1CN(C)C(=O)Cc1ccccc1C(F)(F)F ZINC000220420809 201575422 /nfs/dbraw/zinc/57/54/22/201575422.db2.gz UXEDBVZPKUAEOH-UHFFFAOYSA-N 0 0 322.330 3.610 50 0 DHAARN CN(Cc1cccc2cnccc21)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000221324438 201586085 /nfs/dbraw/zinc/58/60/85/201586085.db2.gz XLZXRIQUHPJDRA-VQTJNVASSA-N 0 0 316.404 3.997 50 0 DHAARN CC(C)(COCc1ccccc1)NC(=O)c1ccoc1Cl ZINC000252484100 202842016 /nfs/dbraw/zinc/84/20/16/202842016.db2.gz FOUIMLGGGQKLDT-UHFFFAOYSA-N 0 0 307.777 3.658 50 0 DHAARN Cc1cnc(NC(=O)c2cc(Cl)cc3c2O[C@H](C)C3)s1 ZINC000252490484 202845587 /nfs/dbraw/zinc/84/55/87/202845587.db2.gz KUWCNLANGUOQII-SSDOTTSWSA-N 0 0 308.790 3.681 50 0 DHAARN COC(=O)c1nc(NC(=O)C2(C)CCCC2)sc1C(C)C ZINC000253427096 202884192 /nfs/dbraw/zinc/88/41/92/202884192.db2.gz DDQNUESOLYDKSD-UHFFFAOYSA-N 0 0 310.419 3.572 50 0 DHAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC5(CC[C@@H]43)OCCO5)[C@H]1CC[C@@H]2O ZINC000257356839 203068524 /nfs/dbraw/zinc/06/85/24/203068524.db2.gz KPFOWHHDRKFWNP-SLMGBJJTSA-N 0 0 320.473 3.743 50 0 DHAARN CC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1 ZINC000007548812 181474797 /nfs/dbraw/zinc/47/47/97/181474797.db2.gz BQJGAGGLGXXGRZ-SFHVURJKSA-N 0 0 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CC(C)COc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 ZINC000019736618 182140827 /nfs/dbraw/zinc/14/08/27/182140827.db2.gz ZZUNQSWIWMWOEQ-UHFFFAOYSA-N 0 0 302.349 3.695 50 0 DHAARN CC(C)(C)c1ccccc1OCC(=O)Nc1cc(N)ccc1F ZINC000019736649 182140992 /nfs/dbraw/zinc/14/09/92/182140992.db2.gz QHTMCWWOOSPYGJ-UHFFFAOYSA-N 0 0 316.376 3.723 50 0 DHAARN Fc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000019841251 182155824 /nfs/dbraw/zinc/15/58/24/182155824.db2.gz ULMGOTYWIFEBGV-UHFFFAOYSA-N 0 0 318.823 3.797 50 0 DHAARN Cc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cn1 ZINC000019840284 182155837 /nfs/dbraw/zinc/15/58/37/182155837.db2.gz IBVLYTSLYUZJDX-UHFFFAOYSA-N 0 0 309.394 3.690 50 0 DHAARN CCCCn1c2ccccc2n(CCOc2ccccc2)c1=N ZINC000019798396 182151200 /nfs/dbraw/zinc/15/12/00/182151200.db2.gz NRNFOBYMDCYWIL-UHFFFAOYSA-N 0 0 309.413 3.801 50 0 DHAARN CCc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccccc1 ZINC000019812568 182152962 /nfs/dbraw/zinc/15/29/62/182152962.db2.gz WKTHETXWLKDCIG-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN O=C(Nc1cccc(Br)c1)c1ccnc(Cl)c1 ZINC000019813482 182153436 /nfs/dbraw/zinc/15/34/36/182153436.db2.gz BLXXLCWYPOMTHV-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN Brc1ccnc(-c2cc(Br)ccn2)c1 ZINC000019908721 182163182 /nfs/dbraw/zinc/16/31/82/182163182.db2.gz KIIHBDSNVJRWFY-UHFFFAOYSA-N 0 0 313.980 3.669 50 0 DHAARN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)cnn1-c1ccccn1 ZINC000019910984 182163639 /nfs/dbraw/zinc/16/36/39/182163639.db2.gz WBQBSCYKDTUIDJ-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN COc1cccc([C@@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)c1 ZINC000019927600 182165089 /nfs/dbraw/zinc/16/50/89/182165089.db2.gz GJRBDOZSIXNVEQ-HZMBPMFUSA-N 0 0 320.439 3.627 50 0 DHAARN Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(F)cc2)s1 ZINC000019927622 182165487 /nfs/dbraw/zinc/16/54/87/182165487.db2.gz KIHDROLSTULVNE-TVQRCGJNSA-N 0 0 308.403 3.758 50 0 DHAARN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccnc1 ZINC000020105578 182186784 /nfs/dbraw/zinc/18/67/84/182186784.db2.gz FGHPRMQNMOCWKY-OAHLLOKOSA-N 0 0 320.845 3.922 50 0 DHAARN CC(C)(C)NC(=O)c1cccc(NC(=O)NC2CCCCC2)c1 ZINC000020116557 182188506 /nfs/dbraw/zinc/18/85/06/182188506.db2.gz AKRDPLILCZDYRJ-UHFFFAOYSA-N 0 0 317.433 3.669 50 0 DHAARN CC(C)CCN1C(=O)c2ccccc2[C@@H]1NCc1ccccc1 ZINC000020130088 182189849 /nfs/dbraw/zinc/18/98/49/182189849.db2.gz QQRWELYHLOUREG-LJQANCHMSA-N 0 0 308.425 3.977 50 0 DHAARN Clc1ccc2[nH]c([C@@H]3CCCN3C[C@@H]3CCCO3)nc2c1 ZINC000020205885 182197868 /nfs/dbraw/zinc/19/78/68/182197868.db2.gz QRDGSLHOFPEJTO-WFASDCNBSA-N 0 0 305.809 3.532 50 0 DHAARN Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C)c1 ZINC000020276478 182202592 /nfs/dbraw/zinc/20/25/92/182202592.db2.gz NGTZBWMBZWIJHY-SFHVURJKSA-N 0 0 322.408 3.547 50 0 DHAARN COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000020403318 182214872 /nfs/dbraw/zinc/21/48/72/182214872.db2.gz WJWUSIXQJVLGBD-NSHDSACASA-N 0 0 319.430 3.516 50 0 DHAARN COc1ccc(C)cc1N[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000020403320 182214980 /nfs/dbraw/zinc/21/49/80/182214980.db2.gz WJWUSIXQJVLGBD-LLVKDONJSA-N 0 0 319.430 3.516 50 0 DHAARN Cc1nc(NC(=O)[C@H](C)Nc2cccc(C)c2C)sc1C ZINC000020402725 182215396 /nfs/dbraw/zinc/21/53/96/182215396.db2.gz UFGHBEBZFFVQJF-LBPRGKRZSA-N 0 0 303.431 3.816 50 0 DHAARN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1 ZINC000020375094 182213026 /nfs/dbraw/zinc/21/30/26/182213026.db2.gz FENQFIBVMMDGBU-UHFFFAOYSA-N 0 0 301.777 3.588 50 0 DHAARN COc1ccccc1C(=O)Nc1ccc(F)cc1Br ZINC000020430091 182216342 /nfs/dbraw/zinc/21/63/42/182216342.db2.gz CVEPLYNHBLSXCV-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN COCCCn1ccc(-c2cccc(-c3ccncc3C)c2)n1 ZINC000020448902 182218878 /nfs/dbraw/zinc/21/88/78/182218878.db2.gz YEDAATDBIXWDQA-UHFFFAOYSA-N 0 0 307.397 3.957 50 0 DHAARN Cc1ccccc1CC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000020502920 182225094 /nfs/dbraw/zinc/22/50/94/182225094.db2.gz LRBVIUYQELHABM-NSHDSACASA-N 0 0 300.427 3.758 50 0 DHAARN CC(C)c1ccc(-c2c(=O)c(=O)c2NCc2ccc(F)cc2)cc1 ZINC000020510263 182225897 /nfs/dbraw/zinc/22/58/97/182225897.db2.gz RKGBEUYQNGMEML-UHFFFAOYSA-N 0 0 323.367 3.824 50 0 DHAARN Cc1ccc(-c2c(N[C@H](C)c3ccccc3)c(=O)c2=O)cc1C ZINC000020509513 182226052 /nfs/dbraw/zinc/22/60/52/182226052.db2.gz VXMZSLURFBOZIT-CQSZACIVSA-N 0 0 305.377 3.740 50 0 DHAARN Cc1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1C ZINC000020644802 182240706 /nfs/dbraw/zinc/24/07/06/182240706.db2.gz SUZHDADQSFRFTQ-UHFFFAOYSA-N 0 0 322.393 3.665 50 0 DHAARN O=C(NC1CCCCCC1)c1nc(-c2c[nH]c3ccccc32)no1 ZINC000020724012 182243716 /nfs/dbraw/zinc/24/37/16/182243716.db2.gz DWADBAIOYQMDBL-UHFFFAOYSA-N 0 0 324.384 3.671 50 0 DHAARN O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC1CC1 ZINC000020733136 182244865 /nfs/dbraw/zinc/24/48/65/182244865.db2.gz DSWWZWTVTZIGNI-UHFFFAOYSA-N 0 0 304.393 3.977 50 0 DHAARN CCn1ncc2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)F ZINC000020603660 182237124 /nfs/dbraw/zinc/23/71/24/182237124.db2.gz WITLHBKXGJUJKB-UHFFFAOYSA-N 0 0 317.295 3.785 50 0 DHAARN CCCCC[C@H](C)NC(=O)Cc1cnc(-n2cccc2)s1 ZINC000020734436 182244852 /nfs/dbraw/zinc/24/48/52/182244852.db2.gz VAYUOXCECZFWMB-ZDUSSCGKSA-N 0 0 305.447 3.561 50 0 DHAARN O=C(CCc1ccc(F)cc1)Nc1ccc(Br)cn1 ZINC000020607760 182237797 /nfs/dbraw/zinc/23/77/97/182237797.db2.gz MLCRYRVWFAFHFJ-UHFFFAOYSA-N 0 0 323.165 3.555 50 0 DHAARN Cc1ccc(NC(=O)c2nc3ccccc3nc2Cl)cc1F ZINC000020854135 182249300 /nfs/dbraw/zinc/24/93/00/182249300.db2.gz HWERNTZUQWQEDM-UHFFFAOYSA-N 0 0 315.735 3.983 50 0 DHAARN CC(C)c1ccc([C@H]2NC(=O)c3[nH]nc(-c4ccco4)c32)cc1 ZINC000020855235 182249405 /nfs/dbraw/zinc/24/94/05/182249405.db2.gz QJEWBSKTQKPIAF-OAHLLOKOSA-N 0 0 307.353 3.626 50 0 DHAARN CCCn1c(=O)sc2cc(NC(=O)c3cccs3)ccc21 ZINC000020853754 182249441 /nfs/dbraw/zinc/24/94/41/182249441.db2.gz VCGXJIKIBRGERI-UHFFFAOYSA-N 0 0 318.423 3.787 50 0 DHAARN O=C(NCCCc1ccccc1)c1ncoc1-c1cccs1 ZINC000021044571 182263218 /nfs/dbraw/zinc/26/32/18/182263218.db2.gz ODVGHYOPAHEFQD-UHFFFAOYSA-N 0 0 312.394 3.766 50 0 DHAARN CCOc1ccc(CC(=O)Nc2ccc3scnc3c2)cc1 ZINC000021000957 182259010 /nfs/dbraw/zinc/25/90/10/182259010.db2.gz SMKHIFKNAVYMSB-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN Cc1ccc(NC(=O)N[C@H]2COc3ccccc3C2)cc1Cl ZINC000021101561 182265149 /nfs/dbraw/zinc/26/51/49/182265149.db2.gz NSGYABTVTDTODU-CQSZACIVSA-N 0 0 316.788 3.774 50 0 DHAARN CCc1c2ccccc2[nH]c1C(=O)N(C)Cc1cnn(C(C)C)c1 ZINC000097766800 193755204 /nfs/dbraw/zinc/75/52/04/193755204.db2.gz OGUARASARPKNHE-UHFFFAOYSA-N 0 0 324.428 3.780 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2cccc(F)c2)n1-c1ccccc1 ZINC000021108298 182265638 /nfs/dbraw/zinc/26/56/38/182265638.db2.gz YLBPIEQZIJDPPB-SFHVURJKSA-N 0 0 319.339 3.992 50 0 DHAARN COc1cc(C(=O)Nc2cccc3cnccc32)cc(OC)c1C ZINC000021217280 182269588 /nfs/dbraw/zinc/26/95/88/182269588.db2.gz GSDDCMRVJRHVID-UHFFFAOYSA-N 0 0 322.364 3.813 50 0 DHAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC=C[C@H]1C(C)C ZINC000097772872 193756305 /nfs/dbraw/zinc/75/63/05/193756305.db2.gz GEFWPUAMZBPDKL-KRWDZBQOSA-N 0 0 300.377 3.581 50 0 DHAARN CCc1cccc2c(-c3csc(N4CCOCC4)n3)c[nH]c21 ZINC000021275240 182270470 /nfs/dbraw/zinc/27/04/70/182270470.db2.gz AEMXOHFZQURZEX-UHFFFAOYSA-N 0 0 313.426 3.690 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Cc2ccccc2Cl)no1 ZINC000021718881 182285216 /nfs/dbraw/zinc/28/52/16/182285216.db2.gz LJXHONKYYPKJBL-HNNXBMFYSA-N 0 0 304.777 3.543 50 0 DHAARN CCCc1cc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)no1 ZINC000021719229 182285255 /nfs/dbraw/zinc/28/52/55/182285255.db2.gz VADWGKPPLVJIAD-HNNXBMFYSA-N 0 0 320.339 3.883 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)no1 ZINC000021718766 182285443 /nfs/dbraw/zinc/28/54/43/182285443.db2.gz YLLDYPGNLFRBHJ-OAHLLOKOSA-N 0 0 322.767 3.682 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)no1 ZINC000021718902 182285501 /nfs/dbraw/zinc/28/55/01/182285501.db2.gz TXXPDDUXDBGXQS-ZDUSSCGKSA-N 0 0 308.740 3.753 50 0 DHAARN Cc1ccc(C)c(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000021559661 182280614 /nfs/dbraw/zinc/28/06/14/182280614.db2.gz HAVRDEZSFHBDDS-QGZVFWFLSA-N 0 0 324.424 3.710 50 0 DHAARN COc1cccc(NC(=O)c2ncoc2-c2cccs2)c1 ZINC000021641678 182282025 /nfs/dbraw/zinc/28/20/25/182282025.db2.gz KEUQBRALAYOAPI-UHFFFAOYSA-N 0 0 300.339 3.664 50 0 DHAARN O=C(NCCc1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1 ZINC000021695718 182284193 /nfs/dbraw/zinc/28/41/93/182284193.db2.gz IGWPCIPOCZMVIO-UHFFFAOYSA-N 0 0 317.791 3.870 50 0 DHAARN CCCc1cc([C@H]2CCCN2Cc2ccc(O)c(OC)c2)no1 ZINC000021720698 182286641 /nfs/dbraw/zinc/28/66/41/182286641.db2.gz QQTVVINJFFUEPF-MRXNPFEDSA-N 0 0 316.401 3.678 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)no1 ZINC000021791509 182289175 /nfs/dbraw/zinc/28/91/75/182289175.db2.gz XLVZABMWZMAHHG-HNNXBMFYSA-N 0 0 302.349 3.914 50 0 DHAARN CCn1nccc1[C@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000021791853 182289785 /nfs/dbraw/zinc/28/97/85/182289785.db2.gz FDWOTSCBYRUQKA-CQSZACIVSA-N 0 0 318.808 3.925 50 0 DHAARN Cc1ccc(-c2nsc(NC(=O)c3ccc(F)cc3)n2)s1 ZINC000021806018 182291296 /nfs/dbraw/zinc/29/12/96/182291296.db2.gz HLXWWFHQXFGUPC-UHFFFAOYSA-N 0 0 319.386 3.966 50 0 DHAARN Cc1ccccc1NC(=O)[C@@H]1CCn2c(nc3ccccc32)C1 ZINC000021884163 182296399 /nfs/dbraw/zinc/29/63/99/182296399.db2.gz MKZQBWFINPIXEJ-CQSZACIVSA-N 0 0 305.381 3.546 50 0 DHAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000022088005 182308460 /nfs/dbraw/zinc/30/84/60/182308460.db2.gz RYAILISSVWNTPD-UHFFFAOYSA-N 0 0 317.392 3.922 50 0 DHAARN COc1ccc(CNc2ccc(-c3ccccc3)nn2)cc1OC ZINC000022077548 182308635 /nfs/dbraw/zinc/30/86/35/182308635.db2.gz XBORRLAKJBPOPS-UHFFFAOYSA-N 0 0 321.380 3.773 50 0 DHAARN Cc1nc2sc3c(c2c(OCC(F)(F)F)n1)CCCC3 ZINC000021932755 182298961 /nfs/dbraw/zinc/29/89/61/182298961.db2.gz SGXPDRWRHAYQKG-UHFFFAOYSA-N 0 0 302.321 3.820 50 0 DHAARN O=C(Nc1nc(CN2CCCCC2)cs1)C1CCCCC1 ZINC000022289158 182316349 /nfs/dbraw/zinc/31/63/49/182316349.db2.gz VMDXTMIIFZSFGD-UHFFFAOYSA-N 0 0 307.463 3.648 50 0 DHAARN O=C(Cc1c(F)cccc1Cl)N1CCc2sccc2C1 ZINC000022285444 182316679 /nfs/dbraw/zinc/31/66/79/182316679.db2.gz HXUJSVYETPYOOD-UHFFFAOYSA-N 0 0 309.793 3.668 50 0 DHAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@H](NC(=O)CC1CC1)C3 ZINC000022331019 182318901 /nfs/dbraw/zinc/31/89/01/182318901.db2.gz YKKBGNHFYVKBBA-ZDUSSCGKSA-N 0 0 316.832 3.903 50 0 DHAARN 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CCCC(=O)Nc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000022462891 182322021 /nfs/dbraw/zinc/32/20/21/182322021.db2.gz MVGHJIXLIGIYAH-UHFFFAOYSA-N 0 0 308.341 3.537 50 0 DHAARN Cc1noc(-c2ccc(C(=O)OCc3ccccc3F)cc2)n1 ZINC000022977686 182343848 /nfs/dbraw/zinc/34/38/48/182343848.db2.gz FJCOGGBNHKEUNT-UHFFFAOYSA-N 0 0 312.300 3.541 50 0 DHAARN CNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000023028343 182344711 /nfs/dbraw/zinc/34/47/11/182344711.db2.gz YAFIQYNZXZINHA-UHFFFAOYSA-N 0 0 314.435 3.948 50 0 DHAARN CCc1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)s1 ZINC000023140941 182350759 /nfs/dbraw/zinc/35/07/59/182350759.db2.gz KUTSUNMVTPNDSC-UHFFFAOYSA-N 0 0 316.430 3.512 50 0 DHAARN C[C@@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(F)cc1 ZINC000023268997 182355296 /nfs/dbraw/zinc/35/52/96/182355296.db2.gz LDUPSLMFZVWIED-CYBMUJFWSA-N 0 0 309.344 3.502 50 0 DHAARN O=C(OCc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 ZINC000023264109 182355626 /nfs/dbraw/zinc/35/56/26/182355626.db2.gz JFHDUFAFVVLPNL-UHFFFAOYSA-N 0 0 318.756 3.858 50 0 DHAARN 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DHAARN Clc1cc(Br)c2ncc(Br)n2c1 ZINC000038537200 183001751 /nfs/dbraw/zinc/00/17/51/183001751.db2.gz RZDRXEVTGWJNQY-UHFFFAOYSA-N 0 0 310.376 3.513 50 0 DHAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc2ncsc2c1 ZINC000038678695 183006423 /nfs/dbraw/zinc/00/64/23/183006423.db2.gz UVMPNCLKYRGCOL-UHFFFAOYSA-N 0 0 320.377 3.939 50 0 DHAARN O=C(NCCC1=CCCCC1)c1csc(-n2cccc2)n1 ZINC000038679068 183006425 /nfs/dbraw/zinc/00/64/25/183006425.db2.gz FOGJPHIYGMEJAY-UHFFFAOYSA-N 0 0 301.415 3.554 50 0 DHAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCOc2ccccc2)o1 ZINC000040012192 183027514 /nfs/dbraw/zinc/02/75/14/183027514.db2.gz BYKAEDFNNPXLPM-PBHICJAKSA-N 0 0 313.397 3.531 50 0 DHAARN CC(=O)c1cccc(N[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000040005409 183027611 /nfs/dbraw/zinc/02/76/11/183027611.db2.gz RPQBOKGMJFXCFG-GJZGRUSLSA-N 0 0 324.424 3.610 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)CCCOc2ccc(F)cc2)o1 ZINC000040050483 183030112 /nfs/dbraw/zinc/03/01/12/183030112.db2.gz FSGZMDLVEGYNTE-ZDUSSCGKSA-N 0 0 305.349 3.764 50 0 DHAARN Cc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000040051474 183030121 /nfs/dbraw/zinc/03/01/21/183030121.db2.gz SVHQRKUXJFWWQP-UHFFFAOYSA-N 0 0 318.779 3.987 50 0 DHAARN CCN(C(=O)c1cnn(-c2ccccc2F)c1C)c1ccccc1 ZINC000040047276 183030173 /nfs/dbraw/zinc/03/01/73/183030173.db2.gz BNKYHKLFCBWVPQ-UHFFFAOYSA-N 0 0 323.371 3.987 50 0 DHAARN CC1=CC[C@@](C[C@@H]2CCCO2)(S(=O)(=O)c2ccccc2)CC1 ZINC000039247186 183015645 /nfs/dbraw/zinc/01/56/45/183015645.db2.gz YYRWTVNJWGKNPB-FUHWJXTLSA-N 0 0 320.454 3.898 50 0 DHAARN Cc1nnc(COC(=O)c2ccccc2Oc2ccccc2)o1 ZINC000039585493 183021200 /nfs/dbraw/zinc/02/12/00/183021200.db2.gz YQHJYEKJFZRMQT-UHFFFAOYSA-N 0 0 310.309 3.527 50 0 DHAARN COc1ccc(NC(=O)Cc2coc3ccc(OC)cc23)cc1 ZINC000039882395 183022477 /nfs/dbraw/zinc/02/24/77/183022477.db2.gz OTUIFVFUJVMLDL-UHFFFAOYSA-N 0 0 311.337 3.631 50 0 DHAARN COC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000040154893 183040623 /nfs/dbraw/zinc/04/06/23/183040623.db2.gz PPNZPNPPRAQQMM-UHFFFAOYSA-N 0 0 312.300 3.693 50 0 DHAARN O=C(NCc1ccsc1-n1cccc1)c1cccc(F)c1 ZINC000040155035 183040690 /nfs/dbraw/zinc/04/06/90/183040690.db2.gz COEJIGOBXKLWJK-UHFFFAOYSA-N 0 0 300.358 3.608 50 0 DHAARN COc1ccc(CCNC(=O)c2cc(C)n(C(C)C)c2C)cc1 ZINC000040160441 183041309 /nfs/dbraw/zinc/04/13/09/183041309.db2.gz XGIKOCBWGVFOSL-UHFFFAOYSA-N 0 0 314.429 3.667 50 0 DHAARN C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)s1 ZINC000040074649 183031279 /nfs/dbraw/zinc/03/12/79/183031279.db2.gz MRLUSWTWBNCISH-JTQLQIEISA-N 0 0 308.834 3.959 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)CCOc2ccccc2Cl)o1 ZINC000040087837 183032805 /nfs/dbraw/zinc/03/28/05/183032805.db2.gz DUKRYDRQUNOUPP-LBPRGKRZSA-N 0 0 307.777 3.888 50 0 DHAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)COc1ccccc1F ZINC000040089713 183032832 /nfs/dbraw/zinc/03/28/32/183032832.db2.gz JEYARUMFUVTKGL-IJEWVQPXSA-N 0 0 307.409 3.782 50 0 DHAARN Cc1ccc(C)c(NC(=O)CCCc2nc(C(C)C)no2)c1 ZINC000040089859 183032938 /nfs/dbraw/zinc/03/29/38/183032938.db2.gz VVNHENFURCUMRI-UHFFFAOYSA-N 0 0 301.390 3.771 50 0 DHAARN CCc1sc(C(=O)NCc2cccc(NC(C)=O)c2)cc1C ZINC000040093534 183033340 /nfs/dbraw/zinc/03/33/40/183033340.db2.gz XPPBYPJEEYYAFA-UHFFFAOYSA-N 0 0 316.426 3.507 50 0 DHAARN O=C(Nc1ccccc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000040092855 183033475 /nfs/dbraw/zinc/03/34/75/183033475.db2.gz HFQLAQIGBDBESS-UHFFFAOYSA-N 0 0 316.744 3.549 50 0 DHAARN CC(C)c1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1 ZINC000040096963 183034123 /nfs/dbraw/zinc/03/41/23/183034123.db2.gz BFBYFZPGRFTGBX-KRWDZBQOSA-N 0 0 316.376 3.804 50 0 DHAARN Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000040097657 183034209 /nfs/dbraw/zinc/03/42/09/183034209.db2.gz VAXQBSHLNCVYIX-HNNXBMFYSA-N 0 0 322.767 3.643 50 0 DHAARN Cc1ccc([C@H](O)CNC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000040097655 183034375 /nfs/dbraw/zinc/03/43/75/183034375.db2.gz VAXQBSHLNCVYIX-OAHLLOKOSA-N 0 0 322.767 3.643 50 0 DHAARN CCOc1ncccc1CNC(=O)Nc1cccc(Cl)c1F ZINC000040103683 183035400 /nfs/dbraw/zinc/03/54/00/183035400.db2.gz FIIOYRSASSZKOT-UHFFFAOYSA-N 0 0 323.755 3.595 50 0 DHAARN Cc1ccccc1/C=C/C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000040106974 183036331 /nfs/dbraw/zinc/03/63/31/183036331.db2.gz VVCRRDVQNKFVQT-FMIVXFBMSA-N 0 0 317.392 3.510 50 0 DHAARN Cc1cc(C)n(-c2ccc(CC(=O)N(C)c3ccccc3)cc2)n1 ZINC000040107391 183036377 /nfs/dbraw/zinc/03/63/77/183036377.db2.gz XCXJACJWWYGWHL-UHFFFAOYSA-N 0 0 319.408 3.695 50 0 DHAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(Cl)cc1F ZINC000040108301 183036569 /nfs/dbraw/zinc/03/65/69/183036569.db2.gz RPZONSCKJKFWAF-ABAIWWIYSA-N 0 0 313.800 3.804 50 0 DHAARN COc1ccccc1CNC(=O)Nc1cccc(OC(F)F)c1 ZINC000040120535 183037506 /nfs/dbraw/zinc/03/75/06/183037506.db2.gz KTQIWFAIKVUGRS-UHFFFAOYSA-N 0 0 322.311 3.618 50 0 DHAARN COc1ccc(C2=CCN(C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000040119679 183037714 /nfs/dbraw/zinc/03/77/14/183037714.db2.gz FVQFESNQPSEICH-UHFFFAOYSA-N 0 0 323.392 3.633 50 0 DHAARN O=C(CCc1cccc(Cl)c1Cl)N1CCSCC1 ZINC000040122309 183038308 /nfs/dbraw/zinc/03/83/08/183038308.db2.gz IWKBDCZWWXRAJH-UHFFFAOYSA-N 0 0 304.242 3.501 50 0 DHAARN C[C@H](Sc1ncccc1Cl)c1nnnn1-c1ccccc1 ZINC000040127851 183038381 /nfs/dbraw/zinc/03/83/81/183038381.db2.gz AMCSDRQHSFMHLG-JTQLQIEISA-N 0 0 317.805 3.564 50 0 DHAARN Cc1c(C(=O)N2CCC[C@@H]2c2cccs2)cnn1C(C)(C)C ZINC000040141315 183039081 /nfs/dbraw/zinc/03/90/81/183039081.db2.gz WDNFJSIFDLMKQT-CQSZACIVSA-N 0 0 317.458 3.985 50 0 DHAARN CC(C)c1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000040144036 183039220 /nfs/dbraw/zinc/03/92/20/183039220.db2.gz JWSPTPFXSNVAEM-IUCAKERBSA-N 0 0 321.368 3.969 50 0 DHAARN C[C@@H](Oc1ccc(C(=O)Nc2ccncc2)cn1)c1ccccc1 ZINC000040144784 183039322 /nfs/dbraw/zinc/03/93/22/183039322.db2.gz SEEPTKLTAPMYFH-CQSZACIVSA-N 0 0 319.364 3.869 50 0 DHAARN O=c1ccc(-c2ccco2)nn1Cc1ccc2ccccc2c1 ZINC000040286597 183051002 /nfs/dbraw/zinc/05/10/02/183051002.db2.gz YIHFGIUAQGPEBA-UHFFFAOYSA-N 0 0 302.333 3.705 50 0 DHAARN O=C1C[C@@H](c2ccsc2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040286963 183051356 /nfs/dbraw/zinc/05/13/56/183051356.db2.gz PZIBONCPHIJXPY-ZDUSSCGKSA-N 0 0 313.357 3.547 50 0 DHAARN O=C1C[C@H](c2cccs2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040284742 183051430 /nfs/dbraw/zinc/05/14/30/183051430.db2.gz RFSUHIGSBZDILX-GFCCVEGCSA-N 0 0 313.357 3.547 50 0 DHAARN O=C(CCCc1ccccc1)Nc1nnc(-c2cccnc2)s1 ZINC000040311753 183053469 /nfs/dbraw/zinc/05/34/69/183053469.db2.gz GHXXOKPBLNSVOH-UHFFFAOYSA-N 0 0 324.409 3.562 50 0 DHAARN CCOC(=O)c1ccc(Br)cc1OC(F)(F)F ZINC000040442502 183067516 /nfs/dbraw/zinc/06/75/16/183067516.db2.gz QDAATKCEXCYIPG-UHFFFAOYSA-N 0 0 313.069 3.524 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)c(OC)c1 ZINC000040473840 183074205 /nfs/dbraw/zinc/07/42/05/183074205.db2.gz UJESKAGWSGNCBV-PBHICJAKSA-N 0 0 315.413 3.724 50 0 DHAARN COc1cccc(C(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000040489899 183079794 /nfs/dbraw/zinc/07/97/94/183079794.db2.gz HIRBTDMDHZZDKD-UHFFFAOYSA-N 0 0 322.364 3.526 50 0 DHAARN CCN(C(=O)c1ccc(-c2nc(C)no2)cc1)c1ccccc1 ZINC000040489898 183079852 /nfs/dbraw/zinc/07/98/52/183079852.db2.gz BIGDDZBYTSXOCB-UHFFFAOYSA-N 0 0 307.353 3.712 50 0 DHAARN Cc1ccc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000040494089 183080682 /nfs/dbraw/zinc/08/06/82/183080682.db2.gz MKJQRWCCVUQTIX-OAHLLOKOSA-N 0 0 317.454 3.592 50 0 DHAARN O=C(Nc1cccc(NC(=O)[C@@H]2CC=CCC2)c1)c1ccncc1 ZINC000040509622 183086113 /nfs/dbraw/zinc/08/61/13/183086113.db2.gz VZJZVTAGVSNKCU-CQSZACIVSA-N 0 0 321.380 3.629 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000040526884 183092568 /nfs/dbraw/zinc/09/25/68/183092568.db2.gz QIRBRTNRYPRADT-QWRGUYRKSA-N 0 0 323.824 3.808 50 0 DHAARN O=C(NCc1cc[nH]n1)Nc1ccccc1SC1CCCC1 ZINC000040540316 183097153 /nfs/dbraw/zinc/09/71/53/183097153.db2.gz RHJMOTLFJKOGGK-UHFFFAOYSA-N 0 0 316.430 3.766 50 0 DHAARN CN(C)c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cn1 ZINC000040540791 183097442 /nfs/dbraw/zinc/09/74/42/183097442.db2.gz MHZUBTGSCDWBDW-CQSZACIVSA-N 0 0 316.430 3.578 50 0 DHAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(C)nc2C)c1 ZINC000040556093 183102352 /nfs/dbraw/zinc/10/23/52/183102352.db2.gz NEJKSBUASNHBHW-UHFFFAOYSA-N 0 0 314.385 3.748 50 0 DHAARN O=C(CCn1ncc2c1cccc2Cl)Nc1ccc(F)cc1 ZINC000040759317 183130783 /nfs/dbraw/zinc/13/07/83/183130783.db2.gz DWYGKJBWAJRYGF-UHFFFAOYSA-N 0 0 317.751 3.858 50 0 DHAARN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1F ZINC000041091288 183163752 /nfs/dbraw/zinc/16/37/52/183163752.db2.gz BFHLGYOUKUEIMU-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN O=C(Nc1nncs1)c1ccccc1CCc1ccccc1 ZINC000040883001 183146052 /nfs/dbraw/zinc/14/60/52/183146052.db2.gz AOOHFZZJHBICRH-UHFFFAOYSA-N 0 0 309.394 3.576 50 0 DHAARN c1ccc2c(c1)nc(NC[C@@H]1CCCO1)nc2NC1CCCC1 ZINC000041152425 183178228 /nfs/dbraw/zinc/17/82/28/183178228.db2.gz XDTQKNPYGAXAKM-AWEZNQCLSA-N 0 0 312.417 3.575 50 0 DHAARN COc1ccc2oc(C)c(C(=O)NCCc3ccccc3)c2c1 ZINC000041156397 183179035 /nfs/dbraw/zinc/17/90/35/183179035.db2.gz GIOCBIQRTLHKPE-UHFFFAOYSA-N 0 0 309.365 3.722 50 0 DHAARN COc1ccc2oc(C)c(C(=O)Nc3ncc(C)s3)c2c1 ZINC000041156412 183179619 /nfs/dbraw/zinc/17/96/19/183179619.db2.gz XJVRUYOQGIZGHY-UHFFFAOYSA-N 0 0 302.355 3.767 50 0 DHAARN c1ccc2nc(Sc3nnc(C4CC4)n3C3CC3)cnc2c1 ZINC000041873315 183223774 /nfs/dbraw/zinc/22/37/74/183223774.db2.gz DFLQBGVKULTNCT-UHFFFAOYSA-N 0 0 309.398 3.585 50 0 DHAARN COc1ccc(Br)cc1NC(=O)c1ccccc1 ZINC000042351061 183257492 /nfs/dbraw/zinc/25/74/92/183257492.db2.gz NBTLAMKAOYANEQ-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN O=C(Cc1cc(-c2ccco2)on1)Nc1ccc(F)c(F)c1F ZINC000042379810 183261580 /nfs/dbraw/zinc/26/15/80/183261580.db2.gz ZQCJYZOZYAVYHA-UHFFFAOYSA-N 0 0 322.242 3.533 50 0 DHAARN COc1cccc(C(=O)NCc2ccc(C)cc2)c1OC(F)F ZINC000042631482 183292519 /nfs/dbraw/zinc/29/25/19/183292519.db2.gz XORYIMKLHAPXDM-UHFFFAOYSA-N 0 0 321.323 3.535 50 0 DHAARN c1ccc(C(Cc2noc([C@H]3CCOC3)n2)c2ccccc2)cc1 ZINC000043139828 183340598 /nfs/dbraw/zinc/34/05/98/183340598.db2.gz FXWKLTGCOOJUCR-KRWDZBQOSA-N 0 0 320.392 3.948 50 0 DHAARN COc1ccc(OC)c(CNC(=O)Nc2ccccc2Cl)c1 ZINC000043146891 183341352 /nfs/dbraw/zinc/34/13/52/183341352.db2.gz BACXBXMSNXUQCY-UHFFFAOYSA-N 0 0 320.776 3.679 50 0 DHAARN CC(C)Oc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000043210418 183344435 /nfs/dbraw/zinc/34/44/35/183344435.db2.gz DRFICMRINCDJCM-UHFFFAOYSA-N 0 0 318.394 3.812 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2cccs2)on1 ZINC000043290572 183351324 /nfs/dbraw/zinc/35/13/24/183351324.db2.gz SZKSAOQFFATBIF-VXGBXAGGSA-N 0 0 305.403 3.652 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000043653944 183377911 /nfs/dbraw/zinc/37/79/11/183377911.db2.gz XRGMQJBEJYYBEN-LLVKDONJSA-N 0 0 315.348 3.667 50 0 DHAARN CC(C)CCN(C(=O)Nc1cccc(-c2nnco2)c1)C1CC1 ZINC000044085129 183394050 /nfs/dbraw/zinc/39/40/50/183394050.db2.gz NQJPJAAXTGXZLA-UHFFFAOYSA-N 0 0 314.389 3.779 50 0 DHAARN O=C(C/C=C\c1cccc(F)c1)N(Cc1cccnc1)C1CC1 ZINC000104261652 193995752 /nfs/dbraw/zinc/99/57/52/193995752.db2.gz IZUUIFRLVKYHRQ-DJWKRKHSSA-N 0 0 310.372 3.815 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(C)nc1 ZINC000046871783 183570990 /nfs/dbraw/zinc/57/09/90/183570990.db2.gz JJWNZRVNDQHWMD-OAHLLOKOSA-N 0 0 315.442 3.671 50 0 DHAARN CSc1nccn1-c1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000048227577 183628174 /nfs/dbraw/zinc/62/81/74/183628174.db2.gz SBSZDVAVBLZDSL-UHFFFAOYSA-N 0 0 324.409 3.550 50 0 DHAARN CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1Cl ZINC000048278713 183636756 /nfs/dbraw/zinc/63/67/56/183636756.db2.gz DPLMJWGPVDJUFP-WCQYABFASA-N 0 0 301.839 3.587 50 0 DHAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 ZINC000048331750 183645687 /nfs/dbraw/zinc/64/56/87/183645687.db2.gz YSOKLTXJJVGHJR-HOCLYGCPSA-N 0 0 314.429 3.644 50 0 DHAARN CC(C)Oc1ccc(CNC(=O)CCCc2cccs2)cn1 ZINC000048333581 183646504 /nfs/dbraw/zinc/64/65/04/183646504.db2.gz LRVUBKATHMENTC-UHFFFAOYSA-N 0 0 318.442 3.569 50 0 DHAARN CCOc1cccc(CNC(=O)c2c(F)cccc2Cl)c1 ZINC000048377403 183653921 /nfs/dbraw/zinc/65/39/21/183653921.db2.gz PUSDOWPZSQZGEV-UHFFFAOYSA-N 0 0 307.752 3.808 50 0 DHAARN Cc1ncc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 ZINC000048386435 183655022 /nfs/dbraw/zinc/65/50/22/183655022.db2.gz XTCURYJAJIOSGI-UHFFFAOYSA-N 0 0 313.426 3.822 50 0 DHAARN Cc1ccc(C)n1CCCC(=O)Nc1cccc2nsnc21 ZINC000049031033 183703304 /nfs/dbraw/zinc/70/33/04/183703304.db2.gz WDEFXBCJDLFGFY-UHFFFAOYSA-N 0 0 314.414 3.529 50 0 DHAARN CCOc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000053162067 183890459 /nfs/dbraw/zinc/89/04/59/183890459.db2.gz QLBBBUOKPSJXTH-UHFFFAOYSA-N 0 0 313.441 3.918 50 0 DHAARN COC(=O)N(C)c1ccc(NC(=O)c2ccc(C)s2)cc1 ZINC000056448354 184012653 /nfs/dbraw/zinc/01/26/53/184012653.db2.gz OHLQIBRQSIGONM-UHFFFAOYSA-N 0 0 304.371 3.511 50 0 DHAARN Cc1ccc(-c2nc(CN(C)[C@H](C)c3ccncn3)c(C)o2)o1 ZINC000056696654 184017967 /nfs/dbraw/zinc/01/79/67/184017967.db2.gz OGQBXJBCVQMYPY-GFCCVEGCSA-N 0 0 312.373 3.534 50 0 DHAARN CC[C@@H](C)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000056365856 184011473 /nfs/dbraw/zinc/01/14/73/184011473.db2.gz XLFNMFFCRXRQMO-CYBMUJFWSA-N 0 0 309.837 3.551 50 0 DHAARN C/C(=C/C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C1CC1 ZINC000057072341 184026326 /nfs/dbraw/zinc/02/63/26/184026326.db2.gz QYPVKVGVLRNVRU-HVCHUGMYSA-N 0 0 310.397 3.890 50 0 DHAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc[nH]1 ZINC000057331781 184033550 /nfs/dbraw/zinc/03/35/50/184033550.db2.gz FKTACMFKRUVEMU-AWEZNQCLSA-N 0 0 311.410 3.644 50 0 DHAARN COC[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000056922099 184021857 /nfs/dbraw/zinc/02/18/57/184021857.db2.gz IPNPYLGBXXSWKI-KRWDZBQOSA-N 0 0 323.436 3.704 50 0 DHAARN Cn1cnn(CN(Cc2ccccc2)Cc2ccccc2)c1=S ZINC000057401088 184037449 /nfs/dbraw/zinc/03/74/49/184037449.db2.gz MJVSDHDZXXMTHO-UHFFFAOYSA-N 0 0 324.453 3.611 50 0 DHAARN COc1cccc(NC(=O)CN[C@H](C)c2ccccc2Cl)c1 ZINC000057456384 184038887 /nfs/dbraw/zinc/03/88/87/184038887.db2.gz KKWMMYWFTQNADB-GFCCVEGCSA-N 0 0 318.804 3.638 50 0 DHAARN CCc1c(-c2cc3cccc(OC)c3oc2=O)nc2ccccn21 ZINC000057523638 184041159 /nfs/dbraw/zinc/04/11/59/184041159.db2.gz HJULLANWJVBTNR-UHFFFAOYSA-N 0 0 320.348 3.679 50 0 DHAARN CCCN(CCC)C(=O)CN1CCc2sccc2[C@@H]1CC ZINC000057625633 184042678 /nfs/dbraw/zinc/04/26/78/184042678.db2.gz QCKIDDWCVFPHNR-HNNXBMFYSA-N 0 0 308.491 3.706 50 0 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CCCn1nc(CNC(=O)c2ccccc2C)c2ccccc21 ZINC000065219709 184314986 /nfs/dbraw/zinc/31/49/86/184314986.db2.gz CQWAZHIJNYSTCG-UHFFFAOYSA-N 0 0 307.397 3.685 50 0 DHAARN Cc1cccc(C(=O)NCc2nn(C(C)C)c3ccccc23)c1 ZINC000065219843 184315079 /nfs/dbraw/zinc/31/50/79/184315079.db2.gz JZVWSVOIILJTQH-UHFFFAOYSA-N 0 0 307.397 3.856 50 0 DHAARN CCc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000064580970 184301097 /nfs/dbraw/zinc/30/10/97/184301097.db2.gz KUYKUXLKAYUGSX-UHFFFAOYSA-N 0 0 323.371 3.504 50 0 DHAARN O=C1C[C@@H](c2ccccc2)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000064667214 184302233 /nfs/dbraw/zinc/30/22/33/184302233.db2.gz SGIRNBHGNAPJQJ-HNNXBMFYSA-N 0 0 323.783 4.000 50 0 DHAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000064667286 184302237 /nfs/dbraw/zinc/30/22/37/184302237.db2.gz GPUXXJXQDYIRPC-MRXNPFEDSA-N 0 0 321.355 3.794 50 0 DHAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NC1CC1 ZINC000064677171 184302858 /nfs/dbraw/zinc/30/28/58/184302858.db2.gz IKJCVYNUMDUXMV-UHFFFAOYSA-N 0 0 323.421 3.557 50 0 DHAARN Clc1ccccc1-c1nc(-c2ccc(-n3ccnc3)nc2)no1 ZINC000065239608 184316863 /nfs/dbraw/zinc/31/68/63/184316863.db2.gz QSJQZQRQSOZCGV-UHFFFAOYSA-N 0 0 323.743 3.638 50 0 DHAARN COc1cccc(NC(=O)c2cc3c(s2)CN(C(C)C)C3)c1 ZINC000065238714 184317093 /nfs/dbraw/zinc/31/70/93/184317093.db2.gz IMJOBMGFFPZVCM-UHFFFAOYSA-N 0 0 316.426 3.733 50 0 DHAARN CCc1nnc2ccc(-c3noc(-c4ccc(CC)cc4)n3)cn21 ZINC000065241267 184317762 /nfs/dbraw/zinc/31/77/62/184317762.db2.gz IPUFEYUNSONPSG-UHFFFAOYSA-N 0 0 319.368 3.571 50 0 DHAARN Cc1cccc(Cn2cccc2-c2nc(-c3ccncc3)no2)c1 ZINC000065288384 184323121 /nfs/dbraw/zinc/32/31/21/184323121.db2.gz ZROMYPVKCUGPJY-UHFFFAOYSA-N 0 0 316.364 3.957 50 0 DHAARN COc1ccccc1CCC(=O)N1CCc2ccccc2[C@H]1C ZINC000065293103 184323884 /nfs/dbraw/zinc/32/38/84/184323884.db2.gz IWGJKVATJVAMIP-OAHLLOKOSA-N 0 0 309.409 3.774 50 0 DHAARN Cc1ccsc1[C@@H]1CCN(C(=O)CC2=CCCCC2)C[C@H]1O ZINC000065373805 184330898 /nfs/dbraw/zinc/33/08/98/184330898.db2.gz SHUQTMNGLVPWKY-HZPDHXFCSA-N 0 0 319.470 3.624 50 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50 0 DHAARN COc1c(F)cc([C@H]2CC(=O)Nc3cc(O)ccc32)cc1Cl ZINC000065488121 184352951 /nfs/dbraw/zinc/35/29/51/184352951.db2.gz ZGDRSUTYOQEMHC-LLVKDONJSA-N 0 0 321.735 3.667 50 0 DHAARN COc1ccccc1-n1nc(C2CC2)nc1-c1ccccc1O ZINC000065529989 184360975 /nfs/dbraw/zinc/36/09/75/184360975.db2.gz ZEHYQWDAZVTCJU-UHFFFAOYSA-N 0 0 307.353 3.526 50 0 DHAARN CCn1c(C)cc(C(=O)N[C@H](C)c2sc(C)nc2C)c1C ZINC000065554348 184365774 /nfs/dbraw/zinc/36/57/74/184365774.db2.gz FREOUYAJSOTERS-LLVKDONJSA-N 0 0 305.447 3.689 50 0 DHAARN CCCc1noc([C@@H](C)Sc2nnc(SCC)s2)n1 ZINC000065563238 184366123 /nfs/dbraw/zinc/36/61/23/184366123.db2.gz IMWHIKFTYOKKAL-SSDOTTSWSA-N 0 0 316.477 3.839 50 0 DHAARN COc1cccc(CNc2cc(F)c(F)cc2NC(C)=O)c1 ZINC000065625311 184375324 /nfs/dbraw/zinc/37/53/24/184375324.db2.gz HAPAIHPJDZXKSH-UHFFFAOYSA-N 0 0 306.312 3.544 50 0 DHAARN O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1c(F)cccc1F ZINC000065729515 184378022 /nfs/dbraw/zinc/37/80/22/184378022.db2.gz VLUUNKBZTUQECV-UHFFFAOYSA-N 0 0 317.270 3.542 50 0 DHAARN O=C(Nc1ccnn1C1CCCCC1)c1c[nH]c2ncccc12 ZINC000066660623 184422090 /nfs/dbraw/zinc/42/20/90/184422090.db2.gz CRHYAMJQJWERHB-UHFFFAOYSA-N 0 0 309.373 3.517 50 0 DHAARN CCn1ccnc1-c1nccn1Cc1ccccc1C(F)(F)F ZINC000067641395 184475599 /nfs/dbraw/zinc/47/55/99/184475599.db2.gz RWOAGUXWHXKISY-UHFFFAOYSA-N 0 0 320.318 3.834 50 0 DHAARN CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cc(C)[nH]n1 ZINC000067739881 184483994 /nfs/dbraw/zinc/48/39/94/184483994.db2.gz QHFHYFQQZBFYIX-HNNXBMFYSA-N 0 0 310.401 3.846 50 0 DHAARN COc1ccc(Cn2ccnc2-c2ccnc(C(C)C)n2)cc1 ZINC000067934431 184491406 /nfs/dbraw/zinc/49/14/06/184491406.db2.gz RAWATHVYNQYHJN-UHFFFAOYSA-N 0 0 308.385 3.520 50 0 DHAARN COc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2OC)cc1 ZINC000069516106 184521958 /nfs/dbraw/zinc/52/19/58/184521958.db2.gz QYENVUVDXJVMSR-UHFFFAOYSA-N 0 0 322.364 3.951 50 0 DHAARN N#CN(Cc1ccn(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000119702689 195021527 /nfs/dbraw/zinc/02/15/27/195021527.db2.gz QGLQQBOFZJEIFR-UHFFFAOYSA-N 0 0 310.307 3.638 50 0 DHAARN COCC1(NC(=O)Nc2ccc(Cl)cc2F)CCCC1 ZINC000299775713 533149240 /nfs/dbraw/zinc/14/92/40/533149240.db2.gz HEPMTUFTGDINMZ-UHFFFAOYSA-N 0 0 300.761 3.560 50 0 DHAARN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000155247471 197036426 /nfs/dbraw/zinc/03/64/26/197036426.db2.gz UFQJCXWYECJGPX-PXAZEXFGSA-N 0 0 320.348 3.845 50 0 DHAARN CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)no1 ZINC000154113040 196939992 /nfs/dbraw/zinc/93/99/92/196939992.db2.gz KXTPSMGJUJJEDR-INIZCTEOSA-N 0 0 313.401 3.951 50 0 DHAARN Cc1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)no1 ZINC000153173034 196857811 /nfs/dbraw/zinc/85/78/11/196857811.db2.gz LDBPIOUJCNUYRR-YMRXKLBXSA-N 0 0 321.380 3.512 50 0 DHAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nc3ncccc3o2)c1 ZINC000020993855 256529218 /nfs/dbraw/zinc/52/92/18/256529218.db2.gz WXHDFKKWDXPQAQ-LLVKDONJSA-N 0 0 313.382 3.651 50 0 DHAARN CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccccn1 ZINC000040539792 256533975 /nfs/dbraw/zinc/53/39/75/256533975.db2.gz AUBWWWHBYYGKFW-RMKNXTFCSA-N 0 0 306.818 3.858 50 0 DHAARN COc1ccccc1CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000048310337 256535648 /nfs/dbraw/zinc/53/56/48/256535648.db2.gz DVHIKXCORBHACG-KRWDZBQOSA-N 0 0 310.397 3.572 50 0 DHAARN CC(C)c1nnsc1CNC(=O)c1cc2c(s1)CCCC2 ZINC000092028772 256548989 /nfs/dbraw/zinc/54/89/89/256548989.db2.gz FMQMJVSGXBGBLI-UHFFFAOYSA-N 0 0 321.471 3.532 50 0 DHAARN Cn1cc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cn1 ZINC000151036474 256587310 /nfs/dbraw/zinc/58/73/10/256587310.db2.gz GJUFCBDLPBYYGC-UHFFFAOYSA-N 0 0 324.365 3.542 50 0 DHAARN Cc1ccc(N)cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000193468351 256591829 /nfs/dbraw/zinc/59/18/29/256591829.db2.gz LJPHWJNWHBLHON-FXAWDEMLSA-N 0 0 306.409 3.810 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000014125145 257233625 /nfs/dbraw/zinc/23/36/25/257233625.db2.gz SDTLNSDUKOTPFH-UHFFFAOYSA-N 0 0 319.788 3.847 50 0 DHAARN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc[nH]1 ZINC000096423941 257210667 /nfs/dbraw/zinc/21/06/67/257210667.db2.gz CMKXUGFGOKOEEI-UHFFFAOYSA-N 0 0 305.381 3.739 50 0 DHAARN C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)c2ccccc2N1 ZINC000096424002 257210669 /nfs/dbraw/zinc/21/06/69/257210669.db2.gz HQLXAYJXDOREEK-LLVKDONJSA-N 0 0 301.777 3.586 50 0 DHAARN CCC1(CNC(=O)c2oc3c(c2C)c(C)ccc3C)COC1 ZINC000456478455 257235334 /nfs/dbraw/zinc/23/53/34/257235334.db2.gz ZXAUNNNVEFBRIG-UHFFFAOYSA-N 0 0 301.386 3.514 50 0 DHAARN O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)[C@@H]1CC=CCC1 ZINC000521396235 257240399 /nfs/dbraw/zinc/24/03/99/257240399.db2.gz ACONGWBHKICUPJ-CQSZACIVSA-N 0 0 318.442 3.875 50 0 DHAARN CCCC(=CC(=O)N[C@H](C)c1ncc(C(=O)OC)s1)CCC ZINC000521395793 257240939 /nfs/dbraw/zinc/24/09/39/257240939.db2.gz BAMVDAKLAOPOAQ-LLVKDONJSA-N 0 0 324.446 3.634 50 0 DHAARN O=C(c1c([O-])oc2cccc[n+]21)c1ccc(Br)cc1 ZINC000022215877 257242393 /nfs/dbraw/zinc/24/23/93/257242393.db2.gz NQCOXVSZIBXZIP-UHFFFAOYSA-O 0 0 319.134 3.513 50 0 DHAARN CCCC[C@H](c1cccnc1)N(C)C(=O)NCc1ccoc1 ZINC000426691321 257244476 /nfs/dbraw/zinc/24/44/76/257244476.db2.gz RTRWBTZJXLJMPV-MRXNPFEDSA-N 0 0 301.390 3.748 50 0 DHAARN CO[C@@H](C)c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1 ZINC000426581328 257245736 /nfs/dbraw/zinc/24/57/36/257245736.db2.gz STESWEVCXGRESV-LBPRGKRZSA-N 0 0 301.365 3.590 50 0 DHAARN COCCN(CC1CC1)C(=O)c1ccc(-c2ccc(C)nc2)cc1 ZINC000426578788 257245865 /nfs/dbraw/zinc/24/58/65/257245865.db2.gz PGXBEKLYRIGYJH-UHFFFAOYSA-N 0 0 324.424 3.556 50 0 DHAARN CC[C@@H](COC)NC(=O)c1cccc(-c2cc(C)ccc2O)c1 ZINC000426490013 257248131 /nfs/dbraw/zinc/24/81/31/257248131.db2.gz BMYZLTIQEJLFQV-INIZCTEOSA-N 0 0 313.397 3.522 50 0 DHAARN Cc1ccc([C@@]2(C(=O)NCCCc3cccnc3)CC2(C)C)cc1 ZINC000426488258 257249681 /nfs/dbraw/zinc/24/96/81/257249681.db2.gz NLYIOYCDNUBBPV-OAQYLSRUSA-N 0 0 322.452 3.807 50 0 DHAARN C[C@H](NC(=O)N(C)Cc1cc[nH]n1)c1ccc(C(C)(C)C)cc1 ZINC000426432046 257250145 /nfs/dbraw/zinc/25/01/45/257250145.db2.gz RRVBKTYIJYHRHR-ZDUSSCGKSA-N 0 0 314.433 3.610 50 0 DHAARN CSCCCNC(=O)c1ccc(-c2ccc(C)nc2C)cc1 ZINC000426387210 257252552 /nfs/dbraw/zinc/25/25/52/257252552.db2.gz DLICFJUNFFXNDO-UHFFFAOYSA-N 0 0 314.454 3.848 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)c2cnoc2-c2ccccc2)on1 ZINC000426396358 257252664 /nfs/dbraw/zinc/25/26/64/257252664.db2.gz FNLDCTOODKFCEQ-OAHLLOKOSA-N 0 0 323.352 3.615 50 0 DHAARN COC(=O)c1ccccc1N(C)C(=O)c1ccc2ccccc2c1 ZINC000012779395 257254041 /nfs/dbraw/zinc/25/40/41/257254041.db2.gz YAMUUWYQMGHWKN-UHFFFAOYSA-N 0 0 319.360 3.903 50 0 DHAARN CCOC(=O)C[C@H](N[C@H](C)c1ccccn1)c1ccccc1C ZINC000408522927 257254774 /nfs/dbraw/zinc/25/47/74/257254774.db2.gz FAOZQZOPKKORTP-QAPCUYQASA-N 0 0 312.413 3.735 50 0 DHAARN CCOC(=O)C[C@@H](N[C@@H](C)c1ccccn1)c1ccccc1C ZINC000408522926 257254989 /nfs/dbraw/zinc/25/49/89/257254989.db2.gz FAOZQZOPKKORTP-MAUKXSAKSA-N 0 0 312.413 3.735 50 0 DHAARN O=c1[nH]ncc(NCc2ccc(-c3ccco3)cc2F)c1Cl ZINC000408515134 257255955 /nfs/dbraw/zinc/25/59/55/257255955.db2.gz FPAUPAVSPXYVSN-UHFFFAOYSA-N 0 0 319.723 3.847 50 0 DHAARN Cc1ccc(N[C@@H](C)C(=O)NCc2cccs2)cc1Cl ZINC000028907613 257269581 /nfs/dbraw/zinc/26/95/81/257269581.db2.gz NKESWXGSFNGSTL-NSHDSACASA-N 0 0 308.834 3.827 50 0 DHAARN CC(C)(C)c1ncc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000071827905 184857615 /nfs/dbraw/zinc/85/76/15/184857615.db2.gz ZXEBBXXEGPQGRZ-GFCCVEGCSA-N 0 0 303.431 3.746 50 0 DHAARN O=C([C@@H]1C[C@H]1c1ccco1)N1CCCCC[C@@H]1c1ccncc1 ZINC000071835001 184861948 /nfs/dbraw/zinc/86/19/48/184861948.db2.gz HGUZONOSXCKJFL-BRWVUGGUSA-N 0 0 310.397 3.922 50 0 DHAARN Cc1sc(NC(=O)C2CCC2)c(C(N)=O)c1-c1ccccc1 ZINC000071798351 184844532 /nfs/dbraw/zinc/84/45/32/184844532.db2.gz NZDGUZADQDSXRV-UHFFFAOYSA-N 0 0 314.410 3.561 50 0 DHAARN Cc1nc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cs1 ZINC000071884564 184887813 /nfs/dbraw/zinc/88/78/13/184887813.db2.gz PCCJGIDLUWOGGR-KBPBESRZSA-N 0 0 306.818 3.525 50 0 DHAARN CSc1ccc(C)c(C(=O)Nc2cccc([S@](C)=O)c2)c1 ZINC000071893530 184891555 /nfs/dbraw/zinc/89/15/55/184891555.db2.gz CCVMFZXLSDNKKR-OAQYLSRUSA-N 0 0 319.451 3.707 50 0 DHAARN COc1ccc([C@H](C)Nc2ccc3oc(=O)[nH]c3c2)cc1Cl ZINC000071902477 184896830 /nfs/dbraw/zinc/89/68/30/184896830.db2.gz DVGGUKRLCLSCGR-VIFPVBQESA-N 0 0 318.760 3.956 50 0 DHAARN C[S@](=O)Cc1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000071908766 184900468 /nfs/dbraw/zinc/90/04/68/184900468.db2.gz KGDXDIUBEYPDFE-LJQANCHMSA-N 0 0 301.839 3.593 50 0 DHAARN Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(C(C)C)on2)cc1 ZINC000121989225 195386580 /nfs/dbraw/zinc/38/65/80/195386580.db2.gz LWFBEKBRSKMPGX-INIZCTEOSA-N 0 0 312.413 3.954 50 0 DHAARN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c(C)[nH]nc1C(F)F ZINC000274536297 130243750 /nfs/dbraw/zinc/24/37/50/130243750.db2.gz RRBHVRJMFNDUTQ-GHMZBOCLSA-N 0 0 315.364 3.580 50 0 DHAARN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c(C)[nH]nc1C(F)F ZINC000274536305 130244361 /nfs/dbraw/zinc/24/43/61/130244361.db2.gz RRBHVRJMFNDUTQ-WDEREUQCSA-N 0 0 315.364 3.580 50 0 DHAARN O=S(=O)(CCC(F)(F)F)Cc1ccccc1C(F)(F)F ZINC000277766461 130638275 /nfs/dbraw/zinc/63/82/75/130638275.db2.gz FUMYEBVNGKFDQV-UHFFFAOYSA-N 0 0 320.254 3.573 50 0 DHAARN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ncoc1C1CC1 ZINC000294502848 131838980 /nfs/dbraw/zinc/83/89/80/131838980.db2.gz IJLQRGIWDUNOCD-ZDUSSCGKSA-N 0 0 302.761 3.623 50 0 DHAARN C[C@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccc(F)cc1 ZINC000299165694 132092577 /nfs/dbraw/zinc/09/25/77/132092577.db2.gz UIZLWYHBXHCASL-CQSZACIVSA-N 0 0 312.388 3.906 50 0 DHAARN O=C(Nc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000475828 134438413 /nfs/dbraw/zinc/43/84/13/134438413.db2.gz ZUQXPRZKDPWHFM-UHFFFAOYSA-N 0 0 315.804 3.694 50 0 DHAARN CC[C@H]1CN(C(=O)NCCc2ccccc2)c2ccccc2O1 ZINC000006845602 134480194 /nfs/dbraw/zinc/48/01/94/134480194.db2.gz MAUHXGDRXQEQDJ-INIZCTEOSA-N 0 0 310.397 3.616 50 0 DHAARN Cc1ccccc1[C@H]1CC(=O)c2cnc(N3CCCCC3)nc2C1 ZINC000020101981 134642875 /nfs/dbraw/zinc/64/28/75/134642875.db2.gz XXFKBCNWJXGIRK-OAHLLOKOSA-N 0 0 321.424 3.688 50 0 DHAARN Cc1ccc(C2CC(=O)N(c3ccc(F)c(F)c3)C(=O)C2)cc1 ZINC000033256446 134686417 /nfs/dbraw/zinc/68/64/17/134686417.db2.gz ORRQSQLLSCYXRY-UHFFFAOYSA-N 0 0 315.319 3.710 50 0 DHAARN O=C1c2ccccc2N[C@H](c2ccsc2)N1c1ccncc1 ZINC000048368433 134752493 /nfs/dbraw/zinc/75/24/93/134752493.db2.gz NJUIRXZVOOCAFH-INIZCTEOSA-N 0 0 307.378 3.914 50 0 DHAARN Fc1ccc2oc(Nc3ccc(O[C@H]4CCOC4)cc3)nc2c1 ZINC000131714002 196193063 /nfs/dbraw/zinc/19/30/63/196193063.db2.gz KOHFJVSMSUSQKX-AWEZNQCLSA-N 0 0 314.316 3.878 50 0 DHAARN CSc1ccccc1NC(=O)N(C)CCC[C@H]1CCCO1 ZINC000299780282 229433521 /nfs/dbraw/zinc/43/35/21/229433521.db2.gz SECCPOLWSOGEMB-ZDUSSCGKSA-N 0 0 308.447 3.831 50 0 DHAARN Cc1ccc(OS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000002835222 262532381 /nfs/dbraw/zinc/53/23/81/262532381.db2.gz OPEDJVRECFZVND-UHFFFAOYSA-N 0 0 304.411 3.996 50 0 DHAARN COc1ccccc1/C=C/C(=O)Nc1nc2ccccc2s1 ZINC000001243000 431218108 /nfs/dbraw/zinc/21/81/08/431218108.db2.gz ATCHYLKLKIVCBF-ZHACJKMWSA-N 0 0 310.378 3.957 50 0 DHAARN CN(C(=S)NC(=O)c1ccccc1Cl)C1CCCCC1 ZINC000000359187 331461879 /nfs/dbraw/zinc/46/18/79/331461879.db2.gz ITHLKJCHASOJSY-UHFFFAOYSA-N 0 0 310.850 3.619 50 0 DHAARN CSc1ccc(Cl)c(C(=O)NCCOc2ccccc2)c1 ZINC000002170945 331469084 /nfs/dbraw/zinc/46/90/84/331469084.db2.gz JLPYUKIMHACLHB-UHFFFAOYSA-N 0 0 321.829 3.871 50 0 DHAARN COc1cccc(NC(=O)COc2ccc(F)cc2Cl)c1 ZINC000003320804 331479616 /nfs/dbraw/zinc/47/96/16/331479616.db2.gz ZFIJCNNBQOVRGP-UHFFFAOYSA-N 0 0 309.724 3.505 50 0 DHAARN COc1cc(OC)c(NC(=O)c2ccc(C)s2)cc1Cl ZINC000003353662 331479807 /nfs/dbraw/zinc/47/98/07/331479807.db2.gz OPBYNYMWWKJLDH-UHFFFAOYSA-N 0 0 311.790 3.979 50 0 DHAARN O=C(OCc1nc2ccccc2s1)c1c(F)cccc1F ZINC000003396651 331480372 /nfs/dbraw/zinc/48/03/72/331480372.db2.gz ASSUBVOYSLOGQX-UHFFFAOYSA-N 0 0 305.305 3.932 50 0 DHAARN CCCNC(=O)/C(=C\c1ccccc1)c1nc2ccccc2[nH]1 ZINC000006566939 331497233 /nfs/dbraw/zinc/49/72/33/331497233.db2.gz SXYYGBUMXVPBCA-SQFISAMPSA-N 0 0 305.381 3.630 50 0 DHAARN COC(=O)CCSc1ncnc2sc3c(c21)CCCCC3 ZINC000008756028 331508684 /nfs/dbraw/zinc/50/86/84/331508684.db2.gz AEYFOFYBBDUEDN-UHFFFAOYSA-N 0 0 322.455 3.615 50 0 DHAARN Cc1cc(-c2csc(-c3ccc4c(c3)OCCO4)n2)on1 ZINC000185928224 331714597 /nfs/dbraw/zinc/71/45/97/331714597.db2.gz GQZIHIABJNMNNH-UHFFFAOYSA-N 0 0 300.339 3.545 50 0 DHAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCCn1cccn1 ZINC000050310723 331749412 /nfs/dbraw/zinc/74/94/12/331749412.db2.gz JTPKWSUKJOQMEL-AWEZNQCLSA-N 0 0 311.385 3.629 50 0 DHAARN Clc1ccc2ncc(-c3cccc(Br)n3)n2c1 ZINC000051943305 331758991 /nfs/dbraw/zinc/75/89/91/331758991.db2.gz HERAKKWSDPDIEN-UHFFFAOYSA-N 0 0 308.566 3.812 50 0 DHAARN C[C@H](O)c1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000053755854 331769094 /nfs/dbraw/zinc/76/90/94/331769094.db2.gz QLWLCQRMRWQJRY-NSHDSACASA-N 0 0 304.777 3.715 50 0 DHAARN Cc1nc2ccccc2n1CCOC(=O)/C=C/c1ccccc1 ZINC000056220562 331781574 /nfs/dbraw/zinc/78/15/74/331781574.db2.gz OPTKVSVSAHQXMZ-VAWYXSNFSA-N 0 0 306.365 3.601 50 0 DHAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1cccc(F)c1 ZINC000016399167 332157386 /nfs/dbraw/zinc/15/73/86/332157386.db2.gz KSCNZWYNQPYFHA-UHFFFAOYSA-N 0 0 316.719 3.957 50 0 DHAARN O=C(c1cccs1)c1nocc1C(=O)c1ccc(Cl)cc1 ZINC000000129198 332603829 /nfs/dbraw/zinc/60/38/29/332603829.db2.gz JJLFFUGIJBWNFQ-UHFFFAOYSA-N 0 0 317.753 3.852 50 0 DHAARN COc1ccc(C2=NO[C@]3(C2)N(C)c2ccccc2C3(C)C)cc1 ZINC000006962159 332714798 /nfs/dbraw/zinc/71/47/98/332714798.db2.gz HACSKTSDWBTXLT-FQEVSTJZSA-N 0 0 322.408 3.944 50 0 DHAARN FC(F)(F)c1ccc2sc(N[C@H]3CCCOC3)nc2c1 ZINC000109548811 333019013 /nfs/dbraw/zinc/01/90/13/333019013.db2.gz DIXRPKKKYHJUNT-VIFPVBQESA-N 0 0 302.321 3.906 50 0 DHAARN CC(C)c1ccc(CNC(=O)c2cc3ccncc3n2C)cc1 ZINC000065134840 333156319 /nfs/dbraw/zinc/15/63/19/333156319.db2.gz RYZOJPKPDXSMOA-UHFFFAOYSA-N 0 0 307.397 3.627 50 0 DHAARN Cc1csc([C@@H](C)CNC(=O)Cc2ccccc2Cl)n1 ZINC000186086234 333371985 /nfs/dbraw/zinc/37/19/85/333371985.db2.gz WSORVLUIFIMVKP-JTQLQIEISA-N 0 0 308.834 3.567 50 0 DHAARN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccn(C(F)F)n1 ZINC000534582548 334289769 /nfs/dbraw/zinc/28/97/69/334289769.db2.gz XNSDNCVBCQUOFW-LBPRGKRZSA-N 0 0 321.371 3.764 50 0 DHAARN COCc1ccc(C(=O)N[C@H](CC(C)C)c2cccnc2)cc1 ZINC000534635555 334308945 /nfs/dbraw/zinc/30/89/45/334308945.db2.gz HUYTYGUMCJNADZ-GOSISDBHSA-N 0 0 312.413 3.745 50 0 DHAARN CCc1ncc(C(=O)N2CCc3sccc3[C@H]2CC)s1 ZINC000049158443 334322798 /nfs/dbraw/zinc/32/27/98/334322798.db2.gz UWPSIOSGGVBOBQ-LLVKDONJSA-N 0 0 306.456 3.917 50 0 DHAARN CCc1cc(=O)[nH]c(SCc2cccc3c2OC(C)(C)C3)n1 ZINC000333645987 336207645 /nfs/dbraw/zinc/20/76/45/336207645.db2.gz DAINFNNVDJCXFN-UHFFFAOYSA-N 0 0 316.426 3.750 50 0 DHAARN COc1ccc(NC(=S)NCc2ccc(C)c(C)c2)cc1 ZINC000000402034 336220247 /nfs/dbraw/zinc/22/02/47/336220247.db2.gz WPGNHXJLZAVCGL-UHFFFAOYSA-N 0 0 300.427 3.799 50 0 DHAARN Cc1cc(Sc2nnc(-c3cc4ccccc4o3)o2)ncn1 ZINC000301526621 336312504 /nfs/dbraw/zinc/31/25/04/336312504.db2.gz JHMMMFISZDEDGL-UHFFFAOYSA-N 0 0 310.338 3.732 50 0 DHAARN C[C@@H](N[C@@H](C)c1nccn1C)c1ccc(-c2ccncc2)cc1 ZINC000183059774 337191178 /nfs/dbraw/zinc/19/11/78/337191178.db2.gz BXRFCZKCOXVGOB-CABCVRRESA-N 0 0 306.413 3.894 50 0 DHAARN C[C@@H]1c2cc(F)ccc2CCN1Cc1nnc(-c2ccco2)o1 ZINC000096406955 337381760 /nfs/dbraw/zinc/38/17/60/337381760.db2.gz OGMJKTVKVINYIT-LLVKDONJSA-N 0 0 313.332 3.588 50 0 DHAARN COc1ccc([S@@](=O)Cc2ncc(Cl)cc2Cl)cc1 ZINC000097094854 337382025 /nfs/dbraw/zinc/38/20/25/337382025.db2.gz CWJMJZVCBWINBM-LJQANCHMSA-N 0 0 316.209 3.705 50 0 DHAARN O=C(NCc1cccnc1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000120968206 337882789 /nfs/dbraw/zinc/88/27/89/337882789.db2.gz QWXWYPVLVWMJNQ-IBGZPJMESA-N 0 0 321.424 3.833 50 0 DHAARN CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000136647544 341264019 /nfs/dbraw/zinc/26/40/19/341264019.db2.gz GXZOMPIILWCKHL-QGZVFWFLSA-N 0 0 315.800 3.612 50 0 DHAARN O=C(NCc1ccccn1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000079938876 341267984 /nfs/dbraw/zinc/26/79/84/341267984.db2.gz UBEUOFQOBIJFMU-LJQANCHMSA-N 0 0 321.424 3.833 50 0 DHAARN CC[C@H]1CC[C@H](C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000249397468 341397142 /nfs/dbraw/zinc/39/71/42/341397142.db2.gz UCJCMUUGXAUEBV-JOCQHMNTSA-N 0 0 316.380 3.561 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1csc([C@@H]2CCCO2)n1 ZINC000157833801 341646387 /nfs/dbraw/zinc/64/63/87/341646387.db2.gz IIPZGTZAVIXRLJ-LBPRGKRZSA-N 0 0 310.325 3.525 50 0 DHAARN O=C(Nc1ccccc1F)N1C[C@H]2CCCN2c2ccccc21 ZINC000020985497 518201228 /nfs/dbraw/zinc/20/12/28/518201228.db2.gz GVPSHXRRHJEBGF-CYBMUJFWSA-N 0 0 311.360 3.847 50 0 DHAARN Cc1cc(C)c(NC(=O)CNc2ccnc(C(C)C)n2)c(C)c1 ZINC000106464021 524288121 /nfs/dbraw/zinc/28/81/21/524288121.db2.gz UKJVURNFHYCQLV-UHFFFAOYSA-N 0 0 312.417 3.576 50 0 DHAARN O=C(NC[C@@H]1CSCCS1)c1cccc(Cl)c1Cl ZINC000176650884 526557032 /nfs/dbraw/zinc/55/70/32/526557032.db2.gz KZURVIBNXWZOSU-MRVPVSSYSA-N 0 0 322.282 3.572 50 0 DHAARN O=C(CCc1ccncn1)N1CCC[C@H]1CCC1CCCCC1 ZINC000191290092 526627592 /nfs/dbraw/zinc/62/75/92/526627592.db2.gz TXEBFCRIKFCBIS-SFHVURJKSA-N 0 0 315.461 3.761 50 0 DHAARN CC(C)COc1ccc([C@H](C)NC(=O)N2CCCCO2)cc1 ZINC000283590250 535236006 /nfs/dbraw/zinc/23/60/06/535236006.db2.gz KHGBXYWSIDZIJM-AWEZNQCLSA-N 0 0 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300.427 3.773 50 0 DHAARN Cc1ccccc1SCCC(=O)NCc1ccc(F)cc1 ZINC000084247642 563825622 /nfs/dbraw/zinc/82/56/22/563825622.db2.gz QMFUOAJAVUEFIA-UHFFFAOYSA-N 0 0 303.402 3.933 50 0 DHAARN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nccn1C ZINC000006369925 563872649 /nfs/dbraw/zinc/87/26/49/563872649.db2.gz FYODCKYDVJXDAW-ZDUSSCGKSA-N 0 0 317.458 3.971 50 0 DHAARN CSCc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 ZINC000006879063 563897823 /nfs/dbraw/zinc/89/78/23/563897823.db2.gz NLTXNHUNNWWSHN-UHFFFAOYSA-N 0 0 303.402 3.661 50 0 DHAARN CC(C)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000007209753 563904543 /nfs/dbraw/zinc/90/45/43/563904543.db2.gz HRIWUCKCITURQI-SECBINFHSA-N 0 0 308.472 3.858 50 0 DHAARN CCCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 ZINC000007405372 563905920 /nfs/dbraw/zinc/90/59/20/563905920.db2.gz GYYSBKZWKJYEIW-UHFFFAOYSA-N 0 0 311.353 3.718 50 0 DHAARN C[C@@H]1CCc2nc(NC(=O)Cc3ccccc3F)sc2C1 ZINC000006995151 563900817 /nfs/dbraw/zinc/90/08/17/563900817.db2.gz YKLWRSOMLVENQU-SNVBAGLBSA-N 0 0 304.390 3.588 50 0 DHAARN CC(=O)c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000170609659 563907605 /nfs/dbraw/zinc/90/76/05/563907605.db2.gz QPCFQMPSFVXEJW-UHFFFAOYSA-N 0 0 304.733 3.892 50 0 DHAARN Fc1ccc(NCC2=CCCOC2)c(OCC(F)(F)F)c1 ZINC000089793427 563911223 /nfs/dbraw/zinc/91/12/23/563911223.db2.gz PLLZPHIXQHSVEW-UHFFFAOYSA-N 0 0 305.271 3.525 50 0 DHAARN O=C(CCc1ccccc1)OCC(=O)c1ccc(Cl)s1 ZINC000007814710 563919924 /nfs/dbraw/zinc/91/99/24/563919924.db2.gz WJNHYFOXRJJHBE-UHFFFAOYSA-N 0 0 308.786 3.760 50 0 DHAARN O=C1c2ccccc2N(c2ccccc2)C(=O)C1(Cl)Cl ZINC000000135363 563222177 /nfs/dbraw/zinc/22/21/77/563222177.db2.gz NBWVSBMFATXBKU-UHFFFAOYSA-N 0 0 306.148 3.722 50 0 DHAARN Fc1c(F)c(Br)c(F)c(F)c1Br ZINC000001627140 563288479 /nfs/dbraw/zinc/28/84/79/563288479.db2.gz QFTZULJNRAHOIY-UHFFFAOYSA-N 0 0 307.866 3.768 50 0 DHAARN CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002994361 563320570 /nfs/dbraw/zinc/32/05/70/563320570.db2.gz XRILPSYFPJRDDG-ZDUSSCGKSA-N 0 0 324.852 3.920 50 0 DHAARN CCOc1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000002965433 563317999 /nfs/dbraw/zinc/31/79/99/563317999.db2.gz XJSVWILCQRRAQJ-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1C ZINC000007309989 563337852 /nfs/dbraw/zinc/33/78/52/563337852.db2.gz VHCZGUQQADXJOU-OAHLLOKOSA-N 0 0 321.467 3.891 50 0 DHAARN Cc1cc(C)n(C[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000008714381 563349097 /nfs/dbraw/zinc/34/90/97/563349097.db2.gz XQQILRXMZICPMS-NSHDSACASA-N 0 0 305.809 3.737 50 0 DHAARN CCCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)cs1 ZINC000013326320 563380844 /nfs/dbraw/zinc/38/08/44/563380844.db2.gz BXKWGTWKOOIPND-UHFFFAOYSA-N 0 0 305.399 3.970 50 0 DHAARN CC(=O)Nc1cccc(C(=O)N(C)[C@H](C)c2cccs2)c1 ZINC000032841982 563401569 /nfs/dbraw/zinc/40/15/69/563401569.db2.gz ZYIGPTKCKUEUMS-LLVKDONJSA-N 0 0 302.399 3.540 50 0 DHAARN CSc1cccc(NC(=O)c2cccc(C[S@@](C)=O)c2)c1 ZINC000032865813 563403327 /nfs/dbraw/zinc/40/33/27/563403327.db2.gz WXVZIGXBBDUOQS-NRFANRHFSA-N 0 0 319.451 3.539 50 0 DHAARN CC1(C)Cc2nc3ccc(Br)cc3c(N)c2C(=O)C1 ZINC000035327882 563452552 /nfs/dbraw/zinc/45/25/52/563452552.db2.gz QFKYVWSZERMZGJ-UHFFFAOYSA-N 0 0 319.202 3.735 50 0 DHAARN O=C(CCSc1ccc(Cl)cc1)NCc1ccncc1 ZINC000037868432 563459663 /nfs/dbraw/zinc/45/96/63/563459663.db2.gz HDOKQVRSLHPWJC-UHFFFAOYSA-N 0 0 306.818 3.534 50 0 DHAARN CCOc1cc(Cl)ccc1C(=O)N(C)Cc1c(C)noc1C ZINC000097047928 563504609 /nfs/dbraw/zinc/50/46/09/563504609.db2.gz VMKMVBZTNCPDNN-UHFFFAOYSA-N 0 0 322.792 3.616 50 0 DHAARN O=C(Cc1ccc(Br)cc1)Nc1ccc(F)cc1 ZINC000000030638 563211220 /nfs/dbraw/zinc/21/12/20/563211220.db2.gz BZUWAKMGNKLQEM-UHFFFAOYSA-N 0 0 308.150 3.769 50 0 DHAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccn1 ZINC000000030147 563211224 /nfs/dbraw/zinc/21/12/24/563211224.db2.gz JONLSGHAXRDEJE-UHFFFAOYSA-N 0 0 316.404 3.920 50 0 DHAARN O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccccc1 ZINC000000049908 563211915 /nfs/dbraw/zinc/21/19/15/563211915.db2.gz GUNYXKFMFFIDBK-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN COc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000000051540 563212100 /nfs/dbraw/zinc/21/21/00/563212100.db2.gz YLSQLZJGHSIPTO-UHFFFAOYSA-N 0 0 324.405 3.974 50 0 DHAARN CC(=O)Oc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000060697 563212214 /nfs/dbraw/zinc/21/22/14/563212214.db2.gz RSNOELGOFOMMEK-UHFFFAOYSA-N 0 0 307.708 3.657 50 0 DHAARN O=C(Nc1ccc2n[nH]nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000000067985 563212719 /nfs/dbraw/zinc/21/27/19/563212719.db2.gz ZTSBQYPCVIXEIC-UHFFFAOYSA-N 0 0 307.140 3.517 50 0 DHAARN FC(F)(F)c1cccc(NC(=S)NCc2ccncc2)c1 ZINC000000079301 563213774 /nfs/dbraw/zinc/21/37/74/563213774.db2.gz JCQQTISWCKGPHY-UHFFFAOYSA-N 0 0 311.332 3.587 50 0 DHAARN C[C@@H]1CN(C(=S)Nc2cccc3ccccc32)C[C@@H](C)O1 ZINC000000079429 563213920 /nfs/dbraw/zinc/21/39/20/563213920.db2.gz LJLLROVKLGDIEZ-CHWSQXEVSA-N 0 0 300.427 3.646 50 0 DHAARN Cc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000000075825 563213965 /nfs/dbraw/zinc/21/39/65/563213965.db2.gz UPDWMMFEKWFFLL-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN Fc1ccc(-c2nc(-c3cnccc3C(F)(F)F)no2)cc1 ZINC000000077569 563214116 /nfs/dbraw/zinc/21/41/16/563214116.db2.gz UJTNBYLFIFVWPM-UHFFFAOYSA-N 0 0 309.222 3.957 50 0 DHAARN COc1cc(C=O)ccc1OCc1ccccc1Br ZINC000000088490 563215181 /nfs/dbraw/zinc/21/51/81/563215181.db2.gz PGTHMBJLCAARJA-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 biogenic DHAARN Cc1cccc(C)c1C(=O)NC(=O)Nc1c(F)cc(F)cc1F ZINC000000093020 563215880 /nfs/dbraw/zinc/21/58/80/563215880.db2.gz OYXQJNQWTCKVMS-UHFFFAOYSA-N 0 0 322.286 3.683 50 0 DHAARN CCOC(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000000097713 563216303 /nfs/dbraw/zinc/21/63/03/563216303.db2.gz AENYEFMNGXFGJB-UHFFFAOYSA-N 0 0 318.373 3.811 50 0 DHAARN CC(C)S(=O)(=O)c1cscc1NC(=O)Nc1ccccc1 ZINC000000096408 563216499 /nfs/dbraw/zinc/21/64/99/563216499.db2.gz LDFZUTFGSODEFP-UHFFFAOYSA-N 0 0 324.427 3.574 50 0 DHAARN O=C(Nc1ccc(-c2csnn2)cc1)C(Cl)(Cl)Cl ZINC000000106324 563218152 /nfs/dbraw/zinc/21/81/52/563218152.db2.gz OBNMYINJKKQQOH-UHFFFAOYSA-N 0 0 322.604 3.514 50 0 DHAARN COc1ccccc1Nc1ccc(Nc2ccccc2OC)nn1 ZINC000000106176 563218171 /nfs/dbraw/zinc/21/81/71/563218171.db2.gz TZZVUCCMDJAURB-UHFFFAOYSA-N 0 0 322.368 3.981 50 0 DHAARN O=C(Oc1ccccc1-c1nnco1)c1ccc(Cl)cc1 ZINC000000110458 563218855 /nfs/dbraw/zinc/21/88/55/563218855.db2.gz VBKIQBMQODKUNW-UHFFFAOYSA-N 0 0 300.701 3.609 50 0 DHAARN FC(F)(F)Oc1ccc(-c2nnc(-c3ccncc3)o2)cc1 ZINC000000122553 563220574 /nfs/dbraw/zinc/22/05/74/563220574.db2.gz FCNYJGLDJPQOTF-UHFFFAOYSA-N 0 0 307.231 3.697 50 0 DHAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCc1ccccc1 ZINC000000129817 563221436 /nfs/dbraw/zinc/22/14/36/563221436.db2.gz GCRYIIKGCYMCHD-AWEZNQCLSA-N 0 0 317.816 3.775 50 0 DHAARN COc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000132503 563221827 /nfs/dbraw/zinc/22/18/27/563221827.db2.gz KFDZCZDBPPHEPG-UHFFFAOYSA-N 0 0 304.777 3.708 50 0 DHAARN CC(C)OC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000137236 563223014 /nfs/dbraw/zinc/22/30/14/563223014.db2.gz OGZDAZWYLREZGK-UHFFFAOYSA-N 0 0 311.381 3.823 50 0 DHAARN Cc1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1C ZINC000000140881 563223386 /nfs/dbraw/zinc/22/33/86/563223386.db2.gz ARWLYLDIQHFWME-UHFFFAOYSA-N 0 0 307.397 3.909 50 0 DHAARN COc1cc([C@@H]2Nc3cc(Cl)ccc3O2)cc(OC)c1OC ZINC000000144675 563223982 /nfs/dbraw/zinc/22/39/82/563223982.db2.gz LGPQHYDWBIMTHO-MRXNPFEDSA-N 0 0 321.760 3.869 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)CCc3ccccc3)ccc12 ZINC000000149061 563224649 /nfs/dbraw/zinc/22/46/49/563224649.db2.gz XFVVFCBGLQPXOK-UHFFFAOYSA-N 0 0 308.333 3.640 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2ccccc2c1 ZINC000000146825 563224687 /nfs/dbraw/zinc/22/46/87/563224687.db2.gz VFPZKGNQEHWZSS-UHFFFAOYSA-N 0 0 320.348 3.890 50 0 DHAARN Cc1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000000184790 563229189 /nfs/dbraw/zinc/22/91/89/563229189.db2.gz UNAMQHUSJDGZPH-UHFFFAOYSA-N 0 0 309.390 3.857 50 0 DHAARN CCOC(=O)c1sc2nccc3c2c1ncn3-c1ccccc1 ZINC000000198584 563229744 /nfs/dbraw/zinc/22/97/44/563229744.db2.gz DUYMONVNAZERRX-UHFFFAOYSA-N 0 0 323.377 3.812 50 0 DHAARN CC(=O)c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O ZINC000000192874 563229805 /nfs/dbraw/zinc/22/98/05/563229805.db2.gz HPGFDKXGQGPAJM-UHFFFAOYSA-N 0 0 315.328 3.843 50 0 DHAARN COc1ccccc1C(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000000198619 563229817 /nfs/dbraw/zinc/22/98/17/563229817.db2.gz HHXYZCKCYNIUCH-UHFFFAOYSA-N 0 0 322.408 3.710 50 0 DHAARN CC(C)(C)c1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 ZINC000000253502 563233902 /nfs/dbraw/zinc/23/39/02/563233902.db2.gz LYLHXWKRSNKAHH-MRXNPFEDSA-N 0 0 324.424 3.774 50 0 DHAARN CC(C)Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000000270132 563234456 /nfs/dbraw/zinc/23/44/56/563234456.db2.gz XIKJCCIJQJFVTQ-UHFFFAOYSA-N 0 0 317.454 3.706 50 0 DHAARN O[C@H](COc1ccccc1)CSc1nc2ccccc2s1 ZINC000000272172 563235239 /nfs/dbraw/zinc/23/52/39/563235239.db2.gz STQYCDGGZODVKC-GFCCVEGCSA-N 0 0 317.435 3.828 50 0 DHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCc2ccccc21 ZINC000000272381 563235487 /nfs/dbraw/zinc/23/54/87/563235487.db2.gz CCGIEVLTIWWBPL-UHFFFAOYSA-N 0 0 322.191 3.962 50 0 DHAARN Oc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000000284072 563235918 /nfs/dbraw/zinc/23/59/18/563235918.db2.gz BFLXEVWHUHAZGS-UHFFFAOYSA-N 0 0 322.393 3.590 50 0 DHAARN S=C(Nc1ccccc1)N1CCCn2c3ccccc3nc21 ZINC000000289503 563236477 /nfs/dbraw/zinc/23/64/77/563236477.db2.gz KZHICQSHIDGALE-UHFFFAOYSA-N 0 0 308.410 3.643 50 0 DHAARN CC(C)c1nccn1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000297215 563237172 /nfs/dbraw/zinc/23/71/72/563237172.db2.gz QDZGXGTWFYTNRW-UHFFFAOYSA-N 0 0 319.213 3.550 50 0 DHAARN O=C1O/C(=C(\c2ccc(Cl)cc2)[N+](=O)[O-])c2ccccc21 ZINC000000295410 563237386 /nfs/dbraw/zinc/23/73/86/563237386.db2.gz VWMJCWAZDPDLFF-BUHFOSPRSA-N 0 0 301.685 3.613 50 0 DHAARN COc1ccc(NC(=O)c2ccccc2SC)cc1OC ZINC000000303552 563237792 /nfs/dbraw/zinc/23/77/92/563237792.db2.gz IIEWYNPUPVTAMH-UHFFFAOYSA-N 0 0 303.383 3.678 50 0 DHAARN O=C(c1ccc(Br)cc1)N1CCc2ccccc2C1 ZINC000000305150 563238476 /nfs/dbraw/zinc/23/84/76/563238476.db2.gz ZMDSHAIQVYLEET-UHFFFAOYSA-N 0 0 316.198 3.648 50 0 DHAARN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000000305844 563238479 /nfs/dbraw/zinc/23/84/79/563238479.db2.gz FATVVGHPRYQWTC-UHFFFAOYSA-N 0 0 310.422 3.694 50 0 DHAARN CCN(C(=O)COc1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC000000309375 563238945 /nfs/dbraw/zinc/23/89/45/563238945.db2.gz GSGIJBFTWAASJN-UHFFFAOYSA-N 0 0 313.441 3.739 50 0 DHAARN Cc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1 ZINC000000313103 563239535 /nfs/dbraw/zinc/23/95/35/563239535.db2.gz LKPYVMSYBZFGDR-UHFFFAOYSA-N 0 0 300.412 3.809 50 0 DHAARN CCCc1ccc(OCC(=O)c2ccc(O)c(C)c2O)cc1 ZINC000000314904 563240149 /nfs/dbraw/zinc/24/01/49/563240149.db2.gz UTWJMUPFYHYKQT-UHFFFAOYSA-N 0 0 300.354 3.620 50 0 DHAARN CC(=O)Nc1ccccc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000000317474 563240738 /nfs/dbraw/zinc/24/07/38/563240738.db2.gz GFDAKQNJWRFUGR-UHFFFAOYSA-N 0 0 302.761 3.859 50 0 DHAARN CN(C)C(=S)Sc1cc(Cl)nnc1-c1ccccc1 ZINC000000332080 563241407 /nfs/dbraw/zinc/24/14/07/563241407.db2.gz TUISNQXJLSYDDO-UHFFFAOYSA-N 0 0 309.847 3.736 50 0 DHAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1ccccc1 ZINC000000332926 563241419 /nfs/dbraw/zinc/24/14/19/563241419.db2.gz CIRKALJOEHGWEX-UHFFFAOYSA-N 0 0 306.148 3.790 50 0 DHAARN O=C(c1ccccc1)[C@@](O)(c1ccccc1)[C@H]1CCCCC1=O ZINC000000330250 563241447 /nfs/dbraw/zinc/24/14/47/563241447.db2.gz PXBWAWRNLQTXPA-FXAWDEMLSA-N 0 0 308.377 3.516 50 0 DHAARN c1ccc(-c2nnc3c4c5c(sc4ncn32)CCCC5)cc1 ZINC000000351577 563243171 /nfs/dbraw/zinc/24/31/71/563243171.db2.gz WPOMYHMEEYKBJP-UHFFFAOYSA-N 0 0 306.394 3.885 50 0 DHAARN Cc1cc(OCc2nc(-c3ccccn3)no2)ccc1Cl ZINC000000355395 563243921 /nfs/dbraw/zinc/24/39/21/563243921.db2.gz AUEWQCOIMYMVNQ-UHFFFAOYSA-N 0 0 301.733 3.672 50 0 DHAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Br ZINC000000364301 563245275 /nfs/dbraw/zinc/24/52/75/563245275.db2.gz SKHUAKMLMUBSJS-LLVKDONJSA-N 0 0 320.186 3.855 50 0 DHAARN Cc1ccc(C)c(OCC(=O)Nc2cccc3cccnc32)c1 ZINC000000363410 563245498 /nfs/dbraw/zinc/24/54/98/563245498.db2.gz NGASUTJOCIDUCS-UHFFFAOYSA-N 0 0 306.365 3.869 50 0 DHAARN Cc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000365382 563245899 /nfs/dbraw/zinc/24/58/99/563245899.db2.gz XEYGVSUPHVPRIA-UHFFFAOYSA-N 0 0 317.454 3.771 50 0 DHAARN CCC(C)(C)c1ccc(OCC(=O)Nc2nccs2)cc1 ZINC000000367875 563246437 /nfs/dbraw/zinc/24/64/37/563246437.db2.gz NBWAXDWBBGWLJZ-UHFFFAOYSA-N 0 0 304.415 3.848 50 0 DHAARN CCn1ccnc1[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000000372934 563246602 /nfs/dbraw/zinc/24/66/02/563246602.db2.gz LHYULZNAVFDBAZ-GOSISDBHSA-N 0 0 308.381 3.564 50 0 DHAARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000000375980 563247028 /nfs/dbraw/zinc/24/70/28/563247028.db2.gz XJRBJBNJGSQUTB-LBPRGKRZSA-N 0 0 312.350 3.926 50 0 DHAARN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(C)o2)C(=O)O1 ZINC000000382039 563247753 /nfs/dbraw/zinc/24/77/53/563247753.db2.gz IMAMAQXMPRPGSX-MDWZMJQESA-N 0 0 317.728 3.595 50 0 DHAARN CCC(=O)Oc1c2ccccc2oc(=O)c1Cc1ccccc1 ZINC000000383046 563248116 /nfs/dbraw/zinc/24/81/16/563248116.db2.gz CZSHJWAMUDLPCC-UHFFFAOYSA-N 0 0 308.333 3.699 50 0 DHAARN Fc1cccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 ZINC000000385278 563248836 /nfs/dbraw/zinc/24/88/36/563248836.db2.gz PNWUINLNMCZQFI-UHFFFAOYSA-N 0 0 310.357 3.583 50 0 DHAARN COc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000000399651 563251201 /nfs/dbraw/zinc/25/12/01/563251201.db2.gz OBUQIYGMXGZMAE-UHFFFAOYSA-N 0 0 307.733 3.968 50 0 DHAARN O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)OCCCCN12 ZINC000000398943 563251262 /nfs/dbraw/zinc/25/12/62/563251262.db2.gz SKKAEGGNARDRLN-GOSISDBHSA-N 0 0 313.784 3.807 50 0 DHAARN COc1cccc(F)c1C(=O)Nc1cccc(Br)c1 ZINC000000409506 563252055 /nfs/dbraw/zinc/25/20/55/563252055.db2.gz YWCIEMRDYZQMJF-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000000427699 563252682 /nfs/dbraw/zinc/25/26/82/563252682.db2.gz OMMQVOAXEPRMHH-AWEZNQCLSA-N 0 0 311.381 3.801 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 ZINC000000423598 563252730 /nfs/dbraw/zinc/25/27/30/563252730.db2.gz VNPPUTZKLSJHPL-UHFFFAOYSA-N 0 0 312.300 3.742 50 0 DHAARN c1ccc(COn2c3ccc4nonc4c3c3c2CCCC3)cc1 ZINC000000439846 563253931 /nfs/dbraw/zinc/25/39/31/563253931.db2.gz FUUAYYKDLVUIML-UHFFFAOYSA-N 0 0 319.364 3.685 50 0 DHAARN CCSc1nc2ccccc2n1CC(=O)Nc1ccccc1 ZINC000000452861 563256893 /nfs/dbraw/zinc/25/68/93/563256893.db2.gz FESWCCLUBIUVJK-UHFFFAOYSA-N 0 0 311.410 3.787 50 0 DHAARN O=C(NC(=S)Nc1ccccc1F)c1cc2ccccc2o1 ZINC000000455108 563257089 /nfs/dbraw/zinc/25/70/89/563257089.db2.gz AUXPUWLEGPZHSD-UHFFFAOYSA-N 0 0 314.341 3.699 50 0 DHAARN CC(=O)Oc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000000459336 563258347 /nfs/dbraw/zinc/25/83/47/563258347.db2.gz HCDFHMIIJVECAW-UHFFFAOYSA-N 0 0 323.392 3.905 50 0 DHAARN CCc1cc(C(=O)COc2ccccc2)c(OC)cc1OC ZINC000000458628 563258409 /nfs/dbraw/zinc/25/84/09/563258409.db2.gz IPEFOHYWZHVLDU-UHFFFAOYSA-N 0 0 300.354 3.528 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2o1 ZINC000000465152 563259581 /nfs/dbraw/zinc/25/95/81/563259581.db2.gz IWGIROCRRGWDRW-NEPJUHHUSA-N 0 0 304.415 3.615 50 0 DHAARN O=C(Cn1nc(C(F)F)cc1C1CC1)NCCC1=CCCCC1 ZINC000000469326 563260218 /nfs/dbraw/zinc/26/02/18/563260218.db2.gz YBHBTNYDSLXDOX-UHFFFAOYSA-N 0 0 323.387 3.705 50 0 DHAARN COc1cc(CO)c(Br)cc1OCc1ccccc1 ZINC000000470770 563260737 /nfs/dbraw/zinc/26/07/37/563260737.db2.gz QIBAIRHXPRWLHK-UHFFFAOYSA-N 0 0 323.186 3.529 50 0 DHAARN Cc1nc2ccccc2n1S(=O)(=O)c1cc(C)c(C)cc1C ZINC000000472487 563261349 /nfs/dbraw/zinc/26/13/49/563261349.db2.gz OJHAKOIJYUETKO-UHFFFAOYSA-N 0 0 314.410 3.507 50 0 DHAARN Cc1cc(Br)ccc1N1C(=O)c2ccccc2C1=O ZINC000000475294 563261655 /nfs/dbraw/zinc/26/16/55/563261655.db2.gz UXOWCYKOWZBSCI-UHFFFAOYSA-N 0 0 316.154 3.558 50 0 DHAARN COc1ccc(Nc2cccc(C(F)(F)F)c2)c(C(N)=O)c1 ZINC000000481307 563262873 /nfs/dbraw/zinc/26/28/73/563262873.db2.gz OEUZSFMWEHHQCN-UHFFFAOYSA-N 0 0 310.275 3.557 50 0 DHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccc(N(C)C)cc3)[C@@H]1[C@@H]2C ZINC000000519298 563264055 /nfs/dbraw/zinc/26/40/55/563264055.db2.gz ARHZHRUTGKCDRK-HVXNZKGKSA-N 0 0 315.457 3.651 50 0 biogenic DHAARN COc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000000545767 563265419 /nfs/dbraw/zinc/26/54/19/563265419.db2.gz WXMQDHSXXZTPEY-UHFFFAOYSA-N 0 0 322.393 3.503 50 0 DHAARN COc1ccc(NC(=S)N2N=CC[C@H]2c2ccccc2)cc1 ZINC000000540903 563265647 /nfs/dbraw/zinc/26/56/47/563265647.db2.gz XFMOPCPDSAHVTD-INIZCTEOSA-N 0 0 311.410 3.825 50 0 DHAARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000555026 563265864 /nfs/dbraw/zinc/26/58/64/563265864.db2.gz GZQIJMCSHSCYAK-GFCCVEGCSA-N 0 0 315.394 3.843 50 0 DHAARN CC(=O)Nc1ccc2nc(NC(=O)c3cccs3)sc2c1 ZINC000000613234 563269383 /nfs/dbraw/zinc/26/93/83/563269383.db2.gz MUGFDRYLKPLRIQ-UHFFFAOYSA-N 0 0 317.395 3.569 50 0 DHAARN Cc1ccc(NC(=O)CSCc2nc3ccccc3[nH]2)cc1 ZINC000000613399 563269391 /nfs/dbraw/zinc/26/93/91/563269391.db2.gz QTTWHCXJWLFUON-UHFFFAOYSA-N 0 0 311.410 3.743 50 0 DHAARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)cc1 ZINC000000612684 563269402 /nfs/dbraw/zinc/26/94/02/563269402.db2.gz RVFBQYBISBVBCS-OAHLLOKOSA-N 0 0 314.410 3.844 50 0 DHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000614016 563269407 /nfs/dbraw/zinc/26/94/07/563269407.db2.gz KNNFBEPVQKGQSV-UHFFFAOYSA-N 0 0 310.397 3.601 50 0 DHAARN CCOc1cccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc21 ZINC000000615483 563269979 /nfs/dbraw/zinc/26/99/79/563269979.db2.gz LQFXQMBEOUDGMD-UHFFFAOYSA-N 0 0 306.321 3.735 50 0 DHAARN O=C(COc1ccccc1)N(Cc1ccco1)c1ccc(O)cc1 ZINC000000617185 563270157 /nfs/dbraw/zinc/27/01/57/563270157.db2.gz CTKSYUMPHISMKX-UHFFFAOYSA-N 0 0 323.348 3.597 50 0 DHAARN Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1 ZINC000000615152 563270167 /nfs/dbraw/zinc/27/01/67/563270167.db2.gz USIHTTXTBGZRGF-UHFFFAOYSA-N 0 0 321.452 3.792 50 0 DHAARN O=C(OCc1ccc(C(=O)Oc2ccccc2)cc1)c1ccco1 ZINC000000618257 563270494 /nfs/dbraw/zinc/27/04/94/563270494.db2.gz YZEFWGYBHNXVKY-UHFFFAOYSA-N 0 0 322.316 3.856 50 0 DHAARN Cc1ccnc(SCC(=O)c2ccc(Br)cc2)n1 ZINC000000620543 563271058 /nfs/dbraw/zinc/27/10/58/563271058.db2.gz DCEROJOMVVUYJX-UHFFFAOYSA-N 0 0 323.215 3.523 50 0 DHAARN COc1ccc(C(=O)NCc2cccc3ccccc32)cc1OC ZINC000000620717 563271308 /nfs/dbraw/zinc/27/13/08/563271308.db2.gz RHTQPCNVBVFYSV-UHFFFAOYSA-N 0 0 321.376 3.787 50 0 DHAARN O=C(NCc1ccco1)c1cc(-c2ccccc2Cl)on1 ZINC000000815162 563272233 /nfs/dbraw/zinc/27/22/33/563272233.db2.gz DYGWUYFHGBDFQH-UHFFFAOYSA-N 0 0 302.717 3.518 50 0 DHAARN Cc1cc(C)n2ncc(C(=O)Nc3cccc4ccccc43)c2n1 ZINC000000820986 563272359 /nfs/dbraw/zinc/27/23/59/563272359.db2.gz JZEOYCVIVPBZMB-UHFFFAOYSA-N 0 0 316.364 3.752 50 0 DHAARN Cc1ccc(SCC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000000815468 563272516 /nfs/dbraw/zinc/27/25/16/563272516.db2.gz FRPYPHUAKAAJEL-UHFFFAOYSA-N 0 0 321.471 3.875 50 0 DHAARN Cc1ccc(N2C(=O)S[C@H](Nc3ccccc3C)C2=O)cc1 ZINC000001009513 563274567 /nfs/dbraw/zinc/27/45/67/563274567.db2.gz RYTZMIGSYJXNJI-HNNXBMFYSA-N 0 0 312.394 3.941 50 0 DHAARN O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C1CCC1 ZINC000001053844 563275791 /nfs/dbraw/zinc/27/57/91/563275791.db2.gz PGNHPTLQQRBFEG-UHFFFAOYSA-N 0 0 311.259 3.550 50 0 DHAARN CCC[C@@H](C)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 ZINC000001049244 563275880 /nfs/dbraw/zinc/27/58/80/563275880.db2.gz VMFGNASHFNBDGM-VXGBXAGGSA-N 0 0 319.430 3.848 50 0 DHAARN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F ZINC000001067238 563276391 /nfs/dbraw/zinc/27/63/91/563276391.db2.gz KUMBVCYYBDQQCD-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Cl)nc2)s1 ZINC000071883148 563277774 /nfs/dbraw/zinc/27/77/74/563277774.db2.gz IMZJGZAMPKFKBU-VIFPVBQESA-N 0 0 309.822 3.642 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 ZINC000001194530 563279201 /nfs/dbraw/zinc/27/92/01/563279201.db2.gz KFPFPGWXWYDZCR-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000001207400 563279155 /nfs/dbraw/zinc/27/91/55/563279155.db2.gz XXGOQVJLBBEBNV-UHFFFAOYSA-N 0 0 322.286 3.916 50 0 DHAARN Cc1[nH]nc2c1[C@H](c1cccs1)N(c1ccc(C)cc1)C2=O ZINC000001292412 563281073 /nfs/dbraw/zinc/28/10/73/563281073.db2.gz LDNZWAIQZGINNB-INIZCTEOSA-N 0 0 309.394 3.838 50 0 DHAARN Cc1nc2c(Br)cc(Br)cc2cc1O ZINC000001384434 563281520 /nfs/dbraw/zinc/28/15/20/563281520.db2.gz CFQPLIFZQANEHN-UHFFFAOYSA-N 0 0 316.980 3.774 50 0 DHAARN COc1ccc(NCc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000001399216 563282673 /nfs/dbraw/zinc/28/26/73/563282673.db2.gz TWCNJMKBYOKJEJ-UHFFFAOYSA-N 0 0 319.714 3.713 50 0 DHAARN O=C(CC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000001400397 563282684 /nfs/dbraw/zinc/28/26/84/563282684.db2.gz UWWFXRVMMDRCCS-UHFFFAOYSA-N 0 0 323.179 3.961 50 0 DHAARN OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc32)o1 ZINC000001492386 563284777 /nfs/dbraw/zinc/28/47/77/563284777.db2.gz OQQVFCKUDYMWGV-UHFFFAOYSA-N 0 0 304.349 3.837 50 0 in-vivo DHAARN CCN(CCOC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000001752608 563295269 /nfs/dbraw/zinc/29/52/69/563295269.db2.gz CKMSUDILXCMGMW-UHFFFAOYSA-N 0 0 302.349 3.901 50 0 DHAARN CCCOc1ccc(-c2csc(N)c2C(=O)OCC)cc1 ZINC000001777874 563295921 /nfs/dbraw/zinc/29/59/21/563295921.db2.gz ZEMVHPQRZJIAFM-UHFFFAOYSA-N 0 0 305.399 3.963 50 0 DHAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2nncs2)cc1 ZINC000001903875 563296926 /nfs/dbraw/zinc/29/69/26/563296926.db2.gz XJGHIEFDDUPEBI-UHFFFAOYSA-N 0 0 319.430 3.633 50 0 DHAARN OCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000001926863 563296939 /nfs/dbraw/zinc/29/69/39/563296939.db2.gz ZXTXFLFVIQBHAE-UHFFFAOYSA-N 0 0 307.180 3.884 50 0 DHAARN COCCC1CCN(C(=O)N[C@@H](C)c2cc(C)ccc2C)CC1 ZINC000584901587 563297392 /nfs/dbraw/zinc/29/73/92/563297392.db2.gz UBVPAFZGBBLEIE-INIZCTEOSA-N 0 0 318.461 3.823 50 0 DHAARN CCCCOC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000002070422 563298960 /nfs/dbraw/zinc/29/89/60/563298960.db2.gz OHELUWMBDIOMLC-UHFFFAOYSA-N 0 0 311.381 3.825 50 0 DHAARN CCCOC(=O)c1ccc(OC(=O)C2CCCCC2)c(OC)c1 ZINC000002069885 563299046 /nfs/dbraw/zinc/29/90/46/563299046.db2.gz UKBCQUFXXMSZFW-UHFFFAOYSA-N 0 0 320.385 3.748 50 0 DHAARN COCCSc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000002153584 563300842 /nfs/dbraw/zinc/30/08/42/563300842.db2.gz NJPBPRPWHOSBDP-UHFFFAOYSA-N 0 0 317.410 3.686 50 0 DHAARN Cc1ccccc1Cc1nnc2sc(-c3ccccc3F)nn12 ZINC000002183292 563301411 /nfs/dbraw/zinc/30/14/11/563301411.db2.gz WBAFUXVWVWWHLW-UHFFFAOYSA-N 0 0 324.384 3.891 50 0 DHAARN CCOc1ccc(C=C2SC(=S)NC2=O)cc1OCC ZINC000002536794 563308262 /nfs/dbraw/zinc/30/82/62/563308262.db2.gz ATVVOJDARQFAJF-XYOKQWHBSA-N 0 0 309.412 3.813 50 0 DHAARN C[C@H](Oc1cc(Cl)ccc1Cl)C1N=NC(=S)N1C ZINC000002536749 563308409 /nfs/dbraw/zinc/30/84/09/563308409.db2.gz XTCWJOGJUGJNQB-LURJTMIESA-N 0 0 304.202 3.551 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2OC)c1 ZINC000002532632 563308563 /nfs/dbraw/zinc/30/85/63/563308563.db2.gz JAOAKZVCHORJPT-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1N ZINC000002564242 563309178 /nfs/dbraw/zinc/30/91/78/563309178.db2.gz FTJRBQATMNGCJQ-UHFFFAOYSA-N 0 0 319.336 3.582 50 0 DHAARN Cc1cc(SCC(=O)N2CCCCC2)nc2ccccc12 ZINC000002552899 563309233 /nfs/dbraw/zinc/30/92/33/563309233.db2.gz NFACLPQJUQXDAY-UHFFFAOYSA-N 0 0 300.427 3.648 50 0 DHAARN COc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1Cl ZINC000002616537 563311351 /nfs/dbraw/zinc/31/13/51/563311351.db2.gz GIKHBEWYOHMTJG-NSHDSACASA-N 0 0 305.761 3.755 50 0 DHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000002734757 563312025 /nfs/dbraw/zinc/31/20/25/563312025.db2.gz XUAFZGXERCZURM-LBPRGKRZSA-N 0 0 319.430 3.632 50 0 DHAARN CCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 ZINC000002739229 563312083 /nfs/dbraw/zinc/31/20/83/563312083.db2.gz KCPZCWVTJBSBGN-UHFFFAOYSA-N 0 0 301.342 3.797 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)nc1 ZINC000002755584 563312265 /nfs/dbraw/zinc/31/22/65/563312265.db2.gz TXQVSGHMHOVSFY-GFCCVEGCSA-N 0 0 304.777 3.758 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1 ZINC000002792762 563313472 /nfs/dbraw/zinc/31/34/72/563313472.db2.gz FITDMPCRAXRXQF-UHFFFAOYSA-N 0 0 300.264 3.872 50 0 DHAARN CCOC(=O)c1cccc(NC(=O)Nc2cccc(F)c2)c1 ZINC000002857280 563314875 /nfs/dbraw/zinc/31/48/75/563314875.db2.gz KAASGUOHWNOPFL-UHFFFAOYSA-N 0 0 302.305 3.646 50 0 DHAARN COCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002852242 563314889 /nfs/dbraw/zinc/31/48/89/563314889.db2.gz HWAHLYVSJRIDMW-KRWDZBQOSA-N 0 0 315.438 3.673 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(F)ccc1F ZINC000002869001 563315573 /nfs/dbraw/zinc/31/55/73/563315573.db2.gz UWZZXQJAVOKEPG-UHFFFAOYSA-N 0 0 311.715 3.944 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000002874805 563316130 /nfs/dbraw/zinc/31/61/30/563316130.db2.gz KJABGAFCPHYWTF-OAHLLOKOSA-N 0 0 323.436 3.994 50 0 DHAARN COc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000002876553 563316240 /nfs/dbraw/zinc/31/62/40/563316240.db2.gz PYZFKTDZJNIDTM-UHFFFAOYSA-N 0 0 324.405 3.995 50 0 DHAARN O=C(NCCSCc1ccco1)Nc1cccc(Cl)c1 ZINC000002875494 563316281 /nfs/dbraw/zinc/31/62/81/563316281.db2.gz VYUGKFHTTXIXGB-UHFFFAOYSA-N 0 0 310.806 3.988 50 0 DHAARN CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000002884701 563316684 /nfs/dbraw/zinc/31/66/84/563316684.db2.gz AIGWJEPLVFSDFZ-UHFFFAOYSA-N 0 0 305.230 3.853 50 0 DHAARN CC(C)OC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1 ZINC000002983170 563318934 /nfs/dbraw/zinc/31/89/34/563318934.db2.gz AFNRBEUNLSPZJF-UHFFFAOYSA-N 0 0 301.386 3.586 50 0 DHAARN COc1cc(C)ccc1OCCOCCOc1ccc(F)cc1 ZINC000002985504 563319288 /nfs/dbraw/zinc/31/92/88/563319288.db2.gz ILGSVPDNPGRZBM-UHFFFAOYSA-N 0 0 320.360 3.617 50 0 DHAARN O=C(CCSCc1cccc(F)c1)NCc1ccccc1 ZINC000003031642 563321340 /nfs/dbraw/zinc/32/13/40/563321340.db2.gz NUSNEAANAJVXLQ-UHFFFAOYSA-N 0 0 303.402 3.765 50 0 DHAARN CSc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000003017519 563321398 /nfs/dbraw/zinc/32/13/98/563321398.db2.gz IXILTLIVLYHJBV-UHFFFAOYSA-N 0 0 300.383 3.619 50 0 DHAARN Cn1ccnc1SCc1nccn1Cc1ccc(Cl)cc1 ZINC000003127049 563322588 /nfs/dbraw/zinc/32/25/88/563322588.db2.gz TVOUKZRXMHAVLD-UHFFFAOYSA-N 0 0 318.833 3.611 50 0 DHAARN CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccccc1 ZINC000034907312 563324373 /nfs/dbraw/zinc/32/43/73/563324373.db2.gz IYEPONSSBQOVJC-UHFFFAOYSA-N 0 0 311.410 3.677 50 0 DHAARN O=C(Nc1ccn(-c2cccc(Cl)c2)n1)c1ccccc1F ZINC000034907479 563324473 /nfs/dbraw/zinc/32/44/73/563324473.db2.gz AXAHZRXRRLBXHK-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN COc1cccc(-c2n[nH]c(C)c2NC(=O)c2cccs2)c1 ZINC000034796086 563324588 /nfs/dbraw/zinc/32/45/88/563324588.db2.gz ZDMFLWXBXMAIAF-UHFFFAOYSA-N 0 0 313.382 3.708 50 0 DHAARN CC[C@@H](C)C(=O)N1CCC(n2c(C)nc3ccc(C)cc32)CC1 ZINC000034915434 563325321 /nfs/dbraw/zinc/32/53/21/563325321.db2.gz QOPIGDNNSRLTOU-CQSZACIVSA-N 0 0 313.445 3.863 50 0 DHAARN O=C(c1cc(-c2ccc(O)cc2)on1)N1CCCc2ccccc21 ZINC000003907744 563326217 /nfs/dbraw/zinc/32/62/17/563326217.db2.gz ZSGQAIHSLREKGR-UHFFFAOYSA-N 0 0 320.348 3.640 50 0 DHAARN CC(C)N1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O ZINC000004854399 563328048 /nfs/dbraw/zinc/32/80/48/563328048.db2.gz BZIGEUKBNJDXRJ-UHFFFAOYSA-N 0 0 322.408 3.835 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)C(C)(C)C)c(Cl)c1 ZINC000071902339 563331065 /nfs/dbraw/zinc/33/10/65/563331065.db2.gz BRFXJGPXCQDFOF-VIFPVBQESA-N 0 0 311.813 3.855 50 0 DHAARN CC(=O)[C@H](C)Sc1cc(C)nc2c(-c3ccccc3)cnn21 ZINC000002336507 563331650 /nfs/dbraw/zinc/33/16/50/563331650.db2.gz KOCWVEQLLQYBRN-ZDUSSCGKSA-N 0 0 311.410 3.774 50 0 DHAARN CCSc1nnc(NC(=O)c2ccc(F)cc2Cl)s1 ZINC000006232392 563331662 /nfs/dbraw/zinc/33/16/62/563331662.db2.gz AAAVWUSVWRFXJI-UHFFFAOYSA-N 0 0 317.798 3.695 50 0 DHAARN CC[C@H]1C[C@H]1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000071908200 563332709 /nfs/dbraw/zinc/33/27/09/563332709.db2.gz SGJXELGYECNKNN-SMDDNHRTSA-N 0 0 318.804 3.842 50 0 DHAARN Cc1ccc(C(=O)CCNc2ccc(N3CCOCC3)cc2)cc1 ZINC000006849124 563334766 /nfs/dbraw/zinc/33/47/66/563334766.db2.gz FJVBMSBAZRNKSN-UHFFFAOYSA-N 0 0 324.424 3.517 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccccc1Cl ZINC000002639438 563336598 /nfs/dbraw/zinc/33/65/98/563336598.db2.gz UVUKPXZDDUJVEL-AWEZNQCLSA-N 0 0 317.816 3.856 50 0 DHAARN O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccccc1 ZINC000002641582 563337257 /nfs/dbraw/zinc/33/72/57/563337257.db2.gz NXYRRIJARLPNNH-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1cccc(F)c1 ZINC000002713225 563338507 /nfs/dbraw/zinc/33/85/07/563338507.db2.gz KLFSYZPKNJYTKE-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccc(C)cc1 ZINC000002715809 563339667 /nfs/dbraw/zinc/33/96/67/563339667.db2.gz VLEGMDCUZMTFIV-UHFFFAOYSA-N 0 0 320.396 3.753 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)cc1C ZINC000007616296 563340127 /nfs/dbraw/zinc/34/01/27/563340127.db2.gz BJHNVWAHFBTFKT-LBPRGKRZSA-N 0 0 321.808 3.752 50 0 DHAARN COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1OC ZINC000007669000 563340644 /nfs/dbraw/zinc/34/06/44/563340644.db2.gz HBGKFJZZOMCTDC-UHFFFAOYSA-N 0 0 315.369 3.743 50 0 DHAARN Cc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000007720202 563341417 /nfs/dbraw/zinc/34/14/17/563341417.db2.gz IGCRWYMQRUHRAL-UHFFFAOYSA-N 0 0 321.380 3.626 50 0 DHAARN COc1cc(NC(=O)c2ccc(C)cc2)ccc1OC(F)F ZINC000002795586 563342661 /nfs/dbraw/zinc/34/26/61/563342661.db2.gz VVAVFIWDFHNAPA-UHFFFAOYSA-N 0 0 307.296 3.857 50 0 DHAARN COC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc21 ZINC000002777338 563342819 /nfs/dbraw/zinc/34/28/19/563342819.db2.gz MNBSEDWKDXHVBY-UHFFFAOYSA-N 0 0 323.348 3.706 50 0 DHAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000008160411 563344757 /nfs/dbraw/zinc/34/47/57/563344757.db2.gz SMEZNFDVAAZSLK-KRWDZBQOSA-N 0 0 315.344 3.636 50 0 DHAARN CC(C)Cn1nccc1NC(=O)c1cccc(Br)c1 ZINC000014139839 563397084 /nfs/dbraw/zinc/39/70/84/563397084.db2.gz IQYFFGWEAQLLFV-UHFFFAOYSA-N 0 0 322.206 3.554 50 0 DHAARN COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000008723128 563349894 /nfs/dbraw/zinc/34/98/94/563349894.db2.gz GCYQGPIVCDNBBJ-UHFFFAOYSA-N 0 0 305.761 3.618 50 0 DHAARN Cc1cc(C)nc(N(C)Cc2cc(Br)cs2)n1 ZINC000097476286 563350449 /nfs/dbraw/zinc/35/04/49/563350449.db2.gz FQZGLJDKUIKIHD-UHFFFAOYSA-N 0 0 312.236 3.554 50 0 DHAARN Cc1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000008871650 563350414 /nfs/dbraw/zinc/35/04/14/563350414.db2.gz KRJUHUSHCGJTSC-UHFFFAOYSA-N 0 0 301.198 3.677 50 0 DHAARN CSc1nccc(CC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000008855249 563350812 /nfs/dbraw/zinc/35/08/12/563350812.db2.gz DXWVQCGXUJJIBZ-UHFFFAOYSA-N 0 0 312.316 3.643 50 0 DHAARN O=C1C[C@@H](c2ccc(F)cc2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000009013522 563351626 /nfs/dbraw/zinc/35/16/26/563351626.db2.gz LYDHDQVSQMZCRZ-AWEZNQCLSA-N 0 0 307.328 3.690 50 0 DHAARN O=C(NC1CCCC1)[C@@H](Sc1ccccn1)c1ccccc1 ZINC000009096359 563352070 /nfs/dbraw/zinc/35/20/70/563352070.db2.gz PTUNAPGJWNUUPF-KRWDZBQOSA-N 0 0 312.438 3.974 50 0 DHAARN O=C(C[C@H]1CCCO1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000055392061 563353842 /nfs/dbraw/zinc/35/38/42/563353842.db2.gz UIPNAFJEBWATNA-GOSISDBHSA-N 0 0 322.408 3.888 50 0 DHAARN O=C(N1CCC(c2nc3ccccc3s2)CC1)C(F)(F)F ZINC000032553637 563355150 /nfs/dbraw/zinc/35/51/50/563355150.db2.gz MBPSULIQGOZMKQ-UHFFFAOYSA-N 0 0 314.332 3.565 50 0 DHAARN CCOc1ccc(CNC(=O)c2ccccc2SC)cc1 ZINC000010448533 563356799 /nfs/dbraw/zinc/35/67/99/563356799.db2.gz NHFYKDDENHNXIP-UHFFFAOYSA-N 0 0 301.411 3.737 50 0 DHAARN CCCCCOc1ccc(S(=O)(=O)NCC)c2ccccc12 ZINC000011614158 563358374 /nfs/dbraw/zinc/35/83/74/563358374.db2.gz XJDIFHHGCPLCJT-UHFFFAOYSA-N 0 0 321.442 3.707 50 0 DHAARN CC1(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000011842973 563360125 /nfs/dbraw/zinc/36/01/25/563360125.db2.gz LKRJAERJKRMRGN-CQSZACIVSA-N 0 0 307.384 3.936 50 0 DHAARN CCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012025186 563360770 /nfs/dbraw/zinc/36/07/70/563360770.db2.gz JTVJLTLBQIZQKV-KRWDZBQOSA-N 0 0 311.429 3.783 50 0 DHAARN Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)C(C)(C)C)C2 ZINC000011966537 563361017 /nfs/dbraw/zinc/36/10/17/563361017.db2.gz UOARVDIQGYIYPW-OAHLLOKOSA-N 0 0 324.424 3.523 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)NC2CCCCC2)c1 ZINC000012138852 563362504 /nfs/dbraw/zinc/36/25/04/563362504.db2.gz HMRVOGCEPGVJQS-ZDUSSCGKSA-N 0 0 317.433 3.669 50 0 DHAARN CC(C)(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000012138635 563362522 /nfs/dbraw/zinc/36/25/22/563362522.db2.gz UFJLIVRNPPWEBF-UHFFFAOYSA-N 0 0 311.385 3.859 50 0 DHAARN CCCN(CCC)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012138534 563362528 /nfs/dbraw/zinc/36/25/28/563362528.db2.gz DMRWUJVIIKZQOI-UHFFFAOYSA-N 0 0 304.434 3.933 50 0 DHAARN C[C@H](NC(=O)CSc1nncc2ccccc21)c1ccccc1 ZINC000012139000 563362540 /nfs/dbraw/zinc/36/25/40/563362540.db2.gz BIFCKOIMDPKMKF-ZDUSSCGKSA-N 0 0 323.421 3.599 50 0 DHAARN CC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012123819 563362647 /nfs/dbraw/zinc/36/26/47/563362647.db2.gz CNFGOPBOHJBHLO-ZDUSSCGKSA-N 0 0 307.802 3.508 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000012138619 563362672 /nfs/dbraw/zinc/36/26/72/563362672.db2.gz CPISWIJYXDUXFK-ZDUSSCGKSA-N 0 0 311.385 3.859 50 0 DHAARN O=C(Nc1ccc2ncsc2c1)c1cccc2nsnc21 ZINC000012340956 563366490 /nfs/dbraw/zinc/36/64/90/563366490.db2.gz NHPGPWFZQUPJPU-UHFFFAOYSA-N 0 0 312.379 3.553 50 0 DHAARN O=C(Nc1ccc2nsnc2c1)Nc1ccccc1Cl ZINC000012340904 563366563 /nfs/dbraw/zinc/36/65/63/563366563.db2.gz SDCVOQWLMBIVBI-UHFFFAOYSA-N 0 0 304.762 3.989 50 0 DHAARN CCOC(=O)c1c(C)nn(-c2c(Cl)cccc2Cl)c1C ZINC000012336352 563366569 /nfs/dbraw/zinc/36/65/69/563366569.db2.gz MICGKQTZVXSCDN-UHFFFAOYSA-N 0 0 313.184 3.973 50 0 DHAARN COc1cccc2c(NC(=O)COc3ccccc3)cc(C)nc12 ZINC000012321847 563366588 /nfs/dbraw/zinc/36/65/88/563366588.db2.gz DQTPHASKSFWWCY-UHFFFAOYSA-N 0 0 322.364 3.569 50 0 DHAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000012404276 563368272 /nfs/dbraw/zinc/36/82/72/563368272.db2.gz HTIKSXAJMVSYPM-LLVKDONJSA-N 0 0 302.399 3.529 50 0 DHAARN COc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000012402881 563368567 /nfs/dbraw/zinc/36/85/67/563368567.db2.gz MXYYHEJTMJMGSX-UHFFFAOYSA-N 0 0 312.394 3.539 50 0 DHAARN Cn1c(CSc2nncc3ccccc32)nc2ccccc21 ZINC000012428123 563368770 /nfs/dbraw/zinc/36/87/70/563368770.db2.gz WHHJLPOJPRYBIN-UHFFFAOYSA-N 0 0 306.394 3.809 50 0 DHAARN CCCOc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000012406077 563368889 /nfs/dbraw/zinc/36/88/89/563368889.db2.gz VWVHUHOVELTSCB-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2ccsc21 ZINC000012411308 563369108 /nfs/dbraw/zinc/36/91/08/563369108.db2.gz DPEZIVKUYLCPFZ-LLVKDONJSA-N 0 0 303.383 3.630 50 0 DHAARN CCc1cnc(-c2ccccc2C(=O)N(C(C)C)C(C)C)nc1 ZINC000032587096 563370978 /nfs/dbraw/zinc/37/09/78/563370978.db2.gz BJFOYBVPBTYOBE-UHFFFAOYSA-N 0 0 311.429 3.965 50 0 DHAARN CSCCC(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000012580628 563371298 /nfs/dbraw/zinc/37/12/98/563371298.db2.gz LROATAIELONTON-OAHLLOKOSA-N 0 0 309.450 3.750 50 0 DHAARN O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)C1CCCC1 ZINC000012703482 563372452 /nfs/dbraw/zinc/37/24/52/563372452.db2.gz RGLCFUPJIUVVAV-SFHVURJKSA-N 0 0 321.424 3.827 50 0 DHAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000012717033 563372916 /nfs/dbraw/zinc/37/29/16/563372916.db2.gz SONOMKPTJOBKNY-QGZVFWFLSA-N 0 0 308.425 3.875 50 0 DHAARN O=C(NC1CCC1)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000012714520 563373135 /nfs/dbraw/zinc/37/31/35/563373135.db2.gz VOIZUZVCQHYEET-UHFFFAOYSA-N 0 0 324.355 3.840 50 0 DHAARN O=C(c1cccnc1)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000012715994 563373231 /nfs/dbraw/zinc/37/32/31/563373231.db2.gz PUQXFZZOJKMQHJ-MRXNPFEDSA-N 0 0 312.388 3.706 50 0 DHAARN CCN(Cc1nonc1C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000032648036 563374392 /nfs/dbraw/zinc/37/43/92/563374392.db2.gz BDCRRTOGINWRSY-UHFFFAOYSA-N 0 0 302.378 3.555 50 0 DHAARN C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1 ZINC000012938894 563375165 /nfs/dbraw/zinc/37/51/65/563375165.db2.gz NAHUOMXFOGTLLB-WFASDCNBSA-N 0 0 315.800 3.769 50 0 DHAARN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000012927350 563375175 /nfs/dbraw/zinc/37/51/75/563375175.db2.gz ZVFLJABHMSCUMY-CYBMUJFWSA-N 0 0 308.381 3.526 50 0 DHAARN Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1C ZINC000012939717 563375511 /nfs/dbraw/zinc/37/55/11/563375511.db2.gz WFHXPVXAIVMAOI-UHFFFAOYSA-N 0 0 311.381 3.646 50 0 DHAARN C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1 ZINC000012938887 563375600 /nfs/dbraw/zinc/37/56/00/563375600.db2.gz NAHUOMXFOGTLLB-DOMZBBRYSA-N 0 0 315.800 3.769 50 0 DHAARN COc1cccc(CNC(=O)Cc2ccc3ccccc3c2)c1 ZINC000012974717 563376077 /nfs/dbraw/zinc/37/60/77/563376077.db2.gz BOFIJDZRRJFSIL-UHFFFAOYSA-N 0 0 305.377 3.707 50 0 DHAARN CCc1ccc(-n2c3[nH]c(=S)[nH]c(=O)c3sc2=S)cc1 ZINC000012966671 563376274 /nfs/dbraw/zinc/37/62/74/563376274.db2.gz AMIIEVLVAJBSLE-UHFFFAOYSA-N 0 0 321.452 3.730 50 0 DHAARN CC(C)n1ncc2cc(NC(=O)c3cc(F)cc(F)c3)cnc21 ZINC000013000664 563376469 /nfs/dbraw/zinc/37/64/69/563376469.db2.gz GRQDZZBGOJXBMJ-UHFFFAOYSA-N 0 0 316.311 3.543 50 0 DHAARN C[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccc(F)cc1 ZINC000032680945 563376512 /nfs/dbraw/zinc/37/65/12/563376512.db2.gz AJZUSQPQUZJHLL-KBPBESRZSA-N 0 0 301.361 3.608 50 0 DHAARN Cc1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 ZINC000012993948 563376581 /nfs/dbraw/zinc/37/65/81/563376581.db2.gz PQMVBXKCGMCPEY-HXUWFJFHSA-N 0 0 322.452 3.755 50 0 DHAARN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013056680 563377167 /nfs/dbraw/zinc/37/71/67/563377167.db2.gz 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/nfs/dbraw/zinc/37/89/59/563378959.db2.gz FKGAZANKFJFJLQ-MSOLQXFVSA-N 0 0 320.396 3.741 50 0 aggregator DHAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2ncnn21 ZINC000013127537 563379043 /nfs/dbraw/zinc/37/90/43/563379043.db2.gz NHQDZHCDOHTKCQ-JKSUJKDBSA-N 0 0 324.359 3.572 50 0 DHAARN CC(C)(C)OC(=O)N1CCC(c2ccc3c(n2)NCCC3)CC1 ZINC000038355897 563379239 /nfs/dbraw/zinc/37/92/39/563379239.db2.gz ZVYMXHCYHZCTNG-UHFFFAOYSA-N 0 0 317.433 3.554 50 0 DHAARN O=C(NCc1ccccn1)c1ccc(OCc2ccccc2)cc1 ZINC000013200953 563379338 /nfs/dbraw/zinc/37/93/38/563379338.db2.gz MEEOTDXSAIDUFC-UHFFFAOYSA-N 0 0 318.376 3.591 50 0 DHAARN Cc1cnc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)s1 ZINC000013325981 563380660 /nfs/dbraw/zinc/38/06/60/563380660.db2.gz KOESORTVCQCVKT-JTQLQIEISA-N 0 0 310.806 3.819 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1ccccc1Br ZINC000013325627 563380762 /nfs/dbraw/zinc/38/07/62/563380762.db2.gz WCISLCLWBMVKPJ-UHFFFAOYSA-N 0 0 309.163 3.560 50 0 DHAARN C[C@H]1CCCN(C(=O)c2cc(Br)ccc2Cl)C1 ZINC000013331841 563381173 /nfs/dbraw/zinc/38/11/73/563381173.db2.gz OLAJGQOGYKVWRL-VIFPVBQESA-N 0 0 316.626 3.975 50 0 DHAARN Cc1cnc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)s1 ZINC000013330257 563381214 /nfs/dbraw/zinc/38/12/14/563381214.db2.gz CWHNFWBKZMKWNA-LBPRGKRZSA-N 0 0 304.415 3.981 50 0 DHAARN CCSCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000013469443 563381855 /nfs/dbraw/zinc/38/18/55/563381855.db2.gz DXLLCFGZOSNQHT-UHFFFAOYSA-N 0 0 314.332 3.709 50 0 DHAARN COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccsc2)c1 ZINC000032722368 563384695 /nfs/dbraw/zinc/38/46/95/563384695.db2.gz CYKMKVFVOFRTHR-UHFFFAOYSA-N 0 0 323.801 3.759 50 0 DHAARN CC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1 ZINC000013661651 563384995 /nfs/dbraw/zinc/38/49/95/563384995.db2.gz IGIKEBQUAYICND-UHFFFAOYSA-N 0 0 320.392 3.698 50 0 DHAARN Cc1nc2ccc(C(=O)N(C)Cc3ccsc3)cc2nc1C ZINC000032741287 563388725 /nfs/dbraw/zinc/38/87/25/563388725.db2.gz UNRLVBXMDOXSNC-UHFFFAOYSA-N 0 0 311.410 3.580 50 0 DHAARN Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)c(C)n1C1CC1 ZINC000032738192 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/nfs/dbraw/zinc/43/31/98/563433198.db2.gz JTESQVJDYTXURZ-OFAQMXQXSA-N 0 0 312.438 3.780 50 0 DHAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000029247805 563433525 /nfs/dbraw/zinc/43/35/25/563433525.db2.gz RDDORCPYEHUHOC-NSHDSACASA-N 0 0 308.303 3.900 50 0 DHAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ncccc1C ZINC000029192923 563433831 /nfs/dbraw/zinc/43/38/31/563433831.db2.gz UVTZYVDRXQSGQM-UHFFFAOYSA-N 0 0 307.353 3.535 50 0 DHAARN Cc1ccc(OCC(=O)Nc2ccccc2)c2c1[C@H](C)CC2=O ZINC000011052448 563435491 /nfs/dbraw/zinc/43/54/91/563435491.db2.gz WBBXVZRAEIFYRU-CYBMUJFWSA-N 0 0 309.365 3.702 50 0 DHAARN CN(Cc1noc(C2CCC2)n1)Cc1c(F)cccc1Cl ZINC000625057910 563435832 /nfs/dbraw/zinc/43/58/32/563435832.db2.gz FQUPRWFRVFBYQZ-UHFFFAOYSA-N 0 0 309.772 3.762 50 0 DHAARN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc2cc[nH]c2c1 ZINC000072292256 563437522 /nfs/dbraw/zinc/43/75/22/563437522.db2.gz HIJYVBBGYCBDJQ-KRWDZBQOSA-N 0 0 322.364 3.588 50 0 DHAARN Cc1ccccc1CN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000030645422 563437631 /nfs/dbraw/zinc/43/76/31/563437631.db2.gz WSYIJOHOAYLYLO-GOSISDBHSA-N 0 0 309.388 3.747 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(C)c(NC(=O)C3CC3)c2)c1 ZINC000030830953 563438777 /nfs/dbraw/zinc/43/87/77/563438777.db2.gz VHDSCUJSCXVPCF-UHFFFAOYSA-N 0 0 308.381 3.904 50 0 DHAARN CC[C@H](C)C(=O)NCCCC1(C2OCCO2)CCCCCC1 ZINC000072301406 563440774 /nfs/dbraw/zinc/44/07/74/563440774.db2.gz SEUNPFHPRHLBBC-HNNXBMFYSA-N 0 0 311.466 3.642 50 0 DHAARN Nc1nc2c(s1)[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000032092990 563441066 /nfs/dbraw/zinc/44/10/66/563441066.db2.gz LSKMROFRPHRCMJ-RXMQYKEDSA-N 0 0 314.197 3.506 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)c1noc2c1CCCCC2 ZINC000032093584 563441161 /nfs/dbraw/zinc/44/11/61/563441161.db2.gz GPIAOYVBIWMGMG-AWEZNQCLSA-N 0 0 312.413 3.695 50 0 DHAARN COc1cccc2ccn(CC(=O)N[C@@H](C)c3ccccc3)c21 ZINC000032087421 563441471 /nfs/dbraw/zinc/44/14/71/563441471.db2.gz OXGRNGFFEFAQDE-AWEZNQCLSA-N 0 0 308.381 3.527 50 0 DHAARN CC(=O)c1ccc(NC(=O)Cn2ccc3ccc(F)cc32)cc1 ZINC000032105441 563441852 /nfs/dbraw/zinc/44/18/52/563441852.db2.gz YWRZJOPTWHVEKM-UHFFFAOYSA-N 0 0 310.328 3.622 50 0 DHAARN Cc1cccc(C[C@@H](C)n2cnc3c(C)c(C)ccc3c2=O)n1 ZINC000032587387 563442389 /nfs/dbraw/zinc/44/23/89/563442389.db2.gz ZGVKDFCNGQDOES-CQSZACIVSA-N 0 0 307.397 3.520 50 0 DHAARN Cc1nn(C)c(C)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000032540683 563442500 /nfs/dbraw/zinc/44/25/00/563442500.db2.gz QPAIUBSKEFQFMG-UHFFFAOYSA-N 0 0 315.436 3.631 50 0 DHAARN COC(=O)c1c(C=O)c2ccc(C)cc2n1Cc1ccccc1 ZINC000032917057 563443173 /nfs/dbraw/zinc/44/31/73/563443173.db2.gz GXFMPKDCWMUJTO-UHFFFAOYSA-N 0 0 307.349 3.597 50 0 DHAARN COc1ccc(-c2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000032627834 563443192 /nfs/dbraw/zinc/44/31/92/563443192.db2.gz QCYVXIPMNXAJLB-UHFFFAOYSA-N 0 0 324.405 3.749 50 0 DHAARN Cc1noc(C(F)(F)F)c1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000072308016 563445759 /nfs/dbraw/zinc/44/57/59/563445759.db2.gz LVXGETDQQKLZTD-OYNCUSHFSA-N 0 0 304.312 3.556 50 0 DHAARN CCCCC(=O)Nc1ccc2nc(NC(=O)CC)sc2c1 ZINC000032961206 563446365 /nfs/dbraw/zinc/44/63/65/563446365.db2.gz CEMDXTVJYUNTPX-UHFFFAOYSA-N 0 0 305.403 3.774 50 0 DHAARN COc1ccc(NC(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000000205587 563447003 /nfs/dbraw/zinc/44/70/03/563447003.db2.gz ZTRMVJPPXCQOEA-QGZVFWFLSA-N 0 0 311.385 3.849 50 0 biogenic DHAARN CN(C(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000001049641 563448330 /nfs/dbraw/zinc/44/83/30/563448330.db2.gz SMGFONHDSCMGHG-UHFFFAOYSA-N 0 0 320.348 3.809 50 0 DHAARN CCCCCC[C@H]1[NH2+][C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000002097695 563448364 /nfs/dbraw/zinc/44/83/64/563448364.db2.gz YKZYZRBKXDEHFI-CVEARBPZSA-N 0 0 300.402 3.778 50 0 biogenic DHAARN C[C@@H](Cc1ccncc1)OC(=O)Cc1csc(C(C)(C)C)n1 ZINC000072310818 563448802 /nfs/dbraw/zinc/44/88/02/563448802.db2.gz FLXFLDDCCDSLPQ-LBPRGKRZSA-N 0 0 318.442 3.553 50 0 DHAARN Cc1cc(C)c2c(N)c([S@](=O)c3ccccc3)sc2n1 ZINC000005126361 563450393 /nfs/dbraw/zinc/45/03/93/563450393.db2.gz DTXCSSXQVACJOR-FQEVSTJZSA-N 0 0 302.424 3.662 50 0 DHAARN O=C(CSCc1nc2ccccc2s1)NC1CCCCC1 ZINC000011101976 563451247 /nfs/dbraw/zinc/45/12/47/563451247.db2.gz BOZPOTSQZSVPQO-UHFFFAOYSA-N 0 0 320.483 3.978 50 0 DHAARN Cc1nc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)no1 ZINC000032971405 563453912 /nfs/dbraw/zinc/45/39/12/563453912.db2.gz MNGSQOYBELHGGB-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN O=C(Nc1ccc2[nH]ccc2c1)c1snnc1-c1ccccc1 ZINC000036359041 563454835 /nfs/dbraw/zinc/45/48/35/563454835.db2.gz UYGAESMFSDUMHP-UHFFFAOYSA-N 0 0 320.377 3.939 50 0 DHAARN Cc1c(NC(=O)NC2CCCCC2)cccc1NC(=O)C1CC1 ZINC000036567668 563455343 /nfs/dbraw/zinc/45/53/43/563455343.db2.gz HSWFNNASVULUPK-UHFFFAOYSA-N 0 0 315.417 3.798 50 0 DHAARN CO[C@@H](CNC(=O)c1ccc(Cl)s1)c1ccsc1 ZINC000096097379 563457084 /nfs/dbraw/zinc/45/70/84/563457084.db2.gz BPIQIARYPAVTKS-VIFPVBQESA-N 0 0 301.820 3.581 50 0 DHAARN COc1cccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)c1OC ZINC000032983401 563457818 /nfs/dbraw/zinc/45/78/18/563457818.db2.gz PKJBAPRZRLJVAM-AWEZNQCLSA-N 0 0 313.397 3.812 50 0 DHAARN COc1cc(OC)cc(C(=O)c2ccc(Br)cc2)c1 ZINC000037358028 563458202 /nfs/dbraw/zinc/45/82/02/563458202.db2.gz VSQFZACRBGACFS-UHFFFAOYSA-N 0 0 321.170 3.697 50 0 DHAARN CC(=O)c1cc2c(cc1NC(=O)CCC1CCCCC1)OCO2 ZINC000032994770 563458496 /nfs/dbraw/zinc/45/84/96/563458496.db2.gz JEJTUKBBRJQINZ-UHFFFAOYSA-N 0 0 317.385 3.917 50 0 DHAARN CC(=O)Nc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000032996082 563459151 /nfs/dbraw/zinc/45/91/51/563459151.db2.gz DWWJKCQGNYMXGT-UHFFFAOYSA-N 0 0 313.397 3.767 50 0 DHAARN O=C(c1ccc(Br)o1)N1CCSc2ccccc21 ZINC000032997901 563459936 /nfs/dbraw/zinc/45/99/36/563459936.db2.gz CZPOTRCXXVJNEC-UHFFFAOYSA-N 0 0 324.199 3.795 50 0 DHAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1c[nH]c2ncccc12 ZINC000097938491 563460573 /nfs/dbraw/zinc/46/05/73/563460573.db2.gz LGJBTIVOJVYSJU-UHFFFAOYSA-N 0 0 319.286 3.512 50 0 DHAARN CCOc1ccc([C@@H](C)NC(=O)c2cn3cccc(C)c3n2)cc1 ZINC000097939100 563460996 /nfs/dbraw/zinc/46/09/96/563460996.db2.gz VKMOFYXHAFFNCI-CQSZACIVSA-N 0 0 323.396 3.532 50 0 DHAARN CCNc1ncccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000033004408 563461455 /nfs/dbraw/zinc/46/14/55/563461455.db2.gz KVMJHDVCKZXRCJ-UHFFFAOYSA-N 0 0 300.749 3.884 50 0 DHAARN Cc1cc(N2CCc3ccccc3C2)ncc1Br ZINC000042783507 563461512 /nfs/dbraw/zinc/46/15/12/563461512.db2.gz XWZZHOFOLNZRTH-UHFFFAOYSA-N 0 0 303.203 3.715 50 0 DHAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(C)=O)c2ccccc21 ZINC000004591651 563461549 /nfs/dbraw/zinc/46/15/49/563461549.db2.gz BXWTYBDFRSRDAC-XOBRGWDASA-N 0 0 322.408 3.926 50 0 DHAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2cccc(F)c2)s1 ZINC000071883178 563465239 /nfs/dbraw/zinc/46/52/39/563465239.db2.gz YNMFMYPZWNREGB-LLVKDONJSA-N 0 0 306.406 3.661 50 0 DHAARN CCn1nc(C)c(C(=O)Nc2ccc(OC(C)C)cc2C)c1C ZINC000071882685 563465629 /nfs/dbraw/zinc/46/56/29/563465629.db2.gz TXPARVZIFFRYLW-UHFFFAOYSA-N 0 0 315.417 3.868 50 0 DHAARN CCc1ccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1 ZINC000046141126 563465788 /nfs/dbraw/zinc/46/57/88/563465788.db2.gz OBOLSPBJZBCHDM-UHFFFAOYSA-N 0 0 324.380 3.990 50 0 DHAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CC(=O)Nc2ccccc21 ZINC000033028757 563468131 /nfs/dbraw/zinc/46/81/31/563468131.db2.gz CNMVELCQPXQENL-UHFFFAOYSA-N 0 0 324.424 3.578 50 0 DHAARN CC(C)Oc1nnc(SC[C@H]2OCCc3ccccc32)s1 ZINC000071908494 563469054 /nfs/dbraw/zinc/46/90/54/563469054.db2.gz JFCQUYPOCHWGMU-CYBMUJFWSA-N 0 0 322.455 3.731 50 0 DHAARN CCOc1ccc(SCc2nc([C@H](C)OCC)no2)cc1 ZINC000071909260 563469074 /nfs/dbraw/zinc/46/90/74/563469074.db2.gz GOGSBQKRWCYOSW-NSHDSACASA-N 0 0 308.403 3.858 50 0 DHAARN Cn1nccc1C(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033036490 563469990 /nfs/dbraw/zinc/46/99/90/563469990.db2.gz NQNJAMAGTFYLKI-UHFFFAOYSA-N 0 0 316.364 3.821 50 0 DHAARN CC[C@H](C)N(Cc1ccccc1F)C(=O)c1sc(N)nc1C ZINC000055098754 563470864 /nfs/dbraw/zinc/47/08/64/563470864.db2.gz LTPDVSUSZFBJHQ-JTQLQIEISA-N 0 0 321.421 3.614 50 0 DHAARN CC[C@@H](C)N(Cc1ccccc1F)C(=O)c1sc(N)nc1C ZINC000055098752 563471125 /nfs/dbraw/zinc/47/11/25/563471125.db2.gz LTPDVSUSZFBJHQ-SNVBAGLBSA-N 0 0 321.421 3.614 50 0 DHAARN COC1CCC(C(=O)N(Cc2ccco2)[C@@H](C)C(C)C)CC1 ZINC000055211182 563472838 /nfs/dbraw/zinc/47/28/38/563472838.db2.gz IFWAZSHRYSQJSX-FHERZECASA-N 0 0 307.434 3.858 50 0 DHAARN Cc1cc(C)c(C)c(C(=O)NC[C@@H](C)Oc2cccnc2)c1C ZINC000055358458 563474340 /nfs/dbraw/zinc/47/43/40/563474340.db2.gz JMJUJIKXNJXIGC-CQSZACIVSA-N 0 0 312.413 3.513 50 0 DHAARN CCC[C@H](C)C(=O)Nc1ccc(OC)cc1NC(=O)C(C)C ZINC000055370878 563474406 /nfs/dbraw/zinc/47/44/06/563474406.db2.gz OWBGLOMYDPAVTD-LBPRGKRZSA-N 0 0 306.406 3.664 50 0 DHAARN CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1cnc2ccccn21 ZINC000055325736 563474764 /nfs/dbraw/zinc/47/47/64/563474764.db2.gz UGAYZYXEZQPSRH-AWEZNQCLSA-N 0 0 311.385 3.614 50 0 DHAARN Cc1nsc(NC(=O)N2CCCC[C@@H]2c2cccc(F)c2)n1 ZINC000055401592 563475470 /nfs/dbraw/zinc/47/54/70/563475470.db2.gz QSGVIGWOGMEOHF-CYBMUJFWSA-N 0 0 320.393 3.745 50 0 DHAARN COc1cccc(NC(=O)c2ncoc2-c2ccc(C)s2)c1 ZINC000033049086 563477629 /nfs/dbraw/zinc/47/76/29/563477629.db2.gz YLTRDWDUXCEQID-UHFFFAOYSA-N 0 0 314.366 3.972 50 0 DHAARN Cc1cnn(CC2CC2)c1NC(=O)Cc1ccc2ccccc2c1 ZINC000058158586 563478877 /nfs/dbraw/zinc/47/88/77/563478877.db2.gz ULWAYKPJMAADQF-UHFFFAOYSA-N 0 0 319.408 3.936 50 0 DHAARN O=C(Cc1ccc2c(c1)CCC2)N1CCCc2ccc(F)cc21 ZINC000058369947 563478919 /nfs/dbraw/zinc/47/89/19/563478919.db2.gz CCSFLFLKFILFPL-UHFFFAOYSA-N 0 0 309.384 3.836 50 0 DHAARN CC(C)c1ocnc1C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000096410953 563479934 /nfs/dbraw/zinc/47/99/34/563479934.db2.gz HJHZLLZHAYDWMO-AWEZNQCLSA-N 0 0 302.349 3.914 50 0 DHAARN COc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1OC ZINC000011204694 563481208 /nfs/dbraw/zinc/48/12/08/563481208.db2.gz YKSLKWUTBXHARH-SFHVURJKSA-N 0 0 311.381 3.585 50 0 DHAARN O=C(CSc1ccccc1)NCc1coc(-c2ccccc2)n1 ZINC000096423232 563481293 /nfs/dbraw/zinc/48/12/93/563481293.db2.gz YZPCUESBZLXHNO-UHFFFAOYSA-N 0 0 324.405 3.750 50 0 DHAARN CCSCc1cccc(NC(=O)N[C@@H](C)c2cnn(C)c2)c1 ZINC000096435247 563481435 /nfs/dbraw/zinc/48/14/35/563481435.db2.gz KPMSKTUENLFDCN-LBPRGKRZSA-N 0 0 318.446 3.556 50 0 DHAARN CC[C@@H](C)c1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)on1 ZINC000096422275 563481745 /nfs/dbraw/zinc/48/17/45/563481745.db2.gz PRKSAYRCHFGXRE-GHMZBOCLSA-N 0 0 302.378 3.608 50 0 DHAARN CCOCc1ccccc1NC(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000096434247 563482025 /nfs/dbraw/zinc/48/20/25/563482025.db2.gz WZHAPNAXDYEIEQ-ZIAGYGMSSA-N 0 0 308.447 3.629 50 0 DHAARN Cc1noc(C)c1NC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000096434395 563482127 /nfs/dbraw/zinc/48/21/27/563482127.db2.gz BAVYLZYTZJUDFX-SECBINFHSA-N 0 0 323.780 3.534 50 0 DHAARN Cc1nc(C2CCCC2)sc1C(=O)Nc1nnc(C(C)C)[nH]1 ZINC000096430853 563482158 /nfs/dbraw/zinc/48/21/58/563482158.db2.gz YMJMTIOQEFICQQ-UHFFFAOYSA-N 0 0 319.434 3.603 50 0 DHAARN CN(Cc1ccsc1)C(=O)c1ccc([C@H]2CCCO2)s1 ZINC000067473373 563487678 /nfs/dbraw/zinc/48/76/78/563487678.db2.gz RUHQEWRLHXIULT-GFCCVEGCSA-N 0 0 307.440 3.933 50 0 DHAARN COc1ccc(-c2nc(Cn3cc(C)cn3)c(C)o2)c(C)c1C ZINC000067473144 563488012 /nfs/dbraw/zinc/48/80/12/563488012.db2.gz GOBLICXYAJXODX-UHFFFAOYSA-N 0 0 311.385 3.829 50 0 DHAARN COc1ccc(-c2ccc(-n3cccc3)nc2)c(OC)c1OC ZINC000067714308 563489651 /nfs/dbraw/zinc/48/96/51/563489651.db2.gz KNBKRUDFYIKEMJ-UHFFFAOYSA-N 0 0 310.353 3.565 50 0 DHAARN CC(C)[C@H](C)N(C)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000067726850 563489754 /nfs/dbraw/zinc/48/97/54/563489754.db2.gz LWBUJODMUWYEGE-LBPRGKRZSA-N 0 0 320.364 3.509 50 0 DHAARN C[C@@H](Cn1cccn1)NCc1nc2cc(C(C)(C)C)ccc2o1 ZINC000067788309 563490795 /nfs/dbraw/zinc/49/07/95/563490795.db2.gz HZAIDJCCFOZIJJ-ZDUSSCGKSA-N 0 0 312.417 3.500 50 0 DHAARN CC(C)(C)c1csc(Cn2cc([C@H]3CC=CCC3)nn2)n1 ZINC000067833980 563491201 /nfs/dbraw/zinc/49/12/01/563491201.db2.gz YAQTXEKLTOWMSQ-LBPRGKRZSA-N 0 0 302.447 3.904 50 0 DHAARN CCCC[S@@](=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000097083688 563504938 /nfs/dbraw/zinc/50/49/38/563504938.db2.gz CHJFPVWNZCZVLM-SFHVURJKSA-N 0 0 305.230 3.690 50 0 DHAARN CSc1cccc(CN(C(=O)c2cccnc2)C(C)C)c1 ZINC000067842945 563492551 /nfs/dbraw/zinc/49/25/51/563492551.db2.gz SOYKTXMGFSNRAB-UHFFFAOYSA-N 0 0 300.427 3.854 50 0 DHAARN COc1cc([C@H]2c3[nH]cnc3CCN2CCC(C)C)ccc1F ZINC000067843221 563492710 /nfs/dbraw/zinc/49/27/10/563492710.db2.gz FBIROYXMJZAAIR-SFHVURJKSA-N 0 0 317.408 3.551 50 0 DHAARN Cc1ccsc1-c1nc(CN2CCC[C@](C)(CO)C2)c(C)o1 ZINC000067910444 563493389 /nfs/dbraw/zinc/49/33/89/563493389.db2.gz RGPVLGHRBSSLTB-KRWDZBQOSA-N 0 0 320.458 3.614 50 0 DHAARN CCCc1ncn(Cc2nc(-c3ccccc3Cl)oc2C)n1 ZINC000067880027 563493424 /nfs/dbraw/zinc/49/34/24/563493424.db2.gz KHQIHELYPPDODJ-UHFFFAOYSA-N 0 0 316.792 3.896 50 0 DHAARN Cc1ccccc1[C@@H](NC(=O)Cc1ccncc1)c1ccccc1 ZINC000067965141 563494205 /nfs/dbraw/zinc/49/42/05/563494205.db2.gz SWBQEYBYXIAUGR-NRFANRHFSA-N 0 0 316.404 3.838 50 0 DHAARN c1ccc(CCc2nc(-c3cccc4cnccc43)n[nH]2)cc1 ZINC000067965721 563494209 /nfs/dbraw/zinc/49/42/09/563494209.db2.gz LBGFPUFINAWFFM-UHFFFAOYSA-N 0 0 300.365 3.805 50 0 DHAARN CCCCc1nc(CN(CC)Cc2c(C)nn(CC)c2C)c[nH]1 ZINC000067966900 563494286 /nfs/dbraw/zinc/49/42/86/563494286.db2.gz JQAWIYZDCBFLKA-UHFFFAOYSA-N 0 0 317.481 3.608 50 0 DHAARN Cc1ccccc1CN1CCc2nc[nH]c2[C@H]1c1cccs1 ZINC000067983227 563494824 /nfs/dbraw/zinc/49/48/24/563494824.db2.gz DYQXAEHHULAZRQ-GOSISDBHSA-N 0 0 309.438 3.927 50 0 DHAARN CCCn1c(=O)c2c(nc1SC)c(-c1ccccc1)cn2C ZINC000033114536 563496256 /nfs/dbraw/zinc/49/62/56/563496256.db2.gz SIBZMDCHMVLFRQ-UHFFFAOYSA-N 0 0 313.426 3.534 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N(C)[C@H]3CCC[C@H](C)C3)cc21 ZINC000033100820 563496267 /nfs/dbraw/zinc/49/62/67/563496267.db2.gz KFLMAZSDZSWOAN-JSGCOSHPSA-N 0 0 315.417 3.997 50 0 DHAARN CC[C@@H](C)NC(=O)c1csc(Nc2ccc(F)c(F)c2)n1 ZINC000033138800 563497293 /nfs/dbraw/zinc/49/72/93/563497293.db2.gz NFHFYNRQBJFRRE-MRVPVSSYSA-N 0 0 311.357 3.693 50 0 DHAARN O=c1ccc2cc3c(cc2o1)occ3-c1ccc2c(c1)OCCO2 ZINC000071384894 563498858 /nfs/dbraw/zinc/49/88/58/563498858.db2.gz RGQYMXFQEUVBQZ-UHFFFAOYSA-N 0 0 320.300 3.977 50 0 DHAARN O=C(Cc1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000071415917 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563502801 /nfs/dbraw/zinc/50/28/01/563502801.db2.gz BTTPWKRIAJMSFK-UHFFFAOYSA-N 0 0 316.426 3.504 50 0 DHAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl ZINC000000034432 563506306 /nfs/dbraw/zinc/50/63/06/563506306.db2.gz GLDJTIBYIWYOML-LLVKDONJSA-N 0 0 314.772 3.718 50 0 DHAARN COCc1ccccc1NC(=O)NC[C@H](C)c1nc(C)cs1 ZINC000097113121 563506430 /nfs/dbraw/zinc/50/64/30/563506430.db2.gz WJYSPKMCJLTBHI-NSHDSACASA-N 0 0 319.430 3.523 50 0 DHAARN O=[S@@](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000097148216 563506619 /nfs/dbraw/zinc/50/66/19/563506619.db2.gz GAVXONFOFAMJNF-GOSISDBHSA-N 0 0 300.210 3.837 50 0 DHAARN Cc1nc(CC(=O)N2CCCCC[C@H]2c2ccco2)cs1 ZINC000076509172 563506829 /nfs/dbraw/zinc/50/68/29/563506829.db2.gz HFYAEBWYTOQUQR-AWEZNQCLSA-N 0 0 304.415 3.731 50 0 DHAARN CC(C)c1nnc(CN[C@@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000097112338 563507096 /nfs/dbraw/zinc/50/70/96/563507096.db2.gz BDEMKIHLPVRKNE-LBPRGKRZSA-N 0 0 312.373 3.699 50 0 DHAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(F)c(F)c1 ZINC000000036325 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CCOc1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc2c1 ZINC000000177111 563575125 /nfs/dbraw/zinc/57/51/25/563575125.db2.gz OPHLQOJUPQPCIZ-UHFFFAOYSA-N 0 0 323.348 3.752 50 0 DHAARN COc1ccccc1/C=C1/N=C(c2ccc(C)c(C)c2)OC1=O ZINC000000177168 563575291 /nfs/dbraw/zinc/57/52/91/563575291.db2.gz HDHOTUQYQLUWHL-LFIBNONCSA-N 0 0 307.349 3.657 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)Oc1ccccc1 ZINC000000193592 563577226 /nfs/dbraw/zinc/57/72/26/563577226.db2.gz TZHPRUKPLMDUED-UHFFFAOYSA-N 0 0 324.380 3.924 50 0 DHAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(F)cc1 ZINC000000200767 563577388 /nfs/dbraw/zinc/57/73/88/563577388.db2.gz VMSMWZIYCLZAME-LBPRGKRZSA-N 0 0 311.360 3.686 50 0 DHAARN CC[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000050078085 563577847 /nfs/dbraw/zinc/57/78/47/563577847.db2.gz OGHRQAJEHLSVOT-SOUVJXGZSA-N 0 0 319.449 3.562 50 0 DHAARN CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2 ZINC000000213939 563578606 /nfs/dbraw/zinc/57/86/06/563578606.db2.gz UWXVMIBCJRNBBP-LLVKDONJSA-N 0 0 318.467 3.771 50 0 DHAARN C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccccc1 ZINC000000218397 563579163 /nfs/dbraw/zinc/57/91/63/563579163.db2.gz HYUDFFXKBAIIFJ-HNNXBMFYSA-N 0 0 306.409 3.988 50 0 DHAARN O=C(Nc1ccc(O)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000000233264 563579604 /nfs/dbraw/zinc/57/96/04/563579604.db2.gz UOTMQZUDDJFLKE-UHFFFAOYSA-N 0 0 317.344 3.876 50 0 DHAARN CC[C@](C)(C(=O)NC1CCCC1)N(C(C)=O)c1ccc(C)cc1 ZINC000000246482 563581684 /nfs/dbraw/zinc/58/16/84/563581684.db2.gz IYCQPHPJQYJBJL-LJQANCHMSA-N 0 0 316.445 3.575 50 0 DHAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1C ZINC000000252056 563582422 /nfs/dbraw/zinc/58/24/22/563582422.db2.gz FCQKCVFUEWWNJS-HNNXBMFYSA-N 0 0 319.408 3.711 50 0 DHAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(C)C(C1CC1)C1CC1 ZINC000050400560 563586631 /nfs/dbraw/zinc/58/66/31/563586631.db2.gz UHJUNPRGAUTQAV-UHFFFAOYSA-N 0 0 324.424 3.840 50 0 DHAARN CCOc1ccccc1/C=C1/N=C(c2cccc(F)c2)OC1=O ZINC000000301770 563586678 /nfs/dbraw/zinc/58/66/78/563586678.db2.gz ADNLAESILDLWJH-RVDMUPIBSA-N 0 0 311.312 3.569 50 0 DHAARN COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C=O)cc1 ZINC000011692813 563588411 /nfs/dbraw/zinc/58/84/11/563588411.db2.gz PGLGBQWIFBUVLP-RUDMXATFSA-N 0 0 316.740 3.780 50 0 DHAARN Cc1cc(NC(=O)c2ccc3ncsc3c2)n(C(C)C)n1 ZINC000011695191 563590064 /nfs/dbraw/zinc/59/00/64/563590064.db2.gz SXTAYUNJFLBBPT-UHFFFAOYSA-N 0 0 300.387 3.634 50 0 DHAARN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)c(C)s1 ZINC000024069926 563590718 /nfs/dbraw/zinc/59/07/18/563590718.db2.gz SGCKRDJALKJUEE-UHFFFAOYSA-N 0 0 307.440 3.506 50 0 DHAARN CCOC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000013959207 563591844 /nfs/dbraw/zinc/59/18/44/563591844.db2.gz XTYKWNISZZQXRN-UHFFFAOYSA-N 0 0 324.380 3.848 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033436743 563591926 /nfs/dbraw/zinc/59/19/26/563591926.db2.gz BKHOZTACONAJEC-KUGGDMIFSA-N 0 0 323.392 3.566 50 0 DHAARN O=C1OC(=CNOCc2ccc(Cl)cc2)c2ccccc21 ZINC000100400974 563592489 /nfs/dbraw/zinc/59/24/89/563592489.db2.gz NMICIYYMRLSRTF-DHDCSXOGSA-N 0 0 301.729 3.530 50 0 DHAARN O=C(/C=C\c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000033573169 563594683 /nfs/dbraw/zinc/59/46/83/563594683.db2.gz GTOWYVCHNTWWIF-RNNBRSHQSA-N 0 0 323.392 3.896 50 0 DHAARN COC(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000046524203 563595210 /nfs/dbraw/zinc/59/52/10/563595210.db2.gz GZJIXUHTVWNGQE-UHFFFAOYSA-N 0 0 323.352 3.527 50 0 DHAARN O=S(=O)(NCc1ccco1)c1cccc2cccc(Cl)c21 ZINC000033674507 563595747 /nfs/dbraw/zinc/59/57/47/563595747.db2.gz LKRIJFRWLRYUHD-UHFFFAOYSA-N 0 0 321.785 3.565 50 0 DHAARN CCOC(=O)c1ccc(CSc2nc3ccccc3o2)o1 ZINC000091558820 563596894 /nfs/dbraw/zinc/59/68/94/563596894.db2.gz TVCAGBBNOJBCDF-UHFFFAOYSA-N 0 0 303.339 3.890 50 0 DHAARN COc1ccccc1[C@@H]1C=C(c2ccc(C)cc2)N=C2N=NNN21 ZINC000100622473 563597003 /nfs/dbraw/zinc/59/70/03/563597003.db2.gz DXHCLZFIJIFBNJ-INIZCTEOSA-N 0 0 319.368 3.643 50 0 DHAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1 ZINC000005111691 563597396 /nfs/dbraw/zinc/59/73/96/563597396.db2.gz KFBQDOVMVAORNG-UHFFFAOYSA-N 0 0 323.270 3.501 50 0 DHAARN Cc1cc(C(=O)Nc2cccc(F)c2)c2cnn(C(C)C)c2n1 ZINC000011766531 563598882 /nfs/dbraw/zinc/59/88/82/563598882.db2.gz XUNILOAVKKZQEM-UHFFFAOYSA-N 0 0 312.348 3.712 50 0 DHAARN N=c1c2c3c(sc2ncn1Cc1ccccc1)CCCCC3 ZINC000100685431 563598911 /nfs/dbraw/zinc/59/89/11/563598911.db2.gz PMYOKCVWOQCLBY-UHFFFAOYSA-N 0 0 309.438 3.894 50 0 DHAARN COc1cc2nc(Cl)nc(N3CCCC[C@H]3C)c2cc1OC ZINC000011756897 563599079 /nfs/dbraw/zinc/59/90/79/563599079.db2.gz YOIHZVPHRVHXND-SNVBAGLBSA-N 0 0 321.808 3.679 50 0 DHAARN COc1ccccc1C[C@@H](C)N(C)C(=O)c1ncoc1C(C)C ZINC000072501878 563600098 /nfs/dbraw/zinc/60/00/98/563600098.db2.gz MTHZSTPOBFCYFN-CYBMUJFWSA-N 0 0 316.401 3.510 50 0 DHAARN CCOc1ccccc1Nc1nc(SC)nc2c1CCC2 ZINC000011907791 563601189 /nfs/dbraw/zinc/60/11/89/563601189.db2.gz WXPSLOLFSJTWGM-UHFFFAOYSA-N 0 0 301.415 3.830 50 0 DHAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1nc2c(s1)CCCC2 ZINC000011916562 563601654 /nfs/dbraw/zinc/60/16/54/563601654.db2.gz KEAYQRCJYIKDLS-SNVBAGLBSA-N 0 0 320.389 3.567 50 0 DHAARN COc1cc2ncnc(Nc3ccc(C(C)=O)cc3)c2cc1OC ZINC000011990249 563602964 /nfs/dbraw/zinc/60/29/64/563602964.db2.gz FHODFBPGUBHIJG-UHFFFAOYSA-N 0 0 323.352 3.593 50 0 DHAARN CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c21)C1CC1 ZINC000044545402 563603744 /nfs/dbraw/zinc/60/37/44/563603744.db2.gz UEVIAGQCYOOJBZ-UHFFFAOYSA-N 0 0 321.380 3.823 50 0 DHAARN CC(C)[C@@H](C)N(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CC1 ZINC000127813788 563604716 /nfs/dbraw/zinc/60/47/16/563604716.db2.gz YIZGJWHFQYIZOI-GFCCVEGCSA-N 0 0 315.392 3.865 50 0 DHAARN CCOc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 ZINC000000187738 563609322 /nfs/dbraw/zinc/60/93/22/563609322.db2.gz PNNUBWKIHOHFFY-LFIBNONCSA-N 0 0 311.312 3.569 50 0 DHAARN c1sc(C2CC2)nc1CN1CCOC2(C1)CCCCCC2 ZINC000135803494 563609393 /nfs/dbraw/zinc/60/93/93/563609393.db2.gz KTAMWYDTMQEKFP-UHFFFAOYSA-N 0 0 306.475 3.946 50 0 DHAARN Cn1c2ccccc2n(CCCOc2ccc(Cl)cc2)c1=N ZINC000585655846 563609693 /nfs/dbraw/zinc/60/96/93/563609693.db2.gz OADGLMPWROXUCM-UHFFFAOYSA-N 0 0 315.804 3.582 50 0 DHAARN COc1ccc(OCCn2c(C)c(C=O)c3ccccc32)cc1 ZINC000000555410 563610882 /nfs/dbraw/zinc/61/08/82/563610882.db2.gz SQIBYSGCDRHPNV-UHFFFAOYSA-N 0 0 309.365 3.850 50 0 DHAARN Cc1nnc(SCC(=O)c2ccccc2)n1Cc1ccccc1 ZINC000000421393 563611237 /nfs/dbraw/zinc/61/12/37/563611237.db2.gz CAMRZLGQEARZNA-UHFFFAOYSA-N 0 0 323.421 3.610 50 0 DHAARN COc1cccc(CC(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000000413631 563611425 /nfs/dbraw/zinc/61/14/25/563611425.db2.gz BAXKOLVWMIYRKS-UHFFFAOYSA-N 0 0 304.415 3.630 50 0 DHAARN Cc1ccc(-n2c(-c3ccco3)nnc2-c2ccncc2)cc1 ZINC000000411337 563611467 /nfs/dbraw/zinc/61/14/67/563611467.db2.gz FWAVJMVSUSGZHA-UHFFFAOYSA-N 0 0 302.337 3.898 50 0 DHAARN COC(=O)CSc1nc(-c2ccccc2)nc2ccccc21 ZINC000000421601 563611629 /nfs/dbraw/zinc/61/16/29/563611629.db2.gz ICTBRAWGEXCUJI-UHFFFAOYSA-N 0 0 310.378 3.562 50 0 DHAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1 ZINC000000427357 563612748 /nfs/dbraw/zinc/61/27/48/563612748.db2.gz MAURMOHKPVIHRO-UHFFFAOYSA-N 0 0 323.421 3.912 50 0 DHAARN COc1ccc(-n2ncc3c2ncnc3NC2CCCCC2)cc1 ZINC000000425611 563613225 /nfs/dbraw/zinc/61/32/25/563613225.db2.gz OHDWKUYULFOHDK-UHFFFAOYSA-N 0 0 323.400 3.569 50 0 DHAARN Cn1c(SC/C=C\c2ccccc2)nnc1-c1ccccn1 ZINC000033900681 563616392 /nfs/dbraw/zinc/61/63/92/563616392.db2.gz JHRGMZPJSFDBFF-YFHOEESVSA-N 0 0 308.410 3.683 50 0 DHAARN Cc1cc(COc2cccc(NC(=O)c3ccccc3)c2)no1 ZINC000075147392 563616688 /nfs/dbraw/zinc/61/66/88/563616688.db2.gz KAJWPOJCRANUNR-UHFFFAOYSA-N 0 0 308.337 3.814 50 0 DHAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(C)n3)cc2)cc1 ZINC000000466099 563617967 /nfs/dbraw/zinc/61/79/67/563617967.db2.gz SEIDFSYKODUTNC-UHFFFAOYSA-N 0 0 309.325 3.796 50 0 DHAARN CCOP(=O)(NNc1cccc(C(F)(F)F)c1)OCC ZINC000001995064 563620865 /nfs/dbraw/zinc/62/08/65/563620865.db2.gz IAKIHZLWXOSEHH-UHFFFAOYSA-N 0 0 312.228 3.803 50 0 DHAARN c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cc1 ZINC000034126868 563620967 /nfs/dbraw/zinc/62/09/67/563620967.db2.gz YBPIJARTCXVFQF-UHFFFAOYSA-N 0 0 305.337 3.658 50 0 DHAARN Cc1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)on1 ZINC000046635967 563621337 /nfs/dbraw/zinc/62/13/37/563621337.db2.gz POGDPLDANMGIBO-NSHDSACASA-N 0 0 322.767 3.623 50 0 DHAARN CC(NC(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F ZINC000003188976 563622036 /nfs/dbraw/zinc/62/20/36/563622036.db2.gz DHHPOIVAAJQFAL-UHFFFAOYSA-N 0 0 306.250 3.502 50 0 DHAARN COc1cc(C=O)ccc1Oc1ncnc2c3ccccc3oc21 ZINC000003258368 563622187 /nfs/dbraw/zinc/62/21/87/563622187.db2.gz DRJGSYGMCQTGIW-UHFFFAOYSA-N 0 0 320.304 3.989 50 0 DHAARN C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(F)cc1F ZINC000007671762 563625745 /nfs/dbraw/zinc/62/57/45/563625745.db2.gz BGCRRTICAWNSJO-VCFDLTMXSA-N 0 0 305.299 3.995 50 0 DHAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1ccccn1 ZINC000000475768 563626800 /nfs/dbraw/zinc/62/68/00/563626800.db2.gz JLYIVPNQEMHZGW-FNORWQNLSA-N 0 0 307.180 3.718 50 0 DHAARN CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3)cc21 ZINC000017247861 563626806 /nfs/dbraw/zinc/62/68/06/563626806.db2.gz IIMRFINCGMLFHC-UHFFFAOYSA-N 0 0 308.381 3.628 50 0 DHAARN O=C(CSc1nc2ccccc2s1)NC1CCCCC1 ZINC000000055166 563628235 /nfs/dbraw/zinc/62/82/35/563628235.db2.gz SZZZTWMTNQPXKL-UHFFFAOYSA-N 0 0 306.456 3.837 50 0 DHAARN Cc1cc(S(=O)(=O)n2ccnc2C(C)C)c(C)cc1Cl ZINC000000384708 563629929 /nfs/dbraw/zinc/62/99/29/563629929.db2.gz BBUIWUICSZCRJL-UHFFFAOYSA-N 0 0 312.822 3.514 50 0 DHAARN CNc1ccccc1C(=O)OCc1ccc(Br)cc1 ZINC000000462000 563630847 /nfs/dbraw/zinc/63/08/47/563630847.db2.gz KDLZAMKCASMZFO-UHFFFAOYSA-N 0 0 320.186 3.848 50 0 DHAARN O=C(Cn1nnc2ccccc21)c1ccc(Cl)cc1Cl ZINC000000572097 563631282 /nfs/dbraw/zinc/63/12/82/563631282.db2.gz OELXILCUUGVXMN-UHFFFAOYSA-N 0 0 306.152 3.621 50 0 DHAARN O=C(Nc1ccc(C(=O)Oc2ccccc2)cc1)c1ccco1 ZINC000000859156 563632226 /nfs/dbraw/zinc/63/22/26/563632226.db2.gz BJOOHUCTFDQMIK-UHFFFAOYSA-N 0 0 307.305 3.751 50 0 DHAARN COc1ccc(-c2cc(C(=O)N(C)OC)c3ccccc3n2)cc1 ZINC000017793194 563633571 /nfs/dbraw/zinc/63/35/71/563633571.db2.gz VOFKTFGQVHMHKO-UHFFFAOYSA-N 0 0 322.364 3.544 50 0 DHAARN CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1 ZINC000001838762 563634336 /nfs/dbraw/zinc/63/43/36/563634336.db2.gz RZDMKGTYYDJLFK-UHFFFAOYSA-N 0 0 323.868 3.611 50 0 DHAARN CCCCOC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000001886270 563634341 /nfs/dbraw/zinc/63/43/41/563634341.db2.gz ZEASSRSQNWOVTL-UHFFFAOYSA-N 0 0 303.383 3.957 50 0 DHAARN O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1Cl ZINC000003159087 563640926 /nfs/dbraw/zinc/64/09/26/563640926.db2.gz MHWOHKADXWOIFN-UHFFFAOYSA-N 0 0 303.166 3.761 50 0 DHAARN O=C(c1ccno1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206990272 563641644 /nfs/dbraw/zinc/64/16/44/563641644.db2.gz SDTHXRYWLWAQDA-CQSZACIVSA-N 0 0 322.817 3.648 50 0 DHAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1O ZINC000008382760 563642598 /nfs/dbraw/zinc/64/25/98/563642598.db2.gz LVSLKZXRVKYXDF-NSHDSACASA-N 0 0 305.761 3.760 50 0 DHAARN O=C(/C=C/c1ccccc1)N1CCS[C@H](c2ccco2)CC1 ZINC000207007099 563643696 /nfs/dbraw/zinc/64/36/96/563643696.db2.gz LIBVRRXLKHKBTQ-IJDCCNJMSA-N 0 0 313.422 4.000 50 0 DHAARN Cc1nc([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2)cs1 ZINC000189853230 563644613 /nfs/dbraw/zinc/64/46/13/563644613.db2.gz MTJGXRUAVFOSME-MRXNPFEDSA-N 0 0 315.442 3.536 50 0 DHAARN CC(C)=CCCC1=CC[C@H]2C(=O)NN(c3ccccc3)C(=O)[C@H]2C1 ZINC000000485819 563645811 /nfs/dbraw/zinc/64/58/11/563645811.db2.gz XMGHGZFUAASIJW-MSOLQXFVSA-N 0 0 324.424 3.763 50 0 biogenic DHAARN Nc1c(F)c(Cl)c(Br)cc1Br ZINC000169726172 563647722 /nfs/dbraw/zinc/64/77/22/563647722.db2.gz LPPPMIYFBYJDRL-UHFFFAOYSA-N 0 0 303.356 3.586 50 0 DHAARN CCCCC(=O)Nc1ccc(-c2cn3nc(OC)ccc3n2)cc1 ZINC000011693497 563650753 /nfs/dbraw/zinc/65/07/53/563650753.db2.gz KGEKKAKNGJZDBR-UHFFFAOYSA-N 0 0 324.384 3.534 50 0 DHAARN CCN(CC)c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000011905848 563650911 /nfs/dbraw/zinc/65/09/11/563650911.db2.gz BAENMYDYPXTDFH-UHFFFAOYSA-N 0 0 308.385 3.513 50 0 DHAARN CC(C)CC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000012382102 563652461 /nfs/dbraw/zinc/65/24/61/563652461.db2.gz IBFANQXQSULPCR-UHFFFAOYSA-N 0 0 310.397 3.852 50 0 DHAARN CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000101547188 563656290 /nfs/dbraw/zinc/65/62/90/563656290.db2.gz IXVJAVXCXHVDAV-WDEREUQCSA-N 0 0 310.180 3.839 50 0 DHAARN COc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC000000516106 563661572 /nfs/dbraw/zinc/66/15/72/563661572.db2.gz ZSQSNLXZSLKVBY-UHFFFAOYSA-N 0 0 319.364 3.713 50 0 DHAARN Cc1cc2oc(-c3ccc4c(c3)OCCO4)c(O)c(=O)c2cc1C ZINC000000518801 563661877 /nfs/dbraw/zinc/66/18/77/563661877.db2.gz PGWGPYWVEYUYFU-UHFFFAOYSA-N 0 0 324.332 3.554 50 0 biogenic DHAARN CCn1c2ccccc2nc1NCc1cc(OC)ccc1OC ZINC000000523770 563664504 /nfs/dbraw/zinc/66/45/04/563664504.db2.gz BDFDSTNVUXGFHJ-UHFFFAOYSA-N 0 0 311.385 3.686 50 0 DHAARN Cc1occc1-c1nnc2sc(/C=C\c3ccccc3)nn21 ZINC000103313655 563667112 /nfs/dbraw/zinc/66/71/12/563667112.db2.gz QFFIYPLKTHWPFG-FPLPWBNLSA-N 0 0 308.366 3.925 50 0 DHAARN CCC[C@H]1Cc2c(sc3nc(SCC)nc(N)c23)CO1 ZINC000000554675 563670436 /nfs/dbraw/zinc/67/04/36/563670436.db2.gz CWCUOTLMBMXMIH-QMMMGPOBSA-N 0 0 309.460 3.627 50 0 DHAARN CCC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 ZINC000000560801 563670696 /nfs/dbraw/zinc/67/06/96/563670696.db2.gz JUQPYVFXWBRJOZ-UHFFFAOYSA-N 0 0 312.413 3.683 50 0 DHAARN O=C1N[C@@H](/C=C/c2ccccc2)Nc2sc3c(c21)CCCC3 ZINC000000565644 563671525 /nfs/dbraw/zinc/67/15/25/563671525.db2.gz IGPNOQFJSXPCLA-AUECHBEKSA-N 0 0 310.422 3.822 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1F ZINC000104490996 563673534 /nfs/dbraw/zinc/67/35/34/563673534.db2.gz PZGHOKMRQSGPRN-RHSMWYFYSA-N 0 0 308.356 3.901 50 0 DHAARN COC(=O)c1sccc1NC(=O)c1ccc(Cl)cc1F ZINC000015606801 563674870 /nfs/dbraw/zinc/67/48/70/563674870.db2.gz MMXQNJLOBZRJLI-UHFFFAOYSA-N 0 0 313.737 3.580 50 0 DHAARN O=C(NCC[C@@H]1CCCCO1)C1(c2ccccc2)CCCC1 ZINC000182792183 563674890 /nfs/dbraw/zinc/67/48/90/563674890.db2.gz ZRLAVDRNLZKKMZ-KRWDZBQOSA-N 0 0 301.430 3.574 50 0 DHAARN COc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3C)n[nH]2)c1 ZINC000051315592 563675162 /nfs/dbraw/zinc/67/51/62/563675162.db2.gz YYDLMQIEYXONJK-UHFFFAOYSA-N 0 0 321.380 3.954 50 0 DHAARN Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000046798473 563677558 /nfs/dbraw/zinc/67/75/58/563677558.db2.gz FLISHRVXIYGNGD-INIZCTEOSA-N 0 0 318.804 3.851 50 0 DHAARN CC[C@H](C)Nc1onc(-c2cccc(Cl)c2)c1C(=O)OC ZINC000046914586 563678061 /nfs/dbraw/zinc/67/80/61/563678061.db2.gz WSAFDAYNXGKCTH-VIFPVBQESA-N 0 0 308.765 3.992 50 0 DHAARN Cc1cccc(NC(=O)C[C@@H]2C=CCC2)c1C(=O)N1CCCC1 ZINC000046909864 563678080 /nfs/dbraw/zinc/67/80/80/563678080.db2.gz BPWAYZUIVDZVFU-OAHLLOKOSA-N 0 0 312.413 3.526 50 0 DHAARN CC(C)COc1ccc(NC(=O)C[C@@H]2CCCO2)cc1Cl ZINC000047088302 563678522 /nfs/dbraw/zinc/67/85/22/563678522.db2.gz FWCKDYLTXPZKLM-ZDUSSCGKSA-N 0 0 311.809 3.882 50 0 DHAARN CN(C)/C=C\c1oc2ccc(O)cc2c1C(=O)c1ccccc1 ZINC000149864662 563680365 /nfs/dbraw/zinc/68/03/65/563680365.db2.gz BCSHZJXLAPDKLG-KHPPLWFESA-N 0 0 307.349 3.902 50 0 DHAARN CC(=O)Nc1cc(NC(=O)N(CC(C)C)CC(C)C)ccc1F ZINC000047482455 563681080 /nfs/dbraw/zinc/68/10/80/563681080.db2.gz PDFUHSIYEQMPTO-UHFFFAOYSA-N 0 0 323.412 3.930 50 0 DHAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 ZINC000012111549 563681128 /nfs/dbraw/zinc/68/11/28/563681128.db2.gz RFAGRYHWEHOVIJ-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN Cc1cc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)n[nH]1 ZINC000047555267 563681781 /nfs/dbraw/zinc/68/17/81/563681781.db2.gz OQORSBYYXPVIOS-UHFFFAOYSA-N 0 0 321.380 3.858 50 0 DHAARN C[C@@H]1CN(c2ncnc3cccc(F)c32)C[C@@H](c2ccccc2)O1 ZINC000107342499 563683315 /nfs/dbraw/zinc/68/33/15/563683315.db2.gz NHDMPBDABLEMDM-DYVFJYSZSA-N 0 0 323.371 3.735 50 0 DHAARN COc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cn1 ZINC000044866107 563685145 /nfs/dbraw/zinc/68/51/45/563685145.db2.gz DLMQXHHBDLDJQT-UHFFFAOYSA-N 0 0 319.723 3.616 50 0 DHAARN Cc1[nH]nc2c1[C@@H](c1ccnc3ccccc31)SCC(=O)N2 ZINC000044901208 563686130 /nfs/dbraw/zinc/68/61/30/563686130.db2.gz LWQQZHVFRKIEFB-OAHLLOKOSA-N 0 0 310.382 3.691 50 0 DHAARN c1cc2c(s1)CCN(Cc1csc(-c3ccccn3)n1)C2 ZINC000044895379 563686155 /nfs/dbraw/zinc/68/61/55/563686155.db2.gz ROXLCRGZVICGDK-UHFFFAOYSA-N 0 0 313.451 3.825 50 0 DHAARN O=c1ccc(-c2ccccc2Cl)nn1Cc1ccccc1F ZINC000044901161 563686181 /nfs/dbraw/zinc/68/61/81/563686181.db2.gz FGMMCPUJYJXHRW-UHFFFAOYSA-N 0 0 314.747 3.751 50 0 DHAARN Cc1[nH]nc2c1[C@H](c1ccc3ncccc3c1)SCC(=O)N2 ZINC000044901331 563686227 /nfs/dbraw/zinc/68/62/27/563686227.db2.gz FMICLSOXJUYDJY-HNNXBMFYSA-N 0 0 310.382 3.691 50 0 DHAARN Cc1nc(Cc2nc(-c3ccc(O)cc3O)cs2)cs1 ZINC000044914435 563686733 /nfs/dbraw/zinc/68/67/33/563686733.db2.gz XUKOPBJQKWGZQZ-UHFFFAOYSA-N 0 0 304.396 3.577 50 0 DHAARN C[C@@H](CCc1ccco1)NC(=O)N[C@@H](C)c1ccccc1F ZINC000045035703 563687756 /nfs/dbraw/zinc/68/77/56/563687756.db2.gz NIOCEVIHHDLKEQ-STQMWFEESA-N 0 0 304.365 3.800 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3ccccc32)on1 ZINC000045305640 563688468 /nfs/dbraw/zinc/68/84/68/563688468.db2.gz KHEWNLPXPMDSOR-CVEARBPZSA-N 0 0 311.385 3.517 50 0 DHAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(F)c(Cl)c1 ZINC000051354025 563688556 /nfs/dbraw/zinc/68/85/56/563688556.db2.gz CMFIYVAHMQGQAJ-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cn1 ZINC000048018062 563692746 /nfs/dbraw/zinc/69/27/46/563692746.db2.gz MLHAHIFFPBWUAK-CYBMUJFWSA-N 0 0 303.387 3.521 50 0 DHAARN CCOC(=O)Nc1ccc(NC(=O)NCc2cccs2)cc1 ZINC000047947820 563692772 /nfs/dbraw/zinc/69/27/72/563692772.db2.gz PJAPURTZZGPLHZ-UHFFFAOYSA-N 0 0 319.386 3.638 50 0 DHAARN Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccncc2)c1C ZINC000048196358 563693412 /nfs/dbraw/zinc/69/34/12/563693412.db2.gz WWFUIMKWSUASKO-FUHWJXTLSA-N 0 0 324.424 3.829 50 0 DHAARN CCN(Cc1ccccc1)C(=O)Nc1ccccc1-n1cccn1 ZINC000048152317 563693486 /nfs/dbraw/zinc/69/34/86/563693486.db2.gz QDUDTBJDVAQLBO-UHFFFAOYSA-N 0 0 320.396 3.926 50 0 DHAARN O=C(Nc1ccc(N2CCCCC2)cc1)OCC(F)(F)F ZINC000048235194 563693978 /nfs/dbraw/zinc/69/39/78/563693978.db2.gz QOBXTLYRUFUXEK-UHFFFAOYSA-N 0 0 302.296 3.788 50 0 DHAARN Cc1ccc(-c2nc(C)c(C(=O)NCc3ccoc3)s2)o1 ZINC000048237615 563694027 /nfs/dbraw/zinc/69/40/27/563694027.db2.gz RVFQKGOLWYHHSQ-UHFFFAOYSA-N 0 0 302.355 3.543 50 0 DHAARN COc1ccc(NC(=O)N2c3ccccc3C[C@@H]2C)cc1OC ZINC000000609872 563694030 /nfs/dbraw/zinc/69/40/30/563694030.db2.gz DUUTUDLCZYXEMW-LBPRGKRZSA-N 0 0 312.369 3.687 50 0 DHAARN C[C@H](CCc1ccco1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000048237536 563694324 /nfs/dbraw/zinc/69/43/24/563694324.db2.gz DHCZHWFCUMPLNP-CQSZACIVSA-N 0 0 310.397 3.831 50 0 DHAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)C(C)C ZINC000048256463 563694360 /nfs/dbraw/zinc/69/43/60/563694360.db2.gz XUNBKYOZHBZVLG-ZDUSSCGKSA-N 0 0 305.422 3.756 50 0 DHAARN Cc1noc(COC(=O)c2cc(C(C)C)cc(C(C)C)c2O)n1 ZINC000048289872 563694738 /nfs/dbraw/zinc/69/47/38/563694738.db2.gz MBUULTSZEKPRJT-UHFFFAOYSA-N 0 0 318.373 3.687 50 0 DHAARN CCc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000048303031 563695780 /nfs/dbraw/zinc/69/57/80/563695780.db2.gz TZNKCXJOCKJLRG-LJQANCHMSA-N 0 0 324.424 3.730 50 0 DHAARN Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000048302669 563695790 /nfs/dbraw/zinc/69/57/90/563695790.db2.gz SFXISYBWMRZSQB-LJQANCHMSA-N 0 0 324.424 3.785 50 0 DHAARN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccccc2-c2ccccc2)cn1 ZINC000048311980 563695826 /nfs/dbraw/zinc/69/58/26/563695826.db2.gz UWKGJKCSVBCUAZ-ZWKOTPCHSA-N 0 0 317.392 3.829 50 0 DHAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCc2ccccc2C1 ZINC000048362223 563697486 /nfs/dbraw/zinc/69/74/86/563697486.db2.gz OACSYFJQOZRRJU-CQSZACIVSA-N 0 0 305.381 3.856 50 0 DHAARN CCCn1cc(NC(=O)c2oc3ccccc3c2C)ccc1=O ZINC000048368389 563698304 /nfs/dbraw/zinc/69/83/04/563698304.db2.gz DIAHLZGFJFPVFH-UHFFFAOYSA-N 0 0 310.353 3.565 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2nc3c(s2)CCCCC3)s1 ZINC000048811486 563699992 /nfs/dbraw/zinc/69/99/92/563699992.db2.gz VQIGPYNIEDQBPK-UHFFFAOYSA-N 0 0 307.444 3.738 50 0 DHAARN COC(=O)c1sc2ccc3ncccc3c2c1Br ZINC000207737298 563700043 /nfs/dbraw/zinc/70/00/43/563700043.db2.gz SRVUVLBNPDRACT-UHFFFAOYSA-N 0 0 322.183 3.999 50 0 DHAARN O=C(Nc1cccc(C[NH2+]Cc2cccnc2)c1)C1CCCC1 ZINC000048781324 563700108 /nfs/dbraw/zinc/70/01/08/563700108.db2.gz XRXCVAMWBCIILR-UHFFFAOYSA-N 0 0 309.413 3.500 50 0 DHAARN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccccc2Cl)c1 ZINC000049306596 563700938 /nfs/dbraw/zinc/70/09/38/563700938.db2.gz OQTRVAZSYXYNOZ-UHFFFAOYSA-N 0 0 309.818 3.782 50 0 DHAARN Cc1noc(C)c1[C@H]1CC(=O)Nc2c1cnn2Cc1ccccc1 ZINC000049546604 563701638 /nfs/dbraw/zinc/70/16/38/563701638.db2.gz IZCGXAARCAUZKG-AWEZNQCLSA-N 0 0 322.368 3.660 50 0 DHAARN CC(C)c1ccc([C@H](C)NCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000049605838 563702224 /nfs/dbraw/zinc/70/22/24/563702224.db2.gz PERCNWRHCWKPRC-AWEZNQCLSA-N 0 0 321.424 3.897 50 0 DHAARN COc1ccnc(CNC(=O)[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000215275599 563704800 /nfs/dbraw/zinc/70/48/00/563704800.db2.gz VQYPTCPYFNTQRQ-IBGZPJMESA-N 0 0 324.424 3.680 50 0 DHAARN COC[C@H]1CCCN1C(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000215498105 563705132 /nfs/dbraw/zinc/70/51/32/563705132.db2.gz AZIYZURZAVOGRR-CYBMUJFWSA-N 0 0 321.804 3.575 50 0 DHAARN CC(CNC(=O)[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1 ZINC000215556850 563706300 /nfs/dbraw/zinc/70/63/00/563706300.db2.gz RZEATZNZNWEYPS-IBGZPJMESA-N 0 0 323.436 3.678 50 0 DHAARN CCc1nccc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000215633099 563706507 /nfs/dbraw/zinc/70/65/07/563706507.db2.gz DQAVXZGENJPKFW-QGZVFWFLSA-N 0 0 321.428 3.643 50 0 DHAARN COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cccc3nonc32)c1 ZINC000216370181 563708966 /nfs/dbraw/zinc/70/89/66/563708966.db2.gz LBHSMMVQDAVCNK-SFHVURJKSA-N 0 0 323.396 3.959 50 0 DHAARN C[C@@H](N[C@H]1COc2ccccc2C1)c1occc1Br ZINC000095967516 563711869 /nfs/dbraw/zinc/71/18/69/563711869.db2.gz SPGGGQJUHNQYGV-ZYHUDNBSSA-N 0 0 322.202 3.696 50 0 DHAARN c1coc(CSc2ccc3nnc(-c4ccccc4)n3n2)c1 ZINC000012322913 563713193 /nfs/dbraw/zinc/71/31/93/563713193.db2.gz YFVCEPLHABWVCC-UHFFFAOYSA-N 0 0 308.366 3.677 50 0 DHAARN Cc1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1 ZINC000000775360 563714020 /nfs/dbraw/zinc/71/40/20/563714020.db2.gz IHMZEUBVUOKJCA-UHFFFAOYSA-N 0 0 310.328 3.719 50 0 DHAARN CCc1ccc([C@@H](C)NC(=O)CSc2nc(C)cs2)cc1 ZINC000007195466 563715560 /nfs/dbraw/zinc/71/55/60/563715560.db2.gz ICQTZQHEYUAXPF-GFCCVEGCSA-N 0 0 320.483 3.983 50 0 DHAARN Cc1cccc(C)c1NC(=O)CN1CCSc2ccccc21 ZINC000007493291 563716167 /nfs/dbraw/zinc/71/61/67/563716167.db2.gz XTOAHSKQHYTWSM-UHFFFAOYSA-N 0 0 312.438 3.854 50 0 DHAARN Cc1ccc(NC(=O)CN2CCSc3ccccc32)c(C)c1 ZINC000007493321 563716212 /nfs/dbraw/zinc/71/62/12/563716212.db2.gz JGGPMVSKOIUQIP-UHFFFAOYSA-N 0 0 312.438 3.854 50 0 DHAARN CC[C@@H](CO)NC(=O)c1cc2sc3ccccc3c2s1 ZINC000000798270 563716780 /nfs/dbraw/zinc/71/67/80/563716780.db2.gz NIGSYBCWPCYQOP-VIFPVBQESA-N 0 0 305.424 3.617 50 0 DHAARN O=C(c1cc(F)ccc1Cl)N(Cc1cccnc1)C1CC1 ZINC000219068813 563717737 /nfs/dbraw/zinc/71/77/37/563717737.db2.gz MSUUSSYRKBVIPU-UHFFFAOYSA-N 0 0 304.752 3.679 50 0 DHAARN COc1ccccc1OCCn1cc(C(C)=O)c2ccccc21 ZINC000000807324 563718520 /nfs/dbraw/zinc/71/85/20/563718520.db2.gz OPTOWUPJICDIBM-UHFFFAOYSA-N 0 0 309.365 3.932 50 0 DHAARN CC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1 ZINC000000813397 563719929 /nfs/dbraw/zinc/71/99/29/563719929.db2.gz CIPZTVWSXBUVQO-UHFFFAOYSA-N 0 0 310.382 3.907 50 0 DHAARN COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1O ZINC000000818030 563720400 /nfs/dbraw/zinc/72/04/00/563720400.db2.gz PYXUHOPNZPCGAW-LJQANCHMSA-N 0 0 321.380 3.854 50 0 DHAARN Cc1ccccc1OCC(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390831755 563720615 /nfs/dbraw/zinc/72/06/15/563720615.db2.gz UQPCEZYIBYDQHE-UHFFFAOYSA-N 0 0 321.376 3.950 50 0 DHAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)CCC(F)(F)F ZINC000221242218 563723048 /nfs/dbraw/zinc/72/30/48/563723048.db2.gz MRCJPSKBNWWRLC-UHFFFAOYSA-N 0 0 319.714 3.517 50 0 DHAARN CCSc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000221256113 563723491 /nfs/dbraw/zinc/72/34/91/563723491.db2.gz BQEAPBGSDOMYKT-NSHDSACASA-N 0 0 321.471 3.603 50 0 DHAARN O=C(N[C@H]1COC2(CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000222698451 563728056 /nfs/dbraw/zinc/72/80/56/563728056.db2.gz FNIHJRQLLWSVDK-CYBMUJFWSA-N 0 0 313.319 3.537 50 0 DHAARN O=C(NCc1nc(-c2ccc(F)cc2)cs1)[C@H]1CC12CCC2 ZINC000222831478 563728714 /nfs/dbraw/zinc/72/87/14/563728714.db2.gz VKUWMYUILXYDBK-CYBMUJFWSA-N 0 0 316.401 3.756 50 0 DHAARN CSCc1ccc(C(=O)N2CCCC[C@H]2c2cc(C)on2)o1 ZINC000223629356 563735113 /nfs/dbraw/zinc/73/51/13/563735113.db2.gz YSIRWGOVNLHBGS-AWEZNQCLSA-N 0 0 320.414 3.806 50 0 DHAARN O=C(CCOCc1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000040157257 563750768 /nfs/dbraw/zinc/75/07/68/563750768.db2.gz UISJBYGTJNRPML-LJQANCHMSA-N 0 0 309.409 3.787 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCCc3cc(C)ccc32)c1C ZINC000040159957 563750811 /nfs/dbraw/zinc/75/08/11/563750811.db2.gz DDVPWRTVVUHGPX-UHFFFAOYSA-N 0 0 310.397 3.736 50 0 DHAARN Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000225543030 563758188 /nfs/dbraw/zinc/75/81/88/563758188.db2.gz JYEILEJMIXTJDS-CABCVRRESA-N 0 0 317.477 3.903 50 0 DHAARN Cc1ccccc1C[C@H](C)N(C)c1nccc(C(F)(F)F)n1 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ZINC000241383518 563777564 /nfs/dbraw/zinc/77/75/64/563777564.db2.gz MVXRVLYZSHQFSH-KGLIPLIRSA-N 0 0 320.458 3.607 50 0 DHAARN CCn1ccnc1CN(Cc1ccccc1OC)C1CCCC1 ZINC000244724598 563779092 /nfs/dbraw/zinc/77/90/92/563779092.db2.gz MXBMIRSGLYYOBP-UHFFFAOYSA-N 0 0 313.445 3.856 50 0 DHAARN Cc1ncsc1CCN(C)Cc1nc2c(ccc(C)c2C)[nH]1 ZINC000244899667 563779897 /nfs/dbraw/zinc/77/98/97/563779897.db2.gz ZNORNFCJGCSWCV-UHFFFAOYSA-N 0 0 314.458 3.619 50 0 DHAARN CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C)c1 ZINC000245326833 563780546 /nfs/dbraw/zinc/78/05/46/563780546.db2.gz LZBGPTPSIUIREA-USXIJHARSA-N 0 0 315.413 3.858 50 0 DHAARN C[C@H]1CN(C(=O)c2ccccc2)O[C@@H](c2c[nH]c3ccccc32)O1 ZINC000003669935 563780630 /nfs/dbraw/zinc/78/06/30/563780630.db2.gz ZOABXWZBVLSUOG-DJJJIMSYSA-N 0 0 322.364 3.659 50 0 DHAARN COc1ccc(CN(C(=O)NCc2ccccc2)C2CC2)cc1 ZINC000025078401 563783447 /nfs/dbraw/zinc/78/34/47/563783447.db2.gz YRZFMPCJGFSMPS-UHFFFAOYSA-N 0 0 310.397 3.569 50 0 DHAARN O=C(OCC1CC1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000052745276 563793564 /nfs/dbraw/zinc/79/35/64/563793564.db2.gz PUEIXXXWRLLIGF-UHFFFAOYSA-N 0 0 310.397 3.843 50 0 DHAARN CCCCCCN1C(=O)/C(=C/c2cccs2)N(C)C1=S ZINC000005951086 563795265 /nfs/dbraw/zinc/79/52/65/563795265.db2.gz JWUVEIDEMMACMJ-QBFSEMIESA-N 0 0 308.472 3.728 50 0 DHAARN Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000183369239 563795478 /nfs/dbraw/zinc/79/54/78/563795478.db2.gz JQRORZFOWCATNI-MRXNPFEDSA-N 0 0 320.348 3.592 50 0 DHAARN O=C(Nc1nc2c(s1)CCCCC2)c1n[nH]c2ccccc21 ZINC000012507540 563796813 /nfs/dbraw/zinc/79/68/13/563796813.db2.gz LQJOZTWCBBQBRU-UHFFFAOYSA-N 0 0 312.398 3.541 50 0 DHAARN O=C(Cc1cccs1)Nc1nnc(-c2cccc(Cl)c2)o1 ZINC000012515118 563797012 /nfs/dbraw/zinc/79/70/12/563797012.db2.gz BZEHEYGJYVIPNW-UHFFFAOYSA-N 0 0 319.773 3.633 50 0 DHAARN COc1ccc(OC)c(N[C@H](C)C(=O)c2c[nH]c3ccccc32)c1 ZINC000012517177 563797089 /nfs/dbraw/zinc/79/70/89/563797089.db2.gz PRTXSTZMHLZDKA-GFCCVEGCSA-N 0 0 324.380 3.868 50 0 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303.724 3.688 50 0 DHAARN CC(C)CCn1c(CNC(=O)c2ccco2)nc2ccccc21 ZINC000012539524 563799023 /nfs/dbraw/zinc/79/90/23/563799023.db2.gz DFHDXDZNXOLZKI-UHFFFAOYSA-N 0 0 311.385 3.605 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccncc1 ZINC000012542811 563799702 /nfs/dbraw/zinc/79/97/02/563799702.db2.gz GAHJIEZUMDHGPA-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN CC1CCC(NC(=O)c2cc3c(nc4sccn34)s2)CC1 ZINC000012541047 563799795 /nfs/dbraw/zinc/79/97/95/563799795.db2.gz DIFYMXOOBICMBU-UHFFFAOYSA-N 0 0 319.455 3.919 50 0 DHAARN C[C@H](Nc1ccccc1)C(=O)Nc1ccccc1OC(F)F ZINC000012542932 563799802 /nfs/dbraw/zinc/79/98/02/563799802.db2.gz VOLDHQUEXGNQMO-NSHDSACASA-N 0 0 306.312 3.727 50 0 DHAARN C[C@@H](NC(=O)CSc1ncnc2ccccc21)c1ccccc1 ZINC000003253618 563799987 /nfs/dbraw/zinc/79/99/87/563799987.db2.gz SWJSOIZBSYYGBT-CYBMUJFWSA-N 0 0 323.421 3.599 50 0 DHAARN Cc1nc(SCC(=O)N[C@H](C)C(C)C)n(C2CCCC2)c1C ZINC000012544283 563800422 /nfs/dbraw/zinc/80/04/22/563800422.db2.gz GHECXCKOXBHDCM-GFCCVEGCSA-N 0 0 323.506 3.868 50 0 DHAARN Cc1ccn2cc(C(=O)N[C@@H]3CCSc4ccccc43)nc2c1 ZINC000012556753 563801050 /nfs/dbraw/zinc/80/10/50/563801050.db2.gz BAZFBLQCDZWLKO-CQSZACIVSA-N 0 0 323.421 3.610 50 0 DHAARN C[C@H]1CCCCN1C(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000012568543 563801801 /nfs/dbraw/zinc/80/18/01/563801801.db2.gz GBZMGIRVSHNFJO-JTQLQIEISA-N 0 0 323.849 3.709 50 0 DHAARN C[C@H](S[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(C)C ZINC000077398929 563802991 /nfs/dbraw/zinc/80/29/91/563802991.db2.gz DLTNIZMZGCHTJJ-UWVGGRQHSA-N 0 0 305.365 3.976 50 0 DHAARN CC(C)(C)SCCNC(=O)Nc1ccnn1C1CCCC1 ZINC000299772160 563805895 /nfs/dbraw/zinc/80/58/95/563805895.db2.gz ZHFYPGGLEZWECU-UHFFFAOYSA-N 0 0 310.467 3.651 50 0 DHAARN CC[C@H](C(=O)Nc1ccccc1)N(C)Cc1cc(C(C)C)on1 ZINC000299790872 563806376 /nfs/dbraw/zinc/80/63/76/563806376.db2.gz CUOQARYWPPQMJC-MRXNPFEDSA-N 0 0 315.417 3.647 50 0 DHAARN Cc1nc(C[S@](=O)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000078556117 563808323 /nfs/dbraw/zinc/80/83/23/563808323.db2.gz KYACNIIKCWVTNB-FQEVSTJZSA-N 0 0 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313.430 3.543 50 0 DHAARN CN(C(=O)c1ccc([S@@](C)=O)cc1)C1CCCCCCC1 ZINC000083855655 563813569 /nfs/dbraw/zinc/81/35/69/563813569.db2.gz NBYNSQQWBSRGMW-NRFANRHFSA-N 0 0 307.459 3.609 50 0 DHAARN CCc1ccc(CCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000010337391 563813843 /nfs/dbraw/zinc/81/38/43/563813843.db2.gz ZOUKCUWHMNCXIP-UHFFFAOYSA-N 0 0 313.397 3.838 50 0 DHAARN COc1ccccc1-c1cc(C(F)(F)F)n2nc(C)cc2n1 ZINC000001384279 563814359 /nfs/dbraw/zinc/81/43/59/563814359.db2.gz KPPFLLULCVGHLD-UHFFFAOYSA-N 0 0 307.275 3.732 50 0 DHAARN CN1O[C@@H](COC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000001385408 563814510 /nfs/dbraw/zinc/81/45/10/563814510.db2.gz WMPYXEVAXFMACV-SJORKVTESA-N 0 0 312.369 3.612 50 0 DHAARN Cc1nn2cc(-c3ccc(C)cc3)cnc2c1Br ZINC000001386202 563815118 /nfs/dbraw/zinc/81/51/18/563815118.db2.gz MHPNFKBRAOQZPA-UHFFFAOYSA-N 0 0 302.175 3.776 50 0 DHAARN O=C(Nc1ccc(N2CCCC2)cc1)c1c(F)cccc1F ZINC000001393213 563817638 /nfs/dbraw/zinc/81/76/38/563817638.db2.gz KUUGMIWUFZBTNK-UHFFFAOYSA-N 0 0 302.324 3.817 50 0 DHAARN COC(=O)c1sccc1OCc1cc(-c2ccccc2)on1 ZINC000001398585 563818095 /nfs/dbraw/zinc/81/80/95/563818095.db2.gz GLGDKKVTSNSPCB-UHFFFAOYSA-N 0 0 315.350 3.769 50 0 DHAARN CC1CCN(c2nc(-c3ccccc3)nc(Cl)c2N)CC1 ZINC000012739703 563818532 /nfs/dbraw/zinc/81/85/32/563818532.db2.gz LIPZRIJVWMXXTN-UHFFFAOYSA-N 0 0 302.809 3.616 50 0 DHAARN CCSc1nc2c(c(=O)[nH]1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001407708 563819425 /nfs/dbraw/zinc/81/94/25/563819425.db2.gz QHAUJVXCIDPJRV-KRWDZBQOSA-N 0 0 300.427 3.773 50 0 DHAARN Cc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1ccc(C)cc1 ZINC000016622496 563819532 /nfs/dbraw/zinc/81/95/32/563819532.db2.gz KWPLIPBKZWZHJC-UHFFFAOYSA-N 0 0 317.352 3.601 50 0 DHAARN CC[C@H](C(=O)NCCn1c(C)nc2ccccc21)c1ccccc1 ZINC000012741798 563820142 /nfs/dbraw/zinc/82/01/42/563820142.db2.gz FNGILOUDKWIUPR-KRWDZBQOSA-N 0 0 321.424 3.655 50 0 DHAARN CN(Cc1cscn1)C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000084086581 563822201 /nfs/dbraw/zinc/82/22/01/563822201.db2.gz DWAXURPZQLAIKU-UHFFFAOYSA-N 0 0 317.801 3.617 50 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RFEWHBZDSFGGIW-GFCCVEGCSA-N 0 0 309.369 3.884 50 0 DHAARN CSc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000012760285 563825511 /nfs/dbraw/zinc/82/55/11/563825511.db2.gz WULVLFGZQLQBSP-UHFFFAOYSA-N 0 0 302.399 3.808 50 0 DHAARN Fc1cc(Br)cc(CSc2nncs2)c1 ZINC000093954869 563825662 /nfs/dbraw/zinc/82/56/62/563825662.db2.gz QQADNZHEKUZLAB-UHFFFAOYSA-N 0 0 305.197 3.732 50 0 DHAARN Fc1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1F ZINC000084341291 563826063 /nfs/dbraw/zinc/82/60/63/563826063.db2.gz OEZFDPSUVBMWBQ-CYBMUJFWSA-N 0 0 319.355 3.605 50 0 DHAARN Fc1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1F ZINC000084341289 563826301 /nfs/dbraw/zinc/82/63/01/563826301.db2.gz OEZFDPSUVBMWBQ-ZDUSSCGKSA-N 0 0 319.355 3.605 50 0 DHAARN Oc1ccccc1N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000084581915 563828182 /nfs/dbraw/zinc/82/81/82/563828182.db2.gz MKNFMOCABTYPHS-SFHVURJKSA-N 0 0 308.425 3.592 50 0 DHAARN O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(=O)[nH]c1 ZINC000012772666 563828216 /nfs/dbraw/zinc/82/82/16/563828216.db2.gz OKMAAQIFHUUUTH-UHFFFAOYSA-N 0 0 304.305 3.939 50 0 DHAARN CCC[C@H]1CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000084740776 563830566 /nfs/dbraw/zinc/83/05/66/563830566.db2.gz LXNKIUIXNFNWGG-LBPRGKRZSA-N 0 0 305.447 3.799 50 0 DHAARN CCC1=NO[C@@H](c2nc(=O)c3cc(C(C)(C)C)sc3[nH]2)C1 ZINC000084735415 563830818 /nfs/dbraw/zinc/83/08/18/563830818.db2.gz SYHKFDYTUBHXSW-SNVBAGLBSA-N 0 0 305.403 3.510 50 0 DHAARN CCOc1ccc(C(=O)N(C)C)cc1NCc1cccc(F)c1 ZINC000084810527 563831294 /nfs/dbraw/zinc/83/12/94/563831294.db2.gz NCWMGHVMCHTFQN-UHFFFAOYSA-N 0 0 316.376 3.538 50 0 DHAARN C[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)c1cnccn1 ZINC000184995745 563832830 /nfs/dbraw/zinc/83/28/30/563832830.db2.gz BTGVOLNQDNMGEF-LBPRGKRZSA-N 0 0 324.409 3.964 50 0 DHAARN C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1nccs1 ZINC000011907377 563835802 /nfs/dbraw/zinc/83/58/02/563835802.db2.gz XMPFJYPUNYKBFM-SNVBAGLBSA-N 0 0 315.423 3.811 50 0 DHAARN CN(Cn1ncn(C)c1=S)C(c1ccccc1)c1ccccc1 ZINC000012815138 563837531 /nfs/dbraw/zinc/83/75/31/563837531.db2.gz YXUYSRXGTWVTKJ-UHFFFAOYSA-N 0 0 324.453 3.630 50 0 DHAARN CCCOCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000063579655 563837649 /nfs/dbraw/zinc/83/76/49/563837649.db2.gz ATDWKRGNBXRBKJ-UHFFFAOYSA-N 0 0 314.410 3.887 50 0 DHAARN O=C(OC1CCCC1)N1CCN(C2CC2)C[C@@H]1c1ccccc1 ZINC000085472656 563838277 /nfs/dbraw/zinc/83/82/77/563838277.db2.gz ZLSAUTLPGFPTBO-GOSISDBHSA-N 0 0 314.429 3.587 50 0 DHAARN O=C([C@H]1CC=CCC1)N1CCC(CSc2ccccn2)CC1 ZINC000085557627 563839209 /nfs/dbraw/zinc/83/92/09/563839209.db2.gz GSBLGIGUFGJVQF-INIZCTEOSA-N 0 0 316.470 3.769 50 0 DHAARN Cc1cc(OCC(=O)N[C@H]2CCc3ccccc32)ccc1Cl ZINC000012821902 563841091 /nfs/dbraw/zinc/84/10/91/563841091.db2.gz RKOJHJOQRCMDAK-KRWDZBQOSA-N 0 0 315.800 3.831 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000000277726 563842418 /nfs/dbraw/zinc/84/24/18/563842418.db2.gz QKETVCKOOVNOIY-UHFFFAOYSA-N 0 0 309.243 3.686 50 0 DHAARN CC(=O)n1c2ccc(Br)cc2c2[nH]c(=S)[nH]c21 ZINC000001507824 563842517 /nfs/dbraw/zinc/84/25/17/563842517.db2.gz NIBLLAVZGQGAJV-UHFFFAOYSA-N 0 0 310.176 3.603 50 0 DHAARN CCc1ccc([C@H](Nc2cc(C)nc3ncnn32)C(C)(C)C)o1 ZINC000085707088 563842619 /nfs/dbraw/zinc/84/26/19/563842619.db2.gz LHUVLWLIOBOLOX-HNNXBMFYSA-N 0 0 313.405 3.787 50 0 DHAARN CC(C)n1nccc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC000086154264 563844117 /nfs/dbraw/zinc/84/41/17/563844117.db2.gz LKBLTQROZXZKBL-UHFFFAOYSA-N 0 0 322.359 3.763 50 0 DHAARN CCOc1ccc(Oc2ccc(NCc3ncnn3C)cc2)cc1 ZINC000086196998 563845185 /nfs/dbraw/zinc/84/51/85/563845185.db2.gz CUDOWAIHPXSKMR-UHFFFAOYSA-N 0 0 324.384 3.618 50 0 DHAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCc2ccccc21 ZINC000012861434 563845430 /nfs/dbraw/zinc/84/54/30/563845430.db2.gz ARZFXVPDUSZENX-HNNXBMFYSA-N 0 0 309.365 3.532 50 0 DHAARN Cc1c(C(=O)NC2CCCCCC2)cnn1-c1ccc(C)cc1 ZINC000012858036 563845614 /nfs/dbraw/zinc/84/56/14/563845614.db2.gz OHOLURKUNAKJAJ-UHFFFAOYSA-N 0 0 311.429 3.942 50 0 DHAARN O=C(NC(=S)Nc1cccc(Cl)c1)c1ccccc1F ZINC000006513782 563847448 /nfs/dbraw/zinc/84/74/48/563847448.db2.gz BYZKEODPNSTKBB-UHFFFAOYSA-N 0 0 308.765 3.606 50 0 DHAARN Nc1ncnc2[nH]cc(-c3cccc(Oc4ccccc4)c3)c21 ZINC000575332759 563851044 /nfs/dbraw/zinc/85/10/44/563851044.db2.gz LTPKTFBBNPZUDG-UHFFFAOYSA-N 0 0 302.337 3.951 50 0 DHAARN O=C(CCCNC(=O)c1cccs1)Nc1cccc(Cl)c1 ZINC000012888449 563852568 /nfs/dbraw/zinc/85/25/68/563852568.db2.gz CSZGFIWASOIYKM-UHFFFAOYSA-N 0 0 322.817 3.550 50 0 DHAARN Cc1cc(N[C@@H](c2cccs2)c2ccccc2)n2ncnc2n1 ZINC000012895775 563852573 /nfs/dbraw/zinc/85/25/73/563852573.db2.gz PAKDVFFMNXVNDX-MRXNPFEDSA-N 0 0 321.409 3.696 50 0 DHAARN CC(C)CCOc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000012902791 563853373 /nfs/dbraw/zinc/85/33/73/563853373.db2.gz NXOMRNDODQXDJD-UHFFFAOYSA-N 0 0 300.402 3.548 50 0 biogenic DHAARN C[C@@H](c1ccccn1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 ZINC000074502142 563853417 /nfs/dbraw/zinc/85/34/17/563853417.db2.gz QQMFENXWOMHLLN-LBPRGKRZSA-N 0 0 323.352 3.695 50 0 DHAARN CSCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000012919615 563854241 /nfs/dbraw/zinc/85/42/41/563854241.db2.gz GJCVLLVCFKUIPA-UHFFFAOYSA-N 0 0 304.440 3.600 50 0 DHAARN CC1CCN(Cc2csc(NC(=O)c3ccccc3)n2)CC1 ZINC000012925904 563855040 /nfs/dbraw/zinc/85/50/40/563855040.db2.gz NGROHEXAYKREDJ-UHFFFAOYSA-N 0 0 315.442 3.627 50 0 DHAARN Cc1ccc(C(=O)C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cc1 ZINC000074584228 563855420 /nfs/dbraw/zinc/85/54/20/563855420.db2.gz PUILBQHKBYZHLK-LBPRGKRZSA-N 0 0 315.335 3.613 50 0 DHAARN CCOc1cc2c(cc1NC(=O)Cc1cccs1)O[C@@H](C)C2 ZINC000012932074 563855590 /nfs/dbraw/zinc/85/55/90/563855590.db2.gz CVAUCCBCWRXBHF-NSHDSACASA-N 0 0 317.410 3.651 50 0 DHAARN CC1CCC(N(C(=O)Nc2nnc(C3CC3)s2)C2CC2)CC1 ZINC000075092389 563859358 /nfs/dbraw/zinc/85/93/58/563859358.db2.gz QRQKLWJZVPCQHF-UHFFFAOYSA-N 0 0 320.462 3.991 50 0 DHAARN CC(=O)Nc1cc(NC(=O)Nc2ccc(C)cc2)c(F)cc1F ZINC000075138323 563860817 /nfs/dbraw/zinc/86/08/17/563860817.db2.gz JXRKUORSOQKJFT-UHFFFAOYSA-N 0 0 319.311 3.876 50 0 DHAARN CCc1cc(N(C)[C@@H](C)c2ccccn2)nc(-c2ccncc2)n1 ZINC000075138121 563860849 /nfs/dbraw/zinc/86/08/49/563860849.db2.gz OCDLNCDHRATWCX-AWEZNQCLSA-N 0 0 319.412 3.693 50 0 DHAARN NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000075138359 563861003 /nfs/dbraw/zinc/86/10/03/563861003.db2.gz MWGMWCLCXFGFPQ-UHFFFAOYSA-N 0 0 315.226 3.522 50 0 DHAARN O=C(CN1CCC(c2cccs2)CC1)Nc1ccccc1F ZINC000075172430 563861258 /nfs/dbraw/zinc/86/12/58/563861258.db2.gz UMACIHOKCPIYJI-UHFFFAOYSA-N 0 0 318.417 3.705 50 0 DHAARN FC(F)(F)c1ccc(CN2CC(c3nc(C4CC4)no3)C2)cc1 ZINC000075156389 563861273 /nfs/dbraw/zinc/86/12/73/563861273.db2.gz RAOZWDPMRYXMGZ-UHFFFAOYSA-N 0 0 323.318 3.565 50 0 DHAARN CC(C)(C)[C@@H](O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000075157880 563861379 /nfs/dbraw/zinc/86/13/79/563861379.db2.gz WGJDDAPQVZROIL-LBPRGKRZSA-N 0 0 318.339 3.624 50 0 DHAARN O=S(=O)(C1CCCCC1)N1CCC(c2cccs2)CC1 ZINC000075157063 563861442 /nfs/dbraw/zinc/86/14/42/563861442.db2.gz QCENSYRIJOKCHN-UHFFFAOYSA-N 0 0 313.488 3.590 50 0 DHAARN O=C(Nc1ccccn1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000075273164 563862261 /nfs/dbraw/zinc/86/22/61/563862261.db2.gz FETHGYCPYDZSKR-UHFFFAOYSA-N 0 0 323.396 3.853 50 0 DHAARN Cc1nnc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)s1 ZINC000063835057 563862264 /nfs/dbraw/zinc/86/22/64/563862264.db2.gz WZZJKSLJXDSYES-CQSZACIVSA-N 0 0 316.430 3.648 50 0 DHAARN Cc1cc(C)c(C(=O)CSc2ncnc(Cl)c2N)c(C)c1 ZINC000075279651 563862859 /nfs/dbraw/zinc/86/28/59/563862859.db2.gz DBDLDHYAQMPVSX-UHFFFAOYSA-N 0 0 321.833 3.612 50 0 DHAARN COCCCCNC(=O)c1sc(-c2ccccc2)cc1OC ZINC000053404715 563863144 /nfs/dbraw/zinc/86/31/44/563863144.db2.gz GMIFKUUATVHQDO-UHFFFAOYSA-N 0 0 319.426 3.580 50 0 DHAARN O=C(/C=C/c1ccccc1F)OCCOc1ccccc1F ZINC000007981713 563864187 /nfs/dbraw/zinc/86/41/87/563864187.db2.gz PUSMGHWFMKVIFR-MDZDMXLPSA-N 0 0 304.292 3.600 50 0 DHAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccccc1 ZINC000007645203 563864279 /nfs/dbraw/zinc/86/42/79/563864279.db2.gz WMYGBMZFBGDIDR-PKNBQFBNSA-N 0 0 323.392 3.520 50 0 DHAARN O=C(NCC[C@H](CCO)c1ccsc1)c1cccc(Cl)c1 ZINC000575607777 563865055 /nfs/dbraw/zinc/86/50/55/563865055.db2.gz OXLSKEGWFRSKRL-GFCCVEGCSA-N 0 0 323.845 3.688 50 0 DHAARN Cc1oncc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000575609091 563865645 /nfs/dbraw/zinc/86/56/45/563865645.db2.gz OPWRSCHYFNKXGB-UHFFFAOYSA-N 0 0 320.392 3.821 50 0 DHAARN O=C(NCc1ccc(-c2ccco2)o1)c1ccc(F)c(F)c1 ZINC000575608915 563865709 /nfs/dbraw/zinc/86/57/09/563865709.db2.gz LWRLNRHNOJUZFL-UHFFFAOYSA-N 0 0 303.264 3.748 50 0 DHAARN CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1 ZINC000000347718 563866187 /nfs/dbraw/zinc/86/61/87/563866187.db2.gz JIOBORXCOGMHSV-UHFFFAOYSA-N 0 0 308.410 3.551 50 0 DHAARN CCCNC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429912 563867035 /nfs/dbraw/zinc/86/70/35/563867035.db2.gz ZDJBIBNIOMUEHC-UHFFFAOYSA-N 0 0 306.369 3.513 50 0 DHAARN CCOc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1 ZINC000575616934 563867430 /nfs/dbraw/zinc/86/74/30/563867430.db2.gz QWWGOUYSDSESRC-UHFFFAOYSA-N 0 0 322.364 3.670 50 0 DHAARN Cc1cc(C(=O)CN2CCc3ccccc3C2)c(C)n1C1CC1 ZINC000035414079 563867438 /nfs/dbraw/zinc/86/74/38/563867438.db2.gz ALMHCQSOWWRJJI-UHFFFAOYSA-N 0 0 308.425 3.681 50 0 DHAARN COc1cc(C[C@@H]2C(=O)Nc3ccccc32)cc(Cl)c1OC ZINC000035476086 563867624 /nfs/dbraw/zinc/86/76/24/563867624.db2.gz QUCUHOPCCVPDAI-LBPRGKRZSA-N 0 0 317.772 3.636 50 0 DHAARN O=C(NCc1cncc(-c2ccco2)c1)c1c[nH]c2ccccc12 ZINC000575618966 563867731 /nfs/dbraw/zinc/86/77/31/563867731.db2.gz RXSKCCUENNNCPZ-UHFFFAOYSA-N 0 0 317.348 3.753 50 0 DHAARN COc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)cc1Cl ZINC000102465676 563870579 /nfs/dbraw/zinc/87/05/79/563870579.db2.gz HMLSCJHCBZUVBP-CHWSQXEVSA-N 0 0 319.788 3.584 50 0 DHAARN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccncc2)[nH]n1 ZINC000035507902 563870932 /nfs/dbraw/zinc/87/09/32/563870932.db2.gz AODSUAPDUKOFBC-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN Cc1cccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000024691128 563871189 /nfs/dbraw/zinc/87/11/89/563871189.db2.gz NKZXCPGDWXYISH-MRXNPFEDSA-N 0 0 309.413 3.643 50 0 DHAARN CN(C(=O)OC(C)(C)C)c1ccc(NCc2cscn2)cn1 ZINC000296079706 563871551 /nfs/dbraw/zinc/87/15/51/563871551.db2.gz QKYOYQCJEFXPFA-UHFFFAOYSA-N 0 0 320.418 3.522 50 0 DHAARN Cc1onc(-c2ccccc2F)c1C(=O)NCCc1ccccc1 ZINC000035536131 563872088 /nfs/dbraw/zinc/87/20/88/563872088.db2.gz ZZNUKWXLXMKALD-UHFFFAOYSA-N 0 0 324.355 3.762 50 0 DHAARN COc1cc(C)nc2ccc(NC(=O)Cc3ccccc3)cc21 ZINC000035536950 563872477 /nfs/dbraw/zinc/87/24/77/563872477.db2.gz VTWPFNRIXCHVLM-UHFFFAOYSA-N 0 0 306.365 3.733 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)c1ccccc1 ZINC000012980924 563872822 /nfs/dbraw/zinc/87/28/22/563872822.db2.gz YMYKGAIEDNDRNE-UHFFFAOYSA-N 0 0 305.381 3.766 50 0 DHAARN CCOC(=O)c1sc(NC(=O)c2ccccc2C)cc1C ZINC000035151853 563873331 /nfs/dbraw/zinc/87/33/31/563873331.db2.gz FAOYKEQLUCTHKV-UHFFFAOYSA-N 0 0 303.383 3.794 50 0 DHAARN Cc1ccc([C@H]2CCCN2Cc2nc(-c3ccco3)no2)cc1 ZINC000013013106 563876052 /nfs/dbraw/zinc/87/60/52/563876052.db2.gz AHXPYYQMJZCRAV-OAHLLOKOSA-N 0 0 309.369 3.975 50 0 DHAARN O=C(c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000013011667 563876096 /nfs/dbraw/zinc/87/60/96/563876096.db2.gz IYGFAANHOAXYFN-INIZCTEOSA-N 0 0 301.773 3.554 50 0 DHAARN CC(C)CN(C(=O)c1ccncc1)c1nc2ccccc2s1 ZINC000002620816 563877860 /nfs/dbraw/zinc/87/78/60/563877860.db2.gz CIVWPWSBCAPNSC-UHFFFAOYSA-N 0 0 311.410 3.994 50 0 DHAARN CC[C@H](CSC)N(C)C(=O)NCc1ccnc2ccccc12 ZINC000091226418 563878093 /nfs/dbraw/zinc/87/80/93/563878093.db2.gz DIJSJMLNULFXBL-CQSZACIVSA-N 0 0 317.458 3.518 50 0 DHAARN CS[C@H](C)c1cccc(NC(=O)N[C@H]2CC[C@@H](CO)CC2)c1 ZINC000241316950 563880764 /nfs/dbraw/zinc/88/07/64/563880764.db2.gz LWIZACKFINHPSM-NFAWXSAZSA-N 0 0 322.474 3.783 50 0 DHAARN CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000245309425 563881639 /nfs/dbraw/zinc/88/16/39/563881639.db2.gz CSFSBBSLGDYJQJ-QXAKKESOSA-N 0 0 319.420 3.821 50 0 DHAARN CN(Cc1cc2ccccc2o1)C(=O)NCCc1cccc(O)c1 ZINC000089350841 563884965 /nfs/dbraw/zinc/88/49/65/563884965.db2.gz AGLNMNQZQAWIPN-UHFFFAOYSA-N 0 0 324.380 3.523 50 0 DHAARN CCNc1ccc(Cl)cc1C(=O)N(C)Cc1c(C)noc1C ZINC000192047174 563885426 /nfs/dbraw/zinc/88/54/26/563885426.db2.gz JWNDVYOUKSZKJT-UHFFFAOYSA-N 0 0 321.808 3.649 50 0 DHAARN c1ccc([C@H]2CC(N=Nc3cnccn3)c3ccccc3O2)cc1 ZINC000252474441 563885602 /nfs/dbraw/zinc/88/56/02/563885602.db2.gz DUAAETOAPVURDA-GOSISDBHSA-N 0 0 316.364 3.817 50 0 DHAARN Cc1cc(C)cc(OCCCn2c(CO)nc3ccccc32)c1 ZINC000001926876 563886081 /nfs/dbraw/zinc/88/60/81/563886081.db2.gz KAKPJKXZUWXDJN-UHFFFAOYSA-N 0 0 310.397 3.615 50 0 DHAARN Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(Cl)c2)c1 ZINC000001943752 563886273 /nfs/dbraw/zinc/88/62/73/563886273.db2.gz FYIWMAHCXSJZHF-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN CCc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 ZINC000001987232 563886800 /nfs/dbraw/zinc/88/68/00/563886800.db2.gz MYTRRPRDDOSSOW-UHFFFAOYSA-N 0 0 317.772 3.698 50 0 DHAARN COc1ccccc1-n1c(C)c2c(c1C)c(OC)cccc2=O ZINC000000488150 563887456 /nfs/dbraw/zinc/88/74/56/563887456.db2.gz LAHHACSRDUMXKV-UHFFFAOYSA-N 0 0 309.365 3.625 50 0 biogenic DHAARN Cc1noc2ncnc(N3CC=C(c4cccc(C)c4)CC3)c12 ZINC000192519259 563887487 /nfs/dbraw/zinc/88/74/87/563887487.db2.gz YYAZFBLGAOCMMT-UHFFFAOYSA-N 0 0 306.369 3.528 50 0 DHAARN CC(=NNc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000252623269 563887823 /nfs/dbraw/zinc/88/78/23/563887823.db2.gz ONPGUKNOTHELCQ-UHFFFAOYSA-N 0 0 306.325 3.979 50 0 DHAARN O=C(Cc1ccccc1)N1CCS[C@H]1c1ccc(F)cc1 ZINC000035815901 563887832 /nfs/dbraw/zinc/88/78/32/563887832.db2.gz IAVKNTHURUOMCO-KRWDZBQOSA-N 0 0 301.386 3.642 50 0 DHAARN CSCCc1ccc(NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000089493748 563887937 /nfs/dbraw/zinc/88/79/37/563887937.db2.gz ZOHULBIWYGMJDE-NRFANRHFSA-N 0 0 319.495 3.942 50 0 DHAARN Cc1cc(C(=O)CSC2=N[C@@H](C)CS2)c(C)n1C1CC1 ZINC000089524114 563889474 /nfs/dbraw/zinc/88/94/74/563889474.db2.gz DRINSWQBSHJLIE-VIFPVBQESA-N 0 0 308.472 3.847 50 0 DHAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000054376358 563891751 /nfs/dbraw/zinc/89/17/51/563891751.db2.gz LJSOAOUVZPTTCP-KRWDZBQOSA-N 0 0 320.396 3.610 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)n2ncc3ccc(C)cc32)cc1 ZINC000064662678 563892165 /nfs/dbraw/zinc/89/21/65/563892165.db2.gz ZTGOEQMGIZEJPJ-UHFFFAOYSA-N 0 0 323.352 3.602 50 0 DHAARN CC[C@@H](C)NC(=O)c1csc(COc2ccccc2C)n1 ZINC000036084542 563893126 /nfs/dbraw/zinc/89/31/26/563893126.db2.gz BJHRJWRYQWGGBI-GFCCVEGCSA-N 0 0 304.415 3.559 50 0 DHAARN CCc1ccc(NC(=O)c2cc(C(C)C)n3nccc3n2)cc1 ZINC000064760817 563893479 /nfs/dbraw/zinc/89/34/79/563893479.db2.gz YQLTUUWPHFOXAI-UHFFFAOYSA-N 0 0 308.385 3.667 50 0 DHAARN Cc1ccc(F)c(NC(=O)c2cc(C(C)C)n3nccc3n2)c1 ZINC000064760803 563893586 /nfs/dbraw/zinc/89/35/86/563893586.db2.gz QQUSOZAWQNYQQI-UHFFFAOYSA-N 0 0 312.348 3.553 50 0 DHAARN CC(C)n1nnc2cc(C(=O)Nc3cccc(Cl)c3)ccc21 ZINC000064818438 563894191 /nfs/dbraw/zinc/89/41/91/563894191.db2.gz TWRGHPOUMCGLNJ-UHFFFAOYSA-N 0 0 314.776 3.918 50 0 DHAARN COc1cccc(-c2nc3sccn3c2/C=C/c2ccn[nH]2)c1 ZINC000169621090 563894783 /nfs/dbraw/zinc/89/47/83/563894783.db2.gz OMDGVMCVGLXLFX-AATRIKPKSA-N 0 0 322.393 3.965 50 0 DHAARN O=C(c1cccnc1Cl)N(Cc1ccc(F)cc1)C1CC1 ZINC000037977446 563894940 /nfs/dbraw/zinc/89/49/40/563894940.db2.gz MMIOJUAUXCRWQV-UHFFFAOYSA-N 0 0 304.752 3.679 50 0 DHAARN Cc1ccc(CO[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000036314751 563895227 /nfs/dbraw/zinc/89/52/27/563895227.db2.gz MNSARHLEWFZZRG-FQEVSTJZSA-N 0 0 323.436 3.745 50 0 DHAARN O=C1C[C@H](c2ccc(O)cc2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036359361 563896298 /nfs/dbraw/zinc/89/62/98/563896298.db2.gz OOLHBTYJNKRUKN-OAHLLOKOSA-N 0 0 323.327 3.841 50 0 DHAARN O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1 ZINC000036360949 563896377 /nfs/dbraw/zinc/89/63/77/563896377.db2.gz SIJYJWYFRWENRL-UHFFFAOYSA-N 0 0 305.259 3.834 50 0 DHAARN CCc1ccc(CNC(=O)NCc2noc3ccc(C)cc23)cc1 ZINC000006866127 563897422 /nfs/dbraw/zinc/89/74/22/563897422.db2.gz CTMAIFVIIMATMO-UHFFFAOYSA-N 0 0 323.396 3.698 50 0 DHAARN CCN(C(=O)NCc1noc2ccc(C)cc12)c1ccccc1 ZINC000006866098 563897445 /nfs/dbraw/zinc/89/74/45/563897445.db2.gz TXFCRYBJWHEPLO-UHFFFAOYSA-N 0 0 309.369 3.872 50 0 DHAARN Cc1ccc2onc(CNC(=O)Nc3ccc(Cl)cn3)c2c1 ZINC000006866150 563897628 /nfs/dbraw/zinc/89/76/28/563897628.db2.gz MGMKIEURQKRPOK-UHFFFAOYSA-N 0 0 316.748 3.506 50 0 DHAARN Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)sc1C ZINC000036395484 563898429 /nfs/dbraw/zinc/89/84/29/563898429.db2.gz DAWDZAXKBLHRHX-UHFFFAOYSA-N 0 0 316.382 3.574 50 0 DHAARN Cc1ccc2nc(Nc3ccc(C(C)C)cc3)c3nnnn3c2c1 ZINC000006901126 563898993 /nfs/dbraw/zinc/89/89/93/563898993.db2.gz SVFOENZXBKAYKC-UHFFFAOYSA-N 0 0 318.384 3.848 50 0 DHAARN Cc1ccc(Nc2ncnc3c2nc2n3CCCC2)c(Cl)c1 ZINC000006936916 563899630 /nfs/dbraw/zinc/89/96/30/563899630.db2.gz MNZPARPCWMURSW-UHFFFAOYSA-N 0 0 313.792 3.868 50 0 DHAARN CC(C)c1ccc(-n2ccnc2S[C@@H](C)C(=O)N(C)C)cc1 ZINC000006933563 563899639 /nfs/dbraw/zinc/89/96/39/563899639.db2.gz VLPQUXDFSGNXPB-ZDUSSCGKSA-N 0 0 317.458 3.565 50 0 DHAARN CCc1cccc2c(-c3csc(NCCOC)n3)c[nH]c21 ZINC000006946081 563900074 /nfs/dbraw/zinc/90/00/74/563900074.db2.gz DBCHIJGLXLMNRL-UHFFFAOYSA-N 0 0 301.415 3.912 50 0 DHAARN Cc1ccc(/C=C/C(=O)Nc2cc(-c3ccccn3)no2)cc1 ZINC000065152785 563900096 /nfs/dbraw/zinc/90/00/96/563900096.db2.gz OEYZTLWAFBLTTI-MDZDMXLPSA-N 0 0 305.337 3.697 50 0 DHAARN CCOc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)o2)cc1 ZINC000006944425 563900111 /nfs/dbraw/zinc/90/01/11/563900111.db2.gz RXVUBNHQWQFKCO-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN O=C(Nc1cc(-c2ccsc2)no1)c1ccc(F)cc1F ZINC000065153222 563900367 /nfs/dbraw/zinc/90/03/67/563900367.db2.gz KOPILEJOWUJCQT-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN CC(C)C(=O)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180458 563900568 /nfs/dbraw/zinc/90/05/68/563900568.db2.gz IDFYQCFNTKBIAC-UHFFFAOYSA-N 0 0 307.409 3.627 50 0 DHAARN CC(C)(C)C(=O)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000065180749 563900674 /nfs/dbraw/zinc/90/06/74/563900674.db2.gz CUQPQVLYRQWJLS-UHFFFAOYSA-N 0 0 307.409 3.879 50 0 DHAARN CCC(=O)c1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000006988387 563900795 /nfs/dbraw/zinc/90/07/95/563900795.db2.gz IFRYQUSPAOLNKH-IBGZPJMESA-N 0 0 323.392 3.678 50 0 DHAARN O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCCC1 ZINC000036704605 563902946 /nfs/dbraw/zinc/90/29/46/563902946.db2.gz ARVWWCHXZJLXQI-UHFFFAOYSA-N 0 0 307.806 3.776 50 0 DHAARN FC(F)(F)c1cnc(NCc2nnc(C3CC3)o2)c(Cl)c1 ZINC000170086228 563903585 /nfs/dbraw/zinc/90/35/85/563903585.db2.gz ACTZCTBUGGZCKR-UHFFFAOYSA-N 0 0 318.686 3.626 50 0 DHAARN Cc1cc2cc(C[NH2+][C@H](Cc3ccccc3)C(=O)[O-])oc2cc1C ZINC000170090813 563903610 /nfs/dbraw/zinc/90/36/10/563903610.db2.gz LBUYTUSYMAQIKM-GOSISDBHSA-N 0 0 323.392 3.835 50 0 DHAARN CC(C)(C)Nc1ccccc1NCc1cc(=O)n2ccccc2n1 ZINC000170089770 563903618 /nfs/dbraw/zinc/90/36/18/563903618.db2.gz YOSQHNMIRCMQJI-UHFFFAOYSA-N 0 0 322.412 3.517 50 0 DHAARN Cc1cc(-c2nnc(-c3cncn3-c3ccccc3)o2)c(C)o1 ZINC000170127528 563904000 /nfs/dbraw/zinc/90/40/00/563904000.db2.gz HGHSUMSBRMTMSY-UHFFFAOYSA-N 0 0 306.325 3.799 50 0 DHAARN Cc1csc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000007195844 563904313 /nfs/dbraw/zinc/90/43/13/563904313.db2.gz DXJBXOXMQWPRGV-NEPJUHHUSA-N 0 0 318.467 3.910 50 0 DHAARN Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000007200554 563904353 /nfs/dbraw/zinc/90/43/53/563904353.db2.gz ZRDNPSDUUPCZLR-DOTOQJQBSA-N 0 0 311.429 3.526 50 0 DHAARN O=C(OCc1c(F)cccc1Cl)c1cnc2ccccc2n1 ZINC000007191759 563904374 /nfs/dbraw/zinc/90/43/74/563904374.db2.gz KTAUOLGADJXZGV-UHFFFAOYSA-N 0 0 316.719 3.779 50 0 DHAARN COc1ccccc1CC(=O)N[C@@H]1CCSc2ccccc21 ZINC000007269239 563904961 /nfs/dbraw/zinc/90/49/61/563904961.db2.gz BPIVTOQRFAUGQN-OAHLLOKOSA-N 0 0 313.422 3.591 50 0 DHAARN CC(=O)Nc1ccc(CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000007271786 563905013 /nfs/dbraw/zinc/90/50/13/563905013.db2.gz NJUBWRDXHLJRJK-UHFFFAOYSA-N 0 0 316.788 3.788 50 0 DHAARN Cc1cccc(NC(=O)N2CCN=C2c2cccc(Cl)c2)c1 ZINC000170292564 563905085 /nfs/dbraw/zinc/90/50/85/563905085.db2.gz LDXUDAPHAIWEMM-UHFFFAOYSA-N 0 0 313.788 3.943 50 0 DHAARN CC(C)c1ocnc1C(=O)OC[C@H]1CCOc2ccccc21 ZINC000170596224 563906949 /nfs/dbraw/zinc/90/69/49/563906949.db2.gz HIVZSNLAVPSGMO-GFCCVEGCSA-N 0 0 301.342 3.521 50 0 DHAARN CO[C@H](C)CNC(=O)c1cc(N[C@H](C)C(C)C)ccc1Cl ZINC000170604401 563907272 /nfs/dbraw/zinc/90/72/72/563907272.db2.gz LUZOTOWJNAHXRT-VXGBXAGGSA-N 0 0 312.841 3.561 50 0 DHAARN COc1ccc(SCC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000170601457 563907279 /nfs/dbraw/zinc/90/72/79/563907279.db2.gz LPZRHVLWYHRHPH-UHFFFAOYSA-N 0 0 309.431 3.654 50 0 DHAARN Cc1sccc1CC(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000170605129 563907705 /nfs/dbraw/zinc/90/77/05/563907705.db2.gz ORYQDLQTIPFKCJ-UHFFFAOYSA-N 0 0 315.438 3.743 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(Cl)cn1 ZINC000170605931 563907720 /nfs/dbraw/zinc/90/77/20/563907720.db2.gz GWYFUJFAUKEGSX-SECBINFHSA-N 0 0 317.751 3.846 50 0 DHAARN CC(C)c1ccc([C@@H](C)N2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000170607203 563907826 /nfs/dbraw/zinc/90/78/26/563907826.db2.gz QFTINGOVVRYVEE-KDOFPFPSSA-N 0 0 301.430 3.551 50 0 DHAARN COc1cc(-c2noc(C)n2)ccc1OCc1cccc(F)c1 ZINC000037278975 563908084 /nfs/dbraw/zinc/90/80/84/563908084.db2.gz POHMORYUQWHGEA-UHFFFAOYSA-N 0 0 314.316 3.772 50 0 DHAARN CCC[C@@]1(COC)CCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000170615517 563908467 /nfs/dbraw/zinc/90/84/67/563908467.db2.gz FXQISRFBYLPPHH-INIZCTEOSA-N 0 0 313.800 3.900 50 0 DHAARN S=C(Nc1ccccc1)Nc1cccc(Br)n1 ZINC000170619992 563908597 /nfs/dbraw/zinc/90/85/97/563908597.db2.gz FUYHHQGZMPRPMB-UHFFFAOYSA-N 0 0 308.204 3.653 50 0 DHAARN O=C(OCc1cc(-c2ccco2)on1)c1c[nH]c2ccccc21 ZINC000007545656 563908671 /nfs/dbraw/zinc/90/86/71/563908671.db2.gz AFALMOYAXCBNPJ-UHFFFAOYSA-N 0 0 308.293 3.773 50 0 DHAARN C[C@@H]1CCCN(C(=O)NCCCc2c[nH]c3ccccc23)CC1 ZINC000170623134 563908730 /nfs/dbraw/zinc/90/87/30/563908730.db2.gz GGKVXEHVVMTJGZ-OAHLLOKOSA-N 0 0 313.445 3.932 50 0 DHAARN O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1ccco1 ZINC000071195731 563909068 /nfs/dbraw/zinc/90/90/68/563909068.db2.gz WDENAQXBPWOZML-INIZCTEOSA-N 0 0 319.364 3.544 50 0 DHAARN C[C@H]1C[C@H](C)CN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000009997189 563909332 /nfs/dbraw/zinc/90/93/32/563909332.db2.gz ZBHUGRFJYAQKHD-QWRGUYRKSA-N 0 0 315.244 3.910 50 0 DHAARN C[C@@H]1CN(C(=S)Nc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000013325896 563909538 /nfs/dbraw/zinc/90/95/38/563909538.db2.gz MHXQUUYAXGEMAU-RKDXNWHRSA-N 0 0 319.257 3.799 50 0 DHAARN CCN(CC)C(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000071854417 563909542 /nfs/dbraw/zinc/90/95/42/563909542.db2.gz CFXHAUVAKBLVCL-NSHDSACASA-N 0 0 317.260 3.855 50 0 DHAARN CC(C)c1ccccc1OC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000013331586 563909713 /nfs/dbraw/zinc/90/97/13/563909713.db2.gz FHMSCWHMBGXZSC-ZBFHGGJFSA-N 0 0 319.445 3.651 50 0 DHAARN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC(C)C)c1 ZINC000014300548 563910378 /nfs/dbraw/zinc/91/03/78/563910378.db2.gz HYMPUTGPYQLERR-UHFFFAOYSA-N 0 0 309.409 3.920 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)n[nH]2)cc1 ZINC000014260591 563910409 /nfs/dbraw/zinc/91/04/09/563910409.db2.gz KWZUSVALKGHINB-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN CC(C)[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccn1 ZINC000089801820 563911517 /nfs/dbraw/zinc/91/15/17/563911517.db2.gz PYOAZLPTVHSORK-IRXDYDNUSA-N 0 0 301.434 3.753 50 0 DHAARN Fc1ccc(NCc2noc(Cc3ccccc3)n2)cc1F ZINC000089840351 563911540 /nfs/dbraw/zinc/91/15/40/563911540.db2.gz ZYRMUKCLSWPIJV-UHFFFAOYSA-N 0 0 301.296 3.551 50 0 DHAARN CSC[C@H]1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 ZINC000076018960 563911698 /nfs/dbraw/zinc/91/16/98/563911698.db2.gz RMQMPRKVUALNPS-AWEZNQCLSA-N 0 0 321.490 3.748 50 0 DHAARN C[C@H](CC(=O)Nc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000089894555 563911865 /nfs/dbraw/zinc/91/18/65/563911865.db2.gz UDVFSFVMPQBFQG-SNVBAGLBSA-N 0 0 311.307 3.571 50 0 DHAARN C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(F)c1 ZINC000089895101 563911937 /nfs/dbraw/zinc/91/19/37/563911937.db2.gz IWRPQVUZQDEKRC-ZWNOBZJWSA-N 0 0 308.378 3.521 50 0 DHAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC(F)(F)F ZINC000089913737 563912160 /nfs/dbraw/zinc/91/21/60/563912160.db2.gz WDOOGDFXMCGACG-QMMMGPOBSA-N 0 0 317.336 3.561 50 0 DHAARN c1ccc(-c2nsc(N(Cc3cccnc3)C3CC3)n2)cc1 ZINC000153166095 563912555 /nfs/dbraw/zinc/91/25/55/563912555.db2.gz IGICSBPZBRHVPH-UHFFFAOYSA-N 0 0 308.410 3.769 50 0 DHAARN Cc1cccc(CSc2nnnn2-c2cc(C)ccc2C)c1 ZINC000007591453 563914123 /nfs/dbraw/zinc/91/41/23/563914123.db2.gz PZQLPMOPJGAMQL-UHFFFAOYSA-N 0 0 310.426 3.880 50 0 DHAARN Cc1nc2ccccc2nc1Cn1cnc2cc(F)c(F)cc21 ZINC000193126138 563914973 /nfs/dbraw/zinc/91/49/73/563914973.db2.gz STMUUKQQZGJMDB-UHFFFAOYSA-N 0 0 310.307 3.614 50 0 DHAARN CCOC(=O)N(C)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000054529375 563915763 /nfs/dbraw/zinc/91/57/63/563915763.db2.gz DMKHRDHCXFTOQE-UHFFFAOYSA-N 0 0 319.405 3.687 50 0 DHAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2ncc3c2cccc3Cl)[C@H]1C ZINC000224783169 563916112 /nfs/dbraw/zinc/91/61/12/563916112.db2.gz NWXDJIQFMKHGRA-TYNCELHUSA-N 0 0 319.836 3.631 50 0 DHAARN Cc1ccc(F)c(NS(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000252495995 563916193 /nfs/dbraw/zinc/91/61/93/563916193.db2.gz PEDGCEFBAVGWLA-UHFFFAOYSA-N 0 0 307.390 3.860 50 0 DHAARN CC(C)CCn1cc(C(=O)N2CCCC[C@@H]3CCCC[C@H]32)nn1 ZINC000252527458 563916834 /nfs/dbraw/zinc/91/68/34/563916834.db2.gz CPPXMNLQIJHNIA-DOTOQJQBSA-N 0 0 318.465 3.509 50 0 DHAARN CC(C)[C@@H]1CN(Cc2ccccc2)[C@@H]2c3ccccc3C(=O)N12 ZINC000252599461 563917343 /nfs/dbraw/zinc/91/73/43/563917343.db2.gz DJNISVWULMFWDD-OALUTQOASA-N 0 0 306.409 3.681 50 0 DHAARN Cn1c(=O)c2sccc2nc1SCc1ccc(F)c(F)c1 ZINC000067259729 563917918 /nfs/dbraw/zinc/91/79/18/563917918.db2.gz NVQXQJPOPUUWMD-UHFFFAOYSA-N 0 0 324.377 3.566 50 0 DHAARN Cc1ccccc1CN1CCN(c2ccccc2C)C(=O)[C@@H]1C ZINC000037520195 563918187 /nfs/dbraw/zinc/91/81/87/563918187.db2.gz LOZGIWXDXJOGME-KRWDZBQOSA-N 0 0 308.425 3.541 50 0 DHAARN Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1 ZINC000007725765 563918259 /nfs/dbraw/zinc/91/82/59/563918259.db2.gz WXDOPKOGGMGHSE-UHFFFAOYSA-N 0 0 324.380 3.822 50 0 DHAARN Ic1ccccc1C[NH2+]C1CCCCC1 ZINC000007736211 563918474 /nfs/dbraw/zinc/91/84/74/563918474.db2.gz FJIUFGQFCLZJOQ-UHFFFAOYSA-N 0 0 315.198 3.714 50 0 DHAARN COc1ccc2cc(C(=O)N[C@H](C)c3ccccn3)ccc2c1 ZINC000007736030 563918478 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O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccon1 ZINC000067709110 563949841 /nfs/dbraw/zinc/94/98/41/563949841.db2.gz GYIUQJAJTJKGQI-UHFFFAOYSA-N 0 0 312.300 3.645 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)N1CCn2c3ccccc3nc21 ZINC000008704172 563949847 /nfs/dbraw/zinc/94/98/47/563949847.db2.gz AAHQWAYHNFAMAT-UHFFFAOYSA-N 0 0 312.760 3.742 50 0 DHAARN COc1ccc(C2=NNC(=Nc3ccc(F)cc3)SC2)cc1 ZINC000008704614 563949852 /nfs/dbraw/zinc/94/98/52/563949852.db2.gz UGBCDMAAZJZNOJ-UHFFFAOYSA-N 0 0 315.373 3.753 50 0 DHAARN Cc1cccc(Oc2ccc(NC(=O)c3cnn(C)c3)cc2)c1 ZINC000008705641 563949898 /nfs/dbraw/zinc/94/98/98/563949898.db2.gz XVMYGYFKEAXVNL-UHFFFAOYSA-N 0 0 307.353 3.773 50 0 DHAARN Cc1cccc(Nc2ccccc2C(=O)N2CCOCC2)c1C ZINC000008708851 563949961 /nfs/dbraw/zinc/94/99/61/563949961.db2.gz CHAWAIKSIVBBNF-UHFFFAOYSA-N 0 0 310.397 3.519 50 0 DHAARN O=C1NCCCC[C@@H]1Sc1ncc(C(F)(F)F)cc1Cl ZINC000008707274 563950020 /nfs/dbraw/zinc/95/00/20/563950020.db2.gz GQGRDUNBOTXAPK-VIFPVBQESA-N 0 0 324.755 3.515 50 0 DHAARN CC(C)c1nc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)co1 ZINC000067871354 563950374 /nfs/dbraw/zinc/95/03/74/563950374.db2.gz SRUDKLLIUNNKRK-GFCCVEGCSA-N 0 0 322.368 3.662 50 0 DHAARN CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008735222 563950460 /nfs/dbraw/zinc/95/04/60/563950460.db2.gz CASSQKMQBOQWGA-UHFFFAOYSA-N 0 0 311.772 3.552 50 0 DHAARN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(C)ccc1C ZINC000008735245 563950472 /nfs/dbraw/zinc/95/04/72/563950472.db2.gz GQFIVADTKJEYHF-UHFFFAOYSA-N 0 0 320.392 3.759 50 0 DHAARN O=C(c1ccco1)N1N=C(c2cccc(O)c2)C[C@@H]1c1ccco1 ZINC000008734920 563950473 /nfs/dbraw/zinc/95/04/73/563950473.db2.gz AQPYSBWEJULLNJ-OAHLLOKOSA-N 0 0 322.320 3.570 50 0 DHAARN CCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(C)ccc1C ZINC000008754102 563950555 /nfs/dbraw/zinc/95/05/55/563950555.db2.gz WMXUNKKSDIAOFM-UHFFFAOYSA-N 0 0 321.417 3.653 50 0 DHAARN O=c1c2sccc2ncn1Cc1ccc(C(F)(F)F)cc1 ZINC000008771564 563950848 /nfs/dbraw/zinc/95/08/48/563950848.db2.gz PPWYOYPAGQAFRV-UHFFFAOYSA-N 0 0 310.300 3.525 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CN(C)/C=C/c1oc2ccc(O)cc2c1C(=O)c1ccccc1 ZINC000068705087 563951158 /nfs/dbraw/zinc/95/11/58/563951158.db2.gz BCSHZJXLAPDKLG-ZHACJKMWSA-N 0 0 307.349 3.902 50 0 DHAARN CCc1nnc2ccc(N[C@@H]3CCCCc4ccccc43)nn21 ZINC000068697050 563951181 /nfs/dbraw/zinc/95/11/81/563951181.db2.gz YMCFYYNMTWDEIA-OAHLLOKOSA-N 0 0 307.401 3.566 50 0 DHAARN CCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 ZINC000008869601 563951188 /nfs/dbraw/zinc/95/11/88/563951188.db2.gz MZSYWAIFPLKYNZ-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN CSc1ncccc1C(=O)N1CCCc2ccc(F)cc21 ZINC000040117181 563951498 /nfs/dbraw/zinc/95/14/98/563951498.db2.gz AWPCVFHVAYJPFK-UHFFFAOYSA-N 0 0 302.374 3.536 50 0 DHAARN CC(=O)c1cc(CCC(=O)Nc2cc(F)ccc2C)oc1C ZINC000008924822 563951500 /nfs/dbraw/zinc/95/15/00/563951500.db2.gz IESNRWWEPLAVHN-UHFFFAOYSA-N 0 0 303.333 3.809 50 0 DHAARN C[C@H](NC(=O)CSC1=Nc2ccccc2CS1)C1CC1 ZINC000008942357 563951542 /nfs/dbraw/zinc/95/15/42/563951542.db2.gz CBGRKZQGCOYLQC-JTQLQIEISA-N 0 0 306.456 3.569 50 0 DHAARN CC(C)CCNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000008991951 563951982 /nfs/dbraw/zinc/95/19/82/563951982.db2.gz UDFBCLMFDLYPOH-UHFFFAOYSA-N 0 0 313.426 3.863 50 0 DHAARN COc1ccc(-c2nnc3ccc(Nc4ccccc4)nn32)cc1 ZINC000009060874 563952097 /nfs/dbraw/zinc/95/20/97/563952097.db2.gz VEESPSLKDORPEF-UHFFFAOYSA-N 0 0 317.352 3.544 50 0 DHAARN Cc1ccc2onc(CNC(=O)Nc3ccc(C)c(F)c3)c2c1 ZINC000009116989 563952637 /nfs/dbraw/zinc/95/26/37/563952637.db2.gz ZWGZQRXQIZTOJV-UHFFFAOYSA-N 0 0 313.332 3.905 50 0 DHAARN O=C(CC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000069452281 563952973 /nfs/dbraw/zinc/95/29/73/563952973.db2.gz LIUMFJAJOBBKLK-WPRPVWTQSA-N 0 0 311.225 3.630 50 0 DHAARN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1C)c1c(C)noc1C ZINC000069460700 563952975 /nfs/dbraw/zinc/95/29/75/563952975.db2.gz MRIRPRGWZPHDGA-SWLSCSKDSA-N 0 0 300.402 3.971 50 0 DHAARN CC(C)[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1 ZINC000069452385 563953003 /nfs/dbraw/zinc/95/30/03/563953003.db2.gz WFRJKMGVNJKSMB-HKUYNNGSSA-N 0 0 323.392 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CC[C@@H]1C(=O)N(c2nc(-c3ccc(OC)cc3)cs2)N=C1C ZINC000022108761 1013742240 /nfs/dbraw/zinc/74/22/40/1013742240.db2.gz WKCUVBBJRSWRQK-ZDUSSCGKSA-N 0 0 315.398 3.567 50 0 DHAARN CCc1noc(-c2ccccc2NC(=O)c2ccc(C)cc2)n1 ZINC000033012686 1013970869 /nfs/dbraw/zinc/97/08/69/1013970869.db2.gz SWTDHSCEGFGMHP-UHFFFAOYSA-N 0 0 307.353 3.860 50 0 DHAARN Cc1ccccc1/C=C\C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000050632236 1014495725 /nfs/dbraw/zinc/49/57/25/1014495725.db2.gz HRNAXVIQNDUMLC-XMXAVACDSA-N 0 0 305.381 3.762 50 0 DHAARN O=C(/C=C\c1ccc(Br)o1)OCc1ccccc1 ZINC000033304684 1014739492 /nfs/dbraw/zinc/73/94/92/1014739492.db2.gz LMTSVBLXIGUTGJ-CLFYSBASSA-N 0 0 307.143 3.799 50 0 DHAARN Cc1ccc(N2C(=O)C[C@H]([C@@H](C)c3ccccc3)C2=O)cc1C ZINC000035142056 1015441300 /nfs/dbraw/zinc/44/13/00/1015441300.db2.gz DYOCAVFNXZPCON-MAUKXSAKSA-N 0 0 307.393 3.987 50 0 DHAARN COc1ccc(OC)c(/C=C\C(=O)Nc2ccc(C)cc2C)c1 ZINC000006404409 1032118616 /nfs/dbraw/zinc/11/86/16/1032118616.db2.gz PMBZRYGPVPPUTQ-POHAHGRESA-N 0 0 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Cc1cccc([C@H]2CCCCN2C(=O)[C@H](C)c2cncnc2)c1C ZINC000328595739 231236263 /nfs/dbraw/zinc/23/62/63/231236263.db2.gz CVSVNPDRPADMDP-VQIMIIECSA-N 0 0 323.440 3.951 50 0 DHAARN Cc1nc(/C=C\C(=O)Nc2nc(C(C)(C)C)cs2)cs1 ZINC000096936372 185392727 /nfs/dbraw/zinc/39/27/27/185392727.db2.gz CODGMLFSESMAIV-WAYWQWQTSA-N 0 0 307.444 3.857 50 0 DHAARN O=C(/C=C\c1ccc(Cl)s1)NCCc1ccccc1F ZINC000096936762 185393077 /nfs/dbraw/zinc/39/30/77/185393077.db2.gz CDBMQDNKDMVJBX-VURMDHGXSA-N 0 0 309.793 3.913 50 0 DHAARN CCOc1ncccc1CN[C@H](C)c1cnc2ccsc2c1 ZINC000089988830 185275013 /nfs/dbraw/zinc/27/50/13/185275013.db2.gz FTDRLTCPGBTYHZ-GFCCVEGCSA-N 0 0 313.426 3.941 50 0 DHAARN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1C[C@H](C)Sc2sccc21 ZINC000090227310 185287709 /nfs/dbraw/zinc/28/77/09/185287709.db2.gz YLAKEFZLIBJFOP-XDTLVQLUSA-N 0 0 320.487 3.698 50 0 DHAARN FC(F)(F)c1cc(Cl)cc(I)c1 ZINC000082048350 192353078 /nfs/dbraw/zinc/35/30/78/192353078.db2.gz LJWHHSGVKPUZEL-UHFFFAOYSA-N 0 0 306.452 3.963 50 0 DHAARN c1cn(Cc2ccccc2)c([C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000082100487 192356317 /nfs/dbraw/zinc/35/63/17/192356317.db2.gz SWFNKSFHTMIJTI-GOSISDBHSA-N 0 0 318.424 3.710 50 0 DHAARN Oc1ccc(-c2nccn2C[C@H](O)c2ccccc2)cc1Cl ZINC000082096794 192355261 /nfs/dbraw/zinc/35/52/61/192355261.db2.gz QCSXBPDVQUVYAV-INIZCTEOSA-N 0 0 314.772 3.643 50 0 DHAARN CCOc1ccccc1NC(=O)CNc1cc(F)ccc1C ZINC000003398460 190618075 /nfs/dbraw/zinc/61/80/75/190618075.db2.gz UAWAPQGDZVCDRM-UHFFFAOYSA-N 0 0 302.349 3.583 50 0 DHAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 ZINC000006231863 190622654 /nfs/dbraw/zinc/62/26/54/190622654.db2.gz CCFMQMWNHYABRQ-UHFFFAOYSA-N 0 0 313.250 3.862 50 0 DHAARN CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)C(C)(C)C ZINC000007001858 190627637 /nfs/dbraw/zinc/62/76/37/190627637.db2.gz BHSPCDKHDJUMGS-UHFFFAOYSA-N 0 0 316.401 3.946 50 0 DHAARN C[C@@H]1CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000096993396 185395364 /nfs/dbraw/zinc/39/53/64/185395364.db2.gz OFXMPMDHQPPXEK-LDPUDYSASA-N 0 0 301.430 3.633 50 0 DHAARN CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 ZINC000008071695 190630663 /nfs/dbraw/zinc/63/06/63/190630663.db2.gz UWVHSZPMLFRHRU-UHFFFAOYSA-N 0 0 302.305 3.646 50 0 DHAARN FC(F)(F)c1ccc(-n2cc(NCc3cscn3)cn2)cc1 ZINC000092846218 185345875 /nfs/dbraw/zinc/34/58/75/185345875.db2.gz BCHRCWULDMQKDG-UHFFFAOYSA-N 0 0 324.331 3.960 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(F)cc1 ZINC000012345535 190635360 /nfs/dbraw/zinc/63/53/60/190635360.db2.gz GIBKEPIOFZWVAN-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN OCc1cccc(OCc2c(F)cccc2Br)c1 ZINC000092896811 185348274 /nfs/dbraw/zinc/34/82/74/185348274.db2.gz HVQIGFVEPFUZEL-UHFFFAOYSA-N 0 0 311.150 3.660 50 0 DHAARN CC(C)(C)[C@H](CCO)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000095393408 185352270 /nfs/dbraw/zinc/35/22/70/185352270.db2.gz BRSZJOPBCDUMRF-LBPRGKRZSA-N 0 0 319.232 3.912 50 0 DHAARN O=C(Cc1cccnc1)N(Cc1ccncc1)CC1CCCCC1 ZINC000095396798 185352976 /nfs/dbraw/zinc/35/29/76/185352976.db2.gz YMNLSNPJFNDIHC-UHFFFAOYSA-N 0 0 323.440 3.628 50 0 DHAARN O=C(c1cc(-n2cccn2)ccn1)N(C1CCCC1)C1CCCC1 ZINC000095398761 185353685 /nfs/dbraw/zinc/35/36/85/185353685.db2.gz NPUUXAJSMHCQKZ-UHFFFAOYSA-N 0 0 324.428 3.595 50 0 DHAARN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NC1CCOCC1 ZINC000095400279 185354010 /nfs/dbraw/zinc/35/40/10/185354010.db2.gz NIUDRHVNRPHDCP-OAHLLOKOSA-N 0 0 316.445 3.738 50 0 DHAARN Cc1nc(CSCc2nnc(-c3ccccc3)o2)cs1 ZINC000095403753 185355086 /nfs/dbraw/zinc/35/50/86/185355086.db2.gz JNQFZRVLEUVIFP-UHFFFAOYSA-N 0 0 303.412 3.935 50 0 DHAARN COc1cc(Cl)c(NC(=O)N2CCC(C)(C)C2)cc1OC ZINC000095403789 185355138 /nfs/dbraw/zinc/35/51/38/185355138.db2.gz HGTZIOQOAKIQDF-UHFFFAOYSA-N 0 0 312.797 3.621 50 0 DHAARN CCC[C@H](NC(=O)N[C@@H](CC)c1ccncc1)c1ccccn1 ZINC000095404581 185355479 /nfs/dbraw/zinc/35/54/79/185355479.db2.gz BIBHSNXTPFTGOQ-RDJZCZTQSA-N 0 0 312.417 3.768 50 0 DHAARN CN(C(=O)Nc1ccc(SC(F)F)cc1)C1CCOCC1 ZINC000095405887 185355742 /nfs/dbraw/zinc/35/57/42/185355742.db2.gz XRCDQJZAUVJBQP-UHFFFAOYSA-N 0 0 316.373 3.644 50 0 DHAARN CC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 ZINC000095407206 185356332 /nfs/dbraw/zinc/35/63/32/185356332.db2.gz VZNZXGQBLLTLOS-ZFWWWQNUSA-N 0 0 315.369 3.617 50 0 DHAARN Cc1[nH]ccc1C(=O)NCc1cc(Oc2ccccc2C)ccn1 ZINC000095408488 185356697 /nfs/dbraw/zinc/35/66/97/185356697.db2.gz XQNWVRSKUMWUJY-UHFFFAOYSA-N 0 0 321.380 3.749 50 0 DHAARN O=C(NCCSC1=Nc2ccccc2CS1)C1CCCC1 ZINC000095411691 185357402 /nfs/dbraw/zinc/35/74/02/185357402.db2.gz GCOZNVRWDACCBV-UHFFFAOYSA-N 0 0 320.483 3.961 50 0 DHAARN CCc1cccc(N(C#N)Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000095411502 185357499 /nfs/dbraw/zinc/35/74/99/185357499.db2.gz UXNCRLCCSLPEEM-UHFFFAOYSA-N 0 0 322.343 3.926 50 0 DHAARN O=C(CCCSc1ccccc1)NCC1(CCO)CCCC1 ZINC000095416049 185359130 /nfs/dbraw/zinc/35/91/30/185359130.db2.gz KSWNMIKFUKTGTR-UHFFFAOYSA-N 0 0 321.486 3.618 50 0 DHAARN Cc1ncsc1CCC(=O)NCc1ccc2sccc2c1 ZINC000082155888 192362771 /nfs/dbraw/zinc/36/27/71/192362771.db2.gz VCPFEYGVYKJQBQ-UHFFFAOYSA-N 0 0 316.451 3.915 50 0 DHAARN CC(C)(C)C(=O)c1ccsc1NC(=O)c1ncncc1Cl ZINC000095427932 185362022 /nfs/dbraw/zinc/36/20/22/185362022.db2.gz DWISAGNGNSGMKM-UHFFFAOYSA-N 0 0 323.805 3.673 50 0 DHAARN Cn1cc(CNc2cccc(CSc3ccccn3)c2)cn1 ZINC000095428860 185362342 /nfs/dbraw/zinc/36/23/42/185362342.db2.gz SATSEFFWRPXUIP-UHFFFAOYSA-N 0 0 310.426 3.720 50 0 DHAARN C[S@@](=O)Cc1cccc(NCc2csc(C(C)(C)C)n2)c1 ZINC000095429177 185362529 /nfs/dbraw/zinc/36/25/29/185362529.db2.gz ZABMIBXSBKDEAT-NRFANRHFSA-N 0 0 322.499 3.931 50 0 DHAARN CO[C@H](C)c1cccc(NCc2ccc([S@](C)=O)cc2)c1 ZINC000095428992 185362721 /nfs/dbraw/zinc/36/27/21/185362721.db2.gz WIIDWTREUDMRSH-LRTDBIEQSA-N 0 0 303.427 3.744 50 0 DHAARN O=C(CSc1cccs1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000095430468 185362838 /nfs/dbraw/zinc/36/28/38/185362838.db2.gz FLVQJTJZHSBULD-IAOVAPTHSA-N 0 0 315.463 3.685 50 0 DHAARN CCc1ncsc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000095431332 185363300 /nfs/dbraw/zinc/36/33/00/185363300.db2.gz PVOPOHNYFJTRSR-UHFFFAOYSA-N 0 0 304.268 3.514 50 0 DHAARN Cc1cccc(CN(Cc2cccnc2)Cc2cccc(C)n2)n1 ZINC000095432255 185363454 /nfs/dbraw/zinc/36/34/54/185363454.db2.gz RFFKVHYKCOUZDB-UHFFFAOYSA-N 0 0 318.424 3.691 50 0 DHAARN O=C(NCc1ccccc1)c1cccc(NCc2cncs2)c1 ZINC000095447461 185367758 /nfs/dbraw/zinc/36/77/58/185367758.db2.gz JXQPSCCIVBMVMS-UHFFFAOYSA-N 0 0 323.421 3.685 50 0 DHAARN Cc1ccc(-c2ncc(CNc3cnccc3CO)s2)cc1 ZINC000095448707 185368449 /nfs/dbraw/zinc/36/84/49/185368449.db2.gz JADXHCWSIBDRGR-UHFFFAOYSA-N 0 0 311.410 3.618 50 0 DHAARN C[C@@H](OC(=O)c1ncoc1[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000095449801 185368794 /nfs/dbraw/zinc/36/87/94/185368794.db2.gz UXWPXZLFAYCCJP-RNCFNFMXSA-N 0 0 323.295 3.722 50 0 DHAARN COCc1cccc(CN2[C@@H](C)COC[C@@H]2c2ccccc2)c1 ZINC000095452651 185369238 /nfs/dbraw/zinc/36/92/38/185369238.db2.gz RVFSXSPPCBDAMU-OXJNMPFZSA-N 0 0 311.425 3.795 50 0 DHAARN CSc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccn1 ZINC000095452240 185369260 /nfs/dbraw/zinc/36/92/60/185369260.db2.gz CROYRJXMQAMTBO-KBPBESRZSA-N 0 0 302.374 3.685 50 0 DHAARN COC(=O)CC(C)(C)CC(=O)Nc1sc2c(c1C)CCCC2 ZINC000095453133 185369566 /nfs/dbraw/zinc/36/95/66/185369566.db2.gz OVETUHPIMGYBPO-UHFFFAOYSA-N 0 0 323.458 3.853 50 0 DHAARN Cc1ccsc1COC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000095465818 185371833 /nfs/dbraw/zinc/37/18/33/185371833.db2.gz FTGUBCWUDJXIKX-UHFFFAOYSA-N 0 0 315.394 3.762 50 0 DHAARN COc1ccc(SCC(=O)Nc2cc(Cl)ncc2C)cc1 ZINC000095457247 185370340 /nfs/dbraw/zinc/37/03/40/185370340.db2.gz QNEWEOTYOSKEHW-UHFFFAOYSA-N 0 0 322.817 3.783 50 0 DHAARN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc(C)c(C)c2)c1 ZINC000095463196 185371210 /nfs/dbraw/zinc/37/12/10/185371210.db2.gz CAQVEEDUQHCSHG-MOPGFXCFSA-N 0 0 309.409 3.988 50 0 DHAARN Cc1nnc(-c2ccc(C(=O)Nc3c(C)cc(C)nc3C)cc2)o1 ZINC000097014479 185397314 /nfs/dbraw/zinc/39/73/14/185397314.db2.gz ZVFIXIARDBDJEF-UHFFFAOYSA-N 0 0 322.368 3.618 50 0 DHAARN CC(=O)N1CCc2cc(N[C@H](C)c3cnn(C(C)C)c3)ccc21 ZINC000097037142 185401122 /nfs/dbraw/zinc/40/11/22/185401122.db2.gz XJHFDWWJYMERBL-CYBMUJFWSA-N 0 0 312.417 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/nfs/dbraw/zinc/02/11/65/191021165.db2.gz VQUUFSPQNDVOMG-UHFFFAOYSA-N 0 0 322.334 3.618 50 0 DHAARN CC[C@@H](c1ccncc1)n1ccnc1-c1ccc(OC)cc1OC ZINC000071750828 191022610 /nfs/dbraw/zinc/02/26/10/191022610.db2.gz WOSIZTJBBAFQBI-KRWDZBQOSA-N 0 0 323.396 3.962 50 0 DHAARN CC[C@@H](Nc1nccc(C2CCCC2)n1)c1cn2cccnc2n1 ZINC000071751615 191023306 /nfs/dbraw/zinc/02/33/06/191023306.db2.gz HGNIMSRLLBDMCY-CQSZACIVSA-N 0 0 322.416 3.740 50 0 DHAARN CCc1nc(C)sc1C(=O)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071765403 191027366 /nfs/dbraw/zinc/02/73/66/191027366.db2.gz WQSLDWKLNBDGLW-LLZFXZEUSA-N 0 0 304.459 3.522 50 0 DHAARN Cn1ccnc1-c1nccn1C(c1ccccc1)c1ccccc1 ZINC000071765392 191027438 /nfs/dbraw/zinc/02/74/38/191027438.db2.gz XEBXWYPJDVSURN-UHFFFAOYSA-N 0 0 314.392 3.921 50 0 DHAARN CN(C)N1c2cc(Cl)ccc2[C@@H](c2ccc(Cl)cc2)C1=O ZINC000071767476 191028758 /nfs/dbraw/zinc/02/87/58/191028758.db2.gz JBTVMRUXIHFCDY-OAHLLOKOSA-N 0 0 321.207 3.949 50 0 DHAARN COc1ccc([C@@H](O)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000071767109 191029705 /nfs/dbraw/zinc/02/97/05/191029705.db2.gz UJJIBJRDEZHVNN-VQTJNVASSA-N 0 0 305.377 3.956 50 0 DHAARN Cc1cc(C)n(-c2cccc(-c3nccn3-c3cccnc3)c2)n1 ZINC000072143304 191049008 /nfs/dbraw/zinc/04/90/08/191049008.db2.gz FZLIMNFIOVMUSC-UHFFFAOYSA-N 0 0 315.380 3.737 50 0 DHAARN CCc1nc2c(cnn2C)c(N[C@@H](CC)c2cccs2)n1 ZINC000072143795 191049154 /nfs/dbraw/zinc/04/91/54/191049154.db2.gz MGXBYBQXTDDDEX-NSHDSACASA-N 0 0 301.419 3.550 50 0 DHAARN OCCNc1cc(-c2ccccc2C(F)(F)F)c2cc[nH]c2n1 ZINC000072147827 191052654 /nfs/dbraw/zinc/05/26/54/191052654.db2.gz KNZBFQPVEFXART-UHFFFAOYSA-N 0 0 321.302 3.653 50 0 DHAARN Clc1cc2c(cc1CN1CCC[C@H]1c1ccccn1)OCO2 ZINC000072148433 191054377 /nfs/dbraw/zinc/05/43/77/191054377.db2.gz HUIUDFZNFLODAX-HNNXBMFYSA-N 0 0 316.788 3.801 50 0 DHAARN CCn1cc(CN2CCC(Oc3ccccc3Cl)CC2)cn1 ZINC000072150728 191055841 /nfs/dbraw/zinc/05/58/41/191055841.db2.gz XKJABPXVFIEYAN-UHFFFAOYSA-N 0 0 319.836 3.600 50 0 DHAARN COC(=O)c1cc(CN(C)[C@@H](C)c2nc(C)sc2C)cs1 ZINC000072158368 191060518 /nfs/dbraw/zinc/06/05/18/191060518.db2.gz BPQKDDNUHXRZBU-VIFPVBQESA-N 0 0 324.471 3.801 50 0 DHAARN Fc1ccc(N[C@@H]2CCCN(c3cnc4ccccc4n3)C2)cc1 ZINC000072167882 191067194 /nfs/dbraw/zinc/06/71/94/191067194.db2.gz IFBRSNBXYUIJHE-MRXNPFEDSA-N 0 0 322.387 3.850 50 0 DHAARN OCCc1ccccc1-n1ccnc1-c1ccnc2ccccc21 ZINC000072174598 191070912 /nfs/dbraw/zinc/07/09/12/191070912.db2.gz NBBSLQCJMMUSQX-UHFFFAOYSA-N 0 0 315.376 3.622 50 0 DHAARN Cc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000072194163 191073328 /nfs/dbraw/zinc/07/33/28/191073328.db2.gz MNYKXVMLBQMOEE-UHFFFAOYSA-N 0 0 303.402 3.825 50 0 DHAARN C[C@@H](CCc1ccccc1)NS(=O)(=O)CC1CCCCC1 ZINC000072230343 191078154 /nfs/dbraw/zinc/07/81/54/191078154.db2.gz QHAHRNJXMHNOGJ-HNNXBMFYSA-N 0 0 309.475 3.507 50 0 DHAARN C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1Cl ZINC000072230383 191078630 /nfs/dbraw/zinc/07/86/30/191078630.db2.gz FJALTBSYZVTGGJ-GFCCVEGCSA-N 0 0 315.866 3.901 50 0 DHAARN Cc1csc([C@H]2CCCCN2C(=O)COc2ccccc2)n1 ZINC000072232491 191079205 /nfs/dbraw/zinc/07/92/05/191079205.db2.gz QCZHUFPXVSOBSA-OAHLLOKOSA-N 0 0 316.426 3.584 50 0 DHAARN Fc1ccc(CCNc2ncnc3cc(F)c(F)cc32)cc1 ZINC000149520479 186051217 /nfs/dbraw/zinc/05/12/17/186051217.db2.gz XLNZUHDTIBKLQH-UHFFFAOYSA-N 0 0 303.287 3.702 50 0 DHAARN CCOc1cc(C(=O)NCCc2ccccc2)cc2occc21 ZINC000072240163 191084510 /nfs/dbraw/zinc/08/45/10/191084510.db2.gz OOCRDJVEGJFZCS-UHFFFAOYSA-N 0 0 309.365 3.804 50 0 DHAARN CC1CCC(N(C(=O)Cc2ccc3c(c2)CCO3)C2CC2)CC1 ZINC000084689298 192455810 /nfs/dbraw/zinc/45/58/10/192455810.db2.gz UAZHZSTVAWTBMA-UHFFFAOYSA-N 0 0 313.441 3.734 50 0 DHAARN Cc1nc([C@H](C)NC(=O)NC2(c3ccccc3)CCC2)cs1 ZINC000072271582 191093684 /nfs/dbraw/zinc/09/36/84/191093684.db2.gz YZUVOZWMCQACFS-LBPRGKRZSA-N 0 0 315.442 3.891 50 0 DHAARN CCc1nc([C@@H]2CCCN2Cc2nc3ccccc3s2)no1 ZINC000072279357 191100359 /nfs/dbraw/zinc/10/03/59/191100359.db2.gz SWQWYMKDLRGRDK-LBPRGKRZSA-N 0 0 314.414 3.579 50 0 DHAARN CCc1csc([C@@H]2CCCN(C(=O)CCc3ccco3)C2)n1 ZINC000072282288 191102976 /nfs/dbraw/zinc/10/29/76/191102976.db2.gz IRHLSAFSEAETNH-CYBMUJFWSA-N 0 0 318.442 3.637 50 0 DHAARN O=c1ccn(Cc2cc(-c3ccccc3)no2)c2ccccc12 ZINC000072294838 191110972 /nfs/dbraw/zinc/11/09/72/191110972.db2.gz SOGZRYOIXHTZEQ-UHFFFAOYSA-N 0 0 302.333 3.705 50 0 DHAARN Cc1csc([C@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)n1 ZINC000072298762 191114382 /nfs/dbraw/zinc/11/43/82/191114382.db2.gz IAHFYGUCOZCAKB-GJZGRUSLSA-N 0 0 322.474 3.507 50 0 DHAARN CCn1ncnc1CS[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000225590972 186281224 /nfs/dbraw/zinc/28/12/24/186281224.db2.gz RVYIJBXIHZNAQT-JTQLQIEISA-N 0 0 313.373 3.894 50 0 DHAARN Cc1ccccc1NC(=O)NC[C@@H](c1ccsc1)N1CCC1 ZINC000225595837 186281801 /nfs/dbraw/zinc/28/18/01/186281801.db2.gz JOPNGLNRTSUZIQ-INIZCTEOSA-N 0 0 315.442 3.625 50 0 DHAARN CC(C)c1cnc(S[C@H](C)c2nnnn2C2CC2)n1C1CC1 ZINC000225624164 186284298 /nfs/dbraw/zinc/28/42/98/186284298.db2.gz GCMMMOKWMWZPPQ-SNVBAGLBSA-N 0 0 318.450 3.516 50 0 DHAARN Cc1ccccc1NC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225679648 186288987 /nfs/dbraw/zinc/28/89/87/186288987.db2.gz ADMLJIZIEKXRLO-OAHLLOKOSA-N 0 0 324.380 3.745 50 0 DHAARN C[C@H](Oc1ccccc1C(N)=O)c1ncc(-c2ccccc2)o1 ZINC000072311179 191119220 /nfs/dbraw/zinc/11/92/20/191119220.db2.gz KFXWGTYQCWWACO-LBPRGKRZSA-N 0 0 308.337 3.581 50 0 DHAARN COc1ccc(NC(=O)Cc2cn(C(C)C)c3ccccc23)cn1 ZINC000072325449 191123232 /nfs/dbraw/zinc/12/32/32/191123232.db2.gz IGYWTJFVGCRDSG-UHFFFAOYSA-N 0 0 323.396 3.807 50 0 biogenic DHAARN Cc1cccc(-c2n[nH]cc2C(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000072329145 191124361 /nfs/dbraw/zinc/12/43/61/191124361.db2.gz DZJWTMLODHEEHH-GOSISDBHSA-N 0 0 317.392 3.802 50 0 DHAARN Cc1cccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)c1 ZINC000072330112 191124596 /nfs/dbraw/zinc/12/45/96/191124596.db2.gz IFJLRYKHVDVHQN-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000000030314 180671809 /nfs/dbraw/zinc/67/18/09/180671809.db2.gz IUTUCRDQOQDGED-UHFFFAOYSA-N 0 0 303.745 3.826 50 0 DHAARN O=C(CSc1ccccn1)Nc1ccccc1Br ZINC000000031465 180672107 /nfs/dbraw/zinc/67/21/07/180672107.db2.gz UALPYGISOQPJQA-UHFFFAOYSA-N 0 0 323.215 3.575 50 0 DHAARN O=C(CSc1cccc2cccnc21)NCc1ccccc1 ZINC000000036113 180673905 /nfs/dbraw/zinc/67/39/05/180673905.db2.gz ZKWPUPUWXISMAA-UHFFFAOYSA-N 0 0 308.406 3.643 50 0 DHAARN Cc1cc2nc(-c3ccccc3)cc(NCc3cc(C)on3)n2n1 ZINC000072411689 191153489 /nfs/dbraw/zinc/15/34/89/191153489.db2.gz UFGVLOHWTVFUFK-UHFFFAOYSA-N 0 0 319.368 3.613 50 0 DHAARN Clc1cccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 ZINC000000068115 180682928 /nfs/dbraw/zinc/68/29/28/180682928.db2.gz QJXQCUKQAXZZPY-UHFFFAOYSA-N 0 0 300.701 3.786 50 0 DHAARN COc1cccc(NC2=NC(=O)SC2=Cc2ccncc2)c1 ZINC000072401065 191150537 /nfs/dbraw/zinc/15/05/37/191150537.db2.gz SROLVTGNCJQHOH-ZROIWOOFSA-N 0 0 311.366 3.809 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)c3cccc(Cl)c3)ccc12 ZINC000000048259 180677669 /nfs/dbraw/zinc/67/76/69/180677669.db2.gz ZXADCOLCKVCBPU-UHFFFAOYSA-N 0 0 314.724 3.974 50 0 biogenic,in-vitro DHAARN Cc1nc(C(=O)Nc2nc(C)c(C)s2)c(CC(C)C)s1 ZINC000072403645 191151992 /nfs/dbraw/zinc/15/19/92/191151992.db2.gz YMMBPKMREXPOHK-UHFFFAOYSA-N 0 0 309.460 3.976 50 0 DHAARN CCC[C@@H]1CCCN1C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072420015 191156685 /nfs/dbraw/zinc/15/66/85/191156685.db2.gz WJXAQFHDCICZSY-QGZVFWFLSA-N 0 0 303.446 3.795 50 0 DHAARN CC[C@@H](C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000074121 180684662 /nfs/dbraw/zinc/68/46/62/180684662.db2.gz HXBPKMZXDPJHMI-SECBINFHSA-N 0 0 309.822 3.767 50 0 DHAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)C(F)(F)F ZINC000000075461 180684972 /nfs/dbraw/zinc/68/49/72/180684972.db2.gz TYXNPGYWYLLYEM-UHFFFAOYSA-N 0 0 301.186 3.605 50 0 DHAARN Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c1C ZINC000000082094 180686655 /nfs/dbraw/zinc/68/66/55/180686655.db2.gz KGTFKTCAPXXFGA-ZDUSSCGKSA-N 0 0 315.438 3.752 50 0 DHAARN CCOc1ccc(S(=O)(=O)NCC(C)C)cc1[C@H](C)CC ZINC000072414543 191155795 /nfs/dbraw/zinc/15/57/95/191155795.db2.gz IRKKZCBISHKFIH-CYBMUJFWSA-N 0 0 313.463 3.533 50 0 DHAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccccc3)c12 ZINC000000082597 180687246 /nfs/dbraw/zinc/68/72/46/180687246.db2.gz NWQDUTRAIYCDAS-UHFFFAOYSA-N 0 0 322.360 3.926 50 0 DHAARN COC(=O)c1ccc(Oc2ncnc3sc(C)c(C)c32)cc1 ZINC000000087744 180688078 /nfs/dbraw/zinc/68/80/78/180688078.db2.gz YTFUKDOVZBRZOR-UHFFFAOYSA-N 0 0 314.366 3.887 50 0 DHAARN C[C@H]1C(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C[C@@H]1C ZINC000000106093 180695088 /nfs/dbraw/zinc/69/50/88/180695088.db2.gz BQFAPGKABHKJDF-UONOGXRCSA-N 0 0 317.392 3.945 50 0 DHAARN CCOc1cccc(-c2nc3cc(Cl)ccc3c(=O)o2)c1 ZINC000000110528 180696504 /nfs/dbraw/zinc/69/65/04/180696504.db2.gz VUQYUWNMOGAKOG-UHFFFAOYSA-N 0 0 301.729 3.907 50 0 DHAARN CCSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 ZINC000000110791 180696674 /nfs/dbraw/zinc/69/66/74/180696674.db2.gz JBUQNODYIZMFIO-UHFFFAOYSA-N 0 0 312.394 3.506 50 0 DHAARN Cc1cc(Nc2cc(C(F)(F)F)ccc2Cl)nc(N)n1 ZINC000072437614 191166305 /nfs/dbraw/zinc/16/63/05/191166305.db2.gz HAUJDTSPADRKDH-UHFFFAOYSA-N 0 0 302.687 3.783 50 0 DHAARN O=C1c2cccc3cccc(c32)C(=O)N1c1nc2ccccc2[nH]1 ZINC000000134111 180704534 /nfs/dbraw/zinc/70/45/34/180704534.db2.gz FJPFCRRPZIRNSV-UHFFFAOYSA-N 0 0 313.316 3.517 50 0 DHAARN CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1 ZINC000000138795 180705563 /nfs/dbraw/zinc/70/55/63/180705563.db2.gz NSNHONPMCQYMNT-UHFFFAOYSA-N 0 0 312.365 3.863 50 0 DHAARN CCn1c(CCNc2ccc3cc[nH]c3n2)nc2ccccc21 ZINC000072462778 191173430 /nfs/dbraw/zinc/17/34/30/191173430.db2.gz MZZFESCJINRYBH-UHFFFAOYSA-N 0 0 305.385 3.587 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(OC)cc2)n1 ZINC000000145891 180707596 /nfs/dbraw/zinc/70/75/96/180707596.db2.gz GSFBLAPKUOMYIP-UHFFFAOYSA-N 0 0 323.352 3.559 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000000145403 180707723 /nfs/dbraw/zinc/70/77/23/180707723.db2.gz BFJBOFZAPIEZCG-OAHLLOKOSA-N 0 0 317.772 3.735 50 0 DHAARN Cc1cc2nc(C(C)C)cc(N(C)Cc3cccc(O)c3)n2n1 ZINC000072463242 191173912 /nfs/dbraw/zinc/17/39/12/191173912.db2.gz ZOMNYQLBGHFSBU-UHFFFAOYSA-N 0 0 310.401 3.503 50 0 DHAARN c1cc2n(c1)[C@H](c1ccc3c(c1)OCCO3)Nc1ccccc1-2 ZINC000000158229 180711914 /nfs/dbraw/zinc/71/19/14/180711914.db2.gz JTYHEIYSAAIMGZ-LJQANCHMSA-N 0 0 304.349 3.899 50 0 DHAARN Cc1ccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)c(C)c1 ZINC000000190343 180720405 /nfs/dbraw/zinc/72/04/05/180720405.db2.gz ZPZMFGWNTZLVSN-UHFFFAOYSA-N 0 0 313.426 3.584 50 0 DHAARN CCCC(=O)c1c(Nc2ccc(OC)cc2)cc(C)oc1=O ZINC000000201735 180723559 /nfs/dbraw/zinc/72/35/59/180723559.db2.gz DXRKYHMXLYUSSN-UHFFFAOYSA-N 0 0 301.342 3.683 50 0 DHAARN C[C@@H]1CCCCN1C(=O)CCn1c2ccccc2oc1=S ZINC000000224674 180731896 /nfs/dbraw/zinc/73/18/96/180731896.db2.gz YNDYOBDFONGCMN-GFCCVEGCSA-N 0 0 304.415 3.755 50 0 biogenic DHAARN O=C(COc1cccc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000000259582 180740322 /nfs/dbraw/zinc/74/03/22/180740322.db2.gz QQFGMEOICLIEPL-UHFFFAOYSA-N 0 0 321.332 3.586 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000000288314 180748803 /nfs/dbraw/zinc/74/88/03/180748803.db2.gz SNJDBOHOGUAFPX-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN O=S(=O)(Nc1ccccc1Cl)c1ccccc1Cl ZINC000000295261 180750159 /nfs/dbraw/zinc/75/01/59/180750159.db2.gz IKJZEAQSFDCBPY-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN O=C1O[C@](Nc2ccc(O)cc2)(c2ccccc2)c2ccccc21 ZINC000000272450 180744514 /nfs/dbraw/zinc/74/45/14/180744514.db2.gz UFYHQVLIPONHFG-HXUWFJFHSA-N 0 0 317.344 3.876 50 0 DHAARN CC(C)(C)CC(=O)Nc1ccc(I)cc1 ZINC000000337757 180761224 /nfs/dbraw/zinc/76/12/24/180761224.db2.gz IOCFXZODCAASBW-UHFFFAOYSA-N 0 0 317.170 3.666 50 0 DHAARN CCN(CC)C(=O)c1c(-c2ccccc2)csc1NC(C)=O ZINC000000346151 180762811 /nfs/dbraw/zinc/76/28/11/180762811.db2.gz RUDSSILHSDPLMR-UHFFFAOYSA-N 0 0 316.426 3.856 50 0 DHAARN COc1cccc(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000000318760 180758733 /nfs/dbraw/zinc/75/87/33/180758733.db2.gz KMBIRLBKQXJFRA-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN S=C(NCc1ccncc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000372117 180769208 /nfs/dbraw/zinc/76/92/08/180769208.db2.gz ZKMUSVGIIHVYMN-UHFFFAOYSA-N 0 0 312.225 3.875 50 0 DHAARN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(C)o2)C(=O)O1 ZINC000000382040 180772056 /nfs/dbraw/zinc/77/20/56/180772056.db2.gz IMAMAQXMPRPGSX-JYRVWZFOSA-N 0 0 317.728 3.595 50 0 DHAARN Cc1cc(C)nc(Sc2ncnc3sc4c(c32)CCC4)n1 ZINC000000383012 180773127 /nfs/dbraw/zinc/77/31/27/180773127.db2.gz MYSIXZKTVYYSLL-UHFFFAOYSA-N 0 0 314.439 3.738 50 0 DHAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1 ZINC000000349938 180763707 /nfs/dbraw/zinc/76/37/07/180763707.db2.gz OFOCYFHKXGXVAH-UHFFFAOYSA-N 0 0 319.389 3.818 50 0 DHAARN Clc1ccccc1[C@H]1C[C@H](c2ccco2)n2ncnc2N1 ZINC000000350198 180764024 /nfs/dbraw/zinc/76/40/24/180764024.db2.gz MLMQEBHBKVYIKT-CHWSQXEVSA-N 0 0 300.749 3.671 50 0 DHAARN CC1CCN(C(=S)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000000358805 180766030 /nfs/dbraw/zinc/76/60/30/180766030.db2.gz KDLAILAXWBGDFH-UHFFFAOYSA-N 0 0 318.486 3.731 50 0 DHAARN CCc1cc(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 ZINC000000406885 180778391 /nfs/dbraw/zinc/77/83/91/180778391.db2.gz BAIMXUOZUWQYBM-UHFFFAOYSA-N 0 0 308.333 3.617 50 0 DHAARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000000417787 180782627 /nfs/dbraw/zinc/78/26/27/180782627.db2.gz JGDYLQNDQNNDSC-UHFFFAOYSA-N 0 0 314.341 3.851 50 0 DHAARN CC[C@@H](C)N(C(C)=O)c1ccc(N(C(C)=O)[C@H](C)CC)cc1 ZINC000000390437 180774966 /nfs/dbraw/zinc/77/49/66/180774966.db2.gz RKKIUOJPJCINRW-ZIAGYGMSSA-N 0 0 304.434 3.989 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000000396875 180776692 /nfs/dbraw/zinc/77/66/92/180776692.db2.gz YKJBODNDQOEPBI-RKDXNWHRSA-N 0 0 303.189 3.635 50 0 DHAARN CCOc1ccc(OCC)c(NC(=O)COc2ccccc2)c1 ZINC000000395041 180776711 /nfs/dbraw/zinc/77/67/11/180776711.db2.gz UTQMJPRTZRORDE-UHFFFAOYSA-N 0 0 315.369 3.502 50 0 DHAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000000423623 180785144 /nfs/dbraw/zinc/78/51/44/180785144.db2.gz NFEUAZUWJRABTR-VIFPVBQESA-N 0 0 323.190 3.632 50 0 DHAARN Cc1ccc(COc2ccc(CO)cc2Br)cc1 ZINC000000476533 180803109 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319.360 3.844 50 0 DHAARN Cn1c2ccccc2n(CCOc2ccc3ccccc3c2)c1=N ZINC000019996034 182175636 /nfs/dbraw/zinc/17/56/36/182175636.db2.gz JKHFSBMIXIIYRU-UHFFFAOYSA-N 0 0 317.392 3.691 50 0 DHAARN CCC[C@H](NC(=O)c1cccc(-n2cnnc2)c1)c1ccccc1 ZINC000019938932 182167908 /nfs/dbraw/zinc/16/79/08/182167908.db2.gz SXXIATXUDYBWNC-SFHVURJKSA-N 0 0 320.396 3.539 50 0 DHAARN Cc1noc(C)c1-c1ccc(NC(=O)c2cccnc2)c(C)c1 ZINC000020149313 182192305 /nfs/dbraw/zinc/19/23/05/182192305.db2.gz VSORDRKCKYFFGD-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN Cc1c(-c2ccccc2)nn(C)c1NC(=O)N1CC=C(C)CC1 ZINC000097632137 193741435 /nfs/dbraw/zinc/74/14/35/193741435.db2.gz JFGMAKHOERWXFD-UHFFFAOYSA-N 0 0 310.401 3.579 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2ccccc2)n1Cc1cccs1 ZINC000020319415 182206529 /nfs/dbraw/zinc/20/65/29/182206529.db2.gz VJWTVAWBRPDBEI-QGZVFWFLSA-N 0 0 321.405 3.910 50 0 DHAARN CSc1cccc(NC(=O)c2noc3c2CCCCC3)c1 ZINC000020275325 182202554 /nfs/dbraw/zinc/20/25/54/182202554.db2.gz FLZCNTAYVHNJET-UHFFFAOYSA-N 0 0 302.399 3.918 50 0 DHAARN O=c1nc(-c2ccncc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000020369766 182212548 /nfs/dbraw/zinc/21/25/48/182212548.db2.gz FDHHBDNUQXFIGF-UHFFFAOYSA-N 0 0 323.352 3.853 50 0 DHAARN CCCCCOC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 ZINC000020375214 182212789 /nfs/dbraw/zinc/21/27/89/182212789.db2.gz SDMKHOWVSIWISF-KXBFYZLASA-N 0 0 315.413 3.880 50 0 DHAARN Cc1cccc(-c2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c1 ZINC000020417574 182215806 /nfs/dbraw/zinc/21/58/06/182215806.db2.gz QXFXTTXEZXRDNW-ZIAGYGMSSA-N 0 0 302.443 3.728 50 0 DHAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)NC(C)(C)C ZINC000020428550 182216503 /nfs/dbraw/zinc/21/65/03/182216503.db2.gz SVYJZFXSZNNHOF-UHFFFAOYSA-N 0 0 318.442 3.867 50 0 DHAARN Brc1ccc2c(c1)CN(Cc1ccccc1)CO2 ZINC000020437099 182217036 /nfs/dbraw/zinc/21/70/36/182217036.db2.gz FURVLZKWBDTECA-UHFFFAOYSA-N 0 0 304.187 3.801 50 0 DHAARN C[C@H](C1CC1)n1[nH]cc2nc(-c3ccc(O)cc3Cl)nc1-2 ZINC000020448850 182218734 /nfs/dbraw/zinc/21/87/34/182218734.db2.gz 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193760405 /nfs/dbraw/zinc/76/04/05/193760405.db2.gz YFWAJHDIVCIYFB-MRXNPFEDSA-N 0 0 302.381 3.508 50 0 DHAARN CC(C)OC(=O)C[C@H](NC(=O)C1CCC1)c1ccccc1Cl ZINC000021972085 182300971 /nfs/dbraw/zinc/30/09/71/182300971.db2.gz HPTKWRCXIJUHPU-HNNXBMFYSA-N 0 0 323.820 3.639 50 0 DHAARN Cc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1C1CC1 ZINC000022277726 182316276 /nfs/dbraw/zinc/31/62/76/182316276.db2.gz TXEHXTYKVAKEEM-UHFFFAOYSA-N 0 0 314.454 3.742 50 0 DHAARN CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CC[C@@H](C)C2 ZINC000022321848 182317506 /nfs/dbraw/zinc/31/75/06/182317506.db2.gz JNBMBTGSIVFDPI-SNVBAGLBSA-N 0 0 321.442 3.788 50 0 DHAARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N2C)oc1C ZINC000022333367 182318998 /nfs/dbraw/zinc/31/89/98/182318998.db2.gz CPFMFAPBIFBNDW-XNTDXEJSSA-N 0 0 312.394 3.501 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cn1 ZINC000022415282 182320599 /nfs/dbraw/zinc/32/05/99/182320599.db2.gz HJAUSUMWMMHPCR-UHFFFAOYSA-N 0 0 320.396 3.718 50 0 DHAARN COc1ccccc1CNC(=O)c1cc(Cl)sc1Cl ZINC000022397822 182320956 /nfs/dbraw/zinc/32/09/56/182320956.db2.gz ZMGAFJIMSMPNLP-UHFFFAOYSA-N 0 0 316.209 3.994 50 0 DHAARN Cc1noc(-c2ccco2)c1C(=O)NCc1cccc(Cl)c1 ZINC000022632768 182329081 /nfs/dbraw/zinc/32/90/81/182329081.db2.gz ZTWPEARHAPNMOS-UHFFFAOYSA-N 0 0 316.744 3.826 50 0 DHAARN CC[C@@H](COC)NC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022638503 182329824 /nfs/dbraw/zinc/32/98/24/182329824.db2.gz KZNZWEIABWJTIS-INIZCTEOSA-N 0 0 324.380 3.650 50 0 DHAARN CN(C)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cn1 ZINC000022419052 182321620 /nfs/dbraw/zinc/32/16/20/182321620.db2.gz KDRCKSVTZPTDNI-UHFFFAOYSA-N 0 0 315.442 3.730 50 0 DHAARN CCCC(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000022462885 182322281 /nfs/dbraw/zinc/32/22/81/182322281.db2.gz MBOAPRKNPLOHIH-UHFFFAOYSA-N 0 0 308.341 3.537 50 0 DHAARN COCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000022845277 182336769 /nfs/dbraw/zinc/33/67/69/182336769.db2.gz GGSLLBSTIQWRBR-UHFFFAOYSA-N 0 0 314.366 3.674 50 0 DHAARN CC(C)(C)OC(=O)n1cc(Br)c2c1cccc2C=O ZINC000022865110 182338494 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CCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1 ZINC000040088761 183032526 /nfs/dbraw/zinc/03/25/26/183032526.db2.gz ONLJYRGIROIOGQ-UHFFFAOYSA-N 0 0 307.353 3.523 50 0 DHAARN Cc1cccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1C ZINC000040095296 183034169 /nfs/dbraw/zinc/03/41/69/183034169.db2.gz JJLOYWYDGLTALI-INIZCTEOSA-N 0 0 318.804 3.812 50 0 DHAARN CCOc1ccccc1NC(=O)NCCCOC1CCCCC1 ZINC000040098753 183035007 /nfs/dbraw/zinc/03/50/07/183035007.db2.gz XMISGGJREDPQCO-UHFFFAOYSA-N 0 0 320.433 3.946 50 0 DHAARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C[C@H]1C=CCC1 ZINC000040108484 183037203 /nfs/dbraw/zinc/03/72/03/183037203.db2.gz WDYHRMDSDNDQSU-STQMWFEESA-N 0 0 322.246 3.853 50 0 DHAARN Cc1cccc(C(=O)Nc2ncc(Cc3ccccc3C)s2)n1 ZINC000040111728 183037387 /nfs/dbraw/zinc/03/73/87/183037387.db2.gz LCEOWMFEZUEDIG-UHFFFAOYSA-N 0 0 323.421 3.998 50 0 DHAARN CC(C)Oc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000040122338 183038690 /nfs/dbraw/zinc/03/86/90/183038690.db2.gz DUCRNFRDRTXNBQ-CYBMUJFWSA-N 0 0 302.201 3.996 50 0 DHAARN Cc1c(C(=O)N2CCC[C@H]2c2cccs2)cnn1C(C)(C)C ZINC000040141317 183039246 /nfs/dbraw/zinc/03/92/46/183039246.db2.gz WDNFJSIFDLMKQT-AWEZNQCLSA-N 0 0 317.458 3.985 50 0 DHAARN O=C(Nc1ccc2ccccc2n1)c1ccccc1-n1cccn1 ZINC000040141406 183039259 /nfs/dbraw/zinc/03/92/59/183039259.db2.gz KQBAVBOOHIFMDL-UHFFFAOYSA-N 0 0 314.348 3.673 50 0 DHAARN CC(C)c1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000040141595 183039427 /nfs/dbraw/zinc/03/94/27/183039427.db2.gz QOCSLRVETGCXKW-RKDXNWHRSA-N 0 0 321.368 3.969 50 0 DHAARN C[C@@H](NC(=O)C1CCCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000040383033 183058419 /nfs/dbraw/zinc/05/84/19/183058419.db2.gz PLXNGCYHOZCTGO-SNVBAGLBSA-N 0 0 319.792 3.757 50 0 DHAARN O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCC1 ZINC000040461944 183071244 /nfs/dbraw/zinc/07/12/44/183071244.db2.gz GTMUVOATCOBRGT-UHFFFAOYSA-N 0 0 323.421 3.701 50 0 DHAARN FC(F)(F)[C@H]1CCCN(Cc2nc(-c3ccsc3)no2)C1 ZINC000040465817 183072905 /nfs/dbraw/zinc/07/29/05/183072905.db2.gz ZZVAQRYGVNHJPD-JTQLQIEISA-N 0 0 317.336 3.572 50 0 DHAARN Fc1ccc(NCc2nc(-c3ccsc3)no2)c(F)c1F ZINC000040473274 183074457 /nfs/dbraw/zinc/07/44/57/183074457.db2.gz CKQKDSYRXKHHQT-UHFFFAOYSA-N 0 0 311.288 3.828 50 0 DHAARN Cc1ccc(NC(=O)CCCc2nc(C(C)C)no2)c(F)c1 ZINC000040515690 183089014 /nfs/dbraw/zinc/08/90/14/183089014.db2.gz MMICKWSRYUKPHW-UHFFFAOYSA-N 0 0 305.353 3.602 50 0 DHAARN Cc1cc(C)c(NC(=O)NC[C@H](O)c2ccccc2F)c(C)c1 ZINC000040525455 183091948 /nfs/dbraw/zinc/09/19/48/183091948.db2.gz SKGISKQIRFOPQS-INIZCTEOSA-N 0 0 316.376 3.606 50 0 DHAARN O=C(/C=C/c1cnccn1)Nc1ccccc1N1CCCCCC1 ZINC000040554151 183100962 /nfs/dbraw/zinc/10/09/62/183100962.db2.gz XOLZZWHHRNNNPT-MDZDMXLPSA-N 0 0 322.412 3.509 50 0 DHAARN COCc1cccc(NC(=O)c2cc3sccc3n2C)c1 ZINC000040786272 183133463 /nfs/dbraw/zinc/13/34/63/183133463.db2.gz ZQZRVLFBPXQREF-UHFFFAOYSA-N 0 0 300.383 3.639 50 0 in-vitro DHAARN Cc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2)c1C ZINC000041156599 183179408 /nfs/dbraw/zinc/17/94/08/183179408.db2.gz NXAPUCCXLURINO-UHFFFAOYSA-N 0 0 317.816 3.695 50 0 DHAARN Cc1noc(C)c1CSc1nnc(C)n1C1CCCCC1 ZINC000041294573 183184307 /nfs/dbraw/zinc/18/43/07/183184307.db2.gz TVJPZKLDMGHIPY-UHFFFAOYSA-N 0 0 306.435 3.989 50 0 DHAARN CCCCCOc1ccc(S(=O)(=O)N(C)C)cc1C(C)C ZINC000041105608 183165794 /nfs/dbraw/zinc/16/57/94/183165794.db2.gz BWWMHAQRBUIKKP-UHFFFAOYSA-N 0 0 313.463 3.629 50 0 DHAARN CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccoc3C)CC2)n1 ZINC000041122036 183167719 /nfs/dbraw/zinc/16/77/19/183167719.db2.gz LGQPYKGUNPVPIX-LLVKDONJSA-N 0 0 317.389 3.504 50 0 DHAARN CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000041122612 183168481 /nfs/dbraw/zinc/16/84/81/183168481.db2.gz FANSAYKBMSBJSJ-NEPJUHHUSA-N 0 0 319.430 3.664 50 0 DHAARN Cc1ccc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cn1 ZINC000041896424 183224372 /nfs/dbraw/zinc/22/43/72/183224372.db2.gz DGRHFXGOAAUQCN-SJCJKPOMSA-N 0 0 310.397 3.911 50 0 DHAARN O=C(NCc1cccc(Br)c1)c1cccc(F)c1 ZINC000042238977 183245881 /nfs/dbraw/zinc/24/58/81/183245881.db2.gz WIPSCIWVHJPJMA-UHFFFAOYSA-N 0 0 308.150 3.518 50 0 DHAARN CC(=O)Oc1cccc(C(=O)c2ccccc2C(F)(F)F)c1 ZINC000043209845 183344159 /nfs/dbraw/zinc/34/41/59/183344159.db2.gz GAKZLDXGBORGII-UHFFFAOYSA-N 0 0 308.255 3.862 50 0 DHAARN CC(=O)Oc1ccc(C(=O)c2ccccc2Br)cc1 ZINC000043209922 183344456 /nfs/dbraw/zinc/34/44/56/183344456.db2.gz JJPADGRBOLMGKG-UHFFFAOYSA-N 0 0 319.154 3.605 50 0 DHAARN O=C(c1ccc(C2OCCO2)cc1)c1ccccc1C(F)(F)F ZINC000043212667 183344950 /nfs/dbraw/zinc/34/49/50/183344950.db2.gz AHEMQSWVFQZUBT-UHFFFAOYSA-N 0 0 322.282 3.982 50 0 DHAARN Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1cnn(C)c1 ZINC000043313438 183354124 /nfs/dbraw/zinc/35/41/24/183354124.db2.gz WVLSUEPLIMIJJP-UHFFFAOYSA-N 0 0 300.406 3.516 50 0 DHAARN COc1cc(C)c(NC(=O)N(CC(C)C)C2CC2)cc1OC ZINC000043403531 183358817 /nfs/dbraw/zinc/35/88/17/183358817.db2.gz OOTWCJXYUCMECL-UHFFFAOYSA-N 0 0 306.406 3.665 50 0 DHAARN CCCN(Cc1ccccc1)C(=O)c1cnc2onc(C)c2c1 ZINC000043092360 183336166 /nfs/dbraw/zinc/33/61/66/183336166.db2.gz DZYICOLQWIMTOT-UHFFFAOYSA-N 0 0 309.369 3.584 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 ZINC000043500849 183367500 /nfs/dbraw/zinc/36/75/00/183367500.db2.gz QKNUVMRMRQPLHX-UHFFFAOYSA-N 0 0 324.302 3.508 50 0 DHAARN CN(Cc1ccco1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000043602164 183375346 /nfs/dbraw/zinc/37/53/46/183375346.db2.gz HNKKGRKSVMQHIJ-UHFFFAOYSA-N 0 0 320.418 3.843 50 0 DHAARN CN(C)C(=O)c1cccc(NC(=O)NC2CCCCCCC2)c1 ZINC000043992961 183392386 /nfs/dbraw/zinc/39/23/86/183392386.db2.gz OUCNVLUDBGSCOM-UHFFFAOYSA-N 0 0 317.433 3.623 50 0 DHAARN CC1CCC(NC(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000044103319 183394802 /nfs/dbraw/zinc/39/48/02/183394802.db2.gz MRBKKTSCMHWAOQ-UHFFFAOYSA-N 0 0 315.417 3.735 50 0 DHAARN O=C(OCc1ccccc1)N1CCC[C@@H]2c3ccccc3N[C@@H]2C1 ZINC000044124264 183395491 /nfs/dbraw/zinc/39/54/91/183395491.db2.gz JZSIIQOESZCDJD-IEBWSBKVSA-N 0 0 322.408 3.997 50 0 DHAARN COC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000044154455 183396446 /nfs/dbraw/zinc/39/64/46/183396446.db2.gz BBCAYMRAAISDNR-UHFFFAOYSA-N 0 0 301.289 3.924 50 0 DHAARN O=c1ccc(-c2ccccc2F)nn1Cc1cccc(Cl)c1 ZINC000044903259 183454024 /nfs/dbraw/zinc/45/40/24/183454024.db2.gz RDMQEZPGDFYBRD-UHFFFAOYSA-N 0 0 314.747 3.751 50 0 DHAARN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)C1CCCCC1 ZINC000044920554 183458384 /nfs/dbraw/zinc/45/83/84/183458384.db2.gz YRJWLPIVONMWRS-MRXNPFEDSA-N 0 0 313.401 3.933 50 0 DHAARN O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1c1ccsc1 ZINC000044940778 183462866 /nfs/dbraw/zinc/46/28/66/183462866.db2.gz GLLXLFHEOSCCLR-MRXNPFEDSA-N 0 0 309.394 3.669 50 0 DHAARN O=c1ccc(-c2ccccc2F)nn1Cc1ccccc1Cl ZINC000044900498 183452252 /nfs/dbraw/zinc/45/22/52/183452252.db2.gz QAMBTAILBFITES-UHFFFAOYSA-N 0 0 314.747 3.751 50 0 DHAARN CCOCCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000044979343 183472431 /nfs/dbraw/zinc/47/24/31/183472431.db2.gz DKRICLGGROXCRZ-UHFFFAOYSA-N 0 0 312.822 3.553 50 0 DHAARN CCCc1nc(CSc2nnc(C3CC3)n2CC)cs1 ZINC000045002969 183475023 /nfs/dbraw/zinc/47/50/23/183475023.db2.gz KUNRWFYRWADFSB-UHFFFAOYSA-N 0 0 308.476 3.877 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3ccccc32)on1 ZINC000045305646 183496424 /nfs/dbraw/zinc/49/64/24/183496424.db2.gz KHEWNLPXPMDSOR-JKSUJKDBSA-N 0 0 311.385 3.517 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)N1CCC[C@H]1c1ccncc1 ZINC000045376625 183502684 /nfs/dbraw/zinc/50/26/84/183502684.db2.gz JJPFSJQUGYCQAI-SFHVURJKSA-N 0 0 321.424 3.660 50 0 DHAARN O=C(NCc1ccc(O)cc1)N1CCC[C@H]1c1ccsc1 ZINC000045529827 183514031 /nfs/dbraw/zinc/51/40/31/183514031.db2.gz RYDBRAFDWYJTNP-HNNXBMFYSA-N 0 0 302.399 3.500 50 0 DHAARN COc1ccccc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000045673746 183523178 /nfs/dbraw/zinc/52/31/78/183523178.db2.gz JFMNEAZCMSKVIQ-QGZVFWFLSA-N 0 0 323.396 3.699 50 0 DHAARN Cc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccncc2)c1C ZINC000048196361 183626073 /nfs/dbraw/zinc/62/60/73/183626073.db2.gz WWFUIMKWSUASKO-AEFFLSMTSA-N 0 0 324.424 3.829 50 0 DHAARN Cc1cc(CN(C)Cc2csc(Cc3ccccc3)n2)no1 ZINC000048252625 183632155 /nfs/dbraw/zinc/63/21/55/183632155.db2.gz UCKKNOXRXHADJS-UHFFFAOYSA-N 0 0 313.426 3.662 50 0 DHAARN CC(C)(C)n1cc(C(=O)N2CCC[C@@H]2c2cccs2)cn1 ZINC000048366469 183651728 /nfs/dbraw/zinc/65/17/28/183651728.db2.gz OVQUOHBCOYTAAF-CYBMUJFWSA-N 0 0 303.431 3.677 50 0 DHAARN CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccccn1 ZINC000048366275 183652273 /nfs/dbraw/zinc/65/22/73/183652273.db2.gz WZLMUSAHRCPOSM-OAHLLOKOSA-N 0 0 301.777 3.712 50 0 DHAARN CCOC(=O)N1CCC([C@@H](F)c2cccc(Cl)n2)CC1 ZINC000048564189 183665971 /nfs/dbraw/zinc/66/59/71/183665971.db2.gz AKGAOOHMTODOMG-CYBMUJFWSA-N 0 0 300.761 3.614 50 0 DHAARN O=C(Nc1cccc(-n2cccn2)c1)N1CCc2sccc2C1 ZINC000048554908 183665540 /nfs/dbraw/zinc/66/55/40/183665540.db2.gz RRSLIYGXQLUNNG-UHFFFAOYSA-N 0 0 324.409 3.524 50 0 DHAARN CC(C)c1ccc([C@H]2SCC(=O)Nc3c2cnn3C)cc1 ZINC000049550709 183740351 /nfs/dbraw/zinc/74/03/51/183740351.db2.gz FQCBGWWJIAAIKM-OAHLLOKOSA-N 0 0 301.415 3.968 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2C)cn1 ZINC000049767217 183758200 /nfs/dbraw/zinc/75/82/00/183758200.db2.gz LKGUFVHAWSDRGU-UHFFFAOYSA-N 0 0 320.352 3.533 50 0 DHAARN CC[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccsc3)no2)C1 ZINC000109475081 194268027 /nfs/dbraw/zinc/26/80/27/194268027.db2.gz BSBYMLFHLHTUDR-NEPJUHHUSA-N 0 0 319.430 3.550 50 0 DHAARN Cc1nccn1-c1cncc(N2CC[C@H](C)C[C@H]2c2ccco2)n1 ZINC000110709347 194353049 /nfs/dbraw/zinc/35/30/49/194353049.db2.gz OKPOGFFMQALOOF-ZFWWWQNUSA-N 0 0 323.400 3.541 50 0 DHAARN CC[C@H](C)Oc1ccc(CN(C)Cc2noc(C)n2)cc1Cl ZINC000055099056 183964130 /nfs/dbraw/zinc/96/41/30/183964130.db2.gz DGSJIGWMVPRDIY-NSHDSACASA-N 0 0 323.824 3.841 50 0 DHAARN CCCN(C/C=C/c1ccccc1)C(=O)c1cc(CC)nn1C ZINC000055281897 183976533 /nfs/dbraw/zinc/97/65/33/183976533.db2.gz XKMCRWQZNRWPDW-FMIVXFBMSA-N 0 0 311.429 3.548 50 0 DHAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)CCCc2cccs2)c1 ZINC000055284520 183976964 /nfs/dbraw/zinc/97/69/64/183976964.db2.gz NQGFSOOHVBCXPH-OAHLLOKOSA-N 0 0 316.470 3.864 50 0 DHAARN Cc1ccc2nc(C)c(C(=O)N(C)[C@@H](C)c3ccon3)cc2c1 ZINC000055413235 183986092 /nfs/dbraw/zinc/98/60/92/183986092.db2.gz KDRPHFVUDUTQNU-ZDUSSCGKSA-N 0 0 309.369 3.673 50 0 DHAARN Cc1ccc(-c2nc(CN(C)[C@@H](C)c3ccncn3)c(C)o2)o1 ZINC000056696653 184017906 /nfs/dbraw/zinc/01/79/06/184017906.db2.gz OGQBXJBCVQMYPY-LBPRGKRZSA-N 0 0 312.373 3.534 50 0 DHAARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H](C)c1cccnc1 ZINC000057030744 184025253 /nfs/dbraw/zinc/02/52/53/184025253.db2.gz KANXXTMBVVOREA-GDBMZVCRSA-N 0 0 324.424 3.778 50 0 DHAARN CN(Cc1ccccn1)C(=O)c1ccc(Cl)c2cccnc12 ZINC000057229087 184030512 /nfs/dbraw/zinc/03/05/12/184030512.db2.gz YWOBQUIKBFTQTE-UHFFFAOYSA-N 0 0 311.772 3.555 50 0 DHAARN CN(Cc1ccccc1)Cn1nc(NC(C)(C)C)sc1=S ZINC000057286230 184032254 /nfs/dbraw/zinc/03/22/54/184032254.db2.gz SAJPJCJLOQYQFO-UHFFFAOYSA-N 0 0 322.503 3.974 50 0 DHAARN C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)C1CCCCCC1 ZINC000056769253 184019370 /nfs/dbraw/zinc/01/93/70/184019370.db2.gz JJPUKOJLQNSQLW-CQSZACIVSA-N 0 0 304.434 3.687 50 0 DHAARN O=C(Nc1cc(F)ccc1F)[C@@H](c1ccccc1)n1cccc1 ZINC000056907459 184021203 /nfs/dbraw/zinc/02/12/03/184021203.db2.gz KBHJOUYZBHIMPZ-QGZVFWFLSA-N 0 0 312.319 3.994 50 0 DHAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000056979480 184022929 /nfs/dbraw/zinc/02/29/29/184022929.db2.gz XENPZQQZPKIHNP-KOLCDFICSA-N 0 0 318.760 3.780 50 0 DHAARN COc1cccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(C)cc2)c1 ZINC000057010995 184024550 /nfs/dbraw/zinc/02/45/50/184024550.db2.gz TVZOUAFEWGWMPV-MOPGFXCFSA-N 0 0 322.408 3.513 50 0 DHAARN CCCc1nc2c(C)nn(CC)c2c(NCC2CCCC2)n1 ZINC000057355827 184035670 /nfs/dbraw/zinc/03/56/70/184035670.db2.gz QLYZQTCROQYFTJ-UHFFFAOYSA-N 0 0 301.438 3.709 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2cccs2)[nH]n1 ZINC000057413136 184037730 /nfs/dbraw/zinc/03/77/30/184037730.db2.gz YZKYFZIOVRQJPX-UHFFFAOYSA-N 0 0 309.394 3.879 50 0 DHAARN CCN(Cc1cccs1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000057446497 184038270 /nfs/dbraw/zinc/03/82/70/184038270.db2.gz VRKRHKMLJVZFRX-LBPRGKRZSA-N 0 0 313.426 3.568 50 0 DHAARN Cc1ccc(CN(C(=O)c2cc(C(C)C)n[nH]2)C(C)C)s1 ZINC000057444564 184038651 /nfs/dbraw/zinc/03/86/51/184038651.db2.gz QELHTQQWVSLGPC-UHFFFAOYSA-N 0 0 305.447 3.954 50 0 DHAARN C[C@@H](OCc1ccccc1)C(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000057513692 184040924 /nfs/dbraw/zinc/04/09/24/184040924.db2.gz SZYNFVKSHCISFP-HZPDHXFCSA-N 0 0 324.424 3.739 50 0 DHAARN CSc1sc(NC(=O)c2ccc3c(c2)CCC3)nc1C ZINC000058161174 184082868 /nfs/dbraw/zinc/08/28/68/184082868.db2.gz WTKRQUYFBGVOTC-UHFFFAOYSA-N 0 0 304.440 3.914 50 0 DHAARN CCN(C(=O)NCCc1c(F)cccc1F)C1CCCCC1 ZINC000058163217 184083152 /nfs/dbraw/zinc/08/31/52/184083152.db2.gz YERAYMBDNDPPDK-UHFFFAOYSA-N 0 0 310.388 3.872 50 0 DHAARN COc1ccccc1[C@H](C)N(C)Cc1ncc(C)c(OC)c1C ZINC000058167903 184083940 /nfs/dbraw/zinc/08/39/40/184083940.db2.gz GZKHRPICTPUEMW-HNNXBMFYSA-N 0 0 314.429 3.909 50 0 DHAARN Cc1cc(C)c(NC(=O)CSCc2cccs2)c(C)n1 ZINC000058171031 184084100 /nfs/dbraw/zinc/08/41/00/184084100.db2.gz BYFRICRSVJIGTG-UHFFFAOYSA-N 0 0 306.456 3.940 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000058209805 184088251 /nfs/dbraw/zinc/08/82/51/184088251.db2.gz VAOAPNYGIDITIL-UHFFFAOYSA-N 0 0 316.254 3.956 50 0 DHAARN CC[C@@H](C)C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000058210954 184088947 /nfs/dbraw/zinc/08/89/47/184088947.db2.gz ZRHPYMGWXDLKGI-LLVKDONJSA-N 0 0 310.825 3.805 50 0 DHAARN O=C(/C=C/c1ccccn1)N[C@H](c1ccco1)c1ccccc1 ZINC000058365650 184109472 /nfs/dbraw/zinc/10/94/72/184109472.db2.gz BTVAMIXSOJDHLF-CVTTXWKISA-N 0 0 304.349 3.594 50 0 DHAARN Cc1noc(CN[C@@H](c2ccccc2)c2cccc(Cl)c2)n1 ZINC000058264521 184095783 /nfs/dbraw/zinc/09/57/83/184095783.db2.gz VHUDFQCTFXUTOT-KRWDZBQOSA-N 0 0 313.788 3.911 50 0 DHAARN O=C(CC1CCCC1)Nc1cccc(CN2CCCCC2=O)c1 ZINC000058266171 184096542 /nfs/dbraw/zinc/09/65/42/184096542.db2.gz KOOIIVQCHMDKTG-UHFFFAOYSA-N 0 0 314.429 3.718 50 0 DHAARN COC(=O)Nc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1 ZINC000058277449 184098400 /nfs/dbraw/zinc/09/84/00/184098400.db2.gz SKQFCXIVJRYJBL-UHFFFAOYSA-N 0 0 319.405 3.907 50 0 DHAARN Cc1ccc(-n2nnnc2S[C@@H](C)c2cccnc2)c(C)c1 ZINC000058291698 184101281 /nfs/dbraw/zinc/10/12/81/184101281.db2.gz AHWFIMXUKRPFRB-ZDUSSCGKSA-N 0 0 311.414 3.527 50 0 DHAARN COC[C@@H](C)c1nc(-c2cccc(N3CCCC3=O)c2)cs1 ZINC000058291689 184101519 /nfs/dbraw/zinc/10/15/19/184101519.db2.gz PBMLRYVKIAHQCX-GFCCVEGCSA-N 0 0 316.426 3.687 50 0 DHAARN CC(=O)c1c(F)cccc1NCCCN(C)c1ccccc1 ZINC000058304095 184103010 /nfs/dbraw/zinc/10/30/10/184103010.db2.gz ROEURMYPJPGWPZ-UHFFFAOYSA-N 0 0 300.377 3.967 50 0 DHAARN COC[C@H](C)N(C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000058324079 184105102 /nfs/dbraw/zinc/10/51/02/184105102.db2.gz XDPXSOHQJWNWTO-ZDUSSCGKSA-N 0 0 306.406 3.507 50 0 DHAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C)n1 ZINC000058326620 184105664 /nfs/dbraw/zinc/10/56/64/184105664.db2.gz ZRGMFNLXEBFBHC-AEFFLSMTSA-N 0 0 309.413 3.583 50 0 DHAARN CCSCCC(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000058779787 184128671 /nfs/dbraw/zinc/12/86/71/184128671.db2.gz SDNPUXHUFGXSLV-UHFFFAOYSA-N 0 0 302.371 3.656 50 0 DHAARN c1ccc2oc(NCCNc3ccc4ccccc4n3)nc2c1 ZINC000058394168 184112633 /nfs/dbraw/zinc/11/26/33/184112633.db2.gz NDIQMHGENXJGEM-UHFFFAOYSA-N 0 0 304.353 3.900 50 0 DHAARN O=C(c1csc(-c2ccccn2)n1)N1CCCCCCC1 ZINC000058413062 184114684 /nfs/dbraw/zinc/11/46/84/184114684.db2.gz PVFWKWDXVDNUBB-UHFFFAOYSA-N 0 0 301.415 3.611 50 0 DHAARN O=C(NC1CCCCCCC1)[C@@H](c1ccccc1)n1cccn1 ZINC000058415869 184115336 /nfs/dbraw/zinc/11/53/36/184115336.db2.gz QLDWQOVWFQEUHM-GOSISDBHSA-N 0 0 311.429 3.702 50 0 DHAARN O=C(c1nccc2ccccc21)N1CCC[C@H]1c1ccncc1 ZINC000058433337 184117858 /nfs/dbraw/zinc/11/78/58/184117858.db2.gz VWSNBRDWPBWEMZ-KRWDZBQOSA-N 0 0 303.365 3.607 50 0 DHAARN O=C(NCCC1CCCC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000058432014 184117916 /nfs/dbraw/zinc/11/79/16/184117916.db2.gz ZQMSKHUJRUYQPL-UHFFFAOYSA-N 0 0 317.820 3.836 50 0 DHAARN Cc1cc(-c2csc(NC(=O)[C@@H](C)OCC3CC3)n2)c(C)o1 ZINC000058438913 184118305 /nfs/dbraw/zinc/11/83/05/184118305.db2.gz UTAPMAVKTLPYTA-LLVKDONJSA-N 0 0 320.414 3.774 50 0 DHAARN COc1ccc(F)cc1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000058441814 184119106 /nfs/dbraw/zinc/11/91/06/184119106.db2.gz YUZIPTJYMKSRGS-UHFFFAOYSA-N 0 0 323.327 3.544 50 0 DHAARN CC(=O)Nc1ccc(Cl)cc1NCCOc1ccc(F)cc1 ZINC000058469710 184119600 /nfs/dbraw/zinc/11/96/00/184119600.db2.gz FYZRAXSHJKZZMF-UHFFFAOYSA-N 0 0 322.767 3.928 50 0 DHAARN Cc1ccc(/C=C/C(=O)N(Cc2ccncc2)C2CC2)c(C)c1 ZINC000058476266 184119906 /nfs/dbraw/zinc/11/99/06/184119906.db2.gz IERMJZKXVHFLBC-VMPITWQZSA-N 0 0 306.409 3.903 50 0 DHAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000058573370 184123066 /nfs/dbraw/zinc/12/30/66/184123066.db2.gz VSGINFDSKVLNNL-GOSISDBHSA-N 0 0 313.372 3.741 50 0 DHAARN CCCN(Cc1ccccc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000059578487 184139413 /nfs/dbraw/zinc/13/94/13/184139413.db2.gz WNKXEDOSWQXVID-IBGZPJMESA-N 0 0 308.425 3.830 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C ZINC000059740070 184140396 /nfs/dbraw/zinc/14/03/96/184140396.db2.gz BXBKSOVNQDYTIL-OAHLLOKOSA-N 0 0 316.445 3.527 50 0 DHAARN COc1ccc(C(=O)CSc2ccccc2C)c(OC)c1 ZINC000059930277 184142667 /nfs/dbraw/zinc/14/26/67/184142667.db2.gz OCEMGEMGYVCAIA-UHFFFAOYSA-N 0 0 302.395 3.987 50 0 DHAARN COc1ccc(OCCCSC(=S)N2CCCC2)cc1 ZINC000061131180 184163060 /nfs/dbraw/zinc/16/30/60/184163060.db2.gz WEPIMFRFJKNDAT-UHFFFAOYSA-N 0 0 311.472 3.578 50 0 DHAARN CCCNC(=O)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000061720735 184185393 /nfs/dbraw/zinc/18/53/93/184185393.db2.gz JWNZOUSMTJCQSZ-UHFFFAOYSA-N 0 0 311.410 3.741 50 0 DHAARN Cn1cccc1CN(C(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000062018261 184201823 /nfs/dbraw/zinc/20/18/23/184201823.db2.gz MOSYOSFWLIFOEZ-UHFFFAOYSA-N 0 0 306.768 3.622 50 0 DHAARN CCCOc1cccc(NC(=O)N(CC)C[C@@H]2CCCO2)c1 ZINC000062580571 184244172 /nfs/dbraw/zinc/24/41/72/184244172.db2.gz YAZMNDBTOWNXGF-INIZCTEOSA-N 0 0 306.406 3.508 50 0 DHAARN COc1cccc(-c2nnc(COc3ccc(Cl)cc3)o2)c1 ZINC000062663125 184247197 /nfs/dbraw/zinc/24/71/97/184247197.db2.gz YPPIDVPRZRQNFM-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN c1ccc2c(c1)ccc1c2[C@@H]2N[C@@H](c3cccnc3)OC[C@@H]2CO1 ZINC000063110706 184271083 /nfs/dbraw/zinc/27/10/83/184271083.db2.gz CVTVSDQCGJDMLX-CWFSZBLJSA-N 0 0 318.376 3.603 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccccc2OC)cc1 ZINC000064579924 184300714 /nfs/dbraw/zinc/30/07/14/184300714.db2.gz VSQQIXDNPJEDMU-KRWDZBQOSA-N 0 0 311.381 3.681 50 0 DHAARN Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1C1CC1 ZINC000064324763 184294293 /nfs/dbraw/zinc/29/42/93/184294293.db2.gz WNNPIVTUKHRALJ-UHFFFAOYSA-N 0 0 312.417 3.780 50 0 DHAARN CCn1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000064579787 184300746 /nfs/dbraw/zinc/30/07/46/184300746.db2.gz RTQKEVZRXYADCY-OAHLLOKOSA-N 0 0 303.793 3.534 50 0 DHAARN CC(C)(C)c1n[nH]cc1CNCc1coc(-c2cccs2)n1 ZINC000064411901 184296396 /nfs/dbraw/zinc/29/63/96/184296396.db2.gz KKHWUUMRBLXWEX-UHFFFAOYSA-N 0 0 316.430 3.714 50 0 DHAARN CNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472706 184298176 /nfs/dbraw/zinc/29/81/76/184298176.db2.gz IIZFPCQWGVRINZ-UHFFFAOYSA-N 0 0 300.358 3.705 50 0 DHAARN CCCc1nc(C)c(C(=O)Nc2ccc(C)c3c[nH]nc32)s1 ZINC000063713462 184286621 /nfs/dbraw/zinc/28/66/21/184286621.db2.gz RMZZZMQZTOBYDR-UHFFFAOYSA-N 0 0 314.414 3.841 50 0 DHAARN CCn1nccc1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000064579790 184300674 /nfs/dbraw/zinc/30/06/74/184300674.db2.gz LVGIIXWVTRMIFL-CQSZACIVSA-N 0 0 303.793 3.534 50 0 DHAARN COc1cccc([C@H]2CCCN2C(=O)c2c[nH]c3ncccc23)c1 ZINC000064770627 184303556 /nfs/dbraw/zinc/30/35/56/184303556.db2.gz XVUSLWVXRIQLDN-QGZVFWFLSA-N 0 0 321.380 3.549 50 0 DHAARN Cc1ccccc1Cn1ccn2nc(-c3ccccc3)cc2c1=O ZINC000064977491 184307078 /nfs/dbraw/zinc/30/70/78/184307078.db2.gz STEYUBMVSBVXLQ-UHFFFAOYSA-N 0 0 315.376 3.520 50 0 DHAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccccc2)cc1 ZINC000065084423 184310205 /nfs/dbraw/zinc/31/02/05/184310205.db2.gz HVPDIWDVCJDDNN-UHFFFAOYSA-N 0 0 318.376 3.666 50 0 DHAARN CC(C)Cn1cc(CCNC(=O)c2ccccc2)c2cccnc21 ZINC000065164026 184313183 /nfs/dbraw/zinc/31/31/83/184313183.db2.gz QCJBCDYYASUEPW-UHFFFAOYSA-N 0 0 321.424 3.665 50 0 DHAARN O=C1COc2ccc(Cl)cc2CN1Cc1ccccc1Cl ZINC000065184386 184314141 /nfs/dbraw/zinc/31/41/41/184314141.db2.gz MPDDPWUPDVPRNW-UHFFFAOYSA-N 0 0 322.191 3.915 50 0 DHAARN COc1ccc(CNc2nc(-c3ccc(C)cc3)nnc2C)cc1 ZINC000065195815 184314182 /nfs/dbraw/zinc/31/41/82/184314182.db2.gz PNIZEFAZYFNBAJ-UHFFFAOYSA-N 0 0 320.396 3.776 50 0 DHAARN O=C(Cc1nnc(-c2ccsc2)o1)Nc1cccc(Cl)c1 ZINC000065214160 184314846 /nfs/dbraw/zinc/31/48/46/184314846.db2.gz UFGIACOQPVULIL-UHFFFAOYSA-N 0 0 319.773 3.633 50 0 DHAARN CC(C)n1nc(CNC(=O)Cc2ccsc2)c2ccccc21 ZINC000065219780 184314948 /nfs/dbraw/zinc/31/49/48/184314948.db2.gz WOKMGYAFDJPKTH-UHFFFAOYSA-N 0 0 313.426 3.538 50 0 DHAARN Cc1ccc(-c2ccc(C(=O)NCc3ccccc3)cn2)cc1 ZINC000064668963 184302033 /nfs/dbraw/zinc/30/20/33/184302033.db2.gz MLGMYQSTSHMUQE-UHFFFAOYSA-N 0 0 302.377 3.987 50 0 DHAARN Cc1noc(C)c1Cn1cnc(-c2ccccc2)c1[C@H]1CCOC1 ZINC000065386233 184333491 /nfs/dbraw/zinc/33/34/91/184333491.db2.gz ZSXMLAGVVZXKAK-INIZCTEOSA-N 0 0 323.396 3.707 50 0 DHAARN Cc1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c(C)c1 ZINC000065239561 184317197 /nfs/dbraw/zinc/31/71/97/184317197.db2.gz XWSDLUMZNHRDQG-UHFFFAOYSA-N 0 0 317.352 3.601 50 0 DHAARN CC(C)n1nnc2ccc(-c3noc(-c4cccs4)n3)cc21 ZINC000065240554 184317746 /nfs/dbraw/zinc/31/77/46/184317746.db2.gz YHNMMALUUZJFKK-UHFFFAOYSA-N 0 0 311.370 3.791 50 0 DHAARN Cc1ccsc1C(=O)N1CCc2[nH]cnc2C12CCCCC2 ZINC000065293147 184323928 /nfs/dbraw/zinc/32/39/28/184323928.db2.gz ZCVLILLVNBJNII-UHFFFAOYSA-N 0 0 315.442 3.638 50 0 biogenic DHAARN CCN(C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000065337580 184325010 /nfs/dbraw/zinc/32/50/10/184325010.db2.gz GZECTXBOVJVCNE-UHFFFAOYSA-N 0 0 301.184 3.606 50 0 DHAARN CC[C@@H](NC(=O)Nc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000065365110 184328674 /nfs/dbraw/zinc/32/86/74/184328674.db2.gz VKCMRZYLVPQITQ-OAHLLOKOSA-N 0 0 314.385 3.977 50 0 DHAARN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 ZINC000065364836 184328973 /nfs/dbraw/zinc/32/89/73/184328973.db2.gz RRRLBZUTCOBZCJ-UHFFFAOYSA-N 0 0 308.809 3.607 50 0 DHAARN Oc1ccc(C[C@@H](c2nnc(C3CC3)[nH]2)c2ccccc2)cc1 ZINC000065383141 184332928 /nfs/dbraw/zinc/33/29/28/184332928.db2.gz UCVFQJUZBLPGDI-QGZVFWFLSA-N 0 0 305.381 3.762 50 0 DHAARN C[N@H+](Cc1ncccc1C(=O)[O-])C[C@@]1(c2ccccc2)CC1(C)C ZINC000065410822 184340395 /nfs/dbraw/zinc/34/03/95/184340395.db2.gz CGXRFPYLRJGRTK-HXUWFJFHSA-N 0 0 324.424 3.580 50 0 DHAARN Cc1cnc(-c2ccc(-n3ccnc3-c3cccnc3)cc2)nc1 ZINC000065433768 184344009 /nfs/dbraw/zinc/34/40/09/184344009.db2.gz CUUSHDQOMYAHFV-UHFFFAOYSA-N 0 0 313.364 3.700 50 0 DHAARN Cc1nc(-c2ccc([C@H]3CCCO3)s2)n(-c2ccccn2)n1 ZINC000065435857 184344731 /nfs/dbraw/zinc/34/47/31/184344731.db2.gz MMGQMCXADOFHDO-GFCCVEGCSA-N 0 0 312.398 3.551 50 0 DHAARN Cc1nc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cs1 ZINC000065461914 184348929 /nfs/dbraw/zinc/34/89/29/184348929.db2.gz USFIRXZROVSQLP-ZDUSSCGKSA-N 0 0 305.403 3.540 50 0 DHAARN COc1ccc([C@@H]2CCCN2Cc2nnc(SC)s2)cc1 ZINC000065474620 184351359 /nfs/dbraw/zinc/35/13/59/184351359.db2.gz OJDWVDRVGDSHFR-ZDUSSCGKSA-N 0 0 321.471 3.606 50 0 DHAARN COc1cc2c(cc1-c1[nH]cnc1-c1ccccc1)OCCCO2 ZINC000065403800 184337465 /nfs/dbraw/zinc/33/74/65/184337465.db2.gz UZHTYPJLKIBOHO-UHFFFAOYSA-N 0 0 322.364 3.914 50 0 DHAARN Cc1nn(C(F)F)c(C)c1CC(=O)OC1CCCCCC1 ZINC000065492567 184354118 /nfs/dbraw/zinc/35/41/18/184354118.db2.gz WXVGBVDOKSKSHX-UHFFFAOYSA-N 0 0 300.349 3.704 50 0 DHAARN Cc1nn(C)c(Cl)c1CN(C)Cc1cccc2cnccc21 ZINC000065528484 184360271 /nfs/dbraw/zinc/36/02/71/184360271.db2.gz PNQMQVSIGSUTRB-UHFFFAOYSA-N 0 0 314.820 3.562 50 0 DHAARN CC(=O)Nc1cccc(-c2ccccc2OCCn2ccnc2)c1 ZINC000065535625 184362703 /nfs/dbraw/zinc/36/27/03/184362703.db2.gz NGPOKLHSSBYXOU-UHFFFAOYSA-N 0 0 321.380 3.588 50 0 DHAARN Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc2cnccc21 ZINC000065549784 184364168 /nfs/dbraw/zinc/36/41/68/184364168.db2.gz AOAHIBMUEGFNIN-SFHVURJKSA-N 0 0 320.396 3.942 50 0 DHAARN COc1ccc2c(CC(=O)NC3[C@@H](C)CCC[C@@H]3C)coc2c1 ZINC000065565471 184367008 /nfs/dbraw/zinc/36/70/08/184367008.db2.gz VDLDACQEEWBNCD-STQMWFEESA-N 0 0 315.413 3.925 50 0 DHAARN O=C(Cc1cccc(F)c1)N(Cc1ccco1)Cc1cccnc1 ZINC000065576097 184368116 /nfs/dbraw/zinc/36/81/16/184368116.db2.gz NSYJAJOGYPZGBL-UHFFFAOYSA-N 0 0 324.355 3.585 50 0 DHAARN COc1ccccc1[C@@H](C)N(C)Cc1c(C)nn(C)c1Cl ZINC000065499979 184355334 /nfs/dbraw/zinc/35/53/34/184355334.db2.gz XHKKXMBFJJCALY-GFCCVEGCSA-N 0 0 307.825 3.584 50 0 DHAARN COc1ccccc1[C@H](C)N(C)Cc1c(C)nn(C)c1Cl ZINC000065499976 184355592 /nfs/dbraw/zinc/35/55/92/184355592.db2.gz XHKKXMBFJJCALY-LBPRGKRZSA-N 0 0 307.825 3.584 50 0 DHAARN O=C(NCc1nccs1)c1cc(F)ccc1-c1ccccc1 ZINC000065515519 184357932 /nfs/dbraw/zinc/35/79/32/184357932.db2.gz PGOWEZCDCSYOQO-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ncoc2c1 ZINC000065513290 184358134 /nfs/dbraw/zinc/35/81/34/184358134.db2.gz FJHPKPWDVPRNJD-UHFFFAOYSA-N 0 0 322.349 3.599 50 0 DHAARN CCCCc1ccc(-c2noc3nc(CC)[nH]c(=O)c32)s1 ZINC000066089542 184388424 /nfs/dbraw/zinc/38/84/24/184388424.db2.gz JCTDXSJPORDJOU-UHFFFAOYSA-N 0 0 303.387 3.545 50 0 DHAARN O=C(C1CCCCC1)N1CCC(OCc2ccccc2)CC1 ZINC000065612030 184373685 /nfs/dbraw/zinc/37/36/85/184373685.db2.gz BCIDEJQCNNHFPA-UHFFFAOYSA-N 0 0 301.430 3.775 50 0 DHAARN O=C(Nc1ccc(-c2nnco2)cc1)c1nccc2ccccc21 ZINC000065613848 184374159 /nfs/dbraw/zinc/37/41/59/184374159.db2.gz AUPDXCKWSPBKAZ-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN CCn1nc(C)c(C(=O)N[C@H](C)c2cc3ccccc3o2)c1C ZINC000065626951 184376155 /nfs/dbraw/zinc/37/61/55/184376155.db2.gz BMKQMCBRXBIHLW-LLVKDONJSA-N 0 0 311.385 3.757 50 0 DHAARN Cc1ccoc1C(=O)N(C)c1ccc(Br)cc1F ZINC000065864185 184381478 /nfs/dbraw/zinc/38/14/78/184381478.db2.gz VKVHUPXGYIPUOP-UHFFFAOYSA-N 0 0 312.138 3.766 50 0 DHAARN COc1ccc(Cl)cc1NCCC(=O)N1CCCCCCC1 ZINC000065859094 184381603 /nfs/dbraw/zinc/38/16/03/184381603.db2.gz UQYGUSOSHMNIAF-UHFFFAOYSA-N 0 0 324.852 3.943 50 0 DHAARN CC(C)CCN(C)C(=O)c1cnc2c(cnn2C2CCCC2)c1 ZINC000069418929 184513580 /nfs/dbraw/zinc/51/35/80/184513580.db2.gz JCJQGUSKAQWMKG-UHFFFAOYSA-N 0 0 314.433 3.665 50 0 DHAARN Cc1cc(C(=O)NC2=NCCS2)sc1-c1ccc(F)cc1 ZINC000069420715 184513811 /nfs/dbraw/zinc/51/38/11/184513811.db2.gz INODWWHPUBRUBF-UHFFFAOYSA-N 0 0 320.414 3.695 50 0 DHAARN C[C@H](NC(=O)c1cccn1C)c1cc(F)c(Cl)cc1Cl ZINC000069231078 184505373 /nfs/dbraw/zinc/50/53/73/184505373.db2.gz QJVUSSXAOWHQTJ-QMMMGPOBSA-N 0 0 315.175 3.962 50 0 DHAARN Cc1nc(-c2ccco2)ccc1C(=O)N[C@H](C)c1ccncc1 ZINC000069367429 184509929 /nfs/dbraw/zinc/50/99/29/184509929.db2.gz HKXCFRNJPYLASB-GFCCVEGCSA-N 0 0 307.353 3.536 50 0 DHAARN CC(C)N(C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000069559726 184525491 /nfs/dbraw/zinc/52/54/91/184525491.db2.gz GCWQBOKMADVUNW-HZPDHXFCSA-N 0 0 317.820 3.619 50 0 DHAARN CN(C(=O)C1CCC1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000069518380 184522144 /nfs/dbraw/zinc/52/21/44/184522144.db2.gz GNRLIQJRUQZABB-QGZVFWFLSA-N 0 0 316.351 3.708 50 0 DHAARN CCN(C(=O)[C@H]1CC=CCC1)c1ccc(Br)cn1 ZINC000119725349 195025836 /nfs/dbraw/zinc/02/58/36/195025836.db2.gz JGHUXCDLJRCIAP-NSHDSACASA-N 0 0 309.207 3.553 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/nfs/dbraw/zinc/24/57/09/257245709.db2.gz DSROIRLOYWVKEF-UHFFFAOYSA-N 0 0 323.392 3.751 50 0 DHAARN COCCC1CCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000426522863 257247907 /nfs/dbraw/zinc/24/79/07/257247907.db2.gz JGTYCZSMKALDNB-CYBMUJFWSA-N 0 0 324.852 3.859 50 0 DHAARN CCC(CC)CNC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000426510629 257248339 /nfs/dbraw/zinc/24/83/39/257248339.db2.gz NAZPLPRYOKQTKG-INIZCTEOSA-N 0 0 324.490 3.875 50 0 DHAARN CCCN(CCOC)C(=O)c1cccc(-c2ccncc2C)c1 ZINC000426430982 257250072 /nfs/dbraw/zinc/25/00/72/257250072.db2.gz GHWGUTAWEZJCRL-UHFFFAOYSA-N 0 0 312.413 3.556 50 0 DHAARN CNC(=O)c1cc(-c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000426386363 257252123 /nfs/dbraw/zinc/25/21/23/257252123.db2.gz PIVGEEKISHCOJS-UHFFFAOYSA-N 0 0 311.772 3.552 50 0 DHAARN Cc1cc(Cn2ccnc2[C@@H](O)c2cccs2)c(C)s1 ZINC000408521646 257254432 /nfs/dbraw/zinc/25/44/32/257254432.db2.gz HHVDRQLKNANRDG-AWEZNQCLSA-N 0 0 304.440 3.753 50 0 DHAARN COc1ccc(CCC(=O)c2ccc(OC)cc2OC)cc1 ZINC000000129404 257254835 /nfs/dbraw/zinc/25/48/35/257254835.db2.gz RLXIJVAQVDODQY-UHFFFAOYSA-N 0 0 300.354 3.528 50 0 DHAARN Cc1nc(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000408521528 257254992 /nfs/dbraw/zinc/25/49/92/257254992.db2.gz XPUXQAYRXCQLBU-UHFFFAOYSA-N 0 0 324.302 3.550 50 0 DHAARN Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C1(C)CCC1 ZINC000408516726 257255524 /nfs/dbraw/zinc/25/55/24/257255524.db2.gz SOURJCUOHIQISX-QGZVFWFLSA-N 0 0 310.397 3.600 50 0 DHAARN C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)c1cnccn1 ZINC000408513910 257256082 /nfs/dbraw/zinc/25/60/82/257256082.db2.gz VNIMSMZNOYFCQM-YFHOEESVSA-N 0 0 307.275 3.538 50 0 DHAARN Cc1cnc(C2CCN(C(=O)Cc3ccccc3C)CC2)s1 ZINC000278434066 257256762 /nfs/dbraw/zinc/25/67/62/257256762.db2.gz HAYMWVQZIPZHBE-UHFFFAOYSA-N 0 0 314.454 3.709 50 0 DHAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000238950831 257260173 /nfs/dbraw/zinc/26/01/73/257260173.db2.gz ZTBMOOKXITVSAM-GIYDNNGJSA-N 0 0 309.409 3.805 50 0 DHAARN CCOC(=O)[C@H](C(=O)Nc1ccc(C)cc1)C1CCCCC1 ZINC000000129319 257266368 /nfs/dbraw/zinc/26/63/68/257266368.db2.gz OSAIABBUSPOXTO-INIZCTEOSA-N 0 0 303.402 3.693 50 0 DHAARN Cc1ccc(NC(=O)CCCC(=O)Oc2ccccc2F)cc1 ZINC000000136088 257266444 /nfs/dbraw/zinc/26/64/44/257266444.db2.gz NGJHOYGGQVMCIB-UHFFFAOYSA-N 0 0 315.344 3.849 50 0 DHAARN CCCCOc1ccccc1NC(=O)[C@@](F)(OC)C(F)(F)F ZINC000003672547 257267501 /nfs/dbraw/zinc/26/75/01/257267501.db2.gz JVUUVKHHQXCVGQ-CYBMUJFWSA-N 0 0 323.286 3.679 50 0 DHAARN O=C(CCCC(=O)c1ccccc1)Nc1c(F)cccc1F ZINC000006946565 257267917 /nfs/dbraw/zinc/26/79/17/257267917.db2.gz INVCZKMQEWATSU-UHFFFAOYSA-N 0 0 303.308 3.957 50 0 DHAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1CCOC1 ZINC000071832980 184861315 /nfs/dbraw/zinc/86/13/15/184861315.db2.gz VDTBHPHNKOFCQK-VQIMIIECSA-N 0 0 321.376 3.675 50 0 DHAARN O=C(Nc1cccc(-c2cccs2)c1)NC1CCC(O)CC1 ZINC000069664360 184834416 /nfs/dbraw/zinc/83/44/16/184834416.db2.gz OPBHVKLBHNOEAV-UHFFFAOYSA-N 0 0 316.426 3.840 50 0 DHAARN COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)c(OC)c1 ZINC000071800821 184846135 /nfs/dbraw/zinc/84/61/35/184846135.db2.gz VXYWIWXKSNETFY-AWEZNQCLSA-N 0 0 313.397 3.845 50 0 DHAARN Cc1noc([C@@H](C)[S@@](=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000071888563 184889499 /nfs/dbraw/zinc/88/94/99/184889499.db2.gz FQYNUSULVSALGC-QOLSBQFWSA-N 0 0 319.213 3.695 50 0 DHAARN Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)o1 ZINC000071894242 184891713 /nfs/dbraw/zinc/89/17/13/184891713.db2.gz ICMMCVSTCVBQRD-UHFFFAOYSA-N 0 0 313.397 3.657 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N[C@H](C)C(C)(C)C)c(Cl)c1 ZINC000071902340 184895821 /nfs/dbraw/zinc/89/58/21/184895821.db2.gz BRFXJGPXCQDFOF-SECBINFHSA-N 0 0 311.813 3.855 50 0 DHAARN CC(C)[C@@H](Sc1cccs1)C(=O)NCc1cccnc1 ZINC000071909992 184900890 /nfs/dbraw/zinc/90/08/90/184900890.db2.gz NCBJQNGPEVITEP-CQSZACIVSA-N 0 0 306.456 3.576 50 0 DHAARN CCc1nc(COc2cccc(NC(=O)C3CC3)c2)cs1 ZINC000071913897 184903022 /nfs/dbraw/zinc/90/30/22/184903022.db2.gz KYUXGVGFYBNEKX-UHFFFAOYSA-N 0 0 302.399 3.633 50 0 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/nfs/dbraw/zinc/34/27/78/563342778.db2.gz RFBCZCMHXQOLRH-UHFFFAOYSA-N 0 0 323.746 3.545 50 0 DHAARN CC(C)CNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000008189105 563344461 /nfs/dbraw/zinc/34/44/61/563344461.db2.gz GSOFRLKGIVKSOA-UHFFFAOYSA-N 0 0 302.418 3.591 50 0 DHAARN CC(C)(C)NC(=O)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000008306507 563345858 /nfs/dbraw/zinc/34/58/58/563345858.db2.gz VISYYLJPLUISDZ-UHFFFAOYSA-N 0 0 320.392 3.932 50 0 DHAARN CCc1sc(C2N=NC(=S)N2CC)cc1Br ZINC000008337585 563345994 /nfs/dbraw/zinc/34/59/94/563345994.db2.gz QJLNHTWRRNJELE-UHFFFAOYSA-N 0 0 318.265 3.640 50 0 DHAARN COC(=O)Cn1nc(-c2ccccc2)c2oc3ccccc3c21 ZINC000008716864 563349627 /nfs/dbraw/zinc/34/96/27/563349627.db2.gz LRKSMPWIYDSVFV-UHFFFAOYSA-N 0 0 306.321 3.623 50 0 DHAARN CCC(=O)Nc1cccc(OC(=O)c2ccccc2Cl)c1 ZINC000008723117 563349851 /nfs/dbraw/zinc/34/98/51/563349851.db2.gz ZEDLKZYHWJKNDA-UHFFFAOYSA-N 0 0 303.745 3.908 50 0 DHAARN Cc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)c(C)c1 ZINC000008746130 563350124 /nfs/dbraw/zinc/35/01/24/563350124.db2.gz UTSXCLHMMUATID-CQSZACIVSA-N 0 0 302.443 3.996 50 0 DHAARN Cn1cc(C(=O)Cn2cc(C=O)c3ccccc32)c2ccccc21 ZINC000008993257 563351530 /nfs/dbraw/zinc/35/15/30/563351530.db2.gz XFGLDNZMSRORQH-UHFFFAOYSA-N 0 0 316.360 3.828 50 0 DHAARN Fc1ccc2ncnc(NCCc3cccc4cccnc43)c2c1 ZINC000097497528 563351601 /nfs/dbraw/zinc/35/16/01/563351601.db2.gz SFTOEVFKVWQQOF-UHFFFAOYSA-N 0 0 318.355 3.972 50 0 DHAARN Cc1ccc(N(C)c2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)cc1 ZINC000009224768 563352809 /nfs/dbraw/zinc/35/28/09/563352809.db2.gz LAZOPJQGWYYNJI-UHFFFAOYSA-N 0 0 319.404 3.951 50 0 DHAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000009314579 563352931 /nfs/dbraw/zinc/35/29/31/563352931.db2.gz MFPDHMVMYBKGKE-UHFFFAOYSA-N 0 0 314.360 3.560 50 0 DHAARN O=C(Nc1cc(-c2ccccc2F)no1)c1ccc(F)cc1 ZINC000097604972 563352968 /nfs/dbraw/zinc/35/29/68/563352968.db2.gz XECKJMKITGUZCC-UHFFFAOYSA-N 0 0 300.264 3.872 50 0 DHAARN COc1ccc(NC(=O)Nc2cnc3ccccc3c2)c(OC)c1 ZINC000009969121 563355559 /nfs/dbraw/zinc/35/55/59/563355559.db2.gz YDPSCSFMHAGUKT-UHFFFAOYSA-N 0 0 323.352 3.896 50 0 DHAARN Cc1cccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000010296605 563355901 /nfs/dbraw/zinc/35/59/01/563355901.db2.gz BMFLVUBODQDARW-SFHVURJKSA-N 0 0 311.381 3.805 50 0 DHAARN Cc1ccccc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000010296398 563356072 /nfs/dbraw/zinc/35/60/72/563356072.db2.gz QOBYWDNKXQGKOJ-KRWDZBQOSA-N 0 0 311.381 3.805 50 0 DHAARN CCCCc1nnc2sc(COc3ccc(C)c(C)c3)nn12 ZINC000011278154 563358055 /nfs/dbraw/zinc/35/80/55/563358055.db2.gz ZCXCYVAZSMBKKM-UHFFFAOYSA-N 0 0 316.430 3.724 50 0 DHAARN COc1cccc(CC[C@@H]2CCCN(C(=O)C3CCC3)C2)c1 ZINC000011769838 563359038 /nfs/dbraw/zinc/35/90/38/563359038.db2.gz UZHROFPQMBDCRL-INIZCTEOSA-N 0 0 301.430 3.667 50 0 DHAARN CC(C)=CC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000011753718 563359124 /nfs/dbraw/zinc/35/91/24/563359124.db2.gz KRDHDEBARKJIRP-QGZVFWFLSA-N 0 0 323.440 3.949 50 0 DHAARN CCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000011667326 563359318 /nfs/dbraw/zinc/35/93/18/563359318.db2.gz VPEYATNMDHOKSI-ZDUSSCGKSA-N 0 0 311.385 3.920 50 0 DHAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000012028095 563360845 /nfs/dbraw/zinc/36/08/45/563360845.db2.gz WFNUQPYYOCTJDA-KRWDZBQOSA-N 0 0 308.425 3.875 50 0 DHAARN CCCc1noc(CN2CCCC[C@@H]2c2cccc(OC)c2)n1 ZINC000012058142 563360848 /nfs/dbraw/zinc/36/08/48/563360848.db2.gz PQBOVUBXGBQHAA-MRXNPFEDSA-N 0 0 315.417 3.758 50 0 DHAARN CCCCC(=O)Nc1nonc1-c1ccc(OCC(C)C)cc1 ZINC000011915524 563360980 /nfs/dbraw/zinc/36/09/80/563360980.db2.gz UMZVNGIBBITKAW-UHFFFAOYSA-N 0 0 317.389 3.900 50 0 DHAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(F)c1 ZINC000012137885 563362478 /nfs/dbraw/zinc/36/24/78/563362478.db2.gz FRMOZQVPPMOPFH-QGZVFWFLSA-N 0 0 315.344 3.636 50 0 DHAARN CN(C(=O)C(C)(C)C)c1ccccc1C(=O)NCc1ccccc1 ZINC000012293652 563365651 /nfs/dbraw/zinc/36/56/51/563365651.db2.gz JWXSZAPDRVAVBA-UHFFFAOYSA-N 0 0 324.424 3.626 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)c1cccc2nsnc21 ZINC000012340939 563365997 /nfs/dbraw/zinc/36/59/97/563365997.db2.gz XQIWZNLWQJKNQM-UHFFFAOYSA-N 0 0 309.394 3.822 50 0 DHAARN Cc1c2cccc(F)c2oc1C(=O)N(C)CCc1ccccn1 ZINC000012319983 563366289 /nfs/dbraw/zinc/36/62/89/563366289.db2.gz RXAKKSCFQUMVCB-UHFFFAOYSA-N 0 0 312.344 3.590 50 0 DHAARN CC(C)(C)c1cc(NC(=O)c2cccc(Br)c2)no1 ZINC000012381622 563367524 /nfs/dbraw/zinc/36/75/24/563367524.db2.gz XBEFFVXZLSTKPI-UHFFFAOYSA-N 0 0 323.190 3.987 50 0 DHAARN CC(C)(C)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000012381297 563367735 /nfs/dbraw/zinc/36/77/35/563367735.db2.gz QBMIOHMVOJBUHK-UHFFFAOYSA-N 0 0 315.244 3.688 50 0 DHAARN CC(C)(C)[C@H]1CCc2sc(C(=O)NC[C@@H]3CCCO3)cc2C1 ZINC000012381384 563367888 /nfs/dbraw/zinc/36/78/88/563367888.db2.gz SCLWJOYIRBYXRX-KBPBESRZSA-N 0 0 321.486 3.808 50 0 DHAARN Cc1cc(-c2nn3c(nnc3C(C)C)s2)c2ccccc2n1 ZINC000012389472 563368410 /nfs/dbraw/zinc/36/84/10/563368410.db2.gz SGWBUNJQVMXYSK-UHFFFAOYSA-N 0 0 309.398 3.833 50 0 DHAARN CCCC[C@H](CC)Cn1c2ccccc2nc1-c1nonc1N ZINC000012419650 563368806 /nfs/dbraw/zinc/36/88/06/563368806.db2.gz QERYPZDMMYDWTF-LBPRGKRZSA-N 0 0 313.405 3.885 50 0 DHAARN CCN(Cc1nc(CCc2ccccc2)no1)Cc1ccccc1 ZINC000012585697 563371818 /nfs/dbraw/zinc/37/18/18/563371818.db2.gz VCLISDOMMVOZKG-UHFFFAOYSA-N 0 0 321.424 3.877 50 0 DHAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1Cc1ccccc1 ZINC000012651875 563372468 /nfs/dbraw/zinc/37/24/68/563372468.db2.gz LIYSCBNCRXLCEY-UHFFFAOYSA-N 0 0 322.433 3.961 50 0 DHAARN Cc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1cccc(C)c1 ZINC000012793192 563374220 /nfs/dbraw/zinc/37/42/20/563374220.db2.gz LEXPLPLPWQGDDH-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000032643141 563374448 /nfs/dbraw/zinc/37/44/48/563374448.db2.gz FRYNKBSQZYLMMT-UHFFFAOYSA-N 0 0 309.369 3.531 50 0 DHAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000012864925 563374785 /nfs/dbraw/zinc/37/47/85/563374785.db2.gz AFIGUEUCZQOGQZ-UHFFFAOYSA-N 0 0 322.836 3.563 50 0 DHAARN CCc1ccc2c(CC(=O)Nc3c(C)nn(C)c3C)coc2c1 ZINC000012975960 563376116 /nfs/dbraw/zinc/37/61/16/563376116.db2.gz WUWLEGOVYAYBSE-UHFFFAOYSA-N 0 0 311.385 3.527 50 0 DHAARN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C)cc1 ZINC000012988073 563376785 /nfs/dbraw/zinc/37/67/85/563376785.db2.gz GENCGURKRBPYER-HNNXBMFYSA-N 0 0 321.467 3.755 50 0 DHAARN CC(C)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000012995471 563376912 /nfs/dbraw/zinc/37/69/12/563376912.db2.gz RVKYTULFRZABQG-MRXNPFEDSA-N 0 0 308.381 3.875 50 0 DHAARN O=C(NCc1ccccc1)c1ccc(OCc2cscn2)cc1 ZINC000013002315 563377560 /nfs/dbraw/zinc/37/75/60/563377560.db2.gz JFAZOTNNVBRKTP-UHFFFAOYSA-N 0 0 324.405 3.652 50 0 DHAARN COc1cccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2)c1 ZINC000013131744 563378740 /nfs/dbraw/zinc/37/87/40/563378740.db2.gz GOKQIVPYTRFBLZ-QZTJIDSGSA-N 0 0 320.396 3.741 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1cccnc1N1CCCCC1 ZINC000013153110 563379370 /nfs/dbraw/zinc/37/93/70/563379370.db2.gz QJFVJGZWNKKVJY-UHFFFAOYSA-N 0 0 315.804 3.978 50 0 DHAARN C[C@@H]1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000013148438 563379683 /nfs/dbraw/zinc/37/96/83/563379683.db2.gz FMMGDKQSWFYCPM-IYBDPMFKSA-N 0 0 309.409 3.532 50 0 DHAARN COC(=O)c1cccc(OC(=O)c2cc3c(s2)CCCC3)c1 ZINC000013141601 563379691 /nfs/dbraw/zinc/37/96/91/563379691.db2.gz OVRMETXPZDYDSR-UHFFFAOYSA-N 0 0 316.378 3.633 50 0 DHAARN COc1ccccc1OCCSc1nc2ccccc2[nH]1 ZINC000013284616 563380325 /nfs/dbraw/zinc/38/03/25/563380325.db2.gz MWPZHSQYGBSDAP-UHFFFAOYSA-N 0 0 300.383 3.743 50 0 DHAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2F)c(C)c1 ZINC000013326884 563380896 /nfs/dbraw/zinc/38/08/96/563380896.db2.gz WAIJLLVJDJKIKJ-NSHDSACASA-N 0 0 321.323 3.688 50 0 DHAARN COc1cccc(CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1OC ZINC000032716604 563381886 /nfs/dbraw/zinc/38/18/86/563381886.db2.gz MSANAUHGEBQFEO-OFQRWUPVSA-N 0 0 319.445 3.577 50 0 DHAARN COc1ccc2cc([C@@H](C)C(=O)NCC(F)(F)F)ccc2c1 ZINC000032716616 563381901 /nfs/dbraw/zinc/38/19/01/563381901.db2.gz DWBDGSVRWZQEPV-SNVBAGLBSA-N 0 0 311.303 3.630 50 0 DHAARN Cc1[nH]c(=S)[nH]c(=O)c1Oc1cccc(C(F)(F)F)c1 ZINC000013469655 563382073 /nfs/dbraw/zinc/38/20/73/563382073.db2.gz GSQGKJSYUKCZED-UHFFFAOYSA-N 0 0 302.277 3.590 50 0 DHAARN CCCc1cc(=O)[nH]c(SCc2c(F)cccc2Cl)n1 ZINC000013468366 563382111 /nfs/dbraw/zinc/38/21/11/563382111.db2.gz ZZOKXKLUMPZEHC-UHFFFAOYSA-N 0 0 312.797 3.807 50 0 DHAARN Cc1cc(NC(=S)Nc2cccnc2)ccc1Br ZINC000013572828 563383334 /nfs/dbraw/zinc/38/33/34/563383334.db2.gz DTUJMBUAXAIRJY-UHFFFAOYSA-N 0 0 322.231 3.961 50 0 DHAARN COC(=O)Nc1sc(NC(=O)C(C)C)nc1-c1ccccc1 ZINC000013549184 563383385 /nfs/dbraw/zinc/38/33/85/563383385.db2.gz VEKNRUACCHGMIU-UHFFFAOYSA-N 0 0 319.386 3.583 50 0 DHAARN Fc1ccccc1C1N=NC(=S)N1c1cccc2ncccc21 ZINC000013548312 563383499 /nfs/dbraw/zinc/38/34/99/563383499.db2.gz PUSSSUYEXUPNAA-UHFFFAOYSA-N 0 0 322.368 3.910 50 0 DHAARN COc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1F ZINC000013570133 563383552 /nfs/dbraw/zinc/38/35/52/563383552.db2.gz GKHVJVOUFZTHPC-UHFFFAOYSA-N 0 0 318.329 3.803 50 0 DHAARN C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cnc2ccccc2c1 ZINC000013578891 563383562 /nfs/dbraw/zinc/38/35/62/563383562.db2.gz WJDIHHDBWYMKOW-LBPRGKRZSA-N 0 0 323.421 3.936 50 0 DHAARN O=c1nc(-c2ccccn2)[nH]c2sc(-c3ccccc3)cc21 ZINC000013598452 563383927 /nfs/dbraw/zinc/38/39/27/563383927.db2.gz IKCQYPIFZFLJAS-UHFFFAOYSA-N 0 0 305.362 3.714 50 0 DHAARN CC(=O)Nc1ccc(C)c(NC(=S)Nc2ccc(F)cc2)c1 ZINC000013656612 563384501 /nfs/dbraw/zinc/38/45/01/563384501.db2.gz HZYZGNOVKQWERI-UHFFFAOYSA-N 0 0 317.389 3.901 50 0 DHAARN Cc1cc2c(nc1C)sc1c2ncn(Cc2ccccc2)c1=O ZINC000013690979 563386052 /nfs/dbraw/zinc/38/60/52/563386052.db2.gz AHTQXBNPJYZWOB-UHFFFAOYSA-N 0 0 321.405 3.671 50 0 DHAARN C[C@@H]1CCc2sc3ncn4c(-c5ccco5)nnc4c3c2C1 ZINC000013687585 563386413 /nfs/dbraw/zinc/38/64/13/563386413.db2.gz XASLHDHAWZOPJI-SECBINFHSA-N 0 0 310.382 3.724 50 0 DHAARN Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000032738306 563389480 /nfs/dbraw/zinc/38/94/80/563389480.db2.gz DXDXNAPNMUTYKY-ZIAGYGMSSA-N 0 0 323.396 3.516 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DHAARN CC[C@H](C)C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000032895939 563408553 /nfs/dbraw/zinc/40/85/53/563408553.db2.gz ZRPVGMFRWQDGMY-JTQLQIEISA-N 0 0 320.414 3.812 50 0 DHAARN Cc1ccc(C(=O)OCc2nc(-c3ccc(C)cc3)no2)s1 ZINC000015275894 563408557 /nfs/dbraw/zinc/40/85/57/563408557.db2.gz JMVNUUNYQYVMSU-UHFFFAOYSA-N 0 0 314.366 3.772 50 0 DHAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccccc1 ZINC000032894334 563409000 /nfs/dbraw/zinc/40/90/00/563409000.db2.gz BMPOJYWXDOMHNM-UHFFFAOYSA-N 0 0 306.365 3.856 50 0 DHAARN CC(=O)c1ccccc1NC(=O)CNc1ccc(Cl)cc1C ZINC000015290331 563409114 /nfs/dbraw/zinc/40/91/14/563409114.db2.gz VDHBRWSSUBCIEM-UHFFFAOYSA-N 0 0 316.788 3.902 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)NCC1(c2ccccc2)CC1 ZINC000032907657 563410778 /nfs/dbraw/zinc/41/07/78/563410778.db2.gz ZNKIFERMANFGQC-UHFFFAOYSA-N 0 0 320.436 3.749 50 0 DHAARN O=C(c1ccc(NC2CCCCCCC2)nc1)N1CCCC1 ZINC000032908973 563411043 /nfs/dbraw/zinc/41/10/43/563411043.db2.gz RQTKCOSYBDMQET-UHFFFAOYSA-N 0 0 301.434 3.842 50 0 DHAARN CCc1cccc2c(C(=O)C(=O)Nc3ccc(OC)cc3)c[nH]c21 ZINC000016489873 563412321 /nfs/dbraw/zinc/41/23/21/563412321.db2.gz NQVCIRYBPCBCDO-UHFFFAOYSA-N 0 0 322.364 3.560 50 0 DHAARN O=C(Nc1ccc(F)c(F)c1F)c1ccn(-c2ccccc2)n1 ZINC000032922758 563412978 /nfs/dbraw/zinc/41/29/78/563412978.db2.gz DVBSBCVODFPBRW-UHFFFAOYSA-N 0 0 317.270 3.542 50 0 DHAARN Cc1ccc(NC(=O)CNc2ccc(-n3cccn3)cc2)c(C)c1 ZINC000032932722 563414070 /nfs/dbraw/zinc/41/40/70/563414070.db2.gz CBDBBBJBKSWEEY-UHFFFAOYSA-N 0 0 320.396 3.540 50 0 DHAARN Cc1ccccc1NC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000043134719 563415171 /nfs/dbraw/zinc/41/51/71/563415171.db2.gz NYZMMNZPRDPJHV-MRXNPFEDSA-N 0 0 309.413 3.643 50 0 DHAARN Cc1ccccc1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000043134718 563415600 /nfs/dbraw/zinc/41/56/00/563415600.db2.gz NYZMMNZPRDPJHV-INIZCTEOSA-N 0 0 309.413 3.643 50 0 DHAARN CCOc1ccccc1NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000010642396 563415604 /nfs/dbraw/zinc/41/56/04/563415604.db2.gz JCXVBHSPTOOVKX-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN CCCC[C@H](CC)CN1CNC(=S)N(c2ccccc2)C1 ZINC000020266773 563416780 /nfs/dbraw/zinc/41/67/80/563416780.db2.gz FDRLNFQPZPGUMC-HNNXBMFYSA-N 0 0 305.491 3.815 50 0 DHAARN Cc1c[nH]c(CN(C)Cc2cc(C)nc3c(C)cc(C)cc23)n1 ZINC000020542460 563417386 /nfs/dbraw/zinc/41/73/86/563417386.db2.gz BURQSJJRDVGFAF-UHFFFAOYSA-N 0 0 308.429 3.824 50 0 DHAARN Cc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000010696831 563417539 /nfs/dbraw/zinc/41/75/39/563417539.db2.gz PGMNFQAEEFJTLL-UHFFFAOYSA-N 0 0 309.394 3.695 50 0 DHAARN CC(C)n1ncc2cc(C(=O)N(C)C3CCC(C)CC3)cnc21 ZINC000025628197 563423325 /nfs/dbraw/zinc/42/33/25/563423325.db2.gz MUYXJMPWWMWKCB-UHFFFAOYSA-N 0 0 314.433 3.663 50 0 DHAARN COc1cccc(C(=O)Nc2cnc3ccccc3c2)c1OC ZINC000025530588 563423542 /nfs/dbraw/zinc/42/35/42/563423542.db2.gz YNUZYPLADNYQFN-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN Cc1cccc(NCc2cc(=O)n3cc(Cl)ccc3n2)c1C ZINC000025596646 563423548 /nfs/dbraw/zinc/42/35/48/563423548.db2.gz AWGKLEZFJKJFMT-UHFFFAOYSA-N 0 0 313.788 3.577 50 0 DHAARN Cn1ncc2c1ncnc2NC1CCC(c2ccccc2)CC1 ZINC000025499110 563423831 /nfs/dbraw/zinc/42/38/31/563423831.db2.gz AHIOGZDNJHFHAK-UHFFFAOYSA-N 0 0 307.401 3.502 50 0 DHAARN CC(=O)c1csc(NC(=O)CCc2ccccc2Cl)n1 ZINC000026433368 563426057 /nfs/dbraw/zinc/42/60/57/563426057.db2.gz BWNNLHVNNJXGPN-UHFFFAOYSA-N 0 0 308.790 3.570 50 0 DHAARN COc1ccc2cc(CNc3nn4cc(C)nc4s3)ccc2c1 ZINC000026700241 563426593 /nfs/dbraw/zinc/42/65/93/563426593.db2.gz QHWFUYKFCKOGTQ-UHFFFAOYSA-N 0 0 324.409 3.873 50 0 DHAARN Cc1noc(C)c1CN(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000027031491 563427339 /nfs/dbraw/zinc/42/73/39/563427339.db2.gz AQLWBVZIMLGFHU-UHFFFAOYSA-N 0 0 324.428 3.726 50 0 DHAARN CNC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000027036868 563427379 /nfs/dbraw/zinc/42/73/79/563427379.db2.gz JPXMNJLBQYGMMQ-UHFFFAOYSA-N 0 0 324.163 3.572 50 0 DHAARN C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027294082 563427422 /nfs/dbraw/zinc/42/74/22/563427422.db2.gz ORQLDEOGIGMQGB-UONOGXRCSA-N 0 0 312.413 3.569 50 0 DHAARN CC(C)c1nc2cc(N[C@H](C(N)=O)c3ccccc3)ccc2o1 ZINC000027044968 563427425 /nfs/dbraw/zinc/42/74/25/563427425.db2.gz KMVQBTCTWIALRK-INIZCTEOSA-N 0 0 309.369 3.590 50 0 DHAARN Cc1cc(CS[C@H](C)C(=O)Nc2ccccc2Cl)no1 ZINC000027190941 563427493 /nfs/dbraw/zinc/42/74/93/563427493.db2.gz GRRVLPGPTXZXAH-SNVBAGLBSA-N 0 0 310.806 3.897 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1cccs1 ZINC000026933493 563427518 /nfs/dbraw/zinc/42/75/18/563427518.db2.gz IUCFOAIZURWLOA-UHFFFAOYSA-N 0 0 313.422 3.999 50 0 DHAARN Cc1nsc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)n1 ZINC000027750005 563429507 /nfs/dbraw/zinc/42/95/07/563429507.db2.gz WRBCBHWRTMUQGP-NSHDSACASA-N 0 0 319.430 3.684 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000027759928 563429619 /nfs/dbraw/zinc/42/96/19/563429619.db2.gz ZQFROAJNAJEGRM-CYBMUJFWSA-N 0 0 300.402 3.858 50 0 DHAARN COc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1Cl ZINC000027794707 563430194 /nfs/dbraw/zinc/43/01/94/563430194.db2.gz NJMFSFFONFALKF-VIFPVBQESA-N 0 0 320.776 3.714 50 0 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50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)NC2CCCCC2)no1 ZINC000035511319 563453269 /nfs/dbraw/zinc/45/32/69/563453269.db2.gz RUUDZFLLJOGBMQ-HNNXBMFYSA-N 0 0 305.422 3.977 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)no1 ZINC000035511382 563453481 /nfs/dbraw/zinc/45/34/81/563453481.db2.gz FYWHYRSHRVDSLP-CQSZACIVSA-N 0 0 307.300 3.630 50 0 DHAARN CCOc1ccc(NC(=O)c2ccc(-c3noc(C)n3)cc2)cc1 ZINC000032971403 563453908 /nfs/dbraw/zinc/45/39/08/563453908.db2.gz WMGDEHXPDWHMPW-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN Nc1scc(-c2ccncc2)c1C(=O)OC1CCCCC1 ZINC000036224751 563454796 /nfs/dbraw/zinc/45/47/96/563454796.db2.gz TUNYFVDLPHNMGX-UHFFFAOYSA-N 0 0 302.399 3.882 50 0 DHAARN CCC(=O)Nc1cc(NC(=O)c2ccccc2F)ccc1C ZINC000036567253 563455415 /nfs/dbraw/zinc/45/54/15/563455415.db2.gz LFFYPKBGFCSEAY-UHFFFAOYSA-N 0 0 300.333 3.735 50 0 DHAARN FC(F)(F)c1ccc(Br)c(Br)n1 ZINC000036533687 563455423 /nfs/dbraw/zinc/45/54/23/563455423.db2.gz ZNXWEXDLRUCUPC-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN Cc1c2c(nn1-c1ccccc1)c(N1CCC(C)CC1)nnc2C ZINC000036646266 563456614 /nfs/dbraw/zinc/45/66/14/563456614.db2.gz OYIVOOJZPZJJGK-UHFFFAOYSA-N 0 0 321.428 3.669 50 0 DHAARN CC(=O)c1nnc(-c2ccc(C)cc2)n1Nc1ccc(C)cc1 ZINC000036649177 563456936 /nfs/dbraw/zinc/45/69/36/563456936.db2.gz SBBNRPJGWPWYGP-UHFFFAOYSA-N 0 0 306.369 3.640 50 0 DHAARN CCOc1ccc(F)cc1NC(=O)[C@H](OC)c1ccccc1 ZINC000066494058 563457861 /nfs/dbraw/zinc/45/78/61/563457861.db2.gz BRWWZXXOBHJXST-MRXNPFEDSA-N 0 0 303.333 3.551 50 0 DHAARN C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1F ZINC000032983387 563458132 /nfs/dbraw/zinc/45/81/32/563458132.db2.gz FJJYWIGNFNBREC-NSHDSACASA-N 0 0 305.374 3.728 50 0 DHAARN CCOc1ccc(NC2CCN(CC(F)(F)F)CC2)cc1 ZINC000037189374 563458297 /nfs/dbraw/zinc/45/82/97/563458297.db2.gz CZMPSHIIGLJGNC-UHFFFAOYSA-N 0 0 302.340 3.524 50 0 DHAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCn2c(nc3ccccc32)C1 ZINC000032995601 563459697 /nfs/dbraw/zinc/45/96/97/563459697.db2.gz TXUVRBNWVPECOS-OAHLLOKOSA-N 0 0 319.408 3.854 50 0 DHAARN O=C(c1cccc(-c2noc(-c3ccco3)n2)c1)N1CCCCC1 ZINC000032996625 563459930 /nfs/dbraw/zinc/45/99/30/563459930.db2.gz VHDDKSOAXYZQMT-UHFFFAOYSA-N 0 0 323.352 3.623 50 0 DHAARN C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)ccc2=O)cc1 ZINC000044901640 563463728 /nfs/dbraw/zinc/46/37/28/563463728.db2.gz CXBWUMVDFAFHFQ-UHFFFAOYSA-N 0 0 318.376 3.610 50 0 DHAARN CC(C)C(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000033019680 563464398 /nfs/dbraw/zinc/46/43/98/563464398.db2.gz WMEOWBCKFXEQRI-UHFFFAOYSA-N 0 0 321.424 3.953 50 0 DHAARN CCc1ccc(-n2nc3oc4cc(OC)ccc4cc-3c2=O)cc1 ZINC000033020921 563464637 /nfs/dbraw/zinc/46/46/37/563464637.db2.gz ZGAGQEVCMSAXCH-UHFFFAOYSA-N 0 0 320.348 3.655 50 0 DHAARN COC(=O)c1ccccc1NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000048512639 563466513 /nfs/dbraw/zinc/46/65/13/563466513.db2.gz QISBVAFMHHDVLJ-UHFFFAOYSA-N 0 0 308.337 3.515 50 0 DHAARN COc1cc(Br)cc2c(Cl)nc(Cl)nc12 ZINC000085224074 563466888 /nfs/dbraw/zinc/46/68/88/563466888.db2.gz SKBFVHGHVQYHSR-UHFFFAOYSA-N 0 0 307.962 3.708 50 0 DHAARN CCOc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 ZINC000048376711 563466784 /nfs/dbraw/zinc/46/67/84/563466784.db2.gz YXXNBMHVCKJRAT-UHFFFAOYSA-N 0 0 307.752 3.808 50 0 DHAARN Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccccc3)c12 ZINC000049548492 563467262 /nfs/dbraw/zinc/46/72/62/563467262.db2.gz DCGOQJYTUKPWQR-UHFFFAOYSA-N 0 0 309.369 3.585 50 0 DHAARN Cc1nc(Cl)cc(N2CCC(Sc3ccccn3)CC2)n1 ZINC000071922392 563469916 /nfs/dbraw/zinc/46/99/16/563469916.db2.gz BNGSECCXSCOOEN-UHFFFAOYSA-N 0 0 320.849 3.595 50 0 DHAARN Cc1cc(C(=O)NCCCc2cccnc2)c2cccc(C)c2n1 ZINC000055060761 563470912 /nfs/dbraw/zinc/47/09/12/563470912.db2.gz HRFCNZBOSCZRQE-UHFFFAOYSA-N 0 0 319.408 3.609 50 0 DHAARN Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2ccc[nH]2)c1 ZINC000055091060 563471004 /nfs/dbraw/zinc/47/10/04/563471004.db2.gz RDOAXXNDAUSHTN-UHFFFAOYSA-N 0 0 319.364 3.828 50 0 DHAARN CCCCc1nc(CN(Cc2ccccn2)CC(C)C)c[nH]1 ZINC000055060549 563471225 /nfs/dbraw/zinc/47/12/25/563471225.db2.gz MRYMGNNASMEVJY-UHFFFAOYSA-N 0 0 300.450 3.806 50 0 DHAARN CCC(CC)n1ncc(C)c1NC(=O)c1cccc2nccnc21 ZINC000055109172 563471689 /nfs/dbraw/zinc/47/16/89/563471689.db2.gz AMGHDYLODKPKMA-UHFFFAOYSA-N 0 0 323.400 3.748 50 0 DHAARN CC(=O)c1cc(CC(=O)Nc2ccnn2[C@@H](C)C(C)C)cs1 ZINC000055212088 563473009 /nfs/dbraw/zinc/47/30/09/563473009.db2.gz JNFJCLZYDSQZGH-NSHDSACASA-N 0 0 319.430 3.545 50 0 DHAARN Cc1ccc(N2CCN(Cc3ccc(F)cc3F)CC2)cc1 ZINC000055291878 563473966 /nfs/dbraw/zinc/47/39/66/563473966.db2.gz CDOJPKCCMUORJC-UHFFFAOYSA-N 0 0 302.368 3.595 50 0 DHAARN CCCCN(CC)C(=O)c1cc(C[NH+]2CCCC2)c(CC)o1 ZINC000055371639 563474804 /nfs/dbraw/zinc/47/48/04/563474804.db2.gz QEDZEYCAMCCRKM-UHFFFAOYSA-N 0 0 306.450 3.700 50 0 DHAARN COCCN(Cc1ccsc1)c1nc(C)nc2sccc21 ZINC000055386229 563475310 /nfs/dbraw/zinc/47/53/10/563475310.db2.gz BMVROMQBILWRFK-UHFFFAOYSA-N 0 0 319.455 3.714 50 0 DHAARN CCOc1ccccc1CN(Cc1nn(C)cc1Cl)C1CC1 ZINC000055386514 563475396 /nfs/dbraw/zinc/47/53/96/563475396.db2.gz VGNBNYKJVFPGJX-UHFFFAOYSA-N 0 0 319.836 3.637 50 0 DHAARN C[C@@H](c1ccon1)N(C)C(=O)CSCc1ccccc1Cl ZINC000055404986 563475682 /nfs/dbraw/zinc/47/56/82/563475682.db2.gz ASJJMEHVQNCINV-NSHDSACASA-N 0 0 324.833 3.781 50 0 DHAARN Cc1ccc(Nc2nc3ccccc3n3cnnc23)cc1Cl ZINC000004622486 563477401 /nfs/dbraw/zinc/47/74/01/563477401.db2.gz KBPQGNZRNGHBIN-UHFFFAOYSA-N 0 0 309.760 3.983 50 0 DHAARN Cc1cc2cc(CNC(=S)NCc3ccccc3)ccc2n1C ZINC000013878777 563477855 /nfs/dbraw/zinc/47/78/55/563477855.db2.gz LEQLIZOPUUBOQK-UHFFFAOYSA-N 0 0 323.465 3.651 50 0 DHAARN O=C(Nc1cccc2[nH]c(C(F)(F)F)nc21)c1ccc(F)cc1 ZINC000004625387 563478031 /nfs/dbraw/zinc/47/80/31/563478031.db2.gz YXRHRAYYGBYARX-UHFFFAOYSA-N 0 0 323.249 3.973 50 0 DHAARN c1nc2sc3c(c2c(N2CCCSCC2)n1)CCCC3 ZINC000058369658 563478710 /nfs/dbraw/zinc/47/87/10/563478710.db2.gz OOEDXXSOLNPCLY-UHFFFAOYSA-N 0 0 305.472 3.513 50 0 DHAARN C[C@H](CC[C@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000058341163 563478754 /nfs/dbraw/zinc/47/87/54/563478754.db2.gz ZXMYTRSBCJPMFG-CZUORRHYSA-N 0 0 321.848 3.836 50 0 DHAARN CC(C)(C)c1nc(C(C)(C)NC(=O)c2ccccc2Cl)no1 ZINC000058342484 563478897 /nfs/dbraw/zinc/47/88/97/563478897.db2.gz MHIAOQPVCBNPLE-UHFFFAOYSA-N 0 0 321.808 3.686 50 0 DHAARN O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccsc1 ZINC000011181954 563479430 /nfs/dbraw/zinc/47/94/30/563479430.db2.gz RFAWLNYDJSYDHR-UHFFFAOYSA-N 0 0 312.350 3.846 50 0 DHAARN O=C(NCCc1ccccn1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000096404781 563479561 /nfs/dbraw/zinc/47/95/61/563479561.db2.gz XHUPBAUHPCJXNU-VQTJNVASSA-N 0 0 316.404 3.697 50 0 DHAARN O=C(CC[C@H]1CCCO1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000096411064 563480200 /nfs/dbraw/zinc/48/02/00/563480200.db2.gz HGTUXKZZRJNRHC-TZMCWYRMSA-N 0 0 319.298 3.505 50 0 DHAARN CCOc1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1 ZINC000004637309 563480970 /nfs/dbraw/zinc/48/09/70/563480970.db2.gz NRHIKTBEQKKPLN-UHFFFAOYSA-N 0 0 308.337 3.563 50 0 DHAARN C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H](c2ccco2)C1 ZINC000096441258 563482021 /nfs/dbraw/zinc/48/20/21/563482021.db2.gz LGVWFPJDLYZDDW-RISCZKNCSA-N 0 0 300.358 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/nfs/dbraw/zinc/48/88/26/563488826.db2.gz KPRGVTOFJAVYPF-UHFFFAOYSA-N 0 0 317.751 3.795 50 0 DHAARN Cc1nc(CN(C)Cc2csc(-c3cccs3)n2)c[nH]1 ZINC000067769611 563490502 /nfs/dbraw/zinc/49/05/02/563490502.db2.gz MLYHZOUOLGHTQA-UHFFFAOYSA-N 0 0 304.444 3.535 50 0 DHAARN CC(C)(NC(=O)CCc1cn[nH]c1)c1cccc2ccccc21 ZINC000067841872 563492049 /nfs/dbraw/zinc/49/20/49/563492049.db2.gz OCEDIJFARPQNTK-UHFFFAOYSA-N 0 0 307.397 3.547 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)[C@]1(c2cccs2)CC1(C)C ZINC000067934042 563493487 /nfs/dbraw/zinc/49/34/87/563493487.db2.gz IOWMKMIMFKZZNY-QGZVFWFLSA-N 0 0 318.442 3.679 50 0 DHAARN Cc1ccccc1[C@H](NC(=O)Cc1ccncc1)c1ccccc1 ZINC000067965139 563494111 /nfs/dbraw/zinc/49/41/11/563494111.db2.gz SWBQEYBYXIAUGR-OAQYLSRUSA-N 0 0 316.404 3.838 50 0 DHAARN CC[C@H](C(=O)N1Cc2cnc(CC(C)C)nc2C1)c1ccccc1 ZINC000067934992 563494181 /nfs/dbraw/zinc/49/41/81/563494181.db2.gz RMKQLBDWLVLLCT-KRWDZBQOSA-N 0 0 323.440 3.711 50 0 DHAARN CC(=O)c1ccc(NC(=O)CCN2CCCc3ccccc32)cc1 ZINC000022197391 563495755 /nfs/dbraw/zinc/49/57/55/563495755.db2.gz VTRWJPUHASUBLI-UHFFFAOYSA-N 0 0 322.408 3.671 50 0 DHAARN O=C(Nc1cc(F)c2[nH]c(=O)ccc2c1)c1cccc(Cl)c1 ZINC000033127223 563496988 /nfs/dbraw/zinc/49/69/88/563496988.db2.gz KOCWYRQNTPFTPH-UHFFFAOYSA-N 0 0 316.719 3.573 50 0 DHAARN O=C(Nc1cccc(Cl)c1F)[C@@H]1CC(c2ccccc2)=NO1 ZINC000033155729 563497795 /nfs/dbraw/zinc/49/77/95/563497795.db2.gz SZHKCLPPIFYHDN-AWEZNQCLSA-N 0 0 318.735 3.611 50 0 DHAARN Cc1noc(C)c1CN(C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000071278707 563498394 /nfs/dbraw/zinc/49/83/94/563498394.db2.gz BKJJHPKEGIFRKL-HNNXBMFYSA-N 0 0 306.431 3.836 50 0 DHAARN Cc1cc(C)n2nc(-c3cccc(Br)c3)cc2n1 ZINC000000053342 563498794 /nfs/dbraw/zinc/49/87/94/563498794.db2.gz XZYBLTKBGVPSSO-UHFFFAOYSA-N 0 0 302.175 3.776 50 0 DHAARN CCc1cc(-c2nccn2C[C@@H](OC)c2cccs2)on1 ZINC000071388735 563499208 /nfs/dbraw/zinc/49/92/08/563499208.db2.gz FRILQZHSABVAMH-CYBMUJFWSA-N 0 0 303.387 3.550 50 0 DHAARN Cc1nc(Cn2ccnc2-c2ccc(O)c(Cl)c2)cs1 ZINC000071388832 563499234 /nfs/dbraw/zinc/49/92/34/563499234.db2.gz CDXHCEKEORONMC-UHFFFAOYSA-N 0 0 305.790 3.722 50 0 DHAARN CCc1cnc(C)nc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071422280 563499452 /nfs/dbraw/zinc/49/94/52/563499452.db2.gz MNTLDVWBISBXHN-MRXNPFEDSA-N 0 0 317.820 3.579 50 0 DHAARN CCC[C@H]1c2[nH]cnc2CCN1Cc1c(F)c(F)ccc1OC ZINC000071416285 563499531 /nfs/dbraw/zinc/49/95/31/563499531.db2.gz ZAXPNVFYYHQYDD-AWEZNQCLSA-N 0 0 321.371 3.596 50 0 DHAARN CCc1cnc(C)nc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071422279 563499863 /nfs/dbraw/zinc/49/98/63/563499863.db2.gz MNTLDVWBISBXHN-INIZCTEOSA-N 0 0 317.820 3.579 50 0 DHAARN COc1ccccc1-c1nccn1CCc1nc2ccccc2[nH]1 ZINC000071614573 563500502 /nfs/dbraw/zinc/50/05/02/563500502.db2.gz DVGWALCQLNRVMM-UHFFFAOYSA-N 0 0 318.380 3.678 50 0 DHAARN COC(=O)Nc1ccc(-c2ccc(NC(=O)OC)cc2)cc1 ZINC000071772685 563500635 /nfs/dbraw/zinc/50/06/35/563500635.db2.gz VLPBGAPTYGNIII-UHFFFAOYSA-N 0 0 300.314 3.710 50 0 DHAARN CCc1ccc(-c2nccn2CCc2nc3c(c(C)n2)CCC3)o1 ZINC000071614371 563500799 /nfs/dbraw/zinc/50/07/99/563500799.db2.gz GUUWKOUMECAVDK-UHFFFAOYSA-N 0 0 322.412 3.535 50 0 DHAARN Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000033192994 563500880 /nfs/dbraw/zinc/50/08/80/563500880.db2.gz OMQKTWOGOYWOPO-ZCFIWIBFSA-N 0 0 318.229 3.588 50 0 DHAARN COc1ccccc1CNC(=O)c1cc(C)nc2c(C)cccc12 ZINC000033252832 563502122 /nfs/dbraw/zinc/50/21/22/563502122.db2.gz GOGJDJRAAVZIMQ-UHFFFAOYSA-N 0 0 320.392 3.790 50 0 DHAARN Cc1ccsc1-c1nccn1Cc1ccccc1-n1cncn1 ZINC000072149617 563502592 /nfs/dbraw/zinc/50/25/92/563502592.db2.gz HZWPOEJAIQEPDH-UHFFFAOYSA-N 0 0 321.409 3.549 50 0 DHAARN O=C(Nc1cnns1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000097105271 563505234 /nfs/dbraw/zinc/50/52/34/563505234.db2.gz XKIBBPQSQIQVRR-NXEZZACHSA-N 0 0 314.197 3.587 50 0 DHAARN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc3sncc3c1)C2 ZINC000097102761 563505494 /nfs/dbraw/zinc/50/54/94/563505494.db2.gz DFHVCWZHLWRKJD-MRXNPFEDSA-N 0 0 324.405 3.855 50 0 DHAARN CC(=O)Nc1ccc(F)c(NC(=O)N([C@@H](C)C(C)C)C2CC2)c1 ZINC000097103645 563505534 /nfs/dbraw/zinc/50/55/34/563505534.db2.gz QORJPCQVKSOJLU-NSHDSACASA-N 0 0 321.396 3.825 50 0 DHAARN C[C@H](c1ccccn1)N(C)Cc1cnc(-c2cccnc2)s1 ZINC000097113652 563505830 /nfs/dbraw/zinc/50/58/30/563505830.db2.gz AYOOZIIJVRNMPG-CYBMUJFWSA-N 0 0 310.426 3.793 50 0 DHAARN COc1cc(F)cc(NC(=O)NC[C@H](C)c2nc(C)cs2)c1 ZINC000097113391 563505933 /nfs/dbraw/zinc/50/59/33/563505933.db2.gz OIJVFABYAVLGNU-VIFPVBQESA-N 0 0 323.393 3.524 50 0 DHAARN CSCc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000077355949 563508979 /nfs/dbraw/zinc/50/89/79/563508979.db2.gz DQCZQLLCSGUQGA-CYBMUJFWSA-N 0 0 319.401 3.911 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1ccccn1 ZINC000077338592 563509304 /nfs/dbraw/zinc/50/93/04/563509304.db2.gz PZYGLICEVUEKDA-LJQANCHMSA-N 0 0 319.408 3.859 50 0 DHAARN COc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000077378389 563510148 /nfs/dbraw/zinc/51/01/48/563510148.db2.gz VEHTZDDWEQAFTK-MRXNPFEDSA-N 0 0 314.360 3.597 50 0 DHAARN c1ccc(-c2noc(N3CCc4[nH]c5ccccc5c4C3)n2)cc1 ZINC000077520547 563511741 /nfs/dbraw/zinc/51/17/41/563511741.db2.gz CSCFJAUQURVFDL-UHFFFAOYSA-N 0 0 316.364 3.781 50 0 DHAARN CCN1c2ccc(NC(=O)c3ccco3)c3cccc(c23)C1=O ZINC000000046806 563512494 /nfs/dbraw/zinc/51/24/94/563512494.db2.gz LLNMCBMQHAWDIK-UHFFFAOYSA-N 0 0 306.321 3.665 50 0 biogenic DHAARN Cc1ccc([C@@H]2C[C@H]2C(=O)NCCCCc2nccs2)s1 ZINC000097212297 563513368 /nfs/dbraw/zinc/51/33/68/563513368.db2.gz DRWQZOUSCWBZFY-CHWSQXEVSA-N 0 0 320.483 3.756 50 0 DHAARN Cc1nc(C)c(-c2cc(C(=O)NC3CCCCCC3)[nH]n2)s1 ZINC000023125544 563513977 /nfs/dbraw/zinc/51/39/77/563513977.db2.gz QBQBUQYMYPFMPR-UHFFFAOYSA-N 0 0 318.446 3.603 50 0 DHAARN Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000097236402 563514618 /nfs/dbraw/zinc/51/46/18/563514618.db2.gz KGBMESAKYGXBID-UHFFFAOYSA-N 0 0 324.302 3.735 50 0 DHAARN Cc1csc2nc(COc3ccc(C(C)C)cc3)cc(=O)n12 ZINC000011286725 563518366 /nfs/dbraw/zinc/51/83/66/563518366.db2.gz AVDUMFVNCPINHR-UHFFFAOYSA-N 0 0 314.410 3.767 50 0 DHAARN Cc1cccc(NC(=O)COc2nc(C)nc3ccccc32)c1C ZINC000033287275 563518682 /nfs/dbraw/zinc/51/86/82/563518682.db2.gz HMSFPFKBSVAPHQ-UHFFFAOYSA-N 0 0 321.380 3.573 50 0 DHAARN Cc1nnc(NC(=O)[C@@H](c2cccnc2)C2CCCCC2)s1 ZINC000585141680 563519150 /nfs/dbraw/zinc/51/91/50/563519150.db2.gz WVGGRYKOUVQOPP-CQSZACIVSA-N 0 0 316.430 3.544 50 0 DHAARN O=C(NCCc1ccco1)[C@H](c1cccnc1)C1CCCCC1 ZINC000585141297 563519289 /nfs/dbraw/zinc/51/92/89/563519289.db2.gz SCLBABVWVKCZNA-SFHVURJKSA-N 0 0 312.413 3.697 50 0 DHAARN Cc1nc(-c2cc3cc(C)ccc3nc2N2CCCCC2)no1 ZINC000033318180 563520450 /nfs/dbraw/zinc/52/04/50/563520450.db2.gz QXLXFHBFPXSVNL-UHFFFAOYSA-N 0 0 308.385 3.892 50 0 DHAARN O=S(=O)(c1ccccc1Br)C1CCCCC1 ZINC000085476886 563520631 /nfs/dbraw/zinc/52/06/31/563520631.db2.gz IWSGDIBOLMNHFL-UHFFFAOYSA-N 0 0 303.221 3.556 50 0 DHAARN CC(C)OCCCN1C(=O)CC[C@@H]1c1c[nH]c2ccccc21 ZINC000085430372 563520683 /nfs/dbraw/zinc/52/06/83/563520683.db2.gz CCTKJNVTMGMWNP-QGZVFWFLSA-N 0 0 300.402 3.647 50 0 DHAARN CC(=O)N[C@H](c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000085477093 563521109 /nfs/dbraw/zinc/52/11/09/563521109.db2.gz PSKDXRNMWQZMIY-HNNXBMFYSA-N 0 0 322.177 3.814 50 0 DHAARN Cc1ccsc1CCC(=O)NCc1ccc(C2CC2)nc1 ZINC000585150471 563521678 /nfs/dbraw/zinc/52/16/78/563521678.db2.gz XPJCIRDULHKOMT-UHFFFAOYSA-N 0 0 300.427 3.578 50 0 DHAARN O=C(Nc1cccs1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000585148838 563522043 /nfs/dbraw/zinc/52/20/43/563522043.db2.gz JDAPELLZTNOGFV-AWEZNQCLSA-N 0 0 314.410 3.704 50 0 DHAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC)cc21 ZINC000000077013 563523205 /nfs/dbraw/zinc/52/32/05/563523205.db2.gz YMRBBUIXCMTGPC-UHFFFAOYSA-N 0 0 313.147 3.689 50 0 DHAARN COc1ccc(C(=O)N[C@H](C)Cc2c[nH]c3ccccc23)cc1 ZINC000000075044 563523605 /nfs/dbraw/zinc/52/36/05/563523605.db2.gz OFXZWDDMPDDQKS-CYBMUJFWSA-N 0 0 308.381 3.538 50 0 biogenic DHAARN CCOC(=O)[C@@H](CC)Sc1ncnc2sc(C)c(C)c21 ZINC000000084937 563524605 /nfs/dbraw/zinc/52/46/05/563524605.db2.gz KOZUMENWZGTFCI-SNVBAGLBSA-N 0 0 310.444 3.742 50 0 DHAARN O=C(NCc1cccc2c1OCO2)c1c(Cl)cccc1Cl ZINC000176092579 563526956 /nfs/dbraw/zinc/52/69/56/563526956.db2.gz ABTCIVIWHBNUCV-UHFFFAOYSA-N 0 0 324.163 3.652 50 0 DHAARN Cc1ccc(C)n1-n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000000090232 563528435 /nfs/dbraw/zinc/52/84/35/563528435.db2.gz QBJMILOEJHLDCC-UHFFFAOYSA-N 0 0 321.405 3.855 50 0 DHAARN Cc1cc(C(F)(F)F)cc(=O)n1Cc1cc(F)c(F)c(F)c1 ZINC000095388658 563529690 /nfs/dbraw/zinc/52/96/90/563529690.db2.gz ABJOTYSPPIBIBU-UHFFFAOYSA-N 0 0 321.220 3.641 50 0 DHAARN Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095384200 563529841 /nfs/dbraw/zinc/52/98/41/563529841.db2.gz ABBMUIVGHKAWDP-OAHLLOKOSA-N 0 0 316.426 3.529 50 0 DHAARN COCCOc1cccc(NC(=O)N[C@@H](C)c2ccsc2)c1 ZINC000096132105 563533355 /nfs/dbraw/zinc/53/33/55/563533355.db2.gz YKBGVDWWTHTOGX-LBPRGKRZSA-N 0 0 320.414 3.656 50 0 DHAARN O=C(c1ccc(-c2cccc(CN3CCOCC3)c2)cc1)C1CC1 ZINC000096164861 563534886 /nfs/dbraw/zinc/53/48/86/563534886.db2.gz LOJBMZGHUZUOKM-UHFFFAOYSA-N 0 0 321.420 3.779 50 0 DHAARN Cc1ccc(-c2nc(Cn3cc(C=O)c4ccccc43)no2)cc1 ZINC000096287940 563536382 /nfs/dbraw/zinc/53/63/82/563536382.db2.gz CKNUETFAMCOQOR-UHFFFAOYSA-N 0 0 317.348 3.861 50 0 DHAARN Cc1nc(C)c(C(=O)N2CCC3(C=Cc4ccccc43)CC2)s1 ZINC000097323888 563538750 /nfs/dbraw/zinc/53/87/50/563538750.db2.gz XGXWHASLPRUAAA-UHFFFAOYSA-N 0 0 324.449 3.961 50 0 DHAARN CC(=O)c1cccc(NC(=O)CCOc2cc(C)cc(C)c2)c1 ZINC000011637504 563539310 /nfs/dbraw/zinc/53/93/10/563539310.db2.gz FKZIZTIIMJIVLE-UHFFFAOYSA-N 0 0 311.381 3.914 50 0 DHAARN Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(C)n1 ZINC000097529067 563539941 /nfs/dbraw/zinc/53/99/41/563539941.db2.gz PTTOMTINPYCXLO-FUHWJXTLSA-N 0 0 309.413 3.550 50 0 DHAARN Fc1ccccc1OC1CN(Cc2cccc3ncccc23)C1 ZINC000097532387 563540599 /nfs/dbraw/zinc/54/05/99/563540599.db2.gz DXWCVTCTXQMOBW-UHFFFAOYSA-N 0 0 308.356 3.637 50 0 DHAARN Cc1cc(C)n([C@H]2CCN(Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000097638025 563540847 /nfs/dbraw/zinc/54/08/47/563540847.db2.gz TYAOODCTZLUJDT-SFHVURJKSA-N 0 0 322.412 3.602 50 0 DHAARN Cc1cc([C@H]2CCCN2Cc2nc3c(s2)CCCC3)no1 ZINC000097636596 563540907 /nfs/dbraw/zinc/54/09/07/563540907.db2.gz GRAUVNAPTAPFLP-CQSZACIVSA-N 0 0 303.431 3.655 50 0 DHAARN Cc1cc(C)n([C@@H]2CCN(Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000097638024 563541261 /nfs/dbraw/zinc/54/12/61/563541261.db2.gz TYAOODCTZLUJDT-GOSISDBHSA-N 0 0 322.412 3.602 50 0 DHAARN C[C@H](C(=O)NC(C)(C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073078 563543844 /nfs/dbraw/zinc/54/38/44/563543844.db2.gz LQMFUZBWURRUDT-AWEZNQCLSA-N 0 0 309.409 3.936 50 0 DHAARN CN(Cc1ccc(F)cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000072303970 563544090 /nfs/dbraw/zinc/54/40/90/563544090.db2.gz GDRLAZUENBEYJY-UHFFFAOYSA-N 0 0 311.360 3.981 50 0 DHAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)cc1 ZINC000100433208 563550620 /nfs/dbraw/zinc/55/06/20/563550620.db2.gz RKKLIEBUYSWXJI-UHFFFAOYSA-N 0 0 302.786 3.636 50 0 DHAARN Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)cc1 ZINC000100716219 563552682 /nfs/dbraw/zinc/55/26/82/563552682.db2.gz ZUGXHHDSFVKTTL-KRWDZBQOSA-N 0 0 306.344 3.782 50 0 DHAARN COc1cc(Cl)cc(C[C@@H]2C(=O)Nc3ccccc32)c1OC ZINC000101016135 563555604 /nfs/dbraw/zinc/55/56/04/563555604.db2.gz OESDWFGOPXOMIQ-ZDUSSCGKSA-N 0 0 317.772 3.636 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1cccnc1 ZINC000257173619 563567599 /nfs/dbraw/zinc/56/75/99/563567599.db2.gz SKKUJLIXROWCPC-UHFFFAOYSA-N 0 0 307.328 3.843 50 0 DHAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)c(C)c3)cc2c1 ZINC000000105734 563570282 /nfs/dbraw/zinc/57/02/82/563570282.db2.gz SYBBTLZRSZMOKX-UHFFFAOYSA-N 0 0 323.348 3.671 50 0 DHAARN O=C(/C=C/c1ccccc1)Nc1ncnc2sc3c(c21)CCC3 ZINC000000112046 563570849 /nfs/dbraw/zinc/57/08/49/563570849.db2.gz YWVDVMTXIPBVHB-MDZDMXLPSA-N 0 0 321.405 3.832 50 0 DHAARN c1sc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 ZINC000000148103 563573192 /nfs/dbraw/zinc/57/31/92/563573192.db2.gz OUFSQXMTQSPKME-ZDUSSCGKSA-N 0 0 311.410 3.949 50 0 DHAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2C1 ZINC000000189364 563576088 /nfs/dbraw/zinc/57/60/88/563576088.db2.gz APFDZGGENIGECX-LLVKDONJSA-N 0 0 315.442 3.586 50 0 DHAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccncc1 ZINC000000182993 563576121 /nfs/dbraw/zinc/57/61/21/563576121.db2.gz OYQSAZUKDCGCTR-UHFFFAOYSA-N 0 0 314.348 3.649 50 0 DHAARN COc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1OC ZINC000000187715 563576200 /nfs/dbraw/zinc/57/62/00/563576200.db2.gz WBOBDUZFFVDFJJ-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN CCC(=O)Nc1nc2ccc3nc(SC)sc3c2s1 ZINC000000190423 563576691 /nfs/dbraw/zinc/57/66/91/563576691.db2.gz WBRLOVKKVHEQDN-UHFFFAOYSA-N 0 0 309.441 3.976 50 0 DHAARN CC(=O)[C@@H]1C[C@H](C(=O)O[C@@H](C(C)(C)C)C(F)(F)F)C1(C)C ZINC000159171062 563577365 /nfs/dbraw/zinc/57/73/65/563577365.db2.gz GNBUINCYKRBNLZ-UMNHJUIQSA-N 0 0 308.340 3.758 50 0 DHAARN CCCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1ccccc1 ZINC000000200802 563577463 /nfs/dbraw/zinc/57/74/63/563577463.db2.gz MLDGPBSUDILVNQ-OAHLLOKOSA-N 0 0 321.424 3.866 50 0 DHAARN COc1ccc(CC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000000201797 563577865 /nfs/dbraw/zinc/57/78/65/563577865.db2.gz GBRCEHJRYNZBFN-DNVCBOLYSA-N 0 0 301.430 3.665 50 0 biogenic DHAARN Cc1ccc(N2C(=S)N=NC2c2cccnc2)cc1Cl ZINC000000221623 563579069 /nfs/dbraw/zinc/57/90/69/563579069.db2.gz BZWVWJXIMCEEFG-UHFFFAOYSA-N 0 0 302.790 3.580 50 0 DHAARN COCCCc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1 ZINC000050179047 563580285 /nfs/dbraw/zinc/58/02/85/563580285.db2.gz DFHSHYRKVHKYHU-UHFFFAOYSA-N 0 0 314.410 3.539 50 0 DHAARN Cc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)cc1C ZINC000000252048 563582428 /nfs/dbraw/zinc/58/24/28/563582428.db2.gz DXLKWSGKISRBOK-CQSZACIVSA-N 0 0 305.381 3.700 50 0 DHAARN O=C(CSCc1ccccc1F)NCc1ccc(F)cc1 ZINC000000260358 563583593 /nfs/dbraw/zinc/58/35/93/563583593.db2.gz AQBOATRVXAEECQ-UHFFFAOYSA-N 0 0 307.365 3.514 50 0 DHAARN Cc1cn(CC(=O)N(C)[C@@H](C)c2ccncc2)c2ccccc12 ZINC000050355274 563584694 /nfs/dbraw/zinc/58/46/94/563584694.db2.gz UQFRWRCPSIZRHD-HNNXBMFYSA-N 0 0 307.397 3.564 50 0 DHAARN CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc21 ZINC000000314085 563587380 /nfs/dbraw/zinc/58/73/80/563587380.db2.gz OQQQBVMMAFNRHE-UHFFFAOYSA-N 0 0 313.353 3.776 50 0 biogenic DHAARN Clc1ccc(-c2csc(N3CCOCC3)n2)c(Cl)c1 ZINC000000310620 563587690 /nfs/dbraw/zinc/58/76/90/563587690.db2.gz IXDNGVLGGCIRDA-UHFFFAOYSA-N 0 0 315.225 3.954 50 0 DHAARN CCCCCN1C(=S)N=NC1COc1ccccc1Cl ZINC000011692599 563588327 /nfs/dbraw/zinc/58/83/27/563588327.db2.gz PTABUONLHCOOBG-UHFFFAOYSA-N 0 0 311.838 3.989 50 0 DHAARN CN(C)c1ccc(NC(=O)c2scc3c2CCCC3)cc1 ZINC000000340376 563589303 /nfs/dbraw/zinc/58/93/03/563589303.db2.gz ZIYSWGHTGMTOOD-UHFFFAOYSA-N 0 0 300.427 3.945 50 0 DHAARN O=C(c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000011693773 563589396 /nfs/dbraw/zinc/58/93/96/563589396.db2.gz KAJPJTZWAPGOFN-MRXNPFEDSA-N 0 0 301.773 3.554 50 0 DHAARN CN(C)c1ccc(CCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000011693632 563589622 /nfs/dbraw/zinc/58/96/22/563589622.db2.gz NGABOPLZYOKMNA-UHFFFAOYSA-N 0 0 316.832 3.769 50 0 DHAARN COc1ccc(OC)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000000362391 563590725 /nfs/dbraw/zinc/59/07/25/563590725.db2.gz QARWRMCYFYXMBU-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000000371608 563590674 /nfs/dbraw/zinc/59/06/74/563590674.db2.gz OSIDHIKSKXXEHW-CQSZACIVSA-N 0 0 321.376 3.901 50 0 DHAARN O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2 ZINC000000387904 563595225 /nfs/dbraw/zinc/59/52/25/563595225.db2.gz LQKZLYZBKGTRSC-UHFFFAOYSA-N 0 0 317.772 3.683 50 0 DHAARN COc1ccccc1-c1nc(CSc2n[nH]c(C)n2)cs1 ZINC000011701751 563595622 /nfs/dbraw/zinc/59/56/22/563595622.db2.gz XEMDJWULNBCOBQ-UHFFFAOYSA-N 0 0 318.427 3.538 50 0 DHAARN CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 ZINC000007986983 563598032 /nfs/dbraw/zinc/59/80/32/563598032.db2.gz IDCYJJCFDFVQNS-GFCCVEGCSA-N 0 0 323.421 3.523 50 0 DHAARN COc1cccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000011760587 563598976 /nfs/dbraw/zinc/59/89/76/563598976.db2.gz GCJKKORWQJVICU-ZDUSSCGKSA-N 0 0 316.376 3.737 50 0 DHAARN CCCCCCNC(=O)Nc1ccccc1Cn1cccn1 ZINC000044270542 563599074 /nfs/dbraw/zinc/59/90/74/563599074.db2.gz FRCVAWRHXHABNM-UHFFFAOYSA-N 0 0 300.406 3.633 50 0 DHAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)C2CCC2)c1 ZINC000011814684 563599554 /nfs/dbraw/zinc/59/95/54/563599554.db2.gz HJPAZXOAIHJPLB-SFHVURJKSA-N 0 0 323.440 3.783 50 0 DHAARN Cc1ccc2c(c1)CN(C(=O)c1ccc(F)c(F)c1)C[C@H](C)O2 ZINC000011880439 563600782 /nfs/dbraw/zinc/60/07/82/563600782.db2.gz ZKAHJTGOGQOXLU-LBPRGKRZSA-N 0 0 317.335 3.697 50 0 DHAARN O=C(NCc1ccco1)c1csc2nc(-c3ccccc3)cn12 ZINC000011902388 563601056 /nfs/dbraw/zinc/60/10/56/563601056.db2.gz HMLWHJBJALLLEC-UHFFFAOYSA-N 0 0 323.377 3.586 50 0 DHAARN Cc1cc(OCC(=O)Nc2onc3c2CCCC3)ccc1Cl ZINC000011914319 563601854 /nfs/dbraw/zinc/60/18/54/563601854.db2.gz QAQVKYGFDWGZMO-UHFFFAOYSA-N 0 0 320.776 3.533 50 0 DHAARN Cc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc1 ZINC000100815580 563602797 /nfs/dbraw/zinc/60/27/97/563602797.db2.gz NGTNGCYOERDLKV-VLGSPTGOSA-N 0 0 316.813 3.943 50 0 DHAARN FC(F)(F)c1cnc(Br)cc1Br ZINC000238578035 563602808 /nfs/dbraw/zinc/60/28/08/563602808.db2.gz JXXAAFRFHYSHIL-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN Cc1nc(C)c(CC(=O)Nc2nc(-c3ccco3)cs2)s1 ZINC000044451261 563603006 /nfs/dbraw/zinc/60/30/06/563603006.db2.gz KDMNPFBYZNFOLT-UHFFFAOYSA-N 0 0 319.411 3.658 50 0 DHAARN FC(F)(F)c1nc(Br)ccc1Br ZINC000238580584 563603051 /nfs/dbraw/zinc/60/30/51/563603051.db2.gz POQJAUTYAOPUKZ-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN CC1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000000172448 563606825 /nfs/dbraw/zinc/60/68/25/563606825.db2.gz SSWUVVZTPRVDCS-UHFFFAOYSA-N 0 0 323.845 3.914 50 0 DHAARN COc1ccc(CC(=O)N2CCC[C@H]2c2ccccc2C)cc1 ZINC000055780689 563606841 /nfs/dbraw/zinc/60/68/41/563606841.db2.gz NWKKFZFEXVZLFP-IBGZPJMESA-N 0 0 309.409 3.910 50 0 DHAARN CC[C@@H](NC(=O)C(=O)N[C@H](CC)c1ccccc1)c1ccccc1 ZINC000252571710 563610916 /nfs/dbraw/zinc/61/09/16/563610916.db2.gz YLCGNMOITJLZJM-QZTJIDSGSA-N 0 0 324.424 3.521 50 0 DHAARN CCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O ZINC000000430184 563614059 /nfs/dbraw/zinc/61/40/59/563614059.db2.gz KEPVTCUHXJVXCQ-PTNGSMBKSA-N 0 0 311.312 3.569 50 0 DHAARN Cc1cc(C(N)=O)ccc1NCCOc1ccc2ccccc2c1 ZINC000079159462 563617919 /nfs/dbraw/zinc/61/79/19/563617919.db2.gz JYDCVUKGHYAZOF-UHFFFAOYSA-N 0 0 320.392 3.738 50 0 DHAARN CC(C)COCCC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000078743231 563618025 /nfs/dbraw/zinc/61/80/25/563618025.db2.gz LUUWRVYRJLVTKD-UHFFFAOYSA-N 0 0 307.287 3.846 50 0 DHAARN CC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000001509355 563620964 /nfs/dbraw/zinc/62/09/64/563620964.db2.gz UQMJWIWOFILZGP-JTQLQIEISA-N 0 0 314.410 3.723 50 0 DHAARN COc1ccc(CSc2n[nH]c(-c3cccs3)n2)cc1F ZINC000008493168 563625322 /nfs/dbraw/zinc/62/53/22/563625322.db2.gz MBMIXVVMRKDXRV-UHFFFAOYSA-N 0 0 321.402 3.973 50 0 DHAARN CN(Cc1cccc(OCc2ccccc2)c1)Cc1cnccn1 ZINC000080966942 563625401 /nfs/dbraw/zinc/62/54/01/563625401.db2.gz BHZVAZASXJIINJ-UHFFFAOYSA-N 0 0 319.408 3.688 50 0 DHAARN CCN1c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2CCC1=O ZINC000017289098 563626931 /nfs/dbraw/zinc/62/69/31/563626931.db2.gz ZLFHYPDWBSSJLU-UHFFFAOYSA-N 0 0 322.408 3.855 50 0 DHAARN Cc1ccn2cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)nc2c1 ZINC000017369324 563627285 /nfs/dbraw/zinc/62/72/85/563627285.db2.gz FFWLYDRAZLHTDU-ZDUSSCGKSA-N 0 0 319.364 3.880 50 0 DHAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(Cl)c2)c1 ZINC000017370435 563627298 /nfs/dbraw/zinc/62/72/98/563627298.db2.gz SJGQKDFYKHHMDN-NSHDSACASA-N 0 0 319.788 3.848 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 ZINC000000258999 563629393 /nfs/dbraw/zinc/62/93/93/563629393.db2.gz NKGLCEYUDMPVSJ-UHFFFAOYSA-N 0 0 313.353 3.514 50 0 DHAARN COC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000000450880 563630307 /nfs/dbraw/zinc/63/03/07/563630307.db2.gz OXBOATHGRASUAE-UHFFFAOYSA-N 0 0 309.321 3.780 50 0 DHAARN Cc1nc2cc(NC(=O)N3c4ccccc4C[C@@H]3C)ccc2n1C ZINC000000470907 563630800 /nfs/dbraw/zinc/63/08/00/563630800.db2.gz ODRIGTGKRVZVTD-LBPRGKRZSA-N 0 0 320.396 3.865 50 0 DHAARN COc1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000000572743 563631325 /nfs/dbraw/zinc/63/13/25/563631325.db2.gz QKCWWARXJOJFKM-UHFFFAOYSA-N 0 0 313.378 3.649 50 0 DHAARN CCc1cnc(CN(C)C(=O)[C@H]2CCCc3ccccc32)s1 ZINC000081081438 563633893 /nfs/dbraw/zinc/63/38/93/563633893.db2.gz YRJAOKQUBGLZRG-INIZCTEOSA-N 0 0 314.454 3.784 50 0 DHAARN CCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000002065127 563634457 /nfs/dbraw/zinc/63/44/57/563634457.db2.gz AUXPRWFZQBTYSJ-UHFFFAOYSA-N 0 0 313.353 3.514 50 0 DHAARN Cc1ccc(C)c(C(=O)/N=c2\sc3cccc(C)c3n2C)c1 ZINC000100884841 563646020 /nfs/dbraw/zinc/64/60/20/563646020.db2.gz VIZGQUXUUYXTKN-HNENSFHCSA-N 0 0 310.422 3.906 50 0 DHAARN CC(C)C(=O)/N=c1\sc2cc(Cl)cc(Cl)c2n1C ZINC000100908950 563646364 /nfs/dbraw/zinc/64/63/64/563646364.db2.gz FSUVAFTXRKKISE-QINSGFPZSA-N 0 0 303.214 3.630 50 0 DHAARN O=C(COC(=O)c1cccc(O)c1)c1ccc2ccccc2c1 ZINC000010529560 563649232 /nfs/dbraw/zinc/64/92/32/563649232.db2.gz CUAOHHFSSIGXAO-UHFFFAOYSA-N 0 0 306.317 3.585 50 0 DHAARN O=C(c1cc2ccccc2cc1O)N1CCc2ccccc2C1 ZINC000012792448 563654090 /nfs/dbraw/zinc/65/40/90/563654090.db2.gz DRYSTFCDOUIZAB-UHFFFAOYSA-N 0 0 303.361 3.744 50 0 DHAARN Cc1ccc(NC(=O)CN[C@H](C)c2ccccc2Cl)cc1 ZINC000013040163 563654873 /nfs/dbraw/zinc/65/48/73/563654873.db2.gz GRRUGEWMLQESET-CYBMUJFWSA-N 0 0 302.805 3.938 50 0 DHAARN CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(C)c(C)c1 ZINC000101348322 563655351 /nfs/dbraw/zinc/65/53/51/563655351.db2.gz IJXFQCYNUDFFPF-KRWDZBQOSA-N 0 0 306.365 3.525 50 0 DHAARN CCCCn1cnc2c(c(C)c(C)n2-c2ccc(OC)cc2)c1=N ZINC000101409875 563655726 /nfs/dbraw/zinc/65/57/26/563655726.db2.gz QLTLDCVDNQYGHX-UHFFFAOYSA-N 0 0 324.428 3.732 50 0 DHAARN Cc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=Nc2ncnn21 ZINC000102047675 563658137 /nfs/dbraw/zinc/65/81/37/563658137.db2.gz BCLWXBYVNAFTCL-KRWDZBQOSA-N 0 0 306.344 3.782 50 0 DHAARN CN(C)c1ccc([C@@H]2OCC[C@]3(CCOC(C)(C)C3)O2)cc1 ZINC000000517744 563661434 /nfs/dbraw/zinc/66/14/34/563661434.db2.gz RNXCDKJGMRCTGF-SJLPKXTDSA-N 0 0 305.418 3.516 50 0 biogenic DHAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2[C@H]2CC=CCC2)C1 ZINC000102749708 563661958 /nfs/dbraw/zinc/66/19/58/563661958.db2.gz MWHXXHXFNHBNND-IINYFYTJSA-N 0 0 314.389 3.925 50 0 DHAARN c1coc(CNc2nc(-c3ccccn3)nc3ccccc32)c1 ZINC000000521890 563664549 /nfs/dbraw/zinc/66/45/49/563664549.db2.gz RCHIKZLXCMNBGJ-UHFFFAOYSA-N 0 0 302.337 3.897 50 0 DHAARN O=c1oc2ccc(Cl)cc2cc1-c1ccc2c(c1)OCCO2 ZINC000000526752 563664859 /nfs/dbraw/zinc/66/48/59/563664859.db2.gz JIDQDGMCFIISKN-UHFFFAOYSA-N 0 0 314.724 3.885 50 0 biogenic DHAARN COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000014185022 563665752 /nfs/dbraw/zinc/66/57/52/563665752.db2.gz HHJUBNUHAPFOAW-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN CCOc1ccc2[nH]c3c(ncnc3N3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC000000536689 563667445 /nfs/dbraw/zinc/66/74/45/563667445.db2.gz XWAYJNMEZYADDT-CHWSQXEVSA-N 0 0 324.428 3.992 50 0 DHAARN CCC[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1 ZINC000000549316 563669902 /nfs/dbraw/zinc/66/99/02/563669902.db2.gz UIZUORHLXDRESL-INIZCTEOSA-N 0 0 311.360 3.973 50 0 DHAARN Cc1ccc(OCC(=O)Nc2cccc3cccnc32)cc1C ZINC000000556622 563670245 /nfs/dbraw/zinc/67/02/45/563670245.db2.gz RDGDMEAJPIFWAH-UHFFFAOYSA-N 0 0 306.365 3.869 50 0 DHAARN COc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000000566371 563671444 /nfs/dbraw/zinc/67/14/44/563671444.db2.gz AXOCUPLIPMCXPA-AWEZNQCLSA-N 0 0 315.438 3.633 50 0 DHAARN Cc1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000000570211 563671904 /nfs/dbraw/zinc/67/19/04/563671904.db2.gz WGSVNQQLGWQNNQ-UHFFFAOYSA-N 0 0 310.378 3.868 50 0 DHAARN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc2c(c1)CCCC2 ZINC000015092293 563673527 /nfs/dbraw/zinc/67/35/27/563673527.db2.gz XFNFCMGMPXRAKQ-CYBMUJFWSA-N 0 0 319.408 3.933 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl ZINC000000577966 563674898 /nfs/dbraw/zinc/67/48/98/563674898.db2.gz WITAIBCVFJEGSW-UHFFFAOYSA-N 0 0 310.136 3.974 50 0 DHAARN Cc1oc(-c2cccs2)nc1C(=O)NC(C1CC1)C1CC1 ZINC000046785414 563677489 /nfs/dbraw/zinc/67/74/89/563677489.db2.gz GJGNYQQYHMGGGU-UHFFFAOYSA-N 0 0 302.399 3.630 50 0 DHAARN C[C@@H](NC(=O)N(C)Cc1csc2ccccc12)[C@H]1CCCO1 ZINC000046972509 563677942 /nfs/dbraw/zinc/67/79/42/563677942.db2.gz XIRMQQDNZPPQPG-IUODEOHRSA-N 0 0 318.442 3.610 50 0 DHAARN O=C(CCc1ccccc1O)N1CCC[C@@H]1c1ccsc1 ZINC000047166058 563679033 /nfs/dbraw/zinc/67/90/33/563679033.db2.gz DFGBMTKLGPACGC-OAHLLOKOSA-N 0 0 301.411 3.750 50 0 DHAARN O=C(CCc1ccccc1F)Nc1ccc(Cn2cccn2)cc1 ZINC000047176934 563678989 /nfs/dbraw/zinc/67/89/89/563678989.db2.gz ZMFFHZGEIGZUEL-UHFFFAOYSA-N 0 0 323.371 3.642 50 0 DHAARN COc1ccc(C(=O)Nc2ncccc2O)cc1-c1ccccc1 ZINC000051341048 563679737 /nfs/dbraw/zinc/67/97/37/563679737.db2.gz CWTSWWIAGPEPST-UHFFFAOYSA-N 0 0 320.348 3.715 50 0 DHAARN CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1 ZINC000012111301 563681105 /nfs/dbraw/zinc/68/11/05/563681105.db2.gz KEIBCQSPUFHGBX-UHFFFAOYSA-N 0 0 323.352 3.776 50 0 DHAARN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)N1CCCC1 ZINC000047515250 563681115 /nfs/dbraw/zinc/68/11/15/563681115.db2.gz QOKPPVJDQKVEGD-CQSZACIVSA-N 0 0 313.401 3.609 50 0 DHAARN O=C(c1cccc(Br)c1)N1CCc2sccc2C1 ZINC000012215539 563681801 /nfs/dbraw/zinc/68/18/01/563681801.db2.gz PVTGVGVEQUCLKK-UHFFFAOYSA-N 0 0 322.227 3.709 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)[nH]n2)cc1 ZINC000044839146 563684730 /nfs/dbraw/zinc/68/47/30/563684730.db2.gz BBXCMHMZISTYLL-QGZVFWFLSA-N 0 0 317.392 3.802 50 0 DHAARN Cc1[nH]nc2c1[C@@H](c1ccc3ncccc3c1)SCC(=O)N2 ZINC000044901330 563686150 /nfs/dbraw/zinc/68/61/50/563686150.db2.gz FMICLSOXJUYDJY-OAHLLOKOSA-N 0 0 310.382 3.691 50 0 DHAARN CCOc1ccc([C@H]2CCCN2C(=O)Nc2cccnc2)cc1 ZINC000044889525 563686173 /nfs/dbraw/zinc/68/61/73/563686173.db2.gz AZGRSDYAHPSYPK-QGZVFWFLSA-N 0 0 311.385 3.849 50 0 DHAARN CS[C@@H]1CCC[C@@H](N[C@H](Cc2ccncc2)C(F)(F)F)C1 ZINC000108115495 563687070 /nfs/dbraw/zinc/68/70/70/563687070.db2.gz LRSNBORFYNYHHL-MGPQQGTHSA-N 0 0 318.408 3.819 50 0 DHAARN Nc1nc(CN2CCC[C@@H]2c2ccsc2)nc2ccccc12 ZINC000044977640 563687538 /nfs/dbraw/zinc/68/75/38/563687538.db2.gz HOZXBWDZEZGYTI-OAHLLOKOSA-N 0 0 310.426 3.611 50 0 DHAARN Cc1ccccc1-n1ncc(C(=O)NCc2ccoc2)c1C1CC1 ZINC000045835994 563689957 /nfs/dbraw/zinc/68/99/57/563689957.db2.gz BUTKVBMHHRYFGB-UHFFFAOYSA-N 0 0 321.380 3.581 50 0 DHAARN CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1cccc2c[nH]nc21 ZINC000047993948 563692460 /nfs/dbraw/zinc/69/24/60/563692460.db2.gz DLDKFHPBZOCEPU-UHFFFAOYSA-N 0 0 323.400 3.644 50 0 DHAARN CCOC(=O)Nc1ccc(NC(=O)NC2CCC(C)CC2)cc1 ZINC000047947818 563692677 /nfs/dbraw/zinc/69/26/77/563692677.db2.gz MCIURDIXJZISNJ-UHFFFAOYSA-N 0 0 319.405 3.955 50 0 DHAARN CCCOC(=O)c1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 ZINC000048020405 563692740 /nfs/dbraw/zinc/69/27/40/563692740.db2.gz HNYYUHRAROFXIY-ZDUSSCGKSA-N 0 0 304.390 3.517 50 0 DHAARN C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1cccs1 ZINC000048150000 563693182 /nfs/dbraw/zinc/69/31/82/563693182.db2.gz VSEBISMHKSORFF-LBPRGKRZSA-N 0 0 312.398 3.817 50 0 DHAARN C[C@H](NC(=O)Nc1ccc(N2CCCC2)nc1)c1cccs1 ZINC000048085000 563693257 /nfs/dbraw/zinc/69/32/57/563693257.db2.gz QLQSTWAYPJWSSP-LBPRGKRZSA-N 0 0 316.430 3.626 50 0 DHAARN CC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC000048219220 563693277 /nfs/dbraw/zinc/69/32/77/563693277.db2.gz LOVQQQIHTWBPLK-NSHDSACASA-N 0 0 303.337 3.933 50 0 DHAARN C[C@@H](NC(=O)Nc1ccc(N2CCCC2)nc1)c1cccs1 ZINC000048085002 563693327 /nfs/dbraw/zinc/69/33/27/563693327.db2.gz QLQSTWAYPJWSSP-GFCCVEGCSA-N 0 0 316.430 3.626 50 0 DHAARN O=C(Cc1noc2ccccc12)Nc1cccc(-c2cnco2)c1 ZINC000048205318 563693593 /nfs/dbraw/zinc/69/35/93/563693593.db2.gz YRHGKJWZKCCREM-UHFFFAOYSA-N 0 0 319.320 3.664 50 0 DHAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(F)c(F)c1 ZINC000048264383 563694062 /nfs/dbraw/zinc/69/40/62/563694062.db2.gz PXVUXNAPXPDQJA-IAQYHMDHSA-N 0 0 312.360 3.682 50 0 DHAARN CN(CC(=O)NCCc1cccc2ccccc21)c1ccccc1 ZINC000048313595 563696517 /nfs/dbraw/zinc/69/65/17/563696517.db2.gz QVTRAXMUDQNYDK-UHFFFAOYSA-N 0 0 318.420 3.635 50 0 DHAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccco1 ZINC000048368638 563698311 /nfs/dbraw/zinc/69/83/11/563698311.db2.gz IMVCGCCJDYTOMN-LBPRGKRZSA-N 0 0 310.353 3.663 50 0 DHAARN Cc1cc(C)nc(NC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000000611902 563699240 /nfs/dbraw/zinc/69/92/40/563699240.db2.gz OIYKOQKREQTZJM-UHFFFAOYSA-N 0 0 310.279 3.756 50 0 DHAARN O=C(CSc1ccc(O)cc1)NCc1ccc(Cl)s1 ZINC000048601565 563699287 /nfs/dbraw/zinc/69/92/87/563699287.db2.gz PVYAFEIWLLXSRO-UHFFFAOYSA-N 0 0 313.831 3.516 50 0 DHAARN Cc1nc(NC(=O)COc2cccc3ccccc32)sc1C ZINC000000613914 563699354 /nfs/dbraw/zinc/69/93/54/563699354.db2.gz FYIQIWLWNSGMAZ-UHFFFAOYSA-N 0 0 312.394 3.931 50 0 DHAARN NC(=O)c1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000048782617 563699692 /nfs/dbraw/zinc/69/96/92/563699692.db2.gz CTQCOZYFYMACGE-OAHLLOKOSA-N 0 0 322.330 3.569 50 0 DHAARN CC(C)CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217292 563700925 /nfs/dbraw/zinc/70/09/25/563700925.db2.gz WYOWEKDJKYGDOP-MRXNPFEDSA-N 0 0 311.429 3.829 50 0 DHAARN CCCCOc1ccc(CCNC(=O)c2occc2C)cc1 ZINC000049269184 563701178 /nfs/dbraw/zinc/70/11/78/563701178.db2.gz GJJKRSXPGUAEQF-UHFFFAOYSA-N 0 0 301.386 3.739 50 0 DHAARN CC(C)Oc1ccc([C@H]2SCC(=O)Nc3c2cnn3C)cc1 ZINC000049544397 563701682 /nfs/dbraw/zinc/70/16/82/563701682.db2.gz NBYDVYIXEQKNBJ-OAHLLOKOSA-N 0 0 317.414 3.632 50 0 DHAARN COc1ccccc1CC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000049765748 563702519 /nfs/dbraw/zinc/70/25/19/563702519.db2.gz CESFZNSLSSIUQM-GOSISDBHSA-N 0 0 324.424 3.777 50 0 DHAARN CNc1nc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cs1 ZINC000049664290 563702611 /nfs/dbraw/zinc/70/26/11/563702611.db2.gz RMOZCYLONJZXAN-UHFFFAOYSA-N 0 0 303.431 3.664 50 0 DHAARN COCCN(CC1CC1)C(=O)c1cccc2c(Cl)cccc12 ZINC000215388148 563705118 /nfs/dbraw/zinc/70/51/18/563705118.db2.gz WKALIYGYLNGWEF-UHFFFAOYSA-N 0 0 317.816 3.992 50 0 DHAARN CC(C)c1nc(CN2CCC([C@H](O)c3cccs3)CC2)co1 ZINC000215750226 563706837 /nfs/dbraw/zinc/70/68/37/563706837.db2.gz AOOMNCLKMVYATK-INIZCTEOSA-N 0 0 320.458 3.805 50 0 DHAARN O=C(NCc1ccccc1C(F)(F)F)c1cccn1C1CC1 ZINC000215738422 563706924 /nfs/dbraw/zinc/70/69/24/563706924.db2.gz PPAJBJYRJPNANT-UHFFFAOYSA-N 0 0 308.303 3.772 50 0 DHAARN CCCN(C(=O)c1oc(CC)nc1C)C1Cc2ccccc2C1 ZINC000216244937 563708086 /nfs/dbraw/zinc/70/80/86/563708086.db2.gz WEWLOQCYWFXKIX-UHFFFAOYSA-N 0 0 312.413 3.565 50 0 DHAARN COc1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1OC ZINC000216176922 563708461 /nfs/dbraw/zinc/70/84/61/563708461.db2.gz AXTKKMYBGFCWRZ-UHFFFAOYSA-N 0 0 310.328 3.967 50 0 DHAARN Cc1nnc(CN(C)C(=O)c2cccc(-c3cccc(C)c3)c2)o1 ZINC000216296611 563709260 /nfs/dbraw/zinc/70/92/60/563709260.db2.gz PRJVWWONFSINBM-UHFFFAOYSA-N 0 0 321.380 3.626 50 0 DHAARN CC(C)C(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000000325206 563709335 /nfs/dbraw/zinc/70/93/35/563709335.db2.gz XCJWJJMMJRICBK-CYBMUJFWSA-N 0 0 319.792 3.710 50 0 DHAARN c1cnn(Cc2cccc(CN(Cc3nccs3)C3CC3)c2)c1 ZINC000216527121 563710546 /nfs/dbraw/zinc/71/05/46/563710546.db2.gz BOBAZWOUAJJHBD-UHFFFAOYSA-N 0 0 324.453 3.553 50 0 DHAARN Cc1ccc(-c2cc(NC(N)=S)n(-c3ccccc3)n2)cc1 ZINC000215854393 563711300 /nfs/dbraw/zinc/71/13/00/563711300.db2.gz OEXFTYFUOIKHTL-UHFFFAOYSA-N 0 0 308.410 3.503 50 0 DHAARN Cc1nc2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc2o1 ZINC000008109957 563719125 /nfs/dbraw/zinc/71/91/25/563719125.db2.gz RKPARANVUWMACV-UHFFFAOYSA-N 0 0 316.382 3.554 50 0 DHAARN COc1ccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000008237745 563720026 /nfs/dbraw/zinc/72/00/26/563720026.db2.gz YZCLNQQHXPTQPV-CYBMUJFWSA-N 0 0 309.365 3.861 50 0 DHAARN COc1cc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)ccc1O ZINC000000818119 563721006 /nfs/dbraw/zinc/72/10/06/563721006.db2.gz UULFMCFEJJAVBH-LJQANCHMSA-N 0 0 321.380 3.854 50 0 DHAARN CC[C@H](NC(=O)CCCOc1ccccc1)c1cc(C)ccn1 ZINC000220023889 563722481 /nfs/dbraw/zinc/72/24/81/563722481.db2.gz FWCGXUMCMWAXGU-KRWDZBQOSA-N 0 0 312.413 3.817 50 0 DHAARN CC(C)(C)c1noc(CCCC(=O)Nc2ccc(F)cc2F)n1 ZINC000033147282 563724227 /nfs/dbraw/zinc/72/42/27/563724227.db2.gz JNWMBFOOJLKKSX-UHFFFAOYSA-N 0 0 323.343 3.607 50 0 DHAARN CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c1C ZINC000223326546 563733591 /nfs/dbraw/zinc/73/35/91/563733591.db2.gz HLJNWXFHKGFIOA-OAHLLOKOSA-N 0 0 314.360 3.560 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000027862802 563740667 /nfs/dbraw/zinc/74/06/67/563740667.db2.gz GMKMABCDDIEAFN-HIFRSBDPSA-N 0 0 324.346 3.948 50 0 DHAARN CCOc1ccc(NC[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028292811 563750545 /nfs/dbraw/zinc/75/05/45/563750545.db2.gz ARNVJAOOCBMPES-HNNXBMFYSA-N 0 0 321.804 3.591 50 0 DHAARN Cc1cc(C(=O)Nc2cc(C[C@@H](C)C(C)(C)C)[nH]n2)ns1 ZINC000225536270 563757915 /nfs/dbraw/zinc/75/79/15/563757915.db2.gz YSNXFFIRFBOLRP-SECBINFHSA-N 0 0 306.435 3.652 50 0 DHAARN O=C(Nc1cc(-n2cccc2)ccc1F)c1cc(Cl)ccn1 ZINC000225536285 563757945 /nfs/dbraw/zinc/75/79/45/563757945.db2.gz CMGHTTBDUUJBJP-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)co1 ZINC000029955076 563762484 /nfs/dbraw/zinc/76/24/84/563762484.db2.gz XVIBWIWKISLFRT-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN Cc1nnc(CN[C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC000095985434 563768225 /nfs/dbraw/zinc/76/82/25/563768225.db2.gz PSUDKKLZPRQREF-QMMMGPOBSA-N 0 0 301.337 3.716 50 0 DHAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@]2(CO)CC(C)C)c1 ZINC000239869351 563776780 /nfs/dbraw/zinc/77/67/80/563776780.db2.gz CYQHRBGWNDQAKR-SFHVURJKSA-N 0 0 304.434 3.708 50 0 DHAARN CSc1cccc(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c1C ZINC000241383519 563777297 /nfs/dbraw/zinc/77/72/97/563777297.db2.gz MVXRVLYZSHQFSH-UONOGXRCSA-N 0 0 320.458 3.607 50 0 DHAARN CCN(C(=O)Cc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000241439954 563777433 /nfs/dbraw/zinc/77/74/33/563777433.db2.gz NNVBFSKJIINEGW-UHFFFAOYSA-N 0 0 308.303 3.696 50 0 DHAARN Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CCCc2occc21 ZINC000241383432 563777573 /nfs/dbraw/zinc/77/75/73/563777573.db2.gz MVIHQGNFKVUWSX-ZDUSSCGKSA-N 0 0 302.374 3.582 50 0 DHAARN CCc1nnc(CN[C@H]2CC(C)(C)CCc3ccccc32)n1C ZINC000242389673 563778496 /nfs/dbraw/zinc/77/84/96/563778496.db2.gz ZZLXOCLANUWHDB-INIZCTEOSA-N 0 0 312.461 3.571 50 0 DHAARN Cc1nc(CN(C)Cc2cncn2C2CCCCC2)cs1 ZINC000244678843 563779296 /nfs/dbraw/zinc/77/92/96/563779296.db2.gz ILEMIFSTNAYUNY-UHFFFAOYSA-N 0 0 304.463 3.785 50 0 DHAARN Cc1cc(N[C@H](C)c2nccn2C)cc(C)c1Br ZINC000190327374 563781425 /nfs/dbraw/zinc/78/14/25/563781425.db2.gz DUACYQKKRMVPNN-LLVKDONJSA-N 0 0 308.223 3.973 50 0 DHAARN Cc1noc([C@@H](C)N2CCC(Oc3c(C)cccc3C)CC2)n1 ZINC000051991635 563783357 /nfs/dbraw/zinc/78/33/57/563783357.db2.gz YRIYRRQGXDZNOA-CQSZACIVSA-N 0 0 315.417 3.599 50 0 DHAARN O=C1C[C@H](Cc2ccc3cc[nH]c(=O)c3c2)CN1c1ccccc1 ZINC000253536140 563784483 /nfs/dbraw/zinc/78/44/83/563784483.db2.gz JHFFHMJHNUUBRF-HNNXBMFYSA-N 0 0 318.376 3.536 50 0 DHAARN Cc1ccc(COc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 ZINC000000979480 563785930 /nfs/dbraw/zinc/78/59/30/563785930.db2.gz URALVWGELKARGW-YBEGLDIGSA-N 0 0 324.405 3.713 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccs1 ZINC000001053773 563787654 /nfs/dbraw/zinc/78/76/54/563787654.db2.gz AHJGLMKZROXYJL-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN CCC(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000001065864 563788393 /nfs/dbraw/zinc/78/83/93/563788393.db2.gz ICSMRKAGSBPFOC-HNNXBMFYSA-N 0 0 322.408 3.613 50 0 DHAARN Cc1cccc(O)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000183040056 563793982 /nfs/dbraw/zinc/79/39/82/563793982.db2.gz LUORGMNXITWJID-NWDGAFQWSA-N 0 0 303.308 3.721 50 0 DHAARN Cc1cccc(O)c1NC(=O)Cc1cccc(Br)c1 ZINC000183040277 563794061 /nfs/dbraw/zinc/79/40/61/563794061.db2.gz QHSARNSXMDEZGY-UHFFFAOYSA-N 0 0 320.186 3.644 50 0 DHAARN Fc1cc(Br)c(Br)c(OC(F)F)c1 ZINC000263624147 563794525 /nfs/dbraw/zinc/79/45/25/563794525.db2.gz NVDDPFPEBZENSE-UHFFFAOYSA-N 0 0 319.902 3.952 50 0 DHAARN Cn1c2ccc(F)cc2c2c1CCN(C(=O)Nc1ccccc1)C2 ZINC000034928513 563795556 /nfs/dbraw/zinc/79/55/56/563795556.db2.gz JPJWQALRYBLBSZ-UHFFFAOYSA-N 0 0 323.371 3.908 50 0 DHAARN Cc1ccc(NC(=O)CCCc2nc3ccccc3s2)nc1 ZINC000012526895 563797555 /nfs/dbraw/zinc/79/75/55/563797555.db2.gz UZNZUXVEIPWXOM-UHFFFAOYSA-N 0 0 311.410 3.961 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000012532843 563798132 /nfs/dbraw/zinc/79/81/32/563798132.db2.gz YDPAOQVERNNJFK-UHFFFAOYSA-N 0 0 304.349 3.932 50 0 DHAARN COc1cccc(C(=O)Nc2nc3c(cccc3OC)s2)c1 ZINC000003216942 563799057 /nfs/dbraw/zinc/79/90/57/563799057.db2.gz BSRIDPMUYJMZBA-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000012556435 563801096 /nfs/dbraw/zinc/80/10/96/563801096.db2.gz FQTYLPGGBQJZJK-UHFFFAOYSA-N 0 0 317.392 3.632 50 0 biogenic DHAARN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000003365425 563801708 /nfs/dbraw/zinc/80/17/08/563801708.db2.gz OQHBYHIPBIHGMM-UHFFFAOYSA-N 0 0 317.744 3.727 50 0 DHAARN COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1 ZINC000012564476 563801828 /nfs/dbraw/zinc/80/18/28/563801828.db2.gz CGVNJQHJUYVFKX-ZDUSSCGKSA-N 0 0 310.397 3.623 50 0 DHAARN COc1cccc([C@@H]2CCCCN2Cc2nnc(C)s2)c1 ZINC000299761774 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563945191 /nfs/dbraw/zinc/94/51/91/563945191.db2.gz CMRJPMODSSEAPL-YRPNKDGESA-N 0 0 312.409 3.900 50 0 biogenic DHAARN Nc1nc2c(s1)[C@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000032091763 563945369 /nfs/dbraw/zinc/94/53/69/563945369.db2.gz BTZSFOYQUMDZBQ-QMMMGPOBSA-N 0 0 324.203 3.611 50 0 DHAARN Cc1ccc(C2(c3ccc(C)cc3)c3cccnc3NC2=O)cc1 ZINC000032221274 563945523 /nfs/dbraw/zinc/94/55/23/563945523.db2.gz HMDLTYJWVQKYJJ-UHFFFAOYSA-N 0 0 314.388 3.985 50 0 DHAARN CCc1nc2c(C)nn(C)c2c(Nc2cccc3ncccc32)n1 ZINC000032501961 563945767 /nfs/dbraw/zinc/94/57/67/563945767.db2.gz HAJXNYQKQWQAEX-UHFFFAOYSA-N 0 0 318.384 3.526 50 0 DHAARN O=C(CCc1ccsc1)NCCCn1ccc2ccccc21 ZINC000007988019 563945967 /nfs/dbraw/zinc/94/59/67/563945967.db2.gz AKCLVFOOKCIUBQ-UHFFFAOYSA-N 0 0 312.438 3.842 50 0 DHAARN Cc1ccc(CN(C)C(=O)c2c3c(nc4ccccc42)CCC3)o1 ZINC000007990563 563946075 /nfs/dbraw/zinc/94/60/75/563946075.db2.gz BDYMMHHNTHXHEV-UHFFFAOYSA-N 0 0 320.392 3.897 50 0 DHAARN O=C(NCC[C@@H](c1ccco1)c1ccc(F)cc1)c1cc[nH]c1 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ZINC000008259549 563947331 /nfs/dbraw/zinc/94/73/31/563947331.db2.gz BXFIGXDYRYEIRP-UHFFFAOYSA-N 0 0 315.344 3.546 50 0 DHAARN CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000008235654 563947442 /nfs/dbraw/zinc/94/74/42/563947442.db2.gz SSOBCAHBKSBCSL-UHFFFAOYSA-N 0 0 311.410 3.739 50 0 DHAARN COc1ccccc1NC(=O)[C@H](C)N(C)Cc1sccc1C ZINC000008310033 563947700 /nfs/dbraw/zinc/94/77/00/563947700.db2.gz BVEBFTYIFMEELY-ZDUSSCGKSA-N 0 0 318.442 3.524 50 0 DHAARN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000263572025 563947811 /nfs/dbraw/zinc/94/78/11/563947811.db2.gz KHLAQYRWFHXUBY-LJQANCHMSA-N 0 0 309.409 3.900 50 0 DHAARN Cc1sc2nc(CN3CCCC3)nc(N3CCCC3)c2c1C ZINC000008315253 563947901 /nfs/dbraw/zinc/94/79/01/563947901.db2.gz GJZSUOQBWNQJBT-UHFFFAOYSA-N 0 0 316.474 3.504 50 0 DHAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1F ZINC000008320590 563947906 /nfs/dbraw/zinc/94/79/06/563947906.db2.gz MDLZHCPIIXAKFF-AWEZNQCLSA-N 0 0 304.390 3.663 50 0 DHAARN Cc1noc(C)c1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000008347193 563947997 /nfs/dbraw/zinc/94/79/97/563947997.db2.gz PFTAXNUGIOOQQY-JTQLQIEISA-N 0 0 315.398 3.734 50 0 DHAARN COc1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1F ZINC000008344747 563948073 /nfs/dbraw/zinc/94/80/73/563948073.db2.gz TUSLWMDMILRMJB-UHFFFAOYSA-N 0 0 305.334 3.505 50 0 DHAARN O=C(c1ccc(-n2cccn2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008340793 563948082 /nfs/dbraw/zinc/94/80/82/563948082.db2.gz COWOELBGZXKGSO-NVXWUHKLSA-N 0 0 309.413 3.525 50 0 DHAARN CC1=C(c2ccc(NC(=O)C(C)C)cc2)N2CCCN=C2S1 ZINC000008389460 563948283 /nfs/dbraw/zinc/94/82/83/563948283.db2.gz JJCSLMSOQSFDFQ-UHFFFAOYSA-N 0 0 315.442 3.778 50 0 DHAARN Cc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000008395042 563948431 /nfs/dbraw/zinc/94/84/31/563948431.db2.gz QAIIIDSVPYLTST-UHFFFAOYSA-N 0 0 314.819 3.563 50 0 DHAARN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067052784 563948452 /nfs/dbraw/zinc/94/84/52/563948452.db2.gz REIQLSUTOZDVPO-QZTJIDSGSA-N 0 0 321.355 3.754 50 0 DHAARN O=C(CCc1cccs1)NCCCn1ccc2ccccc21 ZINC000008395088 563948470 /nfs/dbraw/zinc/94/84/70/563948470.db2.gz FDDUEGXCDDZXKD-UHFFFAOYSA-N 0 0 312.438 3.842 50 0 DHAARN CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000067056729 563948502 /nfs/dbraw/zinc/94/85/02/563948502.db2.gz WAZQEWCLKXTHHK-VXGBXAGGSA-N 0 0 318.760 3.634 50 0 DHAARN Cc1ccc(N2CCN(CC(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000067206490 563948656 /nfs/dbraw/zinc/94/86/56/563948656.db2.gz OSWIQKQTTTZIEO-UHFFFAOYSA-N 0 0 322.452 3.617 50 0 DHAARN O=C1COc2ccc(Cl)cc2CN1Cc1cccc(Cl)c1 ZINC000067323777 563949019 /nfs/dbraw/zinc/94/90/19/563949019.db2.gz MJFRXZWPOWXDBO-UHFFFAOYSA-N 0 0 322.191 3.915 50 0 DHAARN CCOc1ccc(C(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000008602045 563949409 /nfs/dbraw/zinc/94/94/09/563949409.db2.gz OITGZJQORTXAQO-UHFFFAOYSA-N 0 0 310.397 3.500 50 0 DHAARN Cc1ccc(CN(C)C(=O)NCCc2ccc(Cl)cc2)o1 ZINC000008704049 563949851 /nfs/dbraw/zinc/94/98/51/563949851.db2.gz XXXNGEGMOHLTKN-UHFFFAOYSA-N 0 0 306.793 3.626 50 0 DHAARN O=C1c2ccccc2N[C@@H](C2=Cc3ccccc3OC2)N1C1CC1 ZINC000008710775 563949907 /nfs/dbraw/zinc/94/99/07/563949907.db2.gz GWEHBRSQHDZXBZ-LJQANCHMSA-N 0 0 318.376 3.519 50 0 DHAARN C[C@@H](NC(=O)CSc1ncccc1Cl)c1cccs1 ZINC000008706042 563950031 /nfs/dbraw/zinc/95/00/31/563950031.db2.gz SWELBYFYRNTAKS-SECBINFHSA-N 0 0 312.847 3.766 50 0 DHAARN c1csc(-c2nc(SCCOc3ccccc3)n[nH]2)c1 ZINC000008735003 563950436 /nfs/dbraw/zinc/95/04/36/563950436.db2.gz BQZRQIFXNYEHJF-UHFFFAOYSA-N 0 0 303.412 3.704 50 0 DHAARN CCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 ZINC000008772310 563950755 /nfs/dbraw/zinc/95/07/55/563950755.db2.gz HQGGRNXGGKLDCV-UHFFFAOYSA-N 0 0 314.410 3.911 50 0 DHAARN CCSc1ccc(C(=O)Nc2c(C)nn(C(C)C)c2C)cn1 ZINC000068756574 563951346 /nfs/dbraw/zinc/95/13/46/563951346.db2.gz QJQIGXRCRRBTDM-UHFFFAOYSA-N 0 0 318.446 3.840 50 0 DHAARN Cc1oc(-c2ccco2)nc1Cn1nccc1-c1ccncc1 ZINC000068777400 563951408 /nfs/dbraw/zinc/95/14/08/563951408.db2.gz NNIJBJPNIBJUFJ-UHFFFAOYSA-N 0 0 306.325 3.550 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c1 ZINC000008959911 563951653 /nfs/dbraw/zinc/95/16/53/563951653.db2.gz UVVQCRIZDZUPGE-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN CCOC(=O)Cc1c(=O)[nH]c2ccc(C)cc2c1-c1ccccc1 ZINC000009066022 563952187 /nfs/dbraw/zinc/95/21/87/563952187.db2.gz YRUVXMLLMVJSNV-UHFFFAOYSA-N 0 0 321.376 3.609 50 0 DHAARN CCN(C(=O)c1cnc2snc(C)c2c1)c1cccc(F)c1 ZINC000069351712 563952291 /nfs/dbraw/zinc/95/22/91/563952291.db2.gz CUGRUXVXMKATDI-UHFFFAOYSA-N 0 0 315.373 3.806 50 0 DHAARN CCCc1noc([C@@H](C)N(C)Cc2nc3ccccc3s2)n1 ZINC000069348691 563952349 /nfs/dbraw/zinc/95/23/49/563952349.db2.gz SSNGJIZYCSZBAZ-LLVKDONJSA-N 0 0 316.430 3.825 50 0 DHAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)CC[C@H]1CCCO1 ZINC000245287262 563952543 /nfs/dbraw/zinc/95/25/43/563952543.db2.gz BSGJPJTYAPLNQM-DJIMGWMZSA-N 0 0 319.449 3.522 50 0 DHAARN Cc1ccc(NC(=O)NCCCn2cnc3ccccc32)cc1 ZINC000009117895 563952601 /nfs/dbraw/zinc/95/26/01/563952601.db2.gz WURVKVNEKHTPDZ-UHFFFAOYSA-N 0 0 308.385 3.557 50 0 DHAARN Cc1cccc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000069442722 563952759 /nfs/dbraw/zinc/95/27/59/563952759.db2.gz OQQBAQWXNXHTSB-OAHLLOKOSA-N 0 0 317.454 3.592 50 0 DHAARN COc1c(CNCc2ccc([C@@H]3C[C@H]3C)o2)c(C(C)C)nn1C ZINC000069418563 563952791 /nfs/dbraw/zinc/95/27/91/563952791.db2.gz TYFIMEVQDVXJFN-TZMCWYRMSA-N 0 0 317.433 3.558 50 0 DHAARN CN(CCOc1cccc(Cl)c1)Cc1nnc(C(C)(C)C)o1 ZINC000069440513 563952824 /nfs/dbraw/zinc/95/28/24/563952824.db2.gz KPGHXQMARJSGPP-UHFFFAOYSA-N 0 0 323.824 3.531 50 0 DHAARN COc1ccccc1-c1noc(-c2ccc3c(c2)nc(C)n3C)n1 ZINC000069512064 563953220 /nfs/dbraw/zinc/95/32/20/563953220.db2.gz GNRSISNCMJDUII-UHFFFAOYSA-N 0 0 320.352 3.607 50 0 DHAARN CSc1cccc(NC(=O)N2CCc3ccc(O)cc3C2)c1 ZINC000069507872 563953265 /nfs/dbraw/zinc/95/32/65/563953265.db2.gz YOUXUMYORIKEPT-UHFFFAOYSA-N 0 0 314.410 3.704 50 0 DHAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C(C)C)ccc1O2 ZINC000009135396 563953346 /nfs/dbraw/zinc/95/33/46/563953346.db2.gz WJESHIKOYXSENT-UHFFFAOYSA-N 0 0 324.380 3.972 50 0 DHAARN c1ccc(-c2nccc(N3CCC[C@H]3c3ccccn3)n2)cc1 ZINC000069538975 563953468 /nfs/dbraw/zinc/95/34/68/563953468.db2.gz NGIKJBOSPUOIFA-KRWDZBQOSA-N 0 0 302.381 3.880 50 0 DHAARN Cc1nc2ccc(NC(=O)NCc3scnc3C)cc2s1 ZINC000069570446 563953541 /nfs/dbraw/zinc/95/35/41/563953541.db2.gz WJWCCFCCGXXAHV-UHFFFAOYSA-N 0 0 318.427 3.691 50 0 DHAARN C[C@H](CCNC(=O)Cc1noc2ccccc12)c1ccccc1 ZINC000069562583 563953580 /nfs/dbraw/zinc/95/35/80/563953580.db2.gz KNHGCYOHUUWUIX-CQSZACIVSA-N 0 0 308.381 3.680 50 0 DHAARN Cc1nnc([C@H](C)Sc2nnc(-c3ccccc3Cl)o2)o1 ZINC000069581592 563953620 /nfs/dbraw/zinc/95/36/20/563953620.db2.gz CTJGLKBMUINLOZ-ZETCQYMHSA-N 0 0 322.777 3.935 50 0 DHAARN O=C(CCc1ccccn1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000069596712 563953745 /nfs/dbraw/zinc/95/37/45/563953745.db2.gz CBHKZVWEHMHQLL-LJQANCHMSA-N 0 0 308.425 3.638 50 0 DHAARN O=C(Cn1cnc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000009157335 563953764 /nfs/dbraw/zinc/95/37/64/563953764.db2.gz ZHYHYQLCJJWCLO-UHFFFAOYSA-N 0 0 319.286 3.694 50 0 DHAARN FC(F)(F)c1cc(NCc2ccco2)nc(-c2ccccn2)n1 ZINC000069583468 563953782 /nfs/dbraw/zinc/95/37/82/563953782.db2.gz XHIDQUAJNGFGJX-UHFFFAOYSA-N 0 0 320.274 3.763 50 0 DHAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000009157848 563953823 /nfs/dbraw/zinc/95/38/23/563953823.db2.gz NWXRJPWCQCQDPG-UHFFFAOYSA-N 0 0 313.357 3.681 50 0 DHAARN Cc1csc(C2CCN(C(=O)c3sccc3C)CC2)n1 ZINC000069623044 563953882 /nfs/dbraw/zinc/95/38/82/563953882.db2.gz YPZMPMQAEUGYEO-UHFFFAOYSA-N 0 0 306.456 3.841 50 0 DHAARN O=C(c1csc(CCc2ccccc2)n1)N1CCCCC1 ZINC000069632000 563954016 /nfs/dbraw/zinc/95/40/16/563954016.db2.gz DWGDGDPNEXQQMC-UHFFFAOYSA-N 0 0 300.427 3.554 50 0 DHAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000009229913 563954163 /nfs/dbraw/zinc/95/41/63/563954163.db2.gz KHYMAAQGPMRMNW-UHFFFAOYSA-N 0 0 300.333 3.817 50 0 DHAARN Cc1cc(C)c(-c2c(=O)c(=O)c2N2CCc3ccccc32)cc1C ZINC000009224727 563954210 /nfs/dbraw/zinc/95/42/10/563954210.db2.gz JOHDMBOOIQSSTG-UHFFFAOYSA-N 0 0 317.388 3.569 50 0 DHAARN O=C(CCc1cscn1)N(Cc1ccccc1)CC1CCC1 ZINC000069736872 563954278 /nfs/dbraw/zinc/95/42/78/563954278.db2.gz POBVOLNEQOVXMI-UHFFFAOYSA-N 0 0 314.454 3.905 50 0 DHAARN C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)C1CCOCC1 ZINC000069705890 563954411 /nfs/dbraw/zinc/95/44/11/563954411.db2.gz JUKOZNPWQILDJW-INIZCTEOSA-N 0 0 324.424 3.598 50 0 DHAARN O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000069753514 563954606 /nfs/dbraw/zinc/95/46/06/563954606.db2.gz NLJSFSIGGQZNGW-LSDHHAIUSA-N 0 0 316.401 3.580 50 0 DHAARN Cn1c(CSc2cccc(Br)c2)nnc1C1CC1 ZINC000069770666 563954621 /nfs/dbraw/zinc/95/46/21/563954621.db2.gz URHMNZSZFIVTMP-UHFFFAOYSA-N 0 0 324.247 3.747 50 0 DHAARN O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000069751288 563954651 /nfs/dbraw/zinc/95/46/51/563954651.db2.gz ACZJFHCHKAIFIY-HUUCEWRRSA-N 0 0 316.401 3.580 50 0 DHAARN Cc1nc(C[S@](=O)Cc2ccccc2C(F)(F)F)cs1 ZINC000069772673 563954653 /nfs/dbraw/zinc/95/46/53/563954653.db2.gz HFGDNVVLWRUBKP-FQEVSTJZSA-N 0 0 319.373 3.919 50 0 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O=C(Nc1ccccn1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009322680 563955224 /nfs/dbraw/zinc/95/52/24/563955224.db2.gz CVWGTWIZOZMVRC-UHFFFAOYSA-N 0 0 302.333 3.565 50 0 DHAARN C[C@H]1Sc2ccc(C(=O)N(C)C3CCCCC3)cc2NC1=O ZINC000009366443 563955416 /nfs/dbraw/zinc/95/54/16/563955416.db2.gz QMENJOAIFLVAKG-LLVKDONJSA-N 0 0 318.442 3.524 50 0 DHAARN CCc1nnc([C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000070011863 563955574 /nfs/dbraw/zinc/95/55/74/563955574.db2.gz ROBSJNXUXCFUJH-JTQLQIEISA-N 0 0 313.323 3.844 50 0 DHAARN CC[C@H](C)c1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000009368115 563955678 /nfs/dbraw/zinc/95/56/78/563955678.db2.gz GPGXXEQUWIPAQP-WCQYABFASA-N 0 0 301.390 3.936 50 0 DHAARN COc1ccc(OC)c(C(=O)c2oc3cc(N)ccc3c2C)c1 ZINC000009423156 563955904 /nfs/dbraw/zinc/95/59/04/563955904.db2.gz QXMWORIDJXJHHV-UHFFFAOYSA-N 0 0 311.337 3.572 50 0 DHAARN CCC[C@@H](CC(=O)N[C@H]1CCCc2ccccc21)n1ccnc1 ZINC000009467114 563956209 /nfs/dbraw/zinc/95/62/09/563956209.db2.gz CNAKWJOKFULJSJ-WMZOPIPTSA-N 0 0 311.429 3.808 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Cc1ccc(-c2cc(-c3nc([C@H]4CCCOC4)no3)n[nH]2)c(C)c1 ZINC000347172865 1035247631 /nfs/dbraw/zinc/24/76/31/1035247631.db2.gz XTQMVYFBYPFBEP-ZDUSSCGKSA-N 0 0 324.384 3.638 50 0 DHAARN CNc1nnc(S[C@@H](C)C(=O)c2cc(C)ccc2C)s1 ZINC000007102143 1035288270 /nfs/dbraw/zinc/28/82/70/1035288270.db2.gz DGVLOICABHEYIR-JTQLQIEISA-N 0 0 307.444 3.560 50 0 DHAARN C[C@H](NCc1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000192932602 1035334386 /nfs/dbraw/zinc/33/43/86/1035334386.db2.gz WGERFLSROVIGKG-NSHDSACASA-N 0 0 312.394 3.876 50 0 DHAARN C[C@H]1C[C@H]1C(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000071185111 1036662732 /nfs/dbraw/zinc/66/27/32/1036662732.db2.gz UXVDTLNJHNRNOZ-SUMWQHHRSA-N 0 0 323.396 3.603 50 0 DHAARN Cc1cccc(/C=C/C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000032738364 1037690546 /nfs/dbraw/zinc/69/05/46/1037690546.db2.gz LRBIPWQACFMHDP-PLSXKVAHSA-N 0 0 305.381 3.762 50 0 DHAARN CC(C)Cn1cc(C(=O)N2CCCC[C@H]3CCCC[C@H]32)cn1 ZINC000252570381 1037833678 /nfs/dbraw/zinc/83/36/78/1037833678.db2.gz WPGZCPYHZKAPEY-NVXWUHKLSA-N 0 0 303.450 3.724 50 0 DHAARN CC(C)[C@@H](NC(=O)NC1CCOCC1)c1ccccc1Cl ZINC000172064923 1039727804 /nfs/dbraw/zinc/72/78/04/1039727804.db2.gz CSYKCCYYQPAKCP-OAHLLOKOSA-N 0 0 310.825 3.515 50 0 DHAARN Cc1ccc(Cl)c(NC(=O)Nc2cnn(CCF)c2)c1C ZINC000626537664 1040136151 /nfs/dbraw/zinc/13/61/51/1040136151.db2.gz ABFPARWNJUSQSK-UHFFFAOYSA-N 0 0 310.760 3.767 50 0 DHAARN CCN1C(=O)CC[C@]2(C(=O)Nc3ccc(C)cc3)CCCC=C12 ZINC000169749831 1040858457 /nfs/dbraw/zinc/85/84/57/1040858457.db2.gz KTKNYYXQTWEDSB-LJQANCHMSA-N 0 0 312.413 3.630 50 0 DHAARN CCCN(C[C@H]1CCOC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000169763712 1040872234 /nfs/dbraw/zinc/87/22/34/1040872234.db2.gz ACUIPLLEBIHIAU-GFCCVEGCSA-N 0 0 315.335 3.594 50 0 DHAARN CCCN(C[C@@H]1CCOC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000169762878 1040873716 /nfs/dbraw/zinc/87/37/16/1040873716.db2.gz VETPJRCVNUMOOV-LBPRGKRZSA-N 0 0 315.335 3.594 50 0 DHAARN COc1ccccc1-c1nc2nccc(-c3ccsc3)n2n1 ZINC000095474133 185372886 /nfs/dbraw/zinc/37/28/86/185372886.db2.gz DEAMBVXIBZLBSE-UHFFFAOYSA-N 0 0 308.366 3.528 50 0 DHAARN CC(C)NC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000095475012 185373123 /nfs/dbraw/zinc/37/31/23/185373123.db2.gz YKRPOSXNLZOTFL-HNNXBMFYSA-N 0 0 304.821 3.840 50 0 DHAARN Cc1csc(NC(=O)CC2(n3cccc3)CCCCC2)n1 ZINC000095480562 185373639 /nfs/dbraw/zinc/37/36/39/185373639.db2.gz FIKOLLCEMVZNTD-UHFFFAOYSA-N 0 0 303.431 3.941 50 0 DHAARN COC[C@@H]1CCN(C(=O)Nc2ccc(Cl)c3ccccc23)C1 ZINC000095522650 185377300 /nfs/dbraw/zinc/37/73/00/185377300.db2.gz RINJJTTVZRRRHJ-GFCCVEGCSA-N 0 0 318.804 3.993 50 0 DHAARN Cc1nnc([C@@H](C)Nc2ccc(OCCc3ccccc3)nc2)o1 ZINC000076859187 185047251 /nfs/dbraw/zinc/04/72/51/185047251.db2.gz JZWBGOVVLBZRBK-CYBMUJFWSA-N 0 0 324.384 3.568 50 0 DHAARN c1ccc(CN(Cc2nc(-c3ccccn3)no2)CC2CC2)cc1 ZINC000076949855 185060117 /nfs/dbraw/zinc/06/01/17/185060117.db2.gz LZIHZBWBSGMMDM-UHFFFAOYSA-N 0 0 320.396 3.544 50 0 DHAARN CC[C@@H](Cn1ccnc1)NC(=O)Nc1cc(C)c(F)cc1Cl ZINC000095521385 185377468 /nfs/dbraw/zinc/37/74/68/185377468.db2.gz ZRUKEBDFCTYEBY-NSHDSACASA-N 0 0 324.787 3.584 50 0 DHAARN COc1ccc(C(=O)N2CCCC2)cc1NCc1ccccc1 ZINC000078920493 185129059 /nfs/dbraw/zinc/12/90/59/185129059.db2.gz TYFHAZQVEBWPFL-UHFFFAOYSA-N 0 0 310.397 3.543 50 0 DHAARN CC(C)(C)OC(=O)N1CCC(c2ccc3n[nH]cc3c2)CC1 ZINC000079034415 185147678 /nfs/dbraw/zinc/14/76/78/185147678.db2.gz VDQNQVSRYRNKSO-UHFFFAOYSA-N 0 0 301.390 3.677 50 0 DHAARN Cc1ccc(CN(C)S(=O)(=O)/C=C\c2ccccc2)c(C)c1 ZINC000096809546 185388755 /nfs/dbraw/zinc/38/87/55/185388755.db2.gz GYUHPGVDILLMAD-QXMHVHEDSA-N 0 0 315.438 3.736 50 0 DHAARN c1ncn(-c2ccc(NCc3cc(-c4ccccc4)no3)cc2)n1 ZINC000079311334 185164487 /nfs/dbraw/zinc/16/44/87/185164487.db2.gz QRUFLHSSPJHROQ-UHFFFAOYSA-N 0 0 317.352 3.534 50 0 DHAARN O=C(CCc1ccc2c(c1)CCO2)Nc1ccc2[nH]ccc2c1 ZINC000079189931 185161165 /nfs/dbraw/zinc/16/11/65/185161165.db2.gz CPSHGIZEAXFATK-UHFFFAOYSA-N 0 0 306.365 3.674 50 0 biogenic DHAARN O=C(CCCCCNc1ncccn1)NC1CCCCCCC1 ZINC000079473372 185172872 /nfs/dbraw/zinc/17/28/72/185172872.db2.gz OMHBINZEDOGFQG-UHFFFAOYSA-N 0 0 318.465 3.678 50 0 DHAARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2C1CCCCC1 ZINC000079480366 185173381 /nfs/dbraw/zinc/17/33/81/185173381.db2.gz AVVCCVVDSWYJSF-CYBMUJFWSA-N 0 0 309.435 3.714 50 0 DHAARN Cc1nc(SC/C=C\c2ccccc2)c(C(N)=O)c(C)c1C ZINC000096865099 185389998 /nfs/dbraw/zinc/38/99/98/185389998.db2.gz XCWGWBCECJMVGZ-YFHOEESVSA-N 0 0 312.438 3.911 50 0 DHAARN O[C@@H]1CCCN(c2cc(-c3ccccc3)c3ccccc3n2)C1 ZINC000082164541 185174465 /nfs/dbraw/zinc/17/44/65/185174465.db2.gz KPBLWWBDVVXFFF-MRXNPFEDSA-N 0 0 304.393 3.863 50 0 DHAARN O=C(CCCc1ccccc1)Nc1nc2ccccc2c(=O)s1 ZINC000096905821 185390743 /nfs/dbraw/zinc/39/07/43/185390743.db2.gz QMBOZLGNPMVERZ-UHFFFAOYSA-N 0 0 324.405 3.618 50 0 in-vitro DHAARN CCc1nnc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)o1 ZINC000328587103 231232784 /nfs/dbraw/zinc/23/27/84/231232784.db2.gz YYSJZRIZLADZBI-CYBMUJFWSA-N 0 0 303.381 3.541 50 0 DHAARN C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)c1cccc(O)c1 ZINC000225445528 201710171 /nfs/dbraw/zinc/71/01/71/201710171.db2.gz ZNVLUXRMYVIEJJ-CHWSQXEVSA-N 0 0 301.411 3.750 50 0 DHAARN Cc1cc(C(=O)Nc2cnn(-c3ccccc3F)c2)c(C)s1 ZINC000088232332 185242912 /nfs/dbraw/zinc/24/29/12/185242912.db2.gz RZZPOEDTYFVVGC-UHFFFAOYSA-N 0 0 315.373 3.942 50 0 DHAARN COc1cccc(/C=C\C(=O)Nc2nc(C(C)C)cs2)c1 ZINC000096924766 185391709 /nfs/dbraw/zinc/39/17/09/185391709.db2.gz JERIQTVWNVMNRO-FPLPWBNLSA-N 0 0 302.399 3.927 50 0 DHAARN Cc1cccc(NC(=O)/C=C\c2cc(F)cc3c2OCOC3)c1 ZINC000096925550 185392030 /nfs/dbraw/zinc/39/20/30/185392030.db2.gz JGCQPVYSUKQDAD-WAYWQWQTSA-N 0 0 313.328 3.653 50 0 DHAARN C/C=C\c1cc(C(=O)Nc2ccccc2O)cc(OC)c1OC ZINC000096930734 185392598 /nfs/dbraw/zinc/39/25/98/185392598.db2.gz HZQSDLZSWZQNBR-DAXSKMNVSA-N 0 0 313.353 3.695 50 0 DHAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F ZINC000096936214 185392713 /nfs/dbraw/zinc/39/27/13/185392713.db2.gz HWBCRPUYUJXHAS-UHFFFAOYSA-N 0 0 306.696 3.964 50 0 DHAARN Cc1nc(/C=C\C(=O)Nc2ccccc2N2CCCC2)cs1 ZINC000096936040 185392714 /nfs/dbraw/zinc/39/27/14/185392714.db2.gz YSUCULMAUDFFFT-HJWRWDBZSA-N 0 0 313.426 3.704 50 0 DHAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cc2ccccc2o1 ZINC000096935635 185392741 /nfs/dbraw/zinc/39/27/41/185392741.db2.gz VCCQMJLFFFTUJI-XNTDXEJSSA-N 0 0 307.280 3.916 50 0 DHAARN O=C(/C=C\c1ccc2c(c1)CCO2)Nc1ccc(F)c(F)c1F ZINC000096935552 185392774 /nfs/dbraw/zinc/39/27/74/185392774.db2.gz BECPDZSLEQVDOK-KXFIGUGUSA-N 0 0 319.282 3.691 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)NC(C)(C)c2nccs2)cc1F ZINC000088785847 185265797 /nfs/dbraw/zinc/26/57/97/185265797.db2.gz YGZBCAMLQWCLOK-NSHDSACASA-N 0 0 321.421 3.886 50 0 DHAARN Cc1noc(C)c1CNc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000090200207 185286838 /nfs/dbraw/zinc/28/68/38/185286838.db2.gz WGDGIODKDZUIJL-UHFFFAOYSA-N 0 0 316.792 3.802 50 0 DHAARN CCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000359682 190613665 /nfs/dbraw/zinc/61/36/65/190613665.db2.gz UOWVENIGKZNQDM-UHFFFAOYSA-N 0 0 311.621 3.870 50 0 DHAARN O=C(CN(Cc1ccccc1)C1=NCCS1)c1cccs1 ZINC000000509860 190615338 /nfs/dbraw/zinc/61/53/38/190615338.db2.gz RUMQWXUVJAUVPK-UHFFFAOYSA-N 0 0 316.451 3.536 50 0 DHAARN COc1cc(NC(=O)c2cc(C(C)C)on2)c(OC)cc1Cl ZINC000002465732 190616205 /nfs/dbraw/zinc/61/62/05/190616205.db2.gz NQKWRELILZFNQJ-UHFFFAOYSA-N 0 0 324.764 3.721 50 0 DHAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000000110858 190611804 /nfs/dbraw/zinc/61/18/04/190611804.db2.gz PPOYPNYEZKRGHA-GFCCVEGCSA-N 0 0 315.344 3.552 50 0 aggregator DHAARN O=C1NC(c2ccco2)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000005002652 190620731 /nfs/dbraw/zinc/62/07/31/190620731.db2.gz WMSGBXLVIUMRHR-WDZFZDKYSA-N 0 0 307.136 3.504 50 0 DHAARN Cc1occc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009483886 190633042 /nfs/dbraw/zinc/63/30/42/190633042.db2.gz YNDZRWDQGVCPKU-UHFFFAOYSA-N 0 0 312.369 3.513 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)/C=C\c2cccs2)c1C ZINC000096996539 185395575 /nfs/dbraw/zinc/39/55/75/185395575.db2.gz FRDYZBCEVKFYGX-HJWRWDBZSA-N 0 0 300.383 3.667 50 0 DHAARN O=C(OCc1ccc(Cl)s1)c1cc(-c2ccco2)[nH]n1 ZINC000096997889 185395951 /nfs/dbraw/zinc/39/59/51/185395951.db2.gz IGMBWQCULBMKRG-UHFFFAOYSA-N 0 0 308.746 3.742 50 0 DHAARN O=C(Cc1cccnc1)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000095394655 185352548 /nfs/dbraw/zinc/35/25/48/185352548.db2.gz LQVXJTJYVATTRW-UHFFFAOYSA-N 0 0 307.349 3.855 50 0 DHAARN CSc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)o1 ZINC000095395599 185352707 /nfs/dbraw/zinc/35/27/07/185352707.db2.gz MBANEPOTHZAASF-KRWDZBQOSA-N 0 0 324.405 3.916 50 0 DHAARN COc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(SC)o2)cc1 ZINC000095395587 185352739 /nfs/dbraw/zinc/35/27/39/185352739.db2.gz PATNQWTYYAKTTG-GFCCVEGCSA-N 0 0 319.426 3.713 50 0 DHAARN C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 ZINC000095396325 185352939 /nfs/dbraw/zinc/35/29/39/185352939.db2.gz DKTFZDJUOGKNNR-JFIYKMOQSA-N 0 0 300.446 3.832 50 0 DHAARN FC(F)Oc1ccccc1OCc1nccn1CC(F)(F)F ZINC000095399069 185353669 /nfs/dbraw/zinc/35/36/69/185353669.db2.gz ASOYEZQVGUIJPI-UHFFFAOYSA-N 0 0 322.233 3.626 50 0 DHAARN O=C(c1ccc(Cl)cn1)N1CCCc2c(F)cc(F)cc21 ZINC000095398754 185353784 /nfs/dbraw/zinc/35/37/84/185353784.db2.gz MEXSSZQOWKPAEM-UHFFFAOYSA-N 0 0 308.715 3.606 50 0 DHAARN Cc1csc([C@@H](NCc2ccccc2N(C)C)C2CC2)n1 ZINC000095403014 185354793 /nfs/dbraw/zinc/35/47/93/185354793.db2.gz PCLCPOPNXISMOW-INIZCTEOSA-N 0 0 301.459 3.758 50 0 DHAARN CCc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000299789148 529718226 /nfs/dbraw/zinc/71/82/26/529718226.db2.gz XKVYWGJPTGKCPO-LLVKDONJSA-N 0 0 321.471 3.838 50 0 DHAARN CCN(C(=O)c1ccc(F)c(Br)c1)c1ccncc1 ZINC000095403574 185355109 /nfs/dbraw/zinc/35/51/09/185355109.db2.gz YYAMNHUTUYUIJD-UHFFFAOYSA-N 0 0 323.165 3.650 50 0 DHAARN CCO[C@H](C)c1nc(CN(C)[C@@H](C)c2ccncc2)cs1 ZINC000095404896 185355346 /nfs/dbraw/zinc/35/53/46/185355346.db2.gz ZQHLQRRYGUGAFO-QWHCGFSZSA-N 0 0 305.447 3.829 50 0 DHAARN CC(=O)c1ccc(NC(=S)NCCc2cccc(F)c2)cc1 ZINC000013577431 190637992 /nfs/dbraw/zinc/63/79/92/190637992.db2.gz CXFNHIQDFLUPFM-UHFFFAOYSA-N 0 0 316.401 3.557 50 0 DHAARN CC(C)N(C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000095416094 185359064 /nfs/dbraw/zinc/35/90/64/185359064.db2.gz GPMWQTLCSGKSIZ-UHFFFAOYSA-N 0 0 301.268 3.719 50 0 DHAARN Cc1ccoc1C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000095418215 185359500 /nfs/dbraw/zinc/35/95/00/185359500.db2.gz VKEGPLRWUMRVPO-GJZGRUSLSA-N 0 0 317.385 3.690 50 0 DHAARN CCc1noc([C@H](C)SCc2ccc(C(=O)OC)c(F)c2)n1 ZINC000095410973 185357263 /nfs/dbraw/zinc/35/72/63/185357263.db2.gz RVHXIKXXIFDZOG-VIFPVBQESA-N 0 0 324.377 3.552 50 0 DHAARN CC(=O)Nc1ccc(C)c(NCc2c[nH]c(-c3ccccc3)n2)c1 ZINC000095428526 185362216 /nfs/dbraw/zinc/36/22/16/185362216.db2.gz UBMOIFUAFGDRBE-UHFFFAOYSA-N 0 0 320.396 3.956 50 0 DHAARN CCc1ncc(CNc2cc(NC(=O)C3CC3)ccc2C)s1 ZINC000095428525 185362253 /nfs/dbraw/zinc/36/22/53/185362253.db2.gz ZZPVYDQZGCZVJX-UHFFFAOYSA-N 0 0 315.442 3.975 50 0 DHAARN O=C(c1cccc(NCc2ccsc2)c1)N1CCSCC1 ZINC000095428861 185362255 /nfs/dbraw/zinc/36/22/55/185362255.db2.gz RHAQSPOHPLOWDK-UHFFFAOYSA-N 0 0 318.467 3.549 50 0 DHAARN O=C(c1cccc(NCc2cccs2)c1)N1CCSCC1 ZINC000095428862 185362272 /nfs/dbraw/zinc/36/22/72/185362272.db2.gz XKYCSBSAWOCYLQ-UHFFFAOYSA-N 0 0 318.467 3.549 50 0 DHAARN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCc2cccc(F)c21 ZINC000095436257 185364821 /nfs/dbraw/zinc/36/48/21/185364821.db2.gz VPEMQGCVTINKMI-JTQLQIEISA-N 0 0 302.349 3.513 50 0 DHAARN CC(C)(C)SCCCC(=O)N1CCC(=O)Nc2ccccc21 ZINC000095436006 185364856 /nfs/dbraw/zinc/36/48/56/185364856.db2.gz HHEDTHJYVUGQMW-UHFFFAOYSA-N 0 0 320.458 3.674 50 0 DHAARN Cc1ccc(SC2(CNC(=O)[C@H]3CCOC3)CCCC2)cc1 ZINC000097012506 185396866 /nfs/dbraw/zinc/39/68/66/185396866.db2.gz JTKJSYWHEXGBFR-HNNXBMFYSA-N 0 0 319.470 3.553 50 0 DHAARN CC[C@@H](NC(=O)NCc1cccc(Cl)c1)c1c(C)noc1C ZINC000095441247 185366657 /nfs/dbraw/zinc/36/66/57/185366657.db2.gz OKERUDMJPIBTLG-CQSZACIVSA-N 0 0 321.808 3.895 50 0 DHAARN Cn1c2ccc(Cl)cc2nc1-c1ccc([S@](C)=O)cc1 ZINC000095442578 185366685 /nfs/dbraw/zinc/36/66/85/185366685.db2.gz WHUAYDIPIHKSRN-HXUWFJFHSA-N 0 0 304.802 3.631 50 0 DHAARN CC[C@H]1c2cccn2CCN1C(=O)Cn1c(C)cc2ccccc21 ZINC000095450060 185368831 /nfs/dbraw/zinc/36/88/31/185368831.db2.gz DGPJRASHKLKQFN-KRWDZBQOSA-N 0 0 321.424 3.745 50 0 DHAARN Cc1ccc(C)c(OCCOC(=O)C(C)(C)c2cccnc2)c1 ZINC000095454624 185369659 /nfs/dbraw/zinc/36/96/59/185369659.db2.gz QDZCLDSFXSSJEB-UHFFFAOYSA-N 0 0 313.397 3.598 50 0 DHAARN CC(C)n1ncc2cc(CNc3ccc4n[nH]cc4c3)cnc21 ZINC000095440144 185365888 /nfs/dbraw/zinc/36/58/88/185365888.db2.gz AIXPZVHYWYSXDO-UHFFFAOYSA-N 0 0 306.373 3.501 50 0 DHAARN Cc1ncc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)s1 ZINC000095440177 185366060 /nfs/dbraw/zinc/36/60/60/185366060.db2.gz IITNDAYENLXCGT-UHFFFAOYSA-N 0 0 311.414 3.726 50 0 DHAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1CCOCC1 ZINC000095440399 185366196 /nfs/dbraw/zinc/36/61/96/185366196.db2.gz XUQAFCLCPQTUNK-LBPRGKRZSA-N 0 0 310.463 3.521 50 0 DHAARN Cc1ccccc1OS(=O)(=O)c1c(C)ccc2cccnc21 ZINC000095465709 185371843 /nfs/dbraw/zinc/37/18/43/185371843.db2.gz FLKDWICTSMMBEC-UHFFFAOYSA-N 0 0 313.378 3.619 50 0 DHAARN C[C@H](Cc1ccccc1)OC(=O)c1ccc(-n2ccnc2)cc1 ZINC000095456257 185370066 /nfs/dbraw/zinc/37/00/66/185370066.db2.gz PYZBDDAPIJTLSZ-OAHLLOKOSA-N 0 0 306.365 3.660 50 0 DHAARN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC=C(F)C1 ZINC000095459835 185370802 /nfs/dbraw/zinc/37/08/02/185370802.db2.gz YDYGYUIXTQBXKM-UHFFFAOYSA-N 0 0 319.811 3.952 50 0 DHAARN CCc1nc(NC(=O)c2ccc(C(C)=O)cc2F)sc1C ZINC000095464310 185371411 /nfs/dbraw/zinc/37/14/11/185371411.db2.gz LBFZWEMMJBXFTA-UHFFFAOYSA-N 0 0 306.362 3.608 50 0 DHAARN CN(Cc1cscn1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000097014248 185397174 /nfs/dbraw/zinc/39/71/74/185397174.db2.gz TZFPMJBDXVZLHF-UHFFFAOYSA-N 0 0 300.427 3.515 50 0 DHAARN FC(F)(F)c1csc(CNc2cccc3c2OCCO3)n1 ZINC000097020752 185398283 /nfs/dbraw/zinc/39/82/83/185398283.db2.gz RVFQZVWNKIXKLT-UHFFFAOYSA-N 0 0 316.304 3.545 50 0 DHAARN C[C@@H](Nc1cccc(C(=O)N2CCCC2)c1)c1nccs1 ZINC000097045836 185402648 /nfs/dbraw/zinc/40/26/48/185402648.db2.gz FPDJLADXSXHOAF-GFCCVEGCSA-N 0 0 301.415 3.552 50 0 DHAARN 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191023957 /nfs/dbraw/zinc/02/39/57/191023957.db2.gz DMNSCTBVIHXNCW-CQSZACIVSA-N 0 0 321.380 3.851 50 0 DHAARN C[C@@H](c1cccs1)n1ccnc1-c1cnc(N(C)C)s1 ZINC000071755312 191024535 /nfs/dbraw/zinc/02/45/35/191024535.db2.gz QNKLWNZCQUNFEG-JTQLQIEISA-N 0 0 304.444 3.743 50 0 DHAARN Clc1ccc([C@@H]2CN(CCCc3cccnc3)CCO2)cc1 ZINC000071761203 191026800 /nfs/dbraw/zinc/02/68/00/191026800.db2.gz CQYHWLCOYYITLF-SFHVURJKSA-N 0 0 316.832 3.741 50 0 DHAARN O=C(Cc1coc(-c2ccccc2)n1)N[C@@H]1CCCc2occc21 ZINC000084564700 192440792 /nfs/dbraw/zinc/44/07/92/192440792.db2.gz RURWNFCCNFRRHO-MRXNPFEDSA-N 0 0 322.364 3.671 50 0 DHAARN CCc1ccc(CC(=O)Nc2c(C)cnn2-c2ccccc2)cc1 ZINC000084563494 192440832 /nfs/dbraw/zinc/44/08/32/192440832.db2.gz PLYYBQJOVDDLOZ-UHFFFAOYSA-N 0 0 319.408 3.924 50 0 DHAARN Cc1cc(Cn2ccnc2-c2ccc3c(c2)CC(C)(C)O3)no1 ZINC000071763688 191027787 /nfs/dbraw/zinc/02/77/87/191027787.db2.gz RLKRDZLUHAVCPY-UHFFFAOYSA-N 0 0 309.369 3.608 50 0 DHAARN O=C(Nc1cccc(-c2nccs2)c1)[C@@H]1Cc2ccccc2O1 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C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnn2c1CCCC2 ZINC000072145707 191050832 /nfs/dbraw/zinc/05/08/32/191050832.db2.gz UTDIOKFKWCFDNT-ZDUSSCGKSA-N 0 0 322.412 3.534 50 0 DHAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1 ZINC000072140681 191048600 /nfs/dbraw/zinc/04/86/00/191048600.db2.gz JVPPSIAODMSHCL-AWEZNQCLSA-N 0 0 313.401 3.511 50 0 DHAARN CC(C)c1cc(N2CCC(C(F)(F)F)CC2)n2nccc2n1 ZINC000072168308 191067017 /nfs/dbraw/zinc/06/70/17/191067017.db2.gz IPSANYBMVYPECI-UHFFFAOYSA-N 0 0 312.339 3.631 50 0 DHAARN CC(C)c1noc(-c2ccc(-c3ccc4c(c3)OCO4)nc2)n1 ZINC000072169433 191068570 /nfs/dbraw/zinc/06/85/70/191068570.db2.gz OKJGZIBORZIYHZ-UHFFFAOYSA-N 0 0 309.325 3.651 50 0 DHAARN CC(C)c1cc(NCc2ccc3cc[nH]c3c2)n2nccc2n1 ZINC000072171410 191068981 /nfs/dbraw/zinc/06/89/81/191068981.db2.gz ZECBIOMLIDGMSO-UHFFFAOYSA-N 0 0 305.385 3.946 50 0 DHAARN Cc1ccncc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072171206 191069428 /nfs/dbraw/zinc/06/94/28/191069428.db2.gz SOPWNQANUGRCSN-UHFFFAOYSA-N 0 0 315.380 3.940 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CCC[C@@H](NC(=O)c1cccc(-n2cnnc2)c1)c1ccccc1 ZINC000019938930 182168031 /nfs/dbraw/zinc/16/80/31/182168031.db2.gz SXXIATXUDYBWNC-GOSISDBHSA-N 0 0 320.396 3.539 50 0 DHAARN CC(C)(C)C(=O)Cn1c2ccccc2n(Cc2ccccc2)c1=N ZINC000020130544 182189772 /nfs/dbraw/zinc/18/97/72/182189772.db2.gz HRJQSJOMWSYYBO-UHFFFAOYSA-N 0 0 321.424 3.586 50 0 DHAARN Cc1ccc(Cl)cc1N(C)C(=O)c1noc2c1CCCC2 ZINC000020395539 182214371 /nfs/dbraw/zinc/21/43/71/182214371.db2.gz RSGVKRVGWBZRGL-UHFFFAOYSA-N 0 0 304.777 3.792 50 0 DHAARN CC(C)c1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000020400162 182214454 /nfs/dbraw/zinc/21/44/54/182214454.db2.gz HWVYEDLMCITYKR-GFCCVEGCSA-N 0 0 316.426 3.629 50 0 DHAARN O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1Cl ZINC000020375007 182213146 /nfs/dbraw/zinc/21/31/46/182213146.db2.gz UEATZVVJOPEBDW-UHFFFAOYSA-N 0 0 301.777 3.588 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(F)cc2Br)cc1 ZINC000020430085 182216626 /nfs/dbraw/zinc/21/66/26/182216626.db2.gz XNXQPFWOPGOCBA-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN Cc1cc(C)c(-c2c(=O)c(=O)c2NCc2cccs2)cc1C ZINC000020565444 182233195 /nfs/dbraw/zinc/23/31/95/182233195.db2.gz ANNYXDXVLKDJLQ-UHFFFAOYSA-N 0 0 311.406 3.548 50 0 DHAARN Cc1ccc(-c2c(=O)c(=O)c2N[C@@H]2CCCc3ccccc32)cc1 ZINC000020509240 182225793 /nfs/dbraw/zinc/22/57/93/182225793.db2.gz JKGLUPOJVUNKBR-QGZVFWFLSA-N 0 0 317.388 3.748 50 0 DHAARN Cc1ccc(-c2c(N[C@@H](C)c3ccccc3)c(=O)c2=O)cc1C ZINC000020509515 182225891 /nfs/dbraw/zinc/22/58/91/182225891.db2.gz VXMZSLURFBOZIT-AWEZNQCLSA-N 0 0 305.377 3.740 50 0 DHAARN O=C1CCCN1Cc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000020543327 182229585 /nfs/dbraw/zinc/22/95/85/182229585.db2.gz KGPIDIFEHMBLNC-UHFFFAOYSA-N 0 0 319.364 3.526 50 0 DHAARN O=C1C[C@@H](c2nc(-c3ccc(C4CCCCC4)cc3)c[nH]2)CN1 ZINC000020707591 182243146 /nfs/dbraw/zinc/24/31/46/182243146.db2.gz HLSFCLLRPZFPRD-MRXNPFEDSA-N 0 0 309.413 3.728 50 0 DHAARN Fc1ccc(-c2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000020721014 182243564 /nfs/dbraw/zinc/24/35/64/182243564.db2.gz QMCVLQMTPGVVJB-UHFFFAOYSA-N 0 0 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COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O ZINC000022056459 182306953 /nfs/dbraw/zinc/30/69/53/182306953.db2.gz JLVTVCRXFMLUIF-UHFFFAOYSA-N 0 0 319.723 3.880 50 0 in-vitro DHAARN Cc1csc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)n1 ZINC000022088251 182308079 /nfs/dbraw/zinc/30/80/79/182308079.db2.gz NMHJEMULVWDAJX-NEPJUHHUSA-N 0 0 306.456 3.810 50 0 DHAARN O=C(/C=C/c1ccco1)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000022087949 182308449 /nfs/dbraw/zinc/30/84/49/182308449.db2.gz RVNFRIKINQQKGE-VAWYXSNFSA-N 0 0 319.364 3.606 50 0 DHAARN CCC(CC)CNC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000022326131 182318303 /nfs/dbraw/zinc/31/83/03/182318303.db2.gz CRWQHCYPDBYARU-UHFFFAOYSA-N 0 0 302.374 3.516 50 0 DHAARN CCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000022204068 182313767 /nfs/dbraw/zinc/31/37/67/182313767.db2.gz KQYCKQCWZBLLBP-UHFFFAOYSA-N 0 0 311.596 3.971 50 0 DHAARN COc1ccc(OCCCOc2c(OC)cccc2OC)cc1 ZINC000022238517 182315041 /nfs/dbraw/zinc/31/50/41/182315041.db2.gz ZINYDHDAXXPFTA-UHFFFAOYSA-N 0 0 318.369 3.560 50 0 DHAARN Cc1noc(-c2ccncc2)c1C(=O)N[C@H](C)c1ccccc1 ZINC000022638239 182330018 /nfs/dbraw/zinc/33/00/18/182330018.db2.gz PBQRMTHECKYURS-GFCCVEGCSA-N 0 0 307.353 3.536 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)NCC1(c2cccs2)CC1 ZINC000022679962 182330435 /nfs/dbraw/zinc/33/04/35/182330435.db2.gz WFUOFUYVNUTCHR-UHFFFAOYSA-N 0 0 305.830 3.792 50 0 DHAARN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccsc1 ZINC000022424071 182321277 /nfs/dbraw/zinc/32/12/77/182321277.db2.gz RWHPCWWSMUKRJD-UHFFFAOYSA-N 0 0 314.410 3.673 50 0 DHAARN Cc1ccc2nc(C)c(C(=O)Nc3ccc(N(C)C)nc3)cc2c1 ZINC000022421031 182321471 /nfs/dbraw/zinc/32/14/71/182321471.db2.gz AJTIOJQKGWAANX-UHFFFAOYSA-N 0 0 320.396 3.565 50 0 DHAARN COc1cccc(CN(C)C(=O)NCC2(c3ccccc3)CC2)c1 ZINC000022427196 182321665 /nfs/dbraw/zinc/32/16/65/182321665.db2.gz NQAOJSKAYDDBIM-UHFFFAOYSA-N 0 0 324.424 3.568 50 0 DHAARN CC(C)(C)c1n[nH]c(SCc2cn3cc(Cl)ccc3n2)n1 ZINC000022748641 182332286 /nfs/dbraw/zinc/33/22/86/182332286.db2.gz SRLFYBGZLIVUTF-UHFFFAOYSA-N 0 0 321.837 3.696 50 0 DHAARN CCCCc1nnc(NC(=O)c2cc3cc(F)ccc3[nH]2)s1 ZINC000023024556 182344784 /nfs/dbraw/zinc/34/47/84/182344784.db2.gz NYAZMQZEBMVTSX-UHFFFAOYSA-N 0 0 318.377 3.753 50 0 DHAARN CC[C@H](C(=O)NCCOc1ccc(F)cc1)c1ccccc1 ZINC000023142393 182351616 /nfs/dbraw/zinc/35/16/16/182351616.db2.gz LFPLUCNFQMKXJM-KRWDZBQOSA-N 0 0 301.361 3.515 50 0 DHAARN Cc1cc(CN(C)c2ncnc3sc4c(c32)CCCC4)no1 ZINC000023185360 182352702 /nfs/dbraw/zinc/35/27/02/182352702.db2.gz RAEYSXRZACHWHT-UHFFFAOYSA-N 0 0 314.414 3.503 50 0 DHAARN CCc1c(C(=O)N2CCC[C@@H](C)C2)cnn1-c1ccc(C)cc1 ZINC000023108562 182347495 /nfs/dbraw/zinc/34/74/95/182347495.db2.gz QFXLIEHMJOTSTH-OAHLLOKOSA-N 0 0 311.429 3.615 50 0 DHAARN CC(C)(C)c1noc(Cn2c3ccccc3nc2C(F)(F)F)n1 ZINC000023107766 182347715 /nfs/dbraw/zinc/34/77/15/182347715.db2.gz HWXZRUIAVHSYFE-UHFFFAOYSA-N 0 0 324.306 3.784 50 0 DHAARN CC(=C\c1ccccc1)/C=C1\N=C(c2cccc(F)c2)NC1=O ZINC000023379241 182358510 /nfs/dbraw/zinc/35/85/10/182358510.db2.gz SANDIGMCIBBVGJ-NEOBQEPSSA-N 0 0 306.340 3.690 50 0 DHAARN O=C(CCc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023384045 182359310 /nfs/dbraw/zinc/35/93/10/182359310.db2.gz ZCYZWZLSGHJESG-OAQYLSRUSA-N 0 0 323.436 3.591 50 0 DHAARN CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000024325591 182378605 /nfs/dbraw/zinc/37/86/05/182378605.db2.gz KKSLLGDOUGZPOG-UHFFFAOYSA-N 0 0 322.408 3.624 50 0 DHAARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H](C)O1 ZINC000024002266 182372265 /nfs/dbraw/zinc/37/22/65/182372265.db2.gz LKVKAYUOSLMJRV-HZPDHXFCSA-N 0 0 324.424 3.548 50 0 DHAARN FC(F)(F)c1ccnc(NCCc2c[nH]c3ccccc23)n1 ZINC000024052790 182373589 /nfs/dbraw/zinc/37/35/89/182373589.db2.gz BNYQLWLHQIHIRS-UHFFFAOYSA-N 0 0 306.291 3.631 50 0 DHAARN O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCCCC1 ZINC000024828625 182392489 /nfs/dbraw/zinc/39/24/89/182392489.db2.gz KLGILHCALVTWGC-UHFFFAOYSA-N 0 0 321.380 3.758 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)nc1 ZINC000024567459 182383732 /nfs/dbraw/zinc/38/37/32/182383732.db2.gz FLUVAAZSYDUGOS-UHFFFAOYSA-N 0 0 319.364 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3.669 50 0 DHAARN CCCn1c2c(c(SCc3ccccc3F)nc1=O)CCC2 ZINC000028286776 182518871 /nfs/dbraw/zinc/51/88/71/182518871.db2.gz FVKJDQXJJPOMQL-UHFFFAOYSA-N 0 0 318.417 3.573 50 0 DHAARN CC[C@H](C)C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000028305944 182520165 /nfs/dbraw/zinc/52/01/65/182520165.db2.gz VLKPSEAQWQCRTR-JTQLQIEISA-N 0 0 309.772 3.709 50 0 DHAARN CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000029568777 182570532 /nfs/dbraw/zinc/57/05/32/182570532.db2.gz PFMDTYCVXOWAIV-OAHLLOKOSA-N 0 0 318.417 3.587 50 0 DHAARN Cc1cc(CN(C)Cc2csc(-c3ccsc3)n2)no1 ZINC000029727714 182575131 /nfs/dbraw/zinc/57/51/31/182575131.db2.gz DDTCZQZBNADCAC-UHFFFAOYSA-N 0 0 305.428 3.800 50 0 DHAARN O=C(c1cc(C2CC2)on1)N(Cc1ccco1)Cc1ccco1 ZINC000030470069 182590003 /nfs/dbraw/zinc/59/00/03/182590003.db2.gz KKAHBKRWJFENOY-UHFFFAOYSA-N 0 0 312.325 3.581 50 0 DHAARN O=C(C[C@H]1C=CCC1)Nc1cccc(OCc2ccccn2)c1 ZINC000031455084 182614534 /nfs/dbraw/zinc/61/45/34/182614534.db2.gz WXALDWBQWKCZPT-HNNXBMFYSA-N 0 0 308.381 3.955 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302.351 3.998 50 0 DHAARN COc1cccc(C(=O)N[C@H](C)c2cc(C)ccc2C)c1OC ZINC000032983403 182685688 /nfs/dbraw/zinc/68/56/88/182685688.db2.gz PKJBAPRZRLJVAM-CQSZACIVSA-N 0 0 313.397 3.812 50 0 DHAARN CCc1nc(-c2ccc(NC(=O)N3CCCCCC3)cc2)no1 ZINC000032996320 182686998 /nfs/dbraw/zinc/68/69/98/182686998.db2.gz IUPSUFYPNWLUOD-UHFFFAOYSA-N 0 0 314.389 3.707 50 0 DHAARN Cc1noc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1 ZINC000033012767 182689015 /nfs/dbraw/zinc/68/90/15/182689015.db2.gz KASVILMZLWCULE-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN Cc1cccc2s/c(=N/C(=O)c3cccc(Cl)c3)n(C)c21 ZINC000100878761 193805682 /nfs/dbraw/zinc/80/56/82/193805682.db2.gz KLEZJZJPYCOJOF-FBMGVBCBSA-N 0 0 316.813 3.943 50 0 DHAARN C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(Cl)s1 ZINC000033192588 182695887 /nfs/dbraw/zinc/69/58/87/182695887.db2.gz QHTPIBHJDCACMA-JOYOIKCWSA-N 0 0 307.802 3.582 50 0 DHAARN O=C(c1ccc(-c2noc(C3CCCC3)n2)cc1)N1CCCC1 ZINC000033254364 182697780 /nfs/dbraw/zinc/69/77/80/182697780.db2.gz JATAHWILOXTRIR-UHFFFAOYSA-N 0 0 311.385 3.630 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc21 ZINC000033100819 182693163 /nfs/dbraw/zinc/69/31/63/182693163.db2.gz KFLMAZSDZSWOAN-OCCSQVGLSA-N 0 0 315.417 3.997 50 0 DHAARN COc1cccc(/C=C2/c3ccccc3N(C)C2=O)c1OC(C)C ZINC000033471345 182714191 /nfs/dbraw/zinc/71/41/91/182714191.db2.gz BSMXEBDHABSVAB-VBKFSLOCSA-N 0 0 323.392 3.999 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)/C=C\c1cccs1 ZINC000033318473 182703839 /nfs/dbraw/zinc/70/38/39/182703839.db2.gz SRTOPBXZSAJZRX-SREVYHEPSA-N 0 0 321.423 3.865 50 0 DHAARN Cc1ccccc1C(=O)Nc1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000101078456 193807694 /nfs/dbraw/zinc/80/76/94/193807694.db2.gz HMMLOOLJQMWUPM-CYBMUJFWSA-N 0 0 320.392 3.644 50 0 DHAARN Cc1oc2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000035378200 182772942 /nfs/dbraw/zinc/77/29/42/182772942.db2.gz MHCRIWHYUZYBNJ-UHFFFAOYSA-N 0 0 322.286 3.673 50 0 DHAARN CCCNC(=O)N(Cc1cc(-c2ccc(F)cc2)on1)C1CC1 ZINC000036004559 182791229 /nfs/dbraw/zinc/79/12/29/182791229.db2.gz NYLBQFRFIBTJEN-UHFFFAOYSA-N 0 0 317.364 3.565 50 0 DHAARN O=C(C1CCC1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399392 182774082 /nfs/dbraw/zinc/77/40/82/182774082.db2.gz PGFIBEMSFAYFDK-UHFFFAOYSA-N 0 0 321.424 3.521 50 0 biogenic DHAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000035511339 182778650 /nfs/dbraw/zinc/77/86/50/182778650.db2.gz JHGMNOLUJCJFJZ-OAHLLOKOSA-N 0 0 315.373 3.751 50 0 DHAARN CC[C@H]1CCCCN1S(=O)(=O)c1cccc2ccccc21 ZINC000035685888 182786698 /nfs/dbraw/zinc/78/66/98/182786698.db2.gz GFELUIXUIYGAGH-HNNXBMFYSA-N 0 0 303.427 3.793 50 0 DHAARN Fc1ccc(Cl)cc1-c1nnc2sc(C3CCC3)nn21 ZINC000036352812 182818021 /nfs/dbraw/zinc/81/80/21/182818021.db2.gz IYYMDVQBPIXFBA-UHFFFAOYSA-N 0 0 308.769 3.913 50 0 DHAARN Cn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000036369810 182819793 /nfs/dbraw/zinc/81/97/93/182819793.db2.gz PHSFDRWJLIFKQI-UHFFFAOYSA-N 0 0 317.392 3.632 50 0 biogenic DHAARN CCOC(=O)c1cc2cc(Br)cc(C)c2nc1C ZINC000036075665 182795490 /nfs/dbraw/zinc/79/54/90/182795490.db2.gz VJYQABAYMMJICK-UHFFFAOYSA-N 0 0 308.175 3.791 50 0 DHAARN Nc1nc[nH]c1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000036489952 182826202 /nfs/dbraw/zinc/82/62/02/182826202.db2.gz VQWXOWMDAVQNLT-UHFFFAOYSA-N 0 0 321.203 3.545 50 0 DHAARN C[C@H](SCCOc1ccccc1)C(=O)Nc1ccccc1F ZINC000036701198 182836191 /nfs/dbraw/zinc/83/61/91/182836191.db2.gz ACRSWPXQSZXHFE-ZDUSSCGKSA-N 0 0 319.401 3.965 50 0 DHAARN CC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)on2)on1 ZINC000038488869 183000306 /nfs/dbraw/zinc/00/03/06/183000306.db2.gz QHPYVPDBMUKEOL-UHFFFAOYSA-N 0 0 311.341 3.879 50 0 DHAARN O=C(Nc1c(F)cccc1F)N1CCO[C@H](c2ccccc2)C1 ZINC000038569933 183003087 /nfs/dbraw/zinc/00/30/87/183003087.db2.gz LSUDASYQAHKTCN-HNNXBMFYSA-N 0 0 318.323 3.570 50 0 DHAARN O=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000040009550 183027119 /nfs/dbraw/zinc/02/71/19/183027119.db2.gz UYHGDDPGPYKWKD-NTUHNPAUSA-N 0 0 318.159 3.804 50 0 DHAARN O=C(NCc1ccco1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000040012749 183028105 /nfs/dbraw/zinc/02/81/05/183028105.db2.gz FSEUREODQBTNBU-ZDUSSCGKSA-N 0 0 322.817 3.969 50 0 DHAARN Cc1ccc(OCCNC(=O)N(C)Cc2ccccc2)c(C)c1 ZINC000040024955 183028143 /nfs/dbraw/zinc/02/81/43/183028143.db2.gz FALJXNIJAGWUNJ-UHFFFAOYSA-N 0 0 312.413 3.524 50 0 DHAARN Cc1ccccc1CN(C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000040067897 183030536 /nfs/dbraw/zinc/03/05/36/183030536.db2.gz VKVBERHFFMJAGE-HNNXBMFYSA-N 0 0 300.402 3.751 50 0 DHAARN CCOC(=O)c1csc(-c2ccccc2Br)n1 ZINC000039121825 183014078 /nfs/dbraw/zinc/01/40/78/183014078.db2.gz CPLANXDOXGJYNP-UHFFFAOYSA-N 0 0 312.188 3.749 50 0 DHAARN CCOc1ccc(CN(CC)C(=O)[C@@H]2CC=CCC2)cc1OC ZINC000039976002 183025938 /nfs/dbraw/zinc/02/59/38/183025938.db2.gz DHSHIJJBFPCBID-MRXNPFEDSA-N 0 0 317.429 3.799 50 0 DHAARN O=C(NCc1ccoc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000040145357 183040126 /nfs/dbraw/zinc/04/01/26/183040126.db2.gz AOJZTPBWPRAYEC-ZDUSSCGKSA-N 0 0 322.817 3.969 50 0 DHAARN Fc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c2ncccc12 ZINC000040153605 183040746 /nfs/dbraw/zinc/04/07/46/183040746.db2.gz JBLNJILUIKZBCA-DLBZAZTESA-N 0 0 300.377 3.517 50 0 DHAARN Cc1ccccc1NCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000040159386 183041289 /nfs/dbraw/zinc/04/12/89/183041289.db2.gz IOCAPUPUPQLJMT-UHFFFAOYSA-N 0 0 321.424 3.637 50 0 DHAARN COc1cccc(CN(C)Cc2ccccc2Cl)c1OC ZINC000040161693 183041804 /nfs/dbraw/zinc/04/18/04/183041804.db2.gz UJMHZGDDDSVVSZ-UHFFFAOYSA-N 0 0 305.805 3.989 50 0 DHAARN CN(C)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000040162158 183042226 /nfs/dbraw/zinc/04/22/26/183042226.db2.gz BBDMDUBTPIIAHL-UHFFFAOYSA-N 0 0 308.834 3.740 50 0 DHAARN COc1ccccc1-c1cc(C(=O)NCC2CCCCC2)no1 ZINC000040087371 183032554 /nfs/dbraw/zinc/03/25/54/183032554.db2.gz DKZCEVPPOPGFKS-UHFFFAOYSA-N 0 0 314.385 3.660 50 0 DHAARN COc1ccccc1-c1csc(NC(=O)C2CCCC2)n1 ZINC000040089400 183032793 /nfs/dbraw/zinc/03/27/93/183032793.db2.gz XQVGHFQURVEAAT-UHFFFAOYSA-N 0 0 302.399 3.947 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCOc2cccc(Cl)c2)o1 ZINC000040091146 183033309 /nfs/dbraw/zinc/03/33/09/183033309.db2.gz CVNOJOLIXSTHOS-GFCCVEGCSA-N 0 0 307.777 3.888 50 0 DHAARN COc1ccc(C)cc1NC(=O)NCc1ccccc1Cl ZINC000040097970 183034850 /nfs/dbraw/zinc/03/48/50/183034850.db2.gz VOGWOLQCWPYNRG-UHFFFAOYSA-N 0 0 304.777 3.979 50 0 DHAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(Cl)cc1F ZINC000040108302 183036467 /nfs/dbraw/zinc/03/64/67/183036467.db2.gz RPZONSCKJKFWAF-NHYWBVRUSA-N 0 0 313.800 3.804 50 0 DHAARN O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(Cl)c1 ZINC000040107356 183036497 /nfs/dbraw/zinc/03/64/97/183036497.db2.gz HXVWYMYOGZEZBI-UHFFFAOYSA-N 0 0 311.772 3.707 50 0 DHAARN O=C(Nc1ccc(OC2CCCC2)cc1)N1CCSCC1 ZINC000040120626 183037753 /nfs/dbraw/zinc/03/77/53/183037753.db2.gz PJFHWQBUQXRFCP-UHFFFAOYSA-N 0 0 306.431 3.589 50 0 DHAARN CC(C)(C)n1nc(C(=O)NCCc2cccs2)cc1C1CC1 ZINC000040134957 183039060 /nfs/dbraw/zinc/03/90/60/183039060.db2.gz GVWCTFMAEDKRIH-UHFFFAOYSA-N 0 0 317.458 3.550 50 0 DHAARN COC(=O)c1cc(F)ccc1NC(=O)/C=C/c1cccc(C)c1 ZINC000040142718 183039171 /nfs/dbraw/zinc/03/91/71/183039171.db2.gz HNLALWUBYTYMAA-RMKNXTFCSA-N 0 0 313.328 3.573 50 0 DHAARN CC(=O)c1csc(NC(=O)CCCc2ccc(C)cc2)n1 ZINC000040141561 183039374 /nfs/dbraw/zinc/03/93/74/183039374.db2.gz GDJAENTVQXHHEP-UHFFFAOYSA-N 0 0 302.399 3.616 50 0 DHAARN O=C(NCCc1ccc(F)cc1)c1[nH]c2ccccc2c1Cl ZINC000040143512 183039387 /nfs/dbraw/zinc/03/93/87/183039387.db2.gz QADUCBIQWADHSE-UHFFFAOYSA-N 0 0 316.763 3.933 50 0 DHAARN CCc1nn2c(Cc3c(Cl)cccc3Cl)nnc2s1 ZINC000040285679 183051234 /nfs/dbraw/zinc/05/12/34/183051234.db2.gz LHIBPLACURAVRU-UHFFFAOYSA-N 0 0 313.213 3.646 50 0 DHAARN CCCc1nsc2nc(-c3ccccc3Cl)oc(=O)c12 ZINC000040464773 183071478 /nfs/dbraw/zinc/07/14/78/183071478.db2.gz HWVWGVMDEKDWEK-UHFFFAOYSA-N 0 0 306.774 3.917 50 0 DHAARN NN=c1[nH]c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000040478912 183076457 /nfs/dbraw/zinc/07/64/57/183076457.db2.gz PBHDSVVAYKXXTC-UHFFFAOYSA-N 0 0 316.817 3.861 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCSCc2csc(C)n2)o1 ZINC000040519975 183090111 /nfs/dbraw/zinc/09/01/11/183090111.db2.gz WBBPPJBMEDHBMT-LLVKDONJSA-N 0 0 324.471 3.854 50 0 DHAARN CCCS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000040566658 183103656 /nfs/dbraw/zinc/10/36/56/183103656.db2.gz XKXZHTAZHUFVDY-UHFFFAOYSA-N 0 0 303.594 3.765 50 0 DHAARN Cc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nnnn21 ZINC000102047423 193857150 /nfs/dbraw/zinc/85/71/50/193857150.db2.gz NBNVCBSRFIWXPU-MRXNPFEDSA-N 0 0 323.787 3.691 50 0 DHAARN Cc1c(Cl)ccc(S(=O)(=O)N2CCCC[C@H]2C)c1Cl ZINC000041096688 183165560 /nfs/dbraw/zinc/16/55/60/183165560.db2.gz GCLJNWOEFDDPQT-SECBINFHSA-N 0 0 322.257 3.865 50 0 DHAARN CN(Cc1cccs1)C(=O)COc1ccc(F)cc1Cl ZINC000041103756 183166024 /nfs/dbraw/zinc/16/60/24/183166024.db2.gz HGRRBYSXZSGLNI-UHFFFAOYSA-N 0 0 313.781 3.578 50 0 DHAARN CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)c2ccco2)n1 ZINC000041123373 183168212 /nfs/dbraw/zinc/16/82/12/183168212.db2.gz BQSARCMYWLPKSI-RYUDHWBXSA-N 0 0 303.362 3.544 50 0 DHAARN Cc1noc([C@@H]2CCCCN2C(=O)CCC2CCCCC2)n1 ZINC000041123292 183168337 /nfs/dbraw/zinc/16/83/37/183168337.db2.gz UBSHVTVDLDTSEG-HNNXBMFYSA-N 0 0 305.422 3.792 50 0 DHAARN Cc1nc(Nc2ccc(F)cc2)[nH]c(=O)c1Cc1ccccc1 ZINC000041595799 183207841 /nfs/dbraw/zinc/20/78/41/183207841.db2.gz HNGAHJAMUUZQIO-UHFFFAOYSA-N 0 0 309.344 3.552 50 0 DHAARN O=C(NCc1ccc(Br)cc1)c1ccccc1F ZINC000042335839 183255175 /nfs/dbraw/zinc/25/51/75/183255175.db2.gz UKGSVXFAJIEAEY-UHFFFAOYSA-N 0 0 308.150 3.518 50 0 DHAARN CCc1ccc(C(=O)NCc2cccc(Br)c2)cc1 ZINC000042353521 183257230 /nfs/dbraw/zinc/25/72/30/183257230.db2.gz IOBHCPHBYXUFJX-UHFFFAOYSA-N 0 0 318.214 3.942 50 0 DHAARN O=C(/C=C/c1cccc(-c2ccccc2)c1)Nc1nncs1 ZINC000042857525 183314029 /nfs/dbraw/zinc/31/40/29/183314029.db2.gz BPGCMVNGWQWYNK-MDZDMXLPSA-N 0 0 307.378 3.857 50 0 DHAARN CC(=O)Oc1ccc(C(=O)c2cccc(Br)c2)cc1 ZINC000043209924 183344149 /nfs/dbraw/zinc/34/41/49/183344149.db2.gz RTEQVISIZXTINW-UHFFFAOYSA-N 0 0 319.154 3.605 50 0 DHAARN O=C(NCCc1ccccn1)Nc1ccccc1SC(F)F ZINC000043552798 183370819 /nfs/dbraw/zinc/37/08/19/183370819.db2.gz AQTHTPXWQQSNOG-UHFFFAOYSA-N 0 0 323.368 3.761 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cccnc1 ZINC000043786190 183385648 /nfs/dbraw/zinc/38/56/48/183385648.db2.gz CEAIVUCGMXLIKS-DOMZBBRYSA-N 0 0 315.442 3.923 50 0 DHAARN COCCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000043724029 183384048 /nfs/dbraw/zinc/38/40/48/183384048.db2.gz HHCPOOVOMHUQID-ZDUSSCGKSA-N 0 0 322.430 3.569 50 0 DHAARN Cc1cc(NC(=O)N[C@H](c2cccs2)C2CCCC2)n(C)n1 ZINC000043432496 183362646 /nfs/dbraw/zinc/36/26/46/183362646.db2.gz JAXRNKIRSHZHOY-HNNXBMFYSA-N 0 0 318.446 3.843 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)sc1-c1nc(N)ncc1Cl ZINC000043790783 183386686 /nfs/dbraw/zinc/38/66/86/183386686.db2.gz GSQJELGNCBPNIB-UHFFFAOYSA-N 0 0 320.780 3.950 50 0 DHAARN CC(C)CC[C@@H](C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000043875124 183388573 /nfs/dbraw/zinc/38/85/73/183388573.db2.gz LHBZWLPDUZKIKB-CYBMUJFWSA-N 0 0 317.433 3.525 50 0 DHAARN CC(C)CC[C@@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 ZINC000044087406 183394275 /nfs/dbraw/zinc/39/42/75/183394275.db2.gz FMNNUHGMXLWGKV-GFCCVEGCSA-N 0 0 302.378 3.683 50 0 DHAARN C[C@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1cccs1 ZINC000044086975 183394317 /nfs/dbraw/zinc/39/43/17/183394317.db2.gz XGZAFFCHCPVGCT-JTQLQIEISA-N 0 0 314.370 3.681 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000044106476 183394706 /nfs/dbraw/zinc/39/47/06/183394706.db2.gz ICZCCWMCMNRIRH-WFASDCNBSA-N 0 0 303.406 3.735 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)NC2CCCCCC2)c1 ZINC000044106528 183395009 /nfs/dbraw/zinc/39/50/09/183395009.db2.gz GCGDCHQKUGFYDB-UHFFFAOYSA-N 0 0 303.406 3.879 50 0 DHAARN COc1cc(C(=O)c2ccccn2)ccc1OCc1ccccc1 ZINC000044125989 183395456 /nfs/dbraw/zinc/39/54/56/183395456.db2.gz ZKGQZJBBSBNLBO-UHFFFAOYSA-N 0 0 319.360 3.900 50 0 DHAARN C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)c1cccs1 ZINC000044866351 183443761 /nfs/dbraw/zinc/44/37/61/183443761.db2.gz AXAQHNNOBPMEGL-BCPZQOPPSA-N 0 0 309.394 3.582 50 0 DHAARN Cc1cnc(NC(=O)c2csc(NC3CCCC3)n2)s1 ZINC000044893680 183450095 /nfs/dbraw/zinc/45/00/95/183450095.db2.gz WPSISAGGWPCOFD-UHFFFAOYSA-N 0 0 308.432 3.515 50 0 DHAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3o2)[C@H]1C ZINC000102400876 193883748 /nfs/dbraw/zinc/88/37/48/193883748.db2.gz IXSIDIMNOWZTKU-AGIUHOORSA-N 0 0 318.442 3.861 50 0 DHAARN CN(CCc1ccccc1)C(=O)NCc1ccc(Cl)s1 ZINC000046996041 183577262 /nfs/dbraw/zinc/57/72/62/183577262.db2.gz GEOROUYWVSPCAJ-UHFFFAOYSA-N 0 0 308.834 3.786 50 0 DHAARN Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@H](C)c2cccnc2)c1 ZINC000048242119 183631349 /nfs/dbraw/zinc/63/13/49/183631349.db2.gz MTARYGDOUJFTKF-STQMWFEESA-N 0 0 318.804 3.688 50 0 DHAARN COc1ncccc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000048276689 183636780 /nfs/dbraw/zinc/63/67/80/183636780.db2.gz XTMJHEKSXFMNFE-ZDUSSCGKSA-N 0 0 303.387 3.521 50 0 DHAARN Cc1ccccc1C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000048935806 183697791 /nfs/dbraw/zinc/69/77/91/183697791.db2.gz KMURHURTUMYBLG-UHFFFAOYSA-N 0 0 323.440 3.700 50 0 DHAARN CSc1ccc(/C=C\C(=O)NCc2nc3ccccc3[nH]2)cc1 ZINC000051104926 183815086 /nfs/dbraw/zinc/81/50/86/183815086.db2.gz FIZAAFWVOQLNDX-FLIBITNWSA-N 0 0 323.421 3.614 50 0 DHAARN COc1ccc(CCC(=O)N2CCc3sccc3[C@H]2C)cc1 ZINC000052568042 183865484 /nfs/dbraw/zinc/86/54/84/183865484.db2.gz AUXIIOANTBYGOK-CYBMUJFWSA-N 0 0 315.438 3.835 50 0 DHAARN O=C(c1cc2ccccc2[nH]1)N1CCC(Oc2ccccc2)CC1 ZINC000052797988 183873943 /nfs/dbraw/zinc/87/39/43/183873943.db2.gz OAWJTKCOIYNFJB-UHFFFAOYSA-N 0 0 320.392 3.852 50 0 DHAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)COc1ccccc1C ZINC000055167295 183967573 /nfs/dbraw/zinc/96/75/73/183967573.db2.gz AKPONSGXCARPCF-MRXNPFEDSA-N 0 0 312.413 3.596 50 0 DHAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)Cc1nc(C)sc1C ZINC000055368786 183982581 /nfs/dbraw/zinc/98/25/81/183982581.db2.gz SPXVBUATXNHAEQ-GFCCVEGCSA-N 0 0 317.458 3.525 50 0 DHAARN Cc1ccc2nc(C)c(C(=O)N[C@H](C)Cc3ccncc3)cc2c1 ZINC000055370874 183982787 /nfs/dbraw/zinc/98/27/87/183982787.db2.gz BYCXLDCBCPDSBW-CQSZACIVSA-N 0 0 319.408 3.608 50 0 DHAARN 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CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(C)=O)c12 ZINC000002811765 563335823 /nfs/dbraw/zinc/33/58/23/563335823.db2.gz PVOTZBANMHRDQJ-ZDUSSCGKSA-N 0 0 302.370 3.800 50 0 biogenic DHAARN COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000007053939 563335896 /nfs/dbraw/zinc/33/58/96/563335896.db2.gz RHAVBZNBRHJUQL-UHFFFAOYSA-N 0 0 319.426 3.794 50 0 DHAARN Cc1nc2ccc(NC(=O)COc3cccc(C)c3)cc2s1 ZINC000002628331 563336639 /nfs/dbraw/zinc/33/66/39/563336639.db2.gz HLOPKTPDNWPIOU-UHFFFAOYSA-N 0 0 312.394 3.931 50 0 DHAARN CC(=O)Nc1cccc(C(=O)OCc2ccc(F)cc2Cl)c1 ZINC000010584929 563336643 /nfs/dbraw/zinc/33/66/43/563336643.db2.gz KJKDQLKGZPNIQL-UHFFFAOYSA-N 0 0 321.735 3.795 50 0 DHAARN CCc1nc2c(s1)[C@H](N(C)C(=O)c1[nH]c(C)cc1C)CCC2 ZINC000119045556 563337401 /nfs/dbraw/zinc/33/74/01/563337401.db2.gz OYPYIOFDPBGRND-CYBMUJFWSA-N 0 0 317.458 3.800 50 0 DHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1cccc(C)c1 ZINC000002713258 563338445 /nfs/dbraw/zinc/33/84/45/563338445.db2.gz QWCVRBPJZBVGQD-UHFFFAOYSA-N 0 0 320.396 3.753 50 0 DHAARN Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 ZINC000007403946 563338478 /nfs/dbraw/zinc/33/84/78/563338478.db2.gz SVOSKLNRZVZULL-UHFFFAOYSA-N 0 0 317.744 3.727 50 0 DHAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nccs1 ZINC000007401159 563338619 /nfs/dbraw/zinc/33/86/19/563338619.db2.gz CXQSNMPZVJAPIR-NSHDSACASA-N 0 0 304.415 3.847 50 0 DHAARN CC(C)Oc1cccc2c1CCN(Cc1ccccc1F)C2=O ZINC000002716479 563339647 /nfs/dbraw/zinc/33/96/47/563339647.db2.gz GCDNMLLVPJNFSS-UHFFFAOYSA-N 0 0 313.372 3.811 50 0 DHAARN O=C(Nc1cccc(Br)c1)c1c(F)cccc1F ZINC000007609624 563340139 /nfs/dbraw/zinc/34/01/39/563340139.db2.gz QHJIYYYDNYAQKE-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C)cc1 ZINC000007720197 563341177 /nfs/dbraw/zinc/34/11/77/563341177.db2.gz OHLNGVVKPWSYJV-UHFFFAOYSA-N 0 0 321.380 3.707 50 0 DHAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccco1 ZINC000002745567 563341446 /nfs/dbraw/zinc/34/14/46/563341446.db2.gz GYLAMJMWULNCSM-UHFFFAOYSA-N 0 0 307.371 3.641 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)c1cc2ccccc2oc1=O ZINC000002773035 563342134 /nfs/dbraw/zinc/34/21/34/563342134.db2.gz SKJOBAINQQNMIQ-CYBMUJFWSA-N 0 0 301.386 3.739 50 0 DHAARN COc1cc(C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000002797051 563342479 /nfs/dbraw/zinc/34/24/79/563342479.db2.gz KCPYWNGKUVYDTM-UHFFFAOYSA-N 0 0 307.296 3.857 50 0 DHAARN O=C(NCc1ccccn1)c1cc2c(s1)CCCCCC2 ZINC000008073157 563344134 /nfs/dbraw/zinc/34/41/34/563344134.db2.gz NNZPPWHKRKAVKL-UHFFFAOYSA-N 0 0 300.427 3.732 50 0 DHAARN Cc1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 ZINC000008328451 563346121 /nfs/dbraw/zinc/34/61/21/563346121.db2.gz XFMWUPVKOAHZLC-UHFFFAOYSA-N 0 0 311.366 3.891 50 0 DHAARN CCCCN(CCCC)Cn1nnn(-c2ccccc2)c1=S ZINC000003043467 563347339 /nfs/dbraw/zinc/34/73/39/563347339.db2.gz ZWSDDNGFBVYKTB-UHFFFAOYSA-N 0 0 319.478 3.658 50 0 DHAARN S=C1N=NC(c2cccc(Cl)c2)N1Cc1ccccc1 ZINC000008683634 563348752 /nfs/dbraw/zinc/34/87/52/563348752.db2.gz GTHBSEYUINBFPI-UHFFFAOYSA-N 0 0 301.802 3.936 50 0 DHAARN CCc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1ccccc1 ZINC000008715287 563349416 /nfs/dbraw/zinc/34/94/16/563349416.db2.gz WAJNPOUJSTYIFM-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN CCOC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000008729753 563350098 /nfs/dbraw/zinc/35/00/98/563350098.db2.gz HKPMEWPCXFJKTB-UHFFFAOYSA-N 0 0 315.316 3.935 50 0 DHAARN CCCSc1nnc(NC(=O)c2cccc(Cl)c2)s1 ZINC000008792846 563350406 /nfs/dbraw/zinc/35/04/06/563350406.db2.gz BDENZGQIHSOJNG-UHFFFAOYSA-N 0 0 313.835 3.946 50 0 DHAARN O=C1C[C@H](c2ccc(F)cc2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000009013521 563351605 /nfs/dbraw/zinc/35/16/05/563351605.db2.gz LYDHDQVSQMZCRZ-CQSZACIVSA-N 0 0 307.328 3.690 50 0 DHAARN CCCCCc1c(C)nc(Nc2ccc(OCC)cc2)[nH]c1=O ZINC000009090021 563352214 /nfs/dbraw/zinc/35/22/14/563352214.db2.gz JTRKWABRHNFNRF-UHFFFAOYSA-N 0 0 315.417 3.953 50 0 DHAARN COc1ccc(CNc2ncnc3ccc(C)cc32)cc1OC ZINC000032540864 563352879 /nfs/dbraw/zinc/35/28/79/563352879.db2.gz SMFBIPPLTAJQBN-UHFFFAOYSA-N 0 0 309.369 3.568 50 0 DHAARN CC(C)C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000009231675 563352894 /nfs/dbraw/zinc/35/28/94/563352894.db2.gz BJRJZAVRHWXWEA-UHFFFAOYSA-N 0 0 310.397 3.852 50 0 DHAARN CCc1nn2c(nnc(C(C)=O)c2C)c1-c1ccc(Cl)cc1 ZINC000009225409 563352993 /nfs/dbraw/zinc/35/29/93/563352993.db2.gz XTUXGOPMSGYKON-UHFFFAOYSA-N 0 0 314.776 3.518 50 0 DHAARN O=C(Nc1nnc(CSc2ccccc2)s1)c1ccco1 ZINC000009355786 563353787 /nfs/dbraw/zinc/35/37/87/563353787.db2.gz ZNPBHDHTQYAMGN-UHFFFAOYSA-N 0 0 317.395 3.676 50 0 DHAARN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000036620486 563354375 /nfs/dbraw/zinc/35/43/75/563354375.db2.gz PTQGPPPBIWJVHU-QGZVFWFLSA-N 0 0 319.401 3.660 50 0 DHAARN O=C(Nc1ccccc1)Nc1ccccc1OC[C@H]1CCCO1 ZINC000010155807 563355484 /nfs/dbraw/zinc/35/54/84/563355484.db2.gz CJYRJLIDYSZFNV-OAHLLOKOSA-N 0 0 312.369 3.888 50 0 DHAARN O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCCC1 ZINC000011774769 563358983 /nfs/dbraw/zinc/35/89/83/563358983.db2.gz UGEOVOIIBXPHNC-QGZVFWFLSA-N 0 0 323.392 3.560 50 0 DHAARN COc1cccc(CC[C@H]2CCCN(C(=O)C3CCC3)C2)c1 ZINC000011769844 563359103 /nfs/dbraw/zinc/35/91/03/563359103.db2.gz UZHROFPQMBDCRL-MRXNPFEDSA-N 0 0 301.430 3.667 50 0 DHAARN CC[C@@H](C)NC(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000011664127 563359174 /nfs/dbraw/zinc/35/91/74/563359174.db2.gz JNFXWJDQPSGWTL-SNVBAGLBSA-N 0 0 317.389 3.730 50 0 DHAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1-c1ccc(C)cc1 ZINC000011690267 563359183 /nfs/dbraw/zinc/35/91/83/563359183.db2.gz JTSUMJCRHVZIQK-UHFFFAOYSA-N 0 0 320.396 3.753 50 0 DHAARN CCOC(=O)c1cc(Cl)c(NC(=O)C(C)(C)C)cc1OC ZINC000011902736 563360310 /nfs/dbraw/zinc/36/03/10/563360310.db2.gz GUWQLPQXXFMJQP-UHFFFAOYSA-N 0 0 313.781 3.510 50 0 DHAARN COc1cccc(CN(C)Cc2nc(-c3ccoc3)oc2C)c1 ZINC000011998499 563360797 /nfs/dbraw/zinc/36/07/97/563360797.db2.gz FKOVTBQXOLSXBF-UHFFFAOYSA-N 0 0 312.369 3.884 50 0 DHAARN CCc1ccc(CN(C)Cc2nc(Cc3ccccc3)no2)cc1 ZINC000011948946 563360872 /nfs/dbraw/zinc/36/08/72/563360872.db2.gz GTEHBGDIFVBUGC-UHFFFAOYSA-N 0 0 321.424 3.855 50 0 DHAARN Cc1c([C@@H](C)NC(=O)CC2=CCCCC2)cnn1-c1ccccn1 ZINC000011937281 563361072 /nfs/dbraw/zinc/36/10/72/563361072.db2.gz ZQUOCRGTHRDXLN-CQSZACIVSA-N 0 0 324.428 3.643 50 0 DHAARN CCC(=O)Nc1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000012137943 563362630 /nfs/dbraw/zinc/36/26/30/563362630.db2.gz STDKCEOWGQXRQC-UHFFFAOYSA-N 0 0 303.745 3.908 50 0 DHAARN CCCCc1nc2cc(C(=O)NCCCOC(C)C)ccc2o1 ZINC000012209870 563364865 /nfs/dbraw/zinc/36/48/65/563364865.db2.gz GJQLQRZHZXMADO-UHFFFAOYSA-N 0 0 318.417 3.715 50 0 DHAARN Cc1c(-c2nnc(-c3ccc(C)cc3)o2)nnn1-c1ccccc1 ZINC000012274025 563365281 /nfs/dbraw/zinc/36/52/81/563365281.db2.gz SOMWNCHPVLZQKN-UHFFFAOYSA-N 0 0 317.352 3.601 50 0 DHAARN Cc1nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2nc1C ZINC000012372669 563367030 /nfs/dbraw/zinc/36/70/30/563367030.db2.gz UNJAHFAGBOEDHC-UHFFFAOYSA-N 0 0 320.396 3.565 50 0 DHAARN CC(C)Cn1c2ccccc2nc1[C@H](C)NC(=O)C(C)(C)C ZINC000012382416 563367831 /nfs/dbraw/zinc/36/78/31/563367831.db2.gz ATMFAJJJPQABEN-ZDUSSCGKSA-N 0 0 301.434 3.916 50 0 DHAARN COc1cccc([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000012383774 563368460 /nfs/dbraw/zinc/36/84/60/563368460.db2.gz URUHAAFCNKVAFH-LLVKDONJSA-N 0 0 321.779 3.908 50 0 DHAARN COCCNC(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000012432941 563369855 /nfs/dbraw/zinc/36/98/55/563369855.db2.gz BRTKSCRKKUSZHM-QGZVFWFLSA-N 0 0 317.816 3.625 50 0 DHAARN Cc1ccc([C@H]2C[C@H](c3ccccc3C)n3nc(N)nc3N2)cc1 ZINC000012469306 563370076 /nfs/dbraw/zinc/37/00/76/563370076.db2.gz ZVZGXJRCSKRLIN-IAGOWNOFSA-N 0 0 319.412 3.623 50 0 aggregator DHAARN Cc1ccc(-c2nc(CSc3nccc(N)n3)cs2)cc1 ZINC000012462044 563370097 /nfs/dbraw/zinc/37/00/97/563370097.db2.gz UGRBPFSDZYUSIP-UHFFFAOYSA-N 0 0 314.439 3.783 50 0 DHAARN COc1ccc(CCNC(=O)Nc2ccccc2Cl)cc1 ZINC000032579193 563370585 /nfs/dbraw/zinc/37/05/85/563370585.db2.gz KCFDGXYUHBRYHC-UHFFFAOYSA-N 0 0 304.777 3.713 50 0 DHAARN Cc1c2ccccc2oc1C(=O)Nc1ccnn1Cc1ccco1 ZINC000032594238 563370757 /nfs/dbraw/zinc/37/07/57/563370757.db2.gz LAMMRXYHRQMAKL-UHFFFAOYSA-N 0 0 321.336 3.831 50 0 DHAARN CN1C(=O)c2ccccc2N[C@H]1c1ccccc1OC(F)(F)F ZINC000012633081 563372318 /nfs/dbraw/zinc/37/23/18/563372318.db2.gz RSEZGNFRPDPDRN-CQSZACIVSA-N 0 0 322.286 3.782 50 0 DHAARN CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC000012793554 563373886 /nfs/dbraw/zinc/37/38/86/563373886.db2.gz FKIICZMBFHNEMS-CQSZACIVSA-N 0 0 315.344 3.745 50 0 DHAARN Cc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012797103 563374174 /nfs/dbraw/zinc/37/41/74/563374174.db2.gz UUBVAUQIGPZTPC-UHFFFAOYSA-N 0 0 317.392 3.922 50 0 DHAARN O=C(Cc1cccs1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000012798310 563374198 /nfs/dbraw/zinc/37/41/98/563374198.db2.gz XWQRPRFWXIQIMS-UHFFFAOYSA-N 0 0 323.801 3.744 50 0 DHAARN Cc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccccc3)ccc12 ZINC000012881437 563374880 /nfs/dbraw/zinc/37/48/80/563374880.db2.gz JSXXGLCXYDEDSH-ZDUSSCGKSA-N 0 0 323.348 3.507 50 0 DHAARN C[C@@H]1CCC[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)[C@@H]1C ZINC000012901037 563374882 /nfs/dbraw/zinc/37/48/82/563374882.db2.gz NIVFFJPVZVBVHH-LBTNJELSSA-N 0 0 319.470 3.718 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000032667880 563375536 /nfs/dbraw/zinc/37/55/36/563375536.db2.gz GKEYUFNPDDVGIS-BDJLRTHQSA-N 0 0 317.772 3.815 50 0 DHAARN Cc1ccc(-c2ncccc2CNC(=O)NC2CCCC2)cc1 ZINC000064755961 563375565 /nfs/dbraw/zinc/37/55/65/563375565.db2.gz JJANIKLMVCDDOC-UHFFFAOYSA-N 0 0 309.413 3.799 50 0 DHAARN O=C(CCc1ccco1)NCCOc1ccc2ccccc2c1 ZINC000012979020 563375752 /nfs/dbraw/zinc/37/57/52/563375752.db2.gz GXCVAVKODCXDSQ-UHFFFAOYSA-N 0 0 309.365 3.561 50 0 DHAARN Cc1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1C ZINC000012978534 563376277 /nfs/dbraw/zinc/37/62/77/563376277.db2.gz SBPVXPDHDJMYPO-UHFFFAOYSA-N 0 0 316.426 3.514 50 0 DHAARN COc1ccc(CNC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000012997279 563376507 /nfs/dbraw/zinc/37/65/07/563376507.db2.gz NBFLFKBWBCQIAD-GOSISDBHSA-N 0 0 310.397 3.646 50 0 DHAARN Cc1noc2nc(C3CC3)cc(C(=O)NC3CCCCCC3)c12 ZINC000013022745 563377327 /nfs/dbraw/zinc/37/73/27/563377327.db2.gz MEOPBLFXRHJZER-UHFFFAOYSA-N 0 0 313.401 3.861 50 0 DHAARN C[C@@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccc(F)cc1F ZINC000032696856 563377613 /nfs/dbraw/zinc/37/76/13/563377613.db2.gz DWHQIWGZVWZORD-OLZOCXBDSA-N 0 0 319.351 3.747 50 0 DHAARN C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)cc1 ZINC000013096117 563378249 /nfs/dbraw/zinc/37/82/49/563378249.db2.gz HLLANUPYTDGPMN-ZDUSSCGKSA-N 0 0 302.805 3.799 50 0 DHAARN Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)s1 ZINC000013325979 563380735 /nfs/dbraw/zinc/38/07/35/563380735.db2.gz KOESORTVCQCVKT-SNVBAGLBSA-N 0 0 310.806 3.819 50 0 DHAARN CCCc1cc(C(=O)OCC)c(NC(=O)c2ccncc2)s1 ZINC000013326844 563380807 /nfs/dbraw/zinc/38/08/07/563380807.db2.gz VBJYEFPMHRQZKW-UHFFFAOYSA-N 0 0 318.398 3.525 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(C)(C)C)on2)c(C)c1 ZINC000013331332 563381090 /nfs/dbraw/zinc/38/10/90/563381090.db2.gz YWKLVGKBLJBHQB-CYBMUJFWSA-N 0 0 316.401 3.995 50 0 DHAARN CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1C ZINC000013564527 563383383 /nfs/dbraw/zinc/38/33/83/563383383.db2.gz KXHOXSHOVDNEEU-UHFFFAOYSA-N 0 0 320.392 3.780 50 0 DHAARN CC[C@H](CNC(=O)c1ccc2nccnc2c1)c1ccccc1 ZINC000032722748 563384815 /nfs/dbraw/zinc/38/48/15/563384815.db2.gz MLNODTSWYNXYSZ-CQSZACIVSA-N 0 0 305.381 3.553 50 0 DHAARN CCOc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1 ZINC000013671932 563385368 /nfs/dbraw/zinc/38/53/68/563385368.db2.gz UOFODIDWFRXBNB-UHFFFAOYSA-N 0 0 323.439 3.608 50 0 DHAARN CSc1nnc2c3sc4c(c3nc(SC)n12)CCCC4 ZINC000013681790 563385658 /nfs/dbraw/zinc/38/56/58/563385658.db2.gz UFAJJGLTCUTQJB-UHFFFAOYSA-N 0 0 322.484 3.662 50 0 DHAARN Cc1cc(NC(=O)CSc2ccccc2)n(-c2ccccc2)n1 ZINC000013701191 563386185 /nfs/dbraw/zinc/38/61/85/563386185.db2.gz WLVSOQDAHYCTOT-UHFFFAOYSA-N 0 0 323.421 3.912 50 0 DHAARN CCCNC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1 ZINC000065029716 563390164 /nfs/dbraw/zinc/39/01/64/563390164.db2.gz JTYJHYJRNXSKIA-UHFFFAOYSA-N 0 0 316.380 3.506 50 0 DHAARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@H]1CC=CCC1 ZINC000032776642 563391457 /nfs/dbraw/zinc/39/14/57/563391457.db2.gz XGPQOWHPUHBKNG-WMLDXEAASA-N 0 0 301.386 3.539 50 0 DHAARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CC=CCC1 ZINC000032776644 563391645 /nfs/dbraw/zinc/39/16/45/563391645.db2.gz XGPQOWHPUHBKNG-RHSMWYFYSA-N 0 0 301.386 3.539 50 0 DHAARN Cc1noc(C)c1C(=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219507836 563392682 /nfs/dbraw/zinc/39/26/82/563392682.db2.gz SMWRVHQIURHREZ-ZDUSSCGKSA-N 0 0 322.455 3.673 50 0 DHAARN Cc1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn12 ZINC000013945093 563393406 /nfs/dbraw/zinc/39/34/06/563393406.db2.gz PMVFDSVKMUCAMX-UHFFFAOYSA-N 0 0 320.421 3.849 50 0 DHAARN CC(=O)Nc1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000014015677 563393853 /nfs/dbraw/zinc/39/38/53/563393853.db2.gz DHLXKGVXYAYNRA-UHFFFAOYSA-N 0 0 317.414 3.651 50 0 DHAARN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1cccs1 ZINC000014043444 563394757 /nfs/dbraw/zinc/39/47/57/563394757.db2.gz HTANIDIBHZHREU-VIFPVBQESA-N 0 0 320.439 3.649 50 0 DHAARN O=C(NC1CC1)[C@@H](Oc1ccccc1Cl)c1ccc(F)cc1 ZINC000014073055 563394893 /nfs/dbraw/zinc/39/48/93/563394893.db2.gz AKCIQDWRSALMQM-INIZCTEOSA-N 0 0 319.763 3.878 50 0 DHAARN CCNC(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000014114017 563396221 /nfs/dbraw/zinc/39/62/21/563396221.db2.gz KRCPGJQAIASULU-UHFFFAOYSA-N 0 0 322.408 3.912 50 0 DHAARN CCCN(Cc1ccc(C)cc1)C(=O)c1cnc2ccccc2n1 ZINC000014163022 563396983 /nfs/dbraw/zinc/39/69/83/563396983.db2.gz SCNJDUAGDREYHW-UHFFFAOYSA-N 0 0 319.408 3.991 50 0 DHAARN Cc1cc(CS[C@H](C)C(=O)Nc2ccc(C)c(F)c2)on1 ZINC000014196958 563397442 /nfs/dbraw/zinc/39/74/42/563397442.db2.gz VCQIRZDEMSQEFP-LLVKDONJSA-N 0 0 308.378 3.691 50 0 DHAARN Oc1ccc(-c2csc(NCCc3ccccc3)n2)c(O)c1 ZINC000014184492 563397806 /nfs/dbraw/zinc/39/78/06/563397806.db2.gz BHIFXJINYNKVFO-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN Cc1cc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2[nH]1 ZINC000032818541 563398192 /nfs/dbraw/zinc/39/81/92/563398192.db2.gz ONRHVOLLPUWCIC-UHFFFAOYSA-N 0 0 318.332 3.835 50 0 DHAARN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000032818342 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COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cccc(Cl)c1 ZINC000000181957 563576133 /nfs/dbraw/zinc/57/61/33/563576133.db2.gz PJZAVYMQTBQPOA-OAHLLOKOSA-N 0 0 319.744 3.638 50 0 DHAARN CC(C)(C)n1nc2c(c1NC(=O)Cc1ccccc1)CSC2 ZINC000000189407 563576724 /nfs/dbraw/zinc/57/67/24/563576724.db2.gz YDKUFDGAUHDASR-UHFFFAOYSA-N 0 0 315.442 3.566 50 0 DHAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)CS2 ZINC000000217049 563578692 /nfs/dbraw/zinc/57/86/92/563578692.db2.gz IQIGDWVINGKVER-UHFFFAOYSA-N 0 0 318.442 3.574 50 0 DHAARN CC[C@H](C)NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000000261135 563582828 /nfs/dbraw/zinc/58/28/28/563582828.db2.gz SUOGZNAGMQJJKZ-ZDUSSCGKSA-N 0 0 305.381 3.825 50 0 DHAARN COc1ccc(NC(=S)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000000263681 563583459 /nfs/dbraw/zinc/58/34/59/563583459.db2.gz UTJRNXVQLGTFRR-HNNXBMFYSA-N 0 0 312.438 3.882 50 0 DHAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCCn1cccn1 ZINC000050310724 563584156 /nfs/dbraw/zinc/58/41/56/563584156.db2.gz JTPKWSUKJOQMEL-CQSZACIVSA-N 0 0 311.385 3.629 50 0 DHAARN CCOC(=O)c1ccc(Nc2nnc(C)c3ccccc32)cc1 ZINC000000274080 563584177 /nfs/dbraw/zinc/58/41/77/563584177.db2.gz FQQVNCVKUHJUFM-UHFFFAOYSA-N 0 0 307.353 3.859 50 0 DHAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccccc1Cl ZINC000000288023 563584700 /nfs/dbraw/zinc/58/47/00/563584700.db2.gz VEERMTYTFQOMPI-NTEUORMPSA-N 0 0 301.704 3.824 50 0 DHAARN Cc1cc(C)n(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)n1 ZINC000000299979 563585401 /nfs/dbraw/zinc/58/54/01/563585401.db2.gz OSGNIFQLEICTRY-UHFFFAOYSA-N 0 0 318.302 3.965 50 0 DHAARN CCc1cc(=O)oc2c(C)c(OC(=O)c3ccccc3)ccc12 ZINC000000307343 563587680 /nfs/dbraw/zinc/58/76/80/563587680.db2.gz UZMIPJNEHMWPEZ-UHFFFAOYSA-N 0 0 308.333 3.883 50 0 DHAARN Fc1ccc(NCc2nc(-c3cccs3)n[nH]2)c(Cl)c1 ZINC000158632579 563589035 /nfs/dbraw/zinc/58/90/35/563589035.db2.gz FEYJXGXDLAWMLV-UHFFFAOYSA-N 0 0 308.769 3.938 50 0 DHAARN CC1=CC[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C1 ZINC000100292232 563591841 /nfs/dbraw/zinc/59/18/41/563591841.db2.gz GMKLHNRYWLFCTM-STQMWFEESA-N 0 0 309.287 3.551 50 0 DHAARN Cc1sc2nnn(Cc3cccc4ccccc43)c(=O)c2c1C ZINC000005009911 563595756 /nfs/dbraw/zinc/59/57/56/563595756.db2.gz HNKRBYMCACTUSD-UHFFFAOYSA-N 0 0 321.405 3.671 50 0 DHAARN Cc1ccc(-c2nc(C(=O)N(C)c3ccccc3)cs2)n1C ZINC000121514942 563596399 /nfs/dbraw/zinc/59/63/99/563596399.db2.gz UMJJIAHQBMJPMM-UHFFFAOYSA-N 0 0 311.410 3.734 50 0 DHAARN CC(C)Cc1nc2cc(NC(=O)[C@H](C)n3cccc3)ccc2[nH]1 ZINC000409413097 563597315 /nfs/dbraw/zinc/59/73/15/563597315.db2.gz CCNLUVYQRKNQBN-ZDUSSCGKSA-N 0 0 310.401 3.763 50 0 DHAARN CN1c2ccc(NC(=O)CCCc3ccccc3)cc2CCC1=O ZINC000038706661 563598556 /nfs/dbraw/zinc/59/85/56/563598556.db2.gz OMJRIFLARLNIMX-UHFFFAOYSA-N 0 0 322.408 3.557 50 0 DHAARN Cc1cc(S[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)ncn1 ZINC000012016782 563603635 /nfs/dbraw/zinc/60/36/35/563603635.db2.gz SZQQQWAFTYYUFZ-LLVKDONJSA-N 0 0 321.833 3.866 50 0 DHAARN CCc1cccc(CC)c1NC(=O)CSc1cc(C)ncn1 ZINC000012016824 563603722 /nfs/dbraw/zinc/60/37/22/563603722.db2.gz LOPZQGAQJREBIZ-UHFFFAOYSA-N 0 0 315.442 3.641 50 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Cc1ccc2c(ccn2CC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000075233541 563617003 /nfs/dbraw/zinc/61/70/03/563617003.db2.gz MBTGKAUXRUSSLT-UHFFFAOYSA-N 0 0 314.414 3.563 50 0 DHAARN C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)c1ccccn1 ZINC000080056428 563617892 /nfs/dbraw/zinc/61/78/92/563617892.db2.gz MQQVRGMUKWPKQZ-AWEZNQCLSA-N 0 0 319.474 3.604 50 0 DHAARN CS[C@@H]1CC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000080847687 563618019 /nfs/dbraw/zinc/61/80/19/563618019.db2.gz HYCMOAINJBBGBA-MWLCHTKSSA-N 0 0 303.880 3.734 50 0 DHAARN CCCCc1ccc(NC(=O)N[C@H](C(=O)OC)[C@H](C)CC)cc1 ZINC000002427399 563619515 /nfs/dbraw/zinc/61/95/15/563619515.db2.gz OLWQMVUFFXZNHI-CJNGLKHVSA-N 0 0 320.433 3.738 50 0 DHAARN Cc1ccccc1C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000005441598 563621679 /nfs/dbraw/zinc/62/16/79/563621679.db2.gz NEDYDWLMTXCFMX-UHFFFAOYSA-N 0 0 308.381 3.764 50 0 DHAARN CC(=O)Nc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 ZINC000002627808 563621697 /nfs/dbraw/zinc/62/16/97/563621697.db2.gz GFPZSDFMCXPLBN-UHFFFAOYSA-N 0 0 321.735 3.795 50 0 DHAARN COc1cc(OC)cc(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC000005458634 563622207 /nfs/dbraw/zinc/62/22/07/563622207.db2.gz XOPRSAXFWKVCLT-UHFFFAOYSA-N 0 0 319.788 3.629 50 0 DHAARN Cc1ccc2c(c1)c1ncnc(N3C[C@H](C)C[C@@H](C)C3)c1n2C ZINC000005516083 563622988 /nfs/dbraw/zinc/62/29/88/563622988.db2.gz KDEYWEUFWXMZLK-ZIAGYGMSSA-N 0 0 308.429 3.912 50 0 DHAARN COc1ccccc1N1CCN(c2ccc3ccccc3n2)CC1 ZINC000005570262 563623750 /nfs/dbraw/zinc/62/37/50/563623750.db2.gz JCTSLWVNRLJSRO-UHFFFAOYSA-N 0 0 319.408 3.570 50 0 DHAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000007377521 563625733 /nfs/dbraw/zinc/62/57/33/563625733.db2.gz BKBDTSAMMFCMSB-SNVBAGLBSA-N 0 0 301.217 3.806 50 0 DHAARN O=C(c1ccsc1)N(CCc1cccs1)C1CCOCC1 ZINC000206676658 563626182 /nfs/dbraw/zinc/62/61/82/563626182.db2.gz BHHZAYHLBIBADI-UHFFFAOYSA-N 0 0 321.467 3.674 50 0 DHAARN O=C(NC[C@H](O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000000152414 563628115 /nfs/dbraw/zinc/62/81/15/563628115.db2.gz NQFOQVQVGDWHMS-AWEZNQCLSA-N 0 0 324.302 3.561 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 ZINC000000184173 563628444 /nfs/dbraw/zinc/62/84/44/563628444.db2.gz MTKGRHDWHPWFCR-KRWDZBQOSA-N 0 0 311.381 3.996 50 0 DHAARN Cc1nc2cc(NC(=O)N3c4ccccc4C[C@H]3C)ccc2n1C ZINC000000470906 563630851 /nfs/dbraw/zinc/63/08/51/563630851.db2.gz ODRIGTGKRVZVTD-GFCCVEGCSA-N 0 0 320.396 3.865 50 0 DHAARN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1 ZINC000000610181 563631871 /nfs/dbraw/zinc/63/18/71/563631871.db2.gz YUJHAGMKKURSSX-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN O=C(Nc1cccc(F)c1)c1ccc(Br)s1 ZINC000001056064 563632916 /nfs/dbraw/zinc/63/29/16/563632916.db2.gz IMZRUHZOKVLDAW-UHFFFAOYSA-N 0 0 300.152 3.902 50 0 DHAARN CCc1cnc(CN(C)C(=O)c2ccc(Cl)s2)s1 ZINC000175876262 563634292 /nfs/dbraw/zinc/63/42/92/563634292.db2.gz HQXCYZKRUOOGNA-UHFFFAOYSA-N 0 0 300.836 3.693 50 0 DHAARN O=C(c1ccno1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206876014 563639692 /nfs/dbraw/zinc/63/96/92/563639692.db2.gz YOXHNKTUAKHWIY-CYBMUJFWSA-N 0 0 304.777 3.738 50 0 DHAARN Cc1cccn2cc(-c3ccccc3NC(=O)c3ccno3)nc12 ZINC000206901081 563639781 /nfs/dbraw/zinc/63/97/81/563639781.db2.gz HXOCKDCEICGJEF-UHFFFAOYSA-N 0 0 318.336 3.550 50 0 DHAARN CC(C)(C)n1cc(C(=O)N2CCC(c3ccccc3)CC2)cn1 ZINC000051065658 563645475 /nfs/dbraw/zinc/64/54/75/563645475.db2.gz CYTDMNKHUKEHDH-UHFFFAOYSA-N 0 0 311.429 3.658 50 0 DHAARN COc1ccc(CCCC(=O)N2CCc3ccccc3C2)cc1C ZINC000009615103 563646089 /nfs/dbraw/zinc/64/60/89/563646089.db2.gz UQIHNYUMWVQESA-UHFFFAOYSA-N 0 0 323.436 3.911 50 0 DHAARN Cc1nn(C(=S)NC2CCCCC2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000486928 563647314 /nfs/dbraw/zinc/64/73/14/563647314.db2.gz KRDBHIPSZWLZKN-IUODEOHRSA-N 0 0 303.475 3.543 50 0 biogenic DHAARN CC(C)N1C(=O)N(c2ccc(Cl)cc2)[C@](C)(O)CC1(C)C ZINC000000494793 563650965 /nfs/dbraw/zinc/65/09/65/563650965.db2.gz PCPQLMSPFDUHGV-MRXNPFEDSA-N 0 0 310.825 3.868 50 0 DHAARN CCOc1nc(C)ccc1-c1noc(-c2ccccc2OC)n1 ZINC000000498724 563651362 /nfs/dbraw/zinc/65/13/62/563651362.db2.gz KHQRPUXFBUIVRP-UHFFFAOYSA-N 0 0 311.341 3.514 50 0 DHAARN COc1cc(C(=O)N[C@@H](C)C2CC2)cc(Cl)c1OC(C)C ZINC000018207407 563653132 /nfs/dbraw/zinc/65/31/32/563653132.db2.gz YBXWOXKKCHBWRN-JTQLQIEISA-N 0 0 311.809 3.664 50 0 DHAARN O[C@@H](CN1CC=C(c2ccccc2)CC1)c1c(F)cccc1F ZINC000051112470 563653373 /nfs/dbraw/zinc/65/33/73/563653373.db2.gz GBHPGXPHFGQAAI-SFHVURJKSA-N 0 0 315.363 3.788 50 0 DHAARN O=C1Nc2ccccc2[C@H]1Cc1ccccc1OC(F)(F)F ZINC000101658923 563656660 /nfs/dbraw/zinc/65/66/60/563656660.db2.gz MIUHUZKJYJKHTQ-GFCCVEGCSA-N 0 0 307.271 3.864 50 0 DHAARN COc1ccc(OC)c(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c1 ZINC000101655236 563656662 /nfs/dbraw/zinc/65/66/62/563656662.db2.gz KPXMBXDBBYRIJD-AWEZNQCLSA-N 0 0 317.772 3.636 50 0 DHAARN Cc1ccc(N2C(=O)C[C@@H]([C@H](C)c3ccccc3)C2=O)cc1C ZINC000101984465 563658215 /nfs/dbraw/zinc/65/82/15/563658215.db2.gz DYOCAVFNXZPCON-QAPCUYQASA-N 0 0 307.393 3.987 50 0 DHAARN Cc1ccc(N2N3C(=O)O[C@]4(C)CC[C@H](C2(C)C)[C@]34C)cc1 ZINC000102049703 563658342 /nfs/dbraw/zinc/65/83/42/563658342.db2.gz 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563731284 /nfs/dbraw/zinc/73/12/84/563731284.db2.gz KCMKMBBRLHRCEC-UHFFFAOYSA-N 0 0 310.300 3.525 50 0 DHAARN O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCc1coc(-c2ccccc2)n1 ZINC000223093468 563731324 /nfs/dbraw/zinc/73/13/24/563731324.db2.gz ZHPXILDJRBCMEK-KBMXLJTQSA-N 0 0 308.381 3.560 50 0 DHAARN COc1cc(NC(=O)c2cc3ccccc3cc2O)cc(OC)c1 ZINC000026531890 563734596 /nfs/dbraw/zinc/73/45/96/563734596.db2.gz JEDKTEQHZLQIMT-UHFFFAOYSA-N 0 0 323.348 3.815 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)cc1C ZINC000027134462 563738022 /nfs/dbraw/zinc/73/80/22/563738022.db2.gz NXNUNTBCTJCGTI-CVEARBPZSA-N 0 0 304.478 3.847 50 0 DHAARN C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000225438279 563755215 /nfs/dbraw/zinc/75/52/15/563755215.db2.gz GQKQDQBNWGKTSD-MCIONIFRSA-N 0 0 319.449 3.696 50 0 DHAARN Cc1ccccc1-c1cc(NC(=O)c2ccoc2Cl)n[nH]1 ZINC000225497165 563757478 /nfs/dbraw/zinc/75/74/78/563757478.db2.gz HVSOYVQCEGHFEM-UHFFFAOYSA-N 0 0 301.733 3.884 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccnc1 ZINC000029296625 563759197 /nfs/dbraw/zinc/75/91/97/563759197.db2.gz LCDGOQIEAMDALC-IBGZPJMESA-N 0 0 319.408 3.859 50 0 DHAARN Cn1c(-c2ccccc2)nnc1N(Cc1ccccc1F)C1CC1 ZINC000225686998 563759458 /nfs/dbraw/zinc/75/94/58/563759458.db2.gz AVHWVIPCVNIZFJ-UHFFFAOYSA-N 0 0 322.387 3.790 50 0 DHAARN C[C@H]1CCC[C@H](C(=O)Nc2c[nH]nc2-c2ccccc2F)C1 ZINC000225746712 563761969 /nfs/dbraw/zinc/76/19/69/563761969.db2.gz CHOFGFJSKMKTLN-RYUDHWBXSA-N 0 0 301.365 3.981 50 0 DHAARN FC(F)c1ncn(Cc2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000225825299 563764310 /nfs/dbraw/zinc/76/43/10/563764310.db2.gz NDHJEYIWGGWSIA-UHFFFAOYSA-N 0 0 310.691 3.572 50 0 DHAARN O=C(Cc1ccc(OCC(F)(F)F)cc1)OC1CCCC1 ZINC000096007213 563773543 /nfs/dbraw/zinc/77/35/43/563773543.db2.gz LZIBAYXUERGFSN-UHFFFAOYSA-N 0 0 302.292 3.656 50 0 DHAARN C[C@H]1NC(=O)O[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098090135 563775137 /nfs/dbraw/zinc/77/51/37/563775137.db2.gz OHIDCVTXTYVGRO-ANLVUFKYSA-N 0 0 313.197 3.894 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314.335 3.740 50 0 DHAARN O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000012557516 563801033 /nfs/dbraw/zinc/80/10/33/563801033.db2.gz WTBBMUCCWLDGKY-GOSISDBHSA-N 0 0 303.365 3.993 50 0 DHAARN CCOC(=O)c1sc2[nH]c(-c3ccccc3)cc(=O)c2c1C ZINC000012555559 563801257 /nfs/dbraw/zinc/80/12/57/563801257.db2.gz UQRGNMBQOYDPAY-UHFFFAOYSA-N 0 0 313.378 3.742 50 0 DHAARN O=C(NCCCn1cnc2ccccc21)c1cccc(Cl)c1 ZINC000012559665 563802174 /nfs/dbraw/zinc/80/21/74/563802174.db2.gz GKUSAZCHARPNIX-UHFFFAOYSA-N 0 0 313.788 3.510 50 0 DHAARN CCc1nc2ccccc2n1C[C@H](O)COc1cc(C)ccc1C ZINC000012602777 563802915 /nfs/dbraw/zinc/80/29/15/563802915.db2.gz SCJMXLHRYOCAAS-INIZCTEOSA-N 0 0 324.424 3.655 50 0 DHAARN O=C(NC[C@H]1CCCOC1)c1cccc(-c2ccsc2)c1 ZINC000299764315 563804984 /nfs/dbraw/zinc/80/49/84/563804984.db2.gz RMWRHQDYPWCMFM-CYBMUJFWSA-N 0 0 301.411 3.572 50 0 DHAARN CSc1ccccc1NC(=O)N(C)CCC[C@@H]1CCCO1 ZINC000299780273 563805575 /nfs/dbraw/zinc/80/55/75/563805575.db2.gz SECCPOLWSOGEMB-CYBMUJFWSA-N 0 0 308.447 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/nfs/dbraw/zinc/85/32/95/563853295.db2.gz OESKCPSFZDGEGN-AWEZNQCLSA-N 0 0 322.412 3.812 50 0 DHAARN CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cccs2)cc1 ZINC000012904635 563853431 /nfs/dbraw/zinc/85/34/31/563853431.db2.gz GYBCNCONPPRHPF-YPMHNXCESA-N 0 0 317.410 3.595 50 0 DHAARN Oc1ccc(C2=CCN(c3ncnc4ccccc43)CC2)cc1 ZINC000012929888 563854750 /nfs/dbraw/zinc/85/47/50/563854750.db2.gz HXJPFEGUSHKCFS-UHFFFAOYSA-N 0 0 303.365 3.629 50 0 DHAARN C[C@H](c1cccnc1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 ZINC000074564858 563855128 /nfs/dbraw/zinc/85/51/28/563855128.db2.gz NCTGZQHMRPCRKN-GFCCVEGCSA-N 0 0 323.352 3.695 50 0 DHAARN CC(=O)Nc1nc(CNc2cc(F)c(F)cc2Cl)cs1 ZINC000075092090 563858984 /nfs/dbraw/zinc/85/89/84/563858984.db2.gz MRZLEFUTOBVTET-UHFFFAOYSA-N 0 0 317.748 3.645 50 0 DHAARN O=C(Nc1ccc(Br)cc1F)N1C[C@H]2CCC[C@H]21 ZINC000075110193 563860037 /nfs/dbraw/zinc/86/00/37/563860037.db2.gz NXFNZAGHQTVHKC-PRHODGIISA-N 0 0 313.170 3.604 50 0 DHAARN CO[C@H](C)c1nc(COc2cc(C)ccc2C(C)=O)cs1 ZINC000075092181 563859316 /nfs/dbraw/zinc/85/93/16/563859316.db2.gz OYBLNENHIWGJIB-GFCCVEGCSA-N 0 0 305.399 3.941 50 0 DHAARN CC1(C)CCC[C@H]1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000075105493 563859845 /nfs/dbraw/zinc/85/98/45/563859845.db2.gz RNFHVDPZEWFFKE-CQSZACIVSA-N 0 0 323.820 3.810 50 0 DHAARN CN(C(=O)c1cccc(Nc2cnccn2)c1)c1ccc(F)cc1 ZINC000075143267 563860807 /nfs/dbraw/zinc/86/08/07/563860807.db2.gz DJTSUPZBONYCNH-UHFFFAOYSA-N 0 0 322.343 3.636 50 0 DHAARN O=C(c1ccccc1F)N(c1cccc(F)c1)C1CCOCC1 ZINC000075144270 563861041 /nfs/dbraw/zinc/86/10/41/563861041.db2.gz JZAWGHFHNWMUPI-UHFFFAOYSA-N 0 0 317.335 3.791 50 0 DHAARN O=C(COc1ccccc1F)N1CCC(c2cccs2)CC1 ZINC000075157030 563861094 /nfs/dbraw/zinc/86/10/94/563861094.db2.gz WQGJFJALKLZKTM-UHFFFAOYSA-N 0 0 319.401 3.672 50 0 DHAARN CN(C)c1cccc(C(=O)N2CCC(c3cccs3)CC2)c1 ZINC000075157023 563861298 /nfs/dbraw/zinc/86/12/98/563861298.db2.gz IEZLHKGLYFOYJX-UHFFFAOYSA-N 0 0 314.454 3.834 50 0 DHAARN O=C(CSc1nnc2ccccn21)c1cccc2ccccc21 ZINC000075278644 563862429 /nfs/dbraw/zinc/86/24/29/563862429.db2.gz QMAYRAPPLQDZJY-UHFFFAOYSA-N 0 0 319.389 3.858 50 0 DHAARN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccco2)o1 ZINC000575607740 563865258 /nfs/dbraw/zinc/86/52/58/563865258.db2.gz CAEORVPDQSTLJN-CYBMUJFWSA-N 0 0 311.337 3.623 50 0 DHAARN Cc1ccccc1NC(=O)NCC[C@H](CCO)c1ccsc1 ZINC000575608753 563865357 /nfs/dbraw/zinc/86/53/57/563865357.db2.gz YATWKTFXKHIUJR-CQSZACIVSA-N 0 0 318.442 3.734 50 0 DHAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)c1ccc[nH]1 ZINC000035355457 563866672 /nfs/dbraw/zinc/86/66/72/563866672.db2.gz NLWLGFODQDNBTP-IBGZPJMESA-N 0 0 322.433 3.907 50 0 DHAARN CCOC(=O)c1nc2ccccc2nc1NC1CCC(C)CC1 ZINC000035479383 563867696 /nfs/dbraw/zinc/86/76/96/563867696.db2.gz NNTXVUVNSRRNPZ-UHFFFAOYSA-N 0 0 313.401 3.797 50 0 DHAARN O=C(NCc1cncc(C2CC2)c1)Nc1nc(C2CC2)cs1 ZINC000575620093 563867700 /nfs/dbraw/zinc/86/77/00/563867700.db2.gz KKQNTKDHVCKLHH-UHFFFAOYSA-N 0 0 314.414 3.615 50 0 DHAARN O=C(NC1CC1)c1cc2occc2n1Cc1ccccc1Cl ZINC000035475365 563867773 /nfs/dbraw/zinc/86/77/73/563867773.db2.gz IBVXQYUNLZLFDM-UHFFFAOYSA-N 0 0 314.772 3.828 50 0 DHAARN Cc1ccccc1C(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575622157 563868276 /nfs/dbraw/zinc/86/82/76/563868276.db2.gz WTTNKUMVJAIICW-QGZVFWFLSA-N 0 0 322.408 3.774 50 0 DHAARN Cc1cccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000024691123 563871032 /nfs/dbraw/zinc/87/10/32/563871032.db2.gz NKZXCPGDWXYISH-INIZCTEOSA-N 0 0 309.413 3.643 50 0 DHAARN COc1ccc(NC(C)=O)cc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000121999151 563871567 /nfs/dbraw/zinc/87/15/67/563871567.db2.gz AXROLBMBGGDVQS-IAQYHMDHSA-N 0 0 314.385 3.982 50 0 DHAARN Cc1cc(C)c(NC(=O)c2cc(-c3cccnc3)[nH]n2)c(C)c1 ZINC000075441562 563871701 /nfs/dbraw/zinc/87/17/01/563871701.db2.gz NLHURANMIWEVEB-UHFFFAOYSA-N 0 0 306.369 3.649 50 0 DHAARN CCc1nc(-c2cccc(NC(=O)c3ccc(OC)cc3)c2)no1 ZINC000035539626 563872153 /nfs/dbraw/zinc/87/21/53/563872153.db2.gz MVKYYFFMUGEJFK-UHFFFAOYSA-N 0 0 323.352 3.560 50 0 DHAARN COc1ccccc1NC(=O)c1c(C)noc1-c1ccccc1 ZINC000035671409 563873881 /nfs/dbraw/zinc/87/38/81/563873881.db2.gz IHBKXCHGGYVNHZ-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN CCc1c(C)sc2[nH]c(Cc3c[nH]c4ccccc34)nc(=O)c12 ZINC000053843379 563874533 /nfs/dbraw/zinc/87/45/33/563874533.db2.gz RPIMNARMOHZHNL-UHFFFAOYSA-N 0 0 323.421 3.928 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000013001208 563874935 /nfs/dbraw/zinc/87/49/35/563874935.db2.gz XFLDSDQWSAHALH-OAHLLOKOSA-N 0 0 322.408 3.603 50 0 DHAARN Cc1ccccc1[C@H](C)NC(=O)NCCc1ccccc1F ZINC000013009498 563875611 /nfs/dbraw/zinc/87/56/11/563875611.db2.gz DBOCZMSWDPENBT-AWEZNQCLSA-N 0 0 300.377 3.737 50 0 DHAARN CC(C)CNC(=O)CCc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000075478982 563876083 /nfs/dbraw/zinc/87/60/83/563876083.db2.gz PQIFJQLDKJTVDT-UHFFFAOYSA-N 0 0 321.424 3.935 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ncccc23)c(C)c1 ZINC000075495312 563877071 /nfs/dbraw/zinc/87/70/71/563877071.db2.gz XHQUIZZWWRTGIV-AWEZNQCLSA-N 0 0 307.397 3.600 50 0 DHAARN O=C(NCc1ccccc1F)c1ccc(-c2cccs2)nc1 ZINC000075502221 563877383 /nfs/dbraw/zinc/87/73/83/563877383.db2.gz XWBWTRBPIUBUKB-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN Cc1nc(Br)ccc1NC(=O)c1ccc(F)cc1 ZINC000091099744 563878227 /nfs/dbraw/zinc/87/82/27/563878227.db2.gz OKFQFKKJBCEFHL-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN OCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21 ZINC000001792988 563878524 /nfs/dbraw/zinc/87/85/24/563878524.db2.gz ZNQPBWPWNXLKKI-UHFFFAOYSA-N 0 0 318.380 3.721 50 0 DHAARN O=C(Nc1cc(F)ccc1F)N[C@H]1CCOc2ccccc21 ZINC000053961607 563879276 /nfs/dbraw/zinc/87/92/76/563879276.db2.gz IGIMEEKKWDMBDZ-ZDUSSCGKSA-N 0 0 304.296 3.610 50 0 DHAARN CC(C)c1ocnc1CSc1nccn1Cc1ccccn1 ZINC000092263937 563881982 /nfs/dbraw/zinc/88/19/82/563881982.db2.gz LJBSVENUOIOQKR-UHFFFAOYSA-N 0 0 314.414 3.730 50 0 DHAARN O=C(NCCc1ccc(O)cc1)Nc1cccc2ccccc21 ZINC000054040828 563882599 /nfs/dbraw/zinc/88/25/99/563882599.db2.gz RZWBQSRTKIKPDA-UHFFFAOYSA-N 0 0 306.365 3.910 50 0 DHAARN CCc1cccc(N2C(=O)C(=Cc3ccccc3)NC2=S)c1 ZINC000105556944 563883573 /nfs/dbraw/zinc/88/35/73/563883573.db2.gz QAYTWHYUTGALIK-VBKFSLOCSA-N 0 0 308.406 3.511 50 0 DHAARN Cc1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)on1 ZINC000191943661 563883850 /nfs/dbraw/zinc/88/38/50/563883850.db2.gz NBYRQPWEASARGP-UHFFFAOYSA-N 0 0 312.291 3.578 50 0 DHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2C1 ZINC000252428397 563883857 /nfs/dbraw/zinc/88/38/57/563883857.db2.gz CDAVCIQKORJVFJ-JCOFBHIZSA-N 0 0 312.196 3.919 50 0 DHAARN CCCC(=O)NCc1nc2ccccc2n1Cc1ccccc1C ZINC000001927050 563886132 /nfs/dbraw/zinc/88/61/32/563886132.db2.gz VYXVEEJZDXCPJS-UHFFFAOYSA-N 0 0 321.424 3.809 50 0 DHAARN CCCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21 ZINC000001927054 563886387 /nfs/dbraw/zinc/88/63/87/563886387.db2.gz TVIMCGLEZDJDOW-UHFFFAOYSA-N 0 0 301.434 3.889 50 0 DHAARN O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1Cl ZINC000001993666 563886832 /nfs/dbraw/zinc/88/68/32/563886832.db2.gz XDYAYJIVCUMTSR-UHFFFAOYSA-N 0 0 324.163 3.789 50 0 DHAARN C[C@@H](NC(=O)/C=C/c1ccccc1)[C@@H]1OCCc2ccccc21 ZINC000002124233 563887156 /nfs/dbraw/zinc/88/71/56/563887156.db2.gz KBEHEPIHIKNOCU-GPQSEKFTSA-N 0 0 307.393 3.519 50 0 biogenic DHAARN COc1ccc(C(=O)Nc2cc(OC)cc3cccnc32)cc1 ZINC000000446357 563887383 /nfs/dbraw/zinc/88/73/83/563887383.db2.gz GQMUUCFGHDSOLN-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 biogenic DHAARN Cc1ccc2[nH]c3nc(N=NC[C@@H]4CC=C(C)CC4)nnc3c2c1 ZINC000252627022 563887919 /nfs/dbraw/zinc/88/79/19/563887919.db2.gz RKKFAFPBYNLGIW-CYBMUJFWSA-N 0 0 320.400 3.959 50 0 DHAARN CCCN(CCC)C(=O)CCN(C(=O)c1ccoc1)[C@@H](C)CC ZINC000035809120 563887985 /nfs/dbraw/zinc/88/79/85/563887985.db2.gz QWDYZMJVUUOQSG-HNNXBMFYSA-N 0 0 322.449 3.559 50 0 DHAARN Cc1c2ccccc2oc1C(=O)Nc1cccc2c1OCCO2 ZINC000055950689 563888383 /nfs/dbraw/zinc/88/83/83/563888383.db2.gz JORGECUSEKARGO-UHFFFAOYSA-N 0 0 309.321 3.765 50 0 DHAARN COC[C@H](NC(=O)Nc1ncccc1C)c1ccc(Cl)cc1 ZINC000192571220 563889482 /nfs/dbraw/zinc/88/94/82/563889482.db2.gz PFQJMYPWCMTGJR-AWEZNQCLSA-N 0 0 319.792 3.553 50 0 DHAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC21OCCO1 ZINC000105364332 563890854 /nfs/dbraw/zinc/89/08/54/563890854.db2.gz TWYONAIDRKGWBX-MKXGPGLRSA-N 0 0 314.425 3.991 50 0 DHAARN C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000036077117 563892445 /nfs/dbraw/zinc/89/24/45/563892445.db2.gz BYWOVHMCLUFGFJ-MRXNPFEDSA-N 0 0 308.425 3.568 50 0 DHAARN CC[C@H](C(=O)NCc1ccc2c(c1)ncn2CC)c1ccccc1 ZINC000064754826 563892805 /nfs/dbraw/zinc/89/28/05/563892805.db2.gz ANLHHTBYEOGQBE-KRWDZBQOSA-N 0 0 321.424 3.866 50 0 DHAARN CC(C)CNC(=O)c1ccc(-c2ccc(N3CCCC3)nc2)cc1 ZINC000064757210 563892851 /nfs/dbraw/zinc/89/28/51/563892851.db2.gz SFKQKOKEOGGVAV-UHFFFAOYSA-N 0 0 323.440 3.735 50 0 DHAARN Cc1cccc(NC(=O)c2cc(C(C)C)n3nccc3n2)c1C ZINC000064760746 563893601 /nfs/dbraw/zinc/89/36/01/563893601.db2.gz OBTHZSYBAPRWKN-UHFFFAOYSA-N 0 0 308.385 3.722 50 0 DHAARN CC(C)(C)OC[C@@H](O)CN(Cc1ccsc1)Cc1ccco1 ZINC000036099332 563893756 /nfs/dbraw/zinc/89/37/56/563893756.db2.gz UQPFDSOUDQACDV-HNNXBMFYSA-N 0 0 323.458 3.519 50 0 DHAARN CC(C)c1cc(C(=O)Nc2cccc(Cl)c2)nc2ccnn21 ZINC000064760780 563893784 /nfs/dbraw/zinc/89/37/84/563893784.db2.gz SESKWBWVHQOTAH-UHFFFAOYSA-N 0 0 314.776 3.758 50 0 DHAARN CCc1ccc(NC(=O)c2ccc3c(c2)nnn3C(C)C)cc1 ZINC000064818452 563894321 /nfs/dbraw/zinc/89/43/21/563894321.db2.gz NFCMRBYJMZWTEV-UHFFFAOYSA-N 0 0 308.385 3.827 50 0 DHAARN CC(C)n1nccc1C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000152777501 563894721 /nfs/dbraw/zinc/89/47/21/563894721.db2.gz JIUDRDKEHZHJRF-INIZCTEOSA-N 0 0 311.429 3.730 50 0 DHAARN CCC(CC)C(=O)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929661 563894788 /nfs/dbraw/zinc/89/47/88/563894788.db2.gz MSEGCVHWYLMUMG-UHFFFAOYSA-N 0 0 323.440 3.871 50 0 DHAARN C[C@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cn1 ZINC000008150729 563894855 /nfs/dbraw/zinc/89/48/55/563894855.db2.gz WJNLFPWLQBRBRY-VIFPVBQESA-N 0 0 310.781 3.993 50 0 DHAARN O=C(Nc1ccccc1)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000036315786 563895062 /nfs/dbraw/zinc/89/50/62/563895062.db2.gz CVNYRFKQKIUBDS-GOSISDBHSA-N 0 0 310.397 3.900 50 0 DHAARN CCN1CCSc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000006802547 563895177 /nfs/dbraw/zinc/89/51/77/563895177.db2.gz BMUCSAQASLYXGU-UHFFFAOYSA-N 0 0 312.438 3.549 50 0 DHAARN CN1c2ccccc2C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006831100 563895974 /nfs/dbraw/zinc/89/59/74/563895974.db2.gz YIYWLKZMRODZNS-CQSZACIVSA-N 0 0 307.180 3.872 50 0 DHAARN O=C1C[C@H](c2cccnc2)c2ncn(-c3ccccc3F)c2N1 ZINC000036360512 563896263 /nfs/dbraw/zinc/89/62/63/563896263.db2.gz QEQKIWMYNNKDFW-GFCCVEGCSA-N 0 0 308.316 3.530 50 0 DHAARN CC(C)COc1ccccc1[C@@H]1CC(=O)Nc2nc(N)sc21 ZINC000036360609 563896348 /nfs/dbraw/zinc/89/63/48/563896348.db2.gz RJSXUSRUDYWTAQ-NSHDSACASA-N 0 0 317.414 3.884 50 0 DHAARN O=C(Cc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002083826 563896452 /nfs/dbraw/zinc/89/64/52/563896452.db2.gz MJCFQMPPJQRIKT-UHFFFAOYSA-N 0 0 301.214 3.563 50 0 DHAARN COc1ccc(NC(=O)N2CCOc3ccc(Cl)cc32)cc1 ZINC000006842958 563896755 /nfs/dbraw/zinc/89/67/55/563896755.db2.gz NCOXRDPGZYVMCP-UHFFFAOYSA-N 0 0 318.760 3.780 50 0 DHAARN CC[C@@H]1CN(C(=O)NCCc2ccccc2)c2cc(C)ccc2O1 ZINC000006843565 563896759 /nfs/dbraw/zinc/89/67/59/563896759.db2.gz RJZUJRSMFQOMRJ-QGZVFWFLSA-N 0 0 324.424 3.925 50 0 DHAARN O=C(CSC1=NCCS1)Nc1ccc(Cl)cc1Cl ZINC000006862898 563897100 /nfs/dbraw/zinc/89/71/00/563897100.db2.gz PCGMIMQGJNUKIY-UHFFFAOYSA-N 0 0 321.254 3.768 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@H]3CCCC[C@H]3C)c2c1 ZINC000006866227 563897381 /nfs/dbraw/zinc/89/73/81/563897381.db2.gz VUXXHRUEGZWTPI-OCCSQVGLSA-N 0 0 301.390 3.514 50 0 DHAARN C[C@@H](NC(=O)CN(C)[C@H](C)c1ccc(F)cc1)c1cccs1 ZINC000036415410 563899200 /nfs/dbraw/zinc/89/92/00/563899200.db2.gz BQNAAVKGLGICED-CHWSQXEVSA-N 0 0 320.433 3.757 50 0 DHAARN CC(C)CC(=O)Nc1ccc2c(c1)ncnc2N1CCCCC1 ZINC000065134974 563899804 /nfs/dbraw/zinc/89/98/04/563899804.db2.gz ARMBGUAPALENKZ-UHFFFAOYSA-N 0 0 312.417 3.605 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccccn2)no1 ZINC000065152826 563899944 /nfs/dbraw/zinc/89/99/44/563899944.db2.gz AVIOVTBHPBPMOE-UHFFFAOYSA-N 0 0 313.744 3.571 50 0 DHAARN CCOC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000006957460 563900592 /nfs/dbraw/zinc/90/05/92/563900592.db2.gz ARNPJTWYVZQXNP-UHFFFAOYSA-N 0 0 302.305 3.646 50 0 DHAARN CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c2cccnc21 ZINC000065216694 563900939 /nfs/dbraw/zinc/90/09/39/563900939.db2.gz GQRNNQZAVOMWRR-UHFFFAOYSA-N 0 0 301.296 3.587 50 0 DHAARN Cc1cccc(CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 ZINC000007004556 563900982 /nfs/dbraw/zinc/90/09/82/563900982.db2.gz AEOLFYUEIQGKSV-AUUYWEPGSA-N 0 0 314.429 3.632 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000151350067 563901474 /nfs/dbraw/zinc/90/14/74/563901474.db2.gz KWCPNCLWOWCHLJ-UHFFFAOYSA-N 0 0 306.365 3.953 50 0 DHAARN CCOCCCNC(=O)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285742 563902328 /nfs/dbraw/zinc/90/23/28/563902328.db2.gz BUVYAPVWNXCRGX-UHFFFAOYSA-N 0 0 320.458 3.974 50 0 DHAARN c1ccc(CN2CCCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286091 563902381 /nfs/dbraw/zinc/90/23/81/563902381.db2.gz AYKCYHPMXGBENP-KRWDZBQOSA-N 0 0 320.396 3.859 50 0 DHAARN Cn1ccnc1[C@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000036660059 563902544 /nfs/dbraw/zinc/90/25/44/563902544.db2.gz UYHTZHVFWGIYIQ-GOSISDBHSA-N 0 0 311.429 3.596 50 0 DHAARN Cc1nsc(N[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000170061320 563903217 /nfs/dbraw/zinc/90/32/17/563903217.db2.gz ZEEGMMNKPIOTFC-HNNXBMFYSA-N 0 0 324.409 3.638 50 0 DHAARN Cc1nsc(N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000170061323 563903343 /nfs/dbraw/zinc/90/33/43/563903343.db2.gz ZEEGMMNKPIOTFC-OAHLLOKOSA-N 0 0 324.409 3.638 50 0 DHAARN O=C(CCCc1c[nH]c2ccccc12)N1CCOc2ccccc21 ZINC000036763956 563903984 /nfs/dbraw/zinc/90/39/84/563903984.db2.gz NZAKPXYHYFVGJP-UHFFFAOYSA-N 0 0 320.392 3.916 50 0 DHAARN Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000007143430 563904003 /nfs/dbraw/zinc/90/40/03/563904003.db2.gz QZSQBVFIAHHUPP-UHFFFAOYSA-N 0 0 323.392 3.669 50 0 DHAARN Cc1noc(C)c1CC(=O)Nc1cccnc1Oc1ccccc1 ZINC000036761109 563904064 /nfs/dbraw/zinc/90/40/64/563904064.db2.gz VCRIJXPQTSOJSM-UHFFFAOYSA-N 0 0 323.352 3.660 50 0 DHAARN CC1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000007213444 563904595 /nfs/dbraw/zinc/90/45/95/563904595.db2.gz WHVCFDGAVFADOF-UHFFFAOYSA-N 0 0 303.427 3.697 50 0 DHAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)N(C)Cc1ccccc1 ZINC000007242368 563904613 /nfs/dbraw/zinc/90/46/13/563904613.db2.gz AOYRQYYBXLLWLA-OAHLLOKOSA-N 0 0 308.425 3.634 50 0 DHAARN CC(C)(C)c1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000007268278 563904902 /nfs/dbraw/zinc/90/49/02/563904902.db2.gz BBLVFKZLZDGFHC-UHFFFAOYSA-N 0 0 320.392 3.577 50 0 DHAARN CCNc1nnc(SCc2cc(Cl)ccc2OC)s1 ZINC000007248869 563904913 /nfs/dbraw/zinc/90/49/13/563904913.db2.gz QBDBTISYGLDIPU-UHFFFAOYSA-N 0 0 315.851 3.924 50 0 DHAARN Cc1cnc(C(=O)Nc2ccccc2Cc2ccccc2)cn1 ZINC000007344867 563905319 /nfs/dbraw/zinc/90/53/19/563905319.db2.gz ZNBCSACUCPPVRB-UHFFFAOYSA-N 0 0 303.365 3.628 50 0 DHAARN CCCOc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000007366822 563905351 /nfs/dbraw/zinc/90/53/51/563905351.db2.gz DAVMSJRZDCENAN-UHFFFAOYSA-N 0 0 314.410 3.602 50 0 DHAARN O=C(OCc1nc2ccccc2o1)c1ccc(-n2cccc2)cc1 ZINC000007373145 563905374 /nfs/dbraw/zinc/90/53/74/563905374.db2.gz MQGJFLOQIFGDKM-UHFFFAOYSA-N 0 0 318.332 3.976 50 0 DHAARN Fc1ccc(CNC(=S)NCCc2cccc(Cl)c2)cc1 ZINC000007376668 563905521 /nfs/dbraw/zinc/90/55/21/563905521.db2.gz HSKRYYTVTFEOQO-UHFFFAOYSA-N 0 0 322.836 3.686 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 ZINC000007403688 563906113 /nfs/dbraw/zinc/90/61/13/563906113.db2.gz LJALAMAMJLGKDC-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN CCOc1ccc(CCC(=O)N2CCc3c2cccc3F)cc1 ZINC000170596031 563907118 /nfs/dbraw/zinc/90/71/18/563907118.db2.gz IPBWTOFSKDMUTJ-UHFFFAOYSA-N 0 0 313.372 3.746 50 0 DHAARN Cc1nnc2c3ccccc3nc(Nc3cc(C)cc(C)c3)n12 ZINC000007500027 563907317 /nfs/dbraw/zinc/90/73/17/563907317.db2.gz ZLTVGPHOTOSESC-UHFFFAOYSA-N 0 0 303.369 3.946 50 0 DHAARN CC(C)Oc1cccc(CN2C[C@H](C)NC(=O)c3ccccc32)c1 ZINC000170607301 563907733 /nfs/dbraw/zinc/90/77/33/563907733.db2.gz NGZJWOQTLQZFLY-HNNXBMFYSA-N 0 0 324.424 3.612 50 0 DHAARN OCc1cccc(NCc2cnc(-c3cccs3)s2)c1 ZINC000170606929 563907738 /nfs/dbraw/zinc/90/77/38/563907738.db2.gz CZNSVDAJQIXCDP-UHFFFAOYSA-N 0 0 302.424 3.976 50 0 DHAARN C[C@H]1CN(C(=O)Nc2ccc(SC(C)(C)C)cc2)CC[C@H]1O ZINC000170609725 563907790 /nfs/dbraw/zinc/90/77/90/563907790.db2.gz AWFCZNSCDKSLCS-SWLSCSKDSA-N 0 0 322.474 3.812 50 0 DHAARN Cc1c(Cl)cccc1NC(=S)N(C)CCc1ccccn1 ZINC000007528789 563907973 /nfs/dbraw/zinc/90/79/73/563907973.db2.gz BSYPKXVYCFZLFP-UHFFFAOYSA-N 0 0 319.861 3.915 50 0 DHAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1nc2cccnc2s1 ZINC000170617891 563908463 /nfs/dbraw/zinc/90/84/63/563908463.db2.gz SREJGLVFLBRIID-UHFFFAOYSA-N 0 0 323.299 3.962 50 0 DHAARN CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1 ZINC000007548827 563908527 /nfs/dbraw/zinc/90/85/27/563908527.db2.gz BQJGAGGLGXXGRZ-GOSISDBHSA-N 0 0 310.397 3.949 50 0 DHAARN CC(C)C[C@H](C)N(C(=O)[C@@H]1CCOC1)c1ccc2[nH]ccc2c1 ZINC000170620360 563908637 /nfs/dbraw/zinc/90/86/37/563908637.db2.gz HCXSXTUSXPQRNT-GOEBONIOSA-N 0 0 314.429 3.972 50 0 DHAARN C[C@H]1CCC[C@@H](CCNC(=O)Nn2cnc3ccccc32)C1 ZINC000170627499 563908719 /nfs/dbraw/zinc/90/87/19/563908719.db2.gz RSDHKCILDIFVBU-KBPBESRZSA-N 0 0 300.406 3.506 50 0 DHAARN CCC[C@@H](C)NC(=O)COC(=O)c1sc2ccccc2c1C ZINC000007567914 563908944 /nfs/dbraw/zinc/90/89/44/563908944.db2.gz WJHKWLKDNKFGJC-LLVKDONJSA-N 0 0 319.426 3.671 50 0 DHAARN O=C(Nn1cnc2ccccc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626910 563909001 /nfs/dbraw/zinc/90/90/01/563909001.db2.gz SVIPIOZFTRPWEU-GOSISDBHSA-N 0 0 310.401 3.522 50 0 DHAARN Cc1nn(C)c(C)c1C=C1SC(=O)N=C1Nc1ccccc1 ZINC000071284504 563909046 /nfs/dbraw/zinc/90/90/46/563909046.db2.gz SGXOOIWHLINPBM-ZROIWOOFSA-N 0 0 312.398 3.755 50 0 DHAARN O=C(Cn1ccc2ccc(F)cc21)Nc1cccc2[nH]ccc21 ZINC000071284356 563909105 /nfs/dbraw/zinc/90/91/05/563909105.db2.gz CXPLJKDNJNMCLX-UHFFFAOYSA-N 0 0 307.328 3.900 50 0 DHAARN COc1ccc(C)cc1NC(=O)CSCc1ccsc1 ZINC000009954922 563909218 /nfs/dbraw/zinc/90/92/18/563909218.db2.gz KCKAYKDHMWBWBM-UHFFFAOYSA-N 0 0 307.440 3.937 50 0 DHAARN CC[C@@H](C)[C@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1 ZINC000009954938 563909251 /nfs/dbraw/zinc/90/92/51/563909251.db2.gz KZWNJZNYNHCURL-DYVFJYSZSA-N 0 0 310.397 3.554 50 0 DHAARN O=C(Nc1cnccn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320493 563909532 /nfs/dbraw/zinc/90/95/32/563909532.db2.gz VPIWINXCXGSUCT-UHFFFAOYSA-N 0 0 316.670 3.793 50 0 DHAARN CC[C@@H](C(=O)N[C@@H]1CCc2cc(F)ccc21)c1c(C)noc1C ZINC000071853787 563909546 /nfs/dbraw/zinc/90/95/46/563909546.db2.gz GRQURZKPBYWOIX-GDBMZVCRSA-N 0 0 316.376 3.728 50 0 DHAARN Cc1ccc(C)c(OCC(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000013744986 563909823 /nfs/dbraw/zinc/90/98/23/563909823.db2.gz MJXDCTSMZGLTQR-UHFFFAOYSA-N 0 0 302.374 3.606 50 0 DHAARN Cc1csc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000089705529 563911174 /nfs/dbraw/zinc/91/11/74/563911174.db2.gz XPWNYVXSFBCTRT-KGLIPLIRSA-N 0 0 320.845 3.567 50 0 DHAARN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccccc2F)c1 ZINC000089618782 563910798 /nfs/dbraw/zinc/91/07/98/563910798.db2.gz PTLNNVCIHWYHOR-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(C3CC3)s2)s1 ZINC000089656446 563910927 /nfs/dbraw/zinc/91/09/27/563910927.db2.gz BUTJRPHMCHOHGY-VHSXEESVSA-N 0 0 305.428 3.528 50 0 DHAARN Cn1c(CN2CCC[C@@H]2c2ccccc2)nnc1-c1ccccc1 ZINC000089741445 563911037 /nfs/dbraw/zinc/91/10/37/563911037.db2.gz RECDDNNXLZHMJT-GOSISDBHSA-N 0 0 318.424 3.819 50 0 DHAARN CS[C@H]1CCC[C@@H](NC(=O)CNc2ccccc2Cl)C1 ZINC000076016962 563911704 /nfs/dbraw/zinc/91/17/04/563911704.db2.gz WBUDKMAMECZSHU-NEPJUHHUSA-N 0 0 312.866 3.542 50 0 DHAARN COC[C@H](C)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000089876647 563911882 /nfs/dbraw/zinc/91/18/82/563911882.db2.gz XLDYZXLNKKUYQZ-JTQLQIEISA-N 0 0 314.223 3.794 50 0 DHAARN O=C(Nc1ccc(Oc2cccnc2)nc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000089883158 563911954 /nfs/dbraw/zinc/91/19/54/563911954.db2.gz BPAUUOYNWFBUQE-ZIAGYGMSSA-N 0 0 324.384 3.533 50 0 DHAARN CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 ZINC000076042942 563911986 /nfs/dbraw/zinc/91/19/86/563911986.db2.gz LXLIMBIIUUGIEF-OLZOCXBDSA-N 0 0 322.474 3.531 50 0 DHAARN O=C(c1ccc2[nH]ccc2c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000089915214 563912112 /nfs/dbraw/zinc/91/21/12/563912112.db2.gz QZSPISJRUKOHAU-UHFFFAOYSA-N 0 0 315.376 3.848 50 0 biogenic DHAARN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cccnc2)o1 ZINC000076066711 563912114 /nfs/dbraw/zinc/91/21/14/563912114.db2.gz CSLKGPJJXZNXAN-CZUORRHYSA-N 0 0 313.401 3.666 50 0 DHAARN O=C(/C=C/c1cccnc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000076067167 563912173 /nfs/dbraw/zinc/91/21/73/563912173.db2.gz LMVIYBMHSNBXQV-KBOKABMXSA-N 0 0 324.449 3.736 50 0 DHAARN O=C(c1ccc2cc[nH]c2c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000089916763 563912230 /nfs/dbraw/zinc/91/22/30/563912230.db2.gz JVXPFOAORWNSFS-UHFFFAOYSA-N 0 0 315.376 3.848 50 0 biogenic DHAARN CCc1cnc(CNC(=O)Nc2cccc3[nH]ccc32)s1 ZINC000076070279 563912326 /nfs/dbraw/zinc/91/23/26/563912326.db2.gz GPIRUCABFAVQPY-UHFFFAOYSA-N 0 0 300.387 3.509 50 0 DHAARN CC(C)N(C(=O)CN1CC[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000076093301 563912329 /nfs/dbraw/zinc/91/23/29/563912329.db2.gz PUHLBFBJEIDREQ-INIZCTEOSA-N 0 0 308.853 3.732 50 0 DHAARN CC(C)N(C(=O)CN1CC[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000076093299 563912366 /nfs/dbraw/zinc/91/23/66/563912366.db2.gz PUHLBFBJEIDREQ-MRXNPFEDSA-N 0 0 308.853 3.732 50 0 DHAARN Clc1cccc(-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000006728804 563913765 /nfs/dbraw/zinc/91/37/65/563913765.db2.gz WELQJLJBQISLCR-UHFFFAOYSA-N 0 0 300.701 3.786 50 0 DHAARN CC(C)CC[C@@]1(CCN2C(=O)CCC2=O)CCO[C@@H](C(C)C)C1 ZINC000002111813 563914246 /nfs/dbraw/zinc/91/42/46/563914246.db2.gz ANCPIMCKINDVSO-VQIMIIECSA-N 0 0 323.477 3.783 50 0 biogenic DHAARN CC(C)Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000002464673 563914254 /nfs/dbraw/zinc/91/42/54/563914254.db2.gz FBOFVWIZIXZDIX-PBHICJAKSA-N 0 0 309.475 3.742 50 0 DHAARN CCc1cc(C(N)=O)c(NC(=O)c2ccc3ccccc3c2)s1 ZINC000027927934 563914671 /nfs/dbraw/zinc/91/46/71/563914671.db2.gz OBOMGNXTOLBUDC-UHFFFAOYSA-N 0 0 324.405 3.815 50 0 DHAARN C[C@@H](NC(=O)CN1CCc2sccc2[C@H]1C)c1ccccc1 ZINC000252444188 563914945 /nfs/dbraw/zinc/91/49/45/563914945.db2.gz ODFSFKFTSTZOOC-ZIAGYGMSSA-N 0 0 314.454 3.545 50 0 DHAARN Cc1c(Cl)cccc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000252490894 563916043 /nfs/dbraw/zinc/91/60/43/563916043.db2.gz LEIDNVYSZIAHCW-UHFFFAOYSA-N 0 0 319.792 3.518 50 0 DHAARN COc1cccc(C2(F)CCN(C(=O)c3occc3C)CC2)c1 ZINC000252498534 563916190 /nfs/dbraw/zinc/91/61/90/563916190.db2.gz RECLAHALONTALQ-UHFFFAOYSA-N 0 0 317.360 3.698 50 0 DHAARN CC(C)NC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208047478 563916245 /nfs/dbraw/zinc/91/62/45/563916245.db2.gz ZUMBKRKAVQVYCQ-CQSZACIVSA-N 0 0 312.866 3.938 50 0 DHAARN CC1(C)OC[C@H](CCOC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)O1 ZINC000252517170 563916610 /nfs/dbraw/zinc/91/66/10/563916610.db2.gz BGHRKSKSXNPMNS-KKUMJFAQSA-N 0 0 324.804 3.528 50 0 DHAARN Cc1noc(C)c1[C@@H](C)CNC(=O)N(CC1CCC1)C(C)C ZINC000194117356 563916942 /nfs/dbraw/zinc/91/69/42/563916942.db2.gz 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/nfs/dbraw/zinc/91/86/90/563918690.db2.gz NRSHZEZMVVEKKA-UHFFFAOYSA-N 0 0 314.772 3.719 50 0 DHAARN Cc1cc(CSc2nnc(-c3cccs3)n2C2CC2)no1 ZINC000007763809 563918912 /nfs/dbraw/zinc/91/89/12/563918912.db2.gz ZLSJYYSWIDWDKG-UHFFFAOYSA-N 0 0 318.427 3.930 50 0 DHAARN C[C@@H](CNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000007775538 563919063 /nfs/dbraw/zinc/91/90/63/563919063.db2.gz DBOKJTJQMCQRAX-AWEZNQCLSA-N 0 0 305.381 3.610 50 0 DHAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000007775447 563919066 /nfs/dbraw/zinc/91/90/66/563919066.db2.gz NFCYMVHQCINBSD-GFCCVEGCSA-N 0 0 309.344 3.707 50 0 DHAARN CCOc1ncccc1C(=O)N1CCCSc2ccccc21 ZINC000007780201 563919128 /nfs/dbraw/zinc/91/91/28/563919128.db2.gz CVXVMNMUFMATDL-UHFFFAOYSA-N 0 0 314.410 3.623 50 0 DHAARN COc1ccc(Oc2ncccc2NCc2cscn2)cc1 ZINC000195573334 563919757 /nfs/dbraw/zinc/91/97/57/563919757.db2.gz DXEQBWWVSSEZJP-UHFFFAOYSA-N 0 0 313.382 3.951 50 0 DHAARN CCc1nnc(CSc2ccnc3c(OC)cccc23)s1 ZINC000195571502 563919762 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COC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000009135395 563953445 /nfs/dbraw/zinc/95/34/45/563953445.db2.gz KBRHQUAXCCDIKP-UHFFFAOYSA-N 0 0 312.325 3.556 50 0 DHAARN CC(C)N(Cc1cccc(Cl)c1)C(=O)NCc1ccncc1 ZINC000069592151 563953716 /nfs/dbraw/zinc/95/37/16/563953716.db2.gz JYBZXOYHDSGFCW-UHFFFAOYSA-N 0 0 317.820 3.855 50 0 DHAARN CS[C@@H](C)C(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000069586610 563953768 /nfs/dbraw/zinc/95/37/68/563953768.db2.gz YVTWTLKZHNPGQW-BLLLJJGKSA-N 0 0 318.417 3.520 50 0 DHAARN CC(C)[C@@H](C)NC(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000069652780 563953911 /nfs/dbraw/zinc/95/39/11/563953911.db2.gz BWMZNISOPPSZQV-CYBMUJFWSA-N 0 0 309.837 3.549 50 0 DHAARN CCc1cccc2c(C(=O)C(=O)Nc3cccc(OC)c3)c[nH]c21 ZINC000009227459 563954141 /nfs/dbraw/zinc/95/41/41/563954141.db2.gz KMNJMGWYXFUEJA-UHFFFAOYSA-N 0 0 322.364 3.560 50 0 DHAARN Cc1ccc2[nH]c(=O)c(-c3noc(-c4ccccc4C)n3)cc2c1 ZINC000009215725 563954214 /nfs/dbraw/zinc/95/42/14/563954214.db2.gz WIQXCERTFIELLS-UHFFFAOYSA-N 0 0 317.348 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/nfs/dbraw/zinc/95/90/42/563959042.db2.gz GBYBXXPPSKKHIU-UHFFFAOYSA-N 0 0 318.421 3.613 50 0 DHAARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000071839182 563959295 /nfs/dbraw/zinc/95/92/95/563959295.db2.gz KSPUAIWBYFDURB-PBHICJAKSA-N 0 0 309.413 3.593 50 0 DHAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)CC3)c12 ZINC000071841916 563959299 /nfs/dbraw/zinc/95/92/99/563959299.db2.gz AVKKENODVMNPEH-NSHDSACASA-N 0 0 313.401 3.671 50 0 DHAARN CC(C)(C)OC(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000071853343 563959495 /nfs/dbraw/zinc/95/94/95/563959495.db2.gz YFYSPECBUBSRCQ-UHFFFAOYSA-N 0 0 316.445 3.696 50 0 DHAARN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCc2cscn2)cc1 ZINC000076996366 563960633 /nfs/dbraw/zinc/96/06/33/563960633.db2.gz DNHCLYRTCLDGSS-IRXDYDNUSA-N 0 0 314.454 3.729 50 0 DHAARN Cc1cnc([C@H](C)NC(=O)Nc2cccc3[nH]ccc32)s1 ZINC000078538717 563960917 /nfs/dbraw/zinc/96/09/17/563960917.db2.gz CKCSYENPBICMEI-JTQLQIEISA-N 0 0 300.387 3.816 50 0 DHAARN CN(CCO)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 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1013993629 /nfs/dbraw/zinc/99/36/29/1013993629.db2.gz MESQJMYUDOWKOW-UHFFFAOYSA-N 0 0 302.399 3.953 50 0 DHAARN CN(Cc1ccc(Cl)s1)C(=O)Cc1noc2ccccc21 ZINC000012745717 1014335536 /nfs/dbraw/zinc/33/55/36/1014335536.db2.gz KKMQTPPSPILAEQ-UHFFFAOYSA-N 0 0 320.801 3.744 50 0 DHAARN CC(C)c1ccc([C@H](C)SCC(=O)NC2CCOCC2)cc1 ZINC000097085506 1015064717 /nfs/dbraw/zinc/06/47/17/1015064717.db2.gz IEJRHYOMYQODFF-AWEZNQCLSA-N 0 0 321.486 3.899 50 0 DHAARN CC(=O)CCCOC(=O)c1c(C)c(C)sc1-n1cccc1 ZINC000075572274 1015069054 /nfs/dbraw/zinc/06/90/54/1015069054.db2.gz KAIOHPRZNTUNMS-UHFFFAOYSA-N 0 0 305.399 3.682 50 0 DHAARN O=C(Nc1ccccn1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000051190100 1015274635 /nfs/dbraw/zinc/27/46/35/1015274635.db2.gz AKZTWTNCKWHNTH-UHFFFAOYSA-N 0 0 301.777 3.936 50 0 DHAARN O=C(CC[C@@H]1CCCCO1)N1CC=C(c2cccs2)CC1 ZINC000117721148 1015430621 /nfs/dbraw/zinc/43/06/21/1015430621.db2.gz KEOTVLADETXLBE-HNNXBMFYSA-N 0 0 305.443 3.713 50 0 DHAARN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CCC(O)CC1 ZINC000194120483 1015701985 /nfs/dbraw/zinc/70/19/85/1015701985.db2.gz WZMBZGXXKWZCEN-VMWRSERWSA-N 0 0 319.420 3.724 50 0 DHAARN CC[C@@](C)(NC(=O)Nc1ccncc1C)c1nc(C)cs1 ZINC000120486326 1016392432 /nfs/dbraw/zinc/39/24/32/1016392432.db2.gz DAKMOCCKGMGTIR-OAHLLOKOSA-N 0 0 304.419 3.602 50 0 DHAARN OCc1cc(C(F)(F)F)ccc1-c1cnc2c(c1)CCCO2 ZINC000623169570 1016905253 /nfs/dbraw/zinc/90/52/53/1016905253.db2.gz HPCXPBCBUVCFTO-UHFFFAOYSA-N 0 0 309.287 3.585 50 0 DHAARN O=C(/C=C/c1ccc(Cl)nc1)Nc1nc2ccccc2s1 ZINC000095442149 1032157810 /nfs/dbraw/zinc/15/78/10/1032157810.db2.gz VURNVKYQPXCHOY-SOFGYWHQSA-N 0 0 315.785 3.997 50 0 DHAARN O=C(Nc1cc(C2CCCC2)[nH]n1)Nc1ccc2c(c1)CCO2 ZINC000192213646 1032496308 /nfs/dbraw/zinc/49/63/08/1032496308.db2.gz WGMLROZGTHMOMM-UHFFFAOYSA-N 0 0 312.373 3.646 50 0 DHAARN O=C(NCc1ccc(Cl)s1)N[C@@H]1CCCc2occc21 ZINC000192927767 1032514632 /nfs/dbraw/zinc/51/46/32/1032514632.db2.gz IENLPSXIMNVKPY-LLVKDONJSA-N 0 0 310.806 3.871 50 0 DHAARN O=C1CCCN1c1ccc(NCc2sccc2Cl)nc1 ZINC000192753806 1032511041 /nfs/dbraw/zinc/51/10/41/1032511041.db2.gz ZQIYNOKYMYUJFB-UHFFFAOYSA-N 0 0 307.806 3.535 50 0 DHAARN Cc1ccc2c(c1)nc(CN[C@H](C)c1ccncc1Cl)n2C ZINC000952876359 1032668223 /nfs/dbraw/zinc/66/82/23/1032668223.db2.gz OBHXBGNHOWOPIE-GFCCVEGCSA-N 0 0 314.820 3.781 50 0 DHAARN Cc1nc(CNC(=O)C(C)(C)Nc2ccc(C)cc2)sc1C ZINC000952964150 1032671804 /nfs/dbraw/zinc/67/18/04/1032671804.db2.gz MSXWXBJEVSXAMV-UHFFFAOYSA-N 0 0 317.458 3.575 50 0 DHAARN O=C(c1ccc([C@H]2CCCO2)s1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000952966336 1032675820 /nfs/dbraw/zinc/67/58/20/1032675820.db2.gz JABFJRPJZOLATF-HZSPNIEDSA-N 0 0 303.427 3.638 50 0 DHAARN CCCCOc1ccccc1C(=O)Nc1ccc(O)c(OC)c1 ZINC000952980626 1032678055 /nfs/dbraw/zinc/67/80/55/1032678055.db2.gz DVVIDVLOLXZLCA-UHFFFAOYSA-N 0 0 315.369 3.832 50 0 DHAARN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C2CCCCC2)[nH]c1C ZINC000952992398 1032678370 /nfs/dbraw/zinc/67/83/70/1032678370.db2.gz LYBNIBAEBAGJPN-ZACQAIPSSA-N 0 0 315.461 3.906 50 0 DHAARN COc1ccc(-c2ccc(C(=O)N3CC=C[C@H]3C(C)C)o2)cc1 ZINC000952978009 1032678731 /nfs/dbraw/zinc/67/87/31/1032678731.db2.gz PLMMRRSIPJMYMD-INIZCTEOSA-N 0 0 311.381 3.992 50 0 DHAARN Cc1nc(CN(C)CCCOc2cccc(Cl)c2)n(C)c1C ZINC000952976089 1032680131 /nfs/dbraw/zinc/68/01/31/1032680131.db2.gz RAZGFOPUXAXWBV-UHFFFAOYSA-N 0 0 321.852 3.591 50 0 DHAARN CC[C@H](NC(=O)/C=C/c1cc(CO)cs1)c1ccc(F)cc1 ZINC000952988157 1032682901 /nfs/dbraw/zinc/68/29/01/1032682901.db2.gz OLRJOCNEIAORBN-WAVCKPEOSA-N 0 0 319.401 3.660 50 0 DHAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)/C=C/c1ccccc1 ZINC000952985640 1032683252 /nfs/dbraw/zinc/68/32/52/1032683252.db2.gz CEPHMDFLIURTDI-JXOMPUQVSA-N 0 0 320.436 3.685 50 0 DHAARN CC(C)C[C@@H](C(=O)Nc1nc2c(s1)CCC2)n1cccc1 ZINC000575443095 1017633400 /nfs/dbraw/zinc/63/34/00/1017633400.db2.gz GZHSCAGGFRUIKW-ZDUSSCGKSA-N 0 0 303.431 3.659 50 0 DHAARN CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(C)c(O)c1 ZINC000186036679 1017650016 /nfs/dbraw/zinc/65/00/16/1017650016.db2.gz LGCVCNTXNRYIBQ-GOSISDBHSA-N 0 0 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Cc1cc(C)c(C(=O)COc2ncnc3ccccc32)cc1C ZINC000002620006 180940228 /nfs/dbraw/zinc/94/02/28/180940228.db2.gz GFJRCMQSJREURV-UHFFFAOYSA-N 0 0 306.365 3.817 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(CO)cc2)c(Br)c1 ZINC000002627256 180941233 /nfs/dbraw/zinc/94/12/33/180941233.db2.gz DCOPJRFOJDREIY-UHFFFAOYSA-N 0 0 320.186 3.502 50 0 DHAARN O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000002773516 180955043 /nfs/dbraw/zinc/95/50/43/180955043.db2.gz CSTYAOSSVJPVCY-FNORWQNLSA-N 0 0 319.719 3.860 50 0 DHAARN CN(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000002758036 180952985 /nfs/dbraw/zinc/95/29/85/180952985.db2.gz QTOAVYNRXDWGRO-UHFFFAOYSA-N 0 0 309.797 3.817 50 0 DHAARN Cc1ccccc1Cn1cc(NC(=O)c2ccccc2C)cn1 ZINC000002761451 180952997 /nfs/dbraw/zinc/95/29/97/180952997.db2.gz RQUDGGIVZQDVJF-UHFFFAOYSA-N 0 0 305.381 3.801 50 0 DHAARN Cc1ccccc1Cn1cc(NC(=O)c2ccccc2F)cn1 ZINC000002766021 180954083 /nfs/dbraw/zinc/95/40/83/180954083.db2.gz HRKLJEVFUWKMIU-UHFFFAOYSA-N 0 0 309.344 3.631 50 0 DHAARN Cc1nn(C)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1Cl ZINC000002764547 180954105 /nfs/dbraw/zinc/95/41/05/180954105.db2.gz DLIXNWCWKRAIQV-UHFFFAOYSA-N 0 0 318.591 3.941 50 0 DHAARN COc1ccccc1OCCSc1nc2ccccc2n1C ZINC000002984711 180974211 /nfs/dbraw/zinc/97/42/11/180974211.db2.gz OANJPZPAGJUZEO-UHFFFAOYSA-N 0 0 314.410 3.753 50 0 DHAARN C/C=C/c1ccc(OCCOc2cccc(C=O)c2)c(OC)c1 ZINC000002984967 180974218 /nfs/dbraw/zinc/97/42/18/180974218.db2.gz OQBOPHFLMVXIGQ-HWKANZROSA-N 0 0 312.365 3.999 50 0 DHAARN CCCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000003005094 180976821 /nfs/dbraw/zinc/97/68/21/180976821.db2.gz ZAHNETYOZZDLNH-UHFFFAOYSA-N 0 0 322.364 3.616 50 0 DHAARN CC(C)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 ZINC000003316860 181004389 /nfs/dbraw/zinc/00/43/89/181004389.db2.gz DWSJJMVYLMSRFX-UHFFFAOYSA-N 0 0 317.410 3.596 50 0 DHAARN CCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1F ZINC000003323161 181005363 /nfs/dbraw/zinc/00/53/63/181005363.db2.gz LOXPIYUNAUUKHU-UHFFFAOYSA-N 0 0 314.404 3.767 50 0 DHAARN CN(C)c1cccc(C(=O)Nc2ccccc2OC(F)F)c1 ZINC000003327486 181006082 /nfs/dbraw/zinc/00/60/82/181006082.db2.gz XSAKCCKPFZQNFB-UHFFFAOYSA-N 0 0 306.312 3.606 50 0 DHAARN C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000003327948 181006107 /nfs/dbraw/zinc/00/61/07/181006107.db2.gz QLHKKYNMTQXZDQ-LBPRGKRZSA-N 0 0 322.330 3.822 50 0 DHAARN COc1cccc(/C=C/C(=O)Nc2cc(F)ccc2C)c1OC ZINC000003301505 181002161 /nfs/dbraw/zinc/00/21/61/181002161.db2.gz XHWYHXPKIRNTMX-CSKARUKUSA-N 0 0 315.344 3.803 50 0 DHAARN CC(C)c1ccc(NC(=O)COc2ncnc3ccccc32)cc1 ZINC000003300959 181002406 /nfs/dbraw/zinc/00/24/06/181002406.db2.gz JIRKLFDAHYJOQL-UHFFFAOYSA-N 0 0 321.380 3.771 50 0 DHAARN CCOc1cc(C=O)ccc1OCCOc1cccc(C)c1 ZINC000003308220 181003071 /nfs/dbraw/zinc/00/30/71/181003071.db2.gz WVJXNXQSHMXHNC-UHFFFAOYSA-N 0 0 300.354 3.664 50 0 DHAARN CCCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000003313030 181003824 /nfs/dbraw/zinc/00/38/24/181003824.db2.gz FJZQLUHQODKNCQ-UHFFFAOYSA-N 0 0 304.173 3.665 50 0 DHAARN Fc1ccccc1COc1ncnc2sc3c(c21)CCC3 ZINC000003366472 181012248 /nfs/dbraw/zinc/01/22/48/181012248.db2.gz GZQXKVSODXSMBL-UHFFFAOYSA-N 0 0 300.358 3.898 50 0 DHAARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003383257 181013710 /nfs/dbraw/zinc/01/37/10/181013710.db2.gz SRSWTPGYYOEJMH-GFCCVEGCSA-N 0 0 315.394 3.577 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000003388403 181014300 /nfs/dbraw/zinc/01/43/00/181014300.db2.gz XHZPJASNOWGPOU-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN Cc1sc2[nH]c(-c3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000003331400 181007116 /nfs/dbraw/zinc/00/71/16/181007116.db2.gz OGRAGJMEXSOFFD-UHFFFAOYSA-N 0 0 322.336 3.870 50 0 DHAARN CSc1ncccc1C(=O)Nc1ccccc1OC(F)F ZINC000003337256 181007682 /nfs/dbraw/zinc/00/76/82/181007682.db2.gz XVAHNGBXBKADSR-UHFFFAOYSA-N 0 0 310.325 3.657 50 0 DHAARN Cc1ccc(NC(=O)CN(C)Cc2ccccc2F)cc1C ZINC000003346668 181009780 /nfs/dbraw/zinc/00/97/80/181009780.db2.gz AYFNNEGKDPUMET-UHFFFAOYSA-N 0 0 300.377 3.513 50 0 DHAARN O=c1c(Cl)c(Cl)cnn1Cc1cccc2ccccc21 ZINC000003352942 181010645 /nfs/dbraw/zinc/01/06/45/181010645.db2.gz KTUBZFMPUVMFMP-UHFFFAOYSA-N 0 0 305.164 3.752 50 0 DHAARN Cc1cc(C)c(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1 ZINC000003359395 181011103 /nfs/dbraw/zinc/01/11/03/181011103.db2.gz QFLRWKNWLGUDDG-RRQGHBQHSA-N 0 0 303.446 3.932 50 0 DHAARN CCOc1ccc(NC(=O)CSc2nc(C)cs2)cc1 ZINC000003413988 181016723 /nfs/dbraw/zinc/01/67/23/181016723.db2.gz LNMDTNGLRGAGQI-UHFFFAOYSA-N 0 0 308.428 3.581 50 0 DHAARN COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1 ZINC000003422936 181017581 /nfs/dbraw/zinc/01/75/81/181017581.db2.gz OAFVIOZJPGNXAH-UHFFFAOYSA-N 0 0 317.410 3.975 50 0 DHAARN COc1ccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000003428499 181018064 /nfs/dbraw/zinc/01/80/64/181018064.db2.gz QXEMCMLZIKUFFN-UHFFFAOYSA-N 0 0 312.365 3.660 50 0 DHAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)s1 ZINC000003429237 181018176 /nfs/dbraw/zinc/01/81/76/181018176.db2.gz QNRAWOVEMWYOOP-JTQLQIEISA-N 0 0 323.801 3.894 50 0 DHAARN COc1ccccc1NC(=O)[C@@H](C)Nc1cccc(SC)c1 ZINC000003429235 181018245 /nfs/dbraw/zinc/01/82/45/181018245.db2.gz OFNRQUPNKVSOGU-GFCCVEGCSA-N 0 0 316.426 3.856 50 0 DHAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000003428107 181018287 /nfs/dbraw/zinc/01/82/87/181018287.db2.gz QSDBSTLNKMFMCQ-UHFFFAOYSA-N 0 0 322.320 3.631 50 0 DHAARN CC[C@@H](C(=O)OCC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000003446464 181020806 /nfs/dbraw/zinc/02/08/06/181020806.db2.gz SKBMCYPXWLNIMV-MRXNPFEDSA-N 0 0 315.344 3.501 50 0 DHAARN Cc1cc(=O)oc2cc(NC(=O)CCc3ccccc3)ccc12 ZINC000003448967 181021417 /nfs/dbraw/zinc/02/14/17/181021417.db2.gz SUQUADBCKVXHFA-UHFFFAOYSA-N 0 0 307.349 3.673 50 0 DHAARN COc1ccc(NC(=O)c2ccc3ccccc3n2)c(OC)c1 ZINC000003450621 181021630 /nfs/dbraw/zinc/02/16/30/181021630.db2.gz VTVIHKFJOXOTKH-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN CCOc1ccc(NC(=O)COC(=O)CC2CCCCC2)cc1 ZINC000003449294 181021752 /nfs/dbraw/zinc/02/17/52/181021752.db2.gz BBFUPISMTRTSPI-UHFFFAOYSA-N 0 0 319.401 3.537 50 0 DHAARN Cc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1 ZINC000003528529 181030695 /nfs/dbraw/zinc/03/06/95/181030695.db2.gz HBNZAEDCKIVDHH-UHFFFAOYSA-N 0 0 313.382 3.651 50 0 DHAARN Cc1csc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000003459085 181023050 /nfs/dbraw/zinc/02/30/50/181023050.db2.gz FHRBGPSSICRIOW-UHFFFAOYSA-N 0 0 322.389 3.935 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000003462573 181023746 /nfs/dbraw/zinc/02/37/46/181023746.db2.gz ZGOTVDSYQDEHTC-UHFFFAOYSA-N 0 0 312.369 3.685 50 0 DHAARN COc1ccc(CSc2nncn2-c2ccccc2)cc1F ZINC000003546126 181032442 /nfs/dbraw/zinc/03/24/42/181032442.db2.gz GEBRMOAQMAOCSZ-UHFFFAOYSA-N 0 0 315.373 3.707 50 0 DHAARN O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)CCC2 ZINC000003547114 181032681 /nfs/dbraw/zinc/03/26/81/181032681.db2.gz LCYLURKABRRJCV-UHFFFAOYSA-N 0 0 319.763 3.985 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000003547928 181033143 /nfs/dbraw/zinc/03/31/43/181033143.db2.gz YTEVXBXIIDIIPA-SFHVURJKSA-N 0 0 311.381 3.805 50 0 DHAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000003553654 181033329 /nfs/dbraw/zinc/03/33/29/181033329.db2.gz IVSAWYWFELUEKC-UGSOOPFHSA-N 0 0 311.381 3.979 50 0 DHAARN Cc1cnc(NC(=O)/C=C/c2cccc(Br)c2)s1 ZINC000003555915 181034072 /nfs/dbraw/zinc/03/40/72/181034072.db2.gz PBEHJWXVWNPPBD-AATRIKPKSA-N 0 0 323.215 3.866 50 0 DHAARN COc1ccc(CC(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000003558908 181034518 /nfs/dbraw/zinc/03/45/18/181034518.db2.gz PSYSNVVAIBJMKT-UHFFFAOYSA-N 0 0 312.394 3.795 50 0 DHAARN O=C(OCc1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000003849032 181049275 /nfs/dbraw/zinc/04/92/75/181049275.db2.gz OMHQZAYHDPONTI-UHFFFAOYSA-N 0 0 313.740 3.539 50 0 DHAARN Clc1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC000003886952 181052753 /nfs/dbraw/zinc/05/27/53/181052753.db2.gz DOOBXNPTUKTSNY-UHFFFAOYSA-N 0 0 307.850 3.819 50 0 DHAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)C1CC1 ZINC000003906488 181055796 /nfs/dbraw/zinc/05/57/96/181055796.db2.gz GZRYPAHEGDFELK-UHFFFAOYSA-N 0 0 309.344 3.797 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(O)c3)on2)c1 ZINC000003908327 181056730 /nfs/dbraw/zinc/05/67/30/181056730.db2.gz MSGCDMDDDRXGAU-UHFFFAOYSA-N 0 0 322.320 3.502 50 0 DHAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1 ZINC000003958706 181059835 /nfs/dbraw/zinc/05/98/35/181059835.db2.gz MCJNXCOLFBZYNX-OAHLLOKOSA-N 0 0 301.365 3.934 50 0 DHAARN O=C1C=C(N2CCCC[C@@H]2c2cccnc2)C2(CCCCC2)O1 ZINC000003999507 181060213 /nfs/dbraw/zinc/06/02/13/181060213.db2.gz NVFHQMKDKYZVJZ-MRXNPFEDSA-N 0 0 312.413 3.752 50 0 biogenic DHAARN CCOC(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000004002582 181061264 /nfs/dbraw/zinc/06/12/64/181061264.db2.gz FGFBIZHOWRUWAI-OUKQBFOZSA-N 0 0 306.365 3.770 50 0 DHAARN CN(Cc1ccccc1)C(=O)c1ccccc1Br ZINC000004010838 181061876 /nfs/dbraw/zinc/06/18/76/181061876.db2.gz CGYAEGNOMBJVDQ-UHFFFAOYSA-N 0 0 304.187 3.721 50 0 DHAARN COc1ccc([C@@H](CC(=O)NCc2ccco2)C(C)C)cc1 ZINC000004043359 181066848 /nfs/dbraw/zinc/06/68/48/181066848.db2.gz QGVADWWYMLEDGF-KRWDZBQOSA-N 0 0 301.386 3.734 50 0 biogenic DHAARN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000004019332 181062747 /nfs/dbraw/zinc/06/27/47/181062747.db2.gz DBXPNVANMQOOSH-XXHBBNRNSA-N 0 0 310.180 3.529 50 0 DHAARN CCOC(=O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000004090844 181072231 /nfs/dbraw/zinc/07/22/31/181072231.db2.gz ISCGEVPPTQEWBV-UHFFFAOYSA-N 0 0 312.369 3.712 50 0 DHAARN COc1ccccc1NC(=O)CSc1c[nH]c2ccccc12 ZINC000004108477 181074129 /nfs/dbraw/zinc/07/41/29/181074129.db2.gz ZHNXELSKOQIUFZ-UHFFFAOYSA-N 0 0 312.394 3.907 50 0 DHAARN CCOC(=O)COc1cc(-n2cccc2)c(Cl)cc1Cl ZINC000004053025 181067224 /nfs/dbraw/zinc/06/72/24/181067224.db2.gz JUOWLUGULZFVBU-UHFFFAOYSA-N 0 0 314.168 3.726 50 0 DHAARN Cn1nc(Oc2ccc(C(F)(F)F)cn2)cc1C(F)(F)F ZINC000004052131 181067276 /nfs/dbraw/zinc/06/72/76/181067276.db2.gz XXOCVKVWCDSPSB-UHFFFAOYSA-N 0 0 311.185 3.645 50 0 DHAARN Cc1ccc(C)c(Cn2cc(SCC(N)=O)c3ccccc32)c1 ZINC000004060948 181067938 /nfs/dbraw/zinc/06/79/38/181067938.db2.gz DUXSCMBCMMOXII-UHFFFAOYSA-N 0 0 324.449 3.884 50 0 DHAARN O=C(/C=C/c1cccs1)Nc1nc(-c2ccccn2)cs1 ZINC000004059125 181068044 /nfs/dbraw/zinc/06/80/44/181068044.db2.gz ZIUQIINODRFTPI-VOTSOKGWSA-N 0 0 313.407 3.919 50 0 DHAARN Fc1cccc2sc(N3CCN(c4ccccc4)CC3)nc21 ZINC000004061312 181068331 /nfs/dbraw/zinc/06/83/31/181068331.db2.gz NRJNMOKPGJQGRQ-UHFFFAOYSA-N 0 0 313.401 3.762 50 0 DHAARN Cc1c(C(=O)C(=O)Nc2cccc(C)c2)c2ccccc2n1C ZINC000004062596 181068852 /nfs/dbraw/zinc/06/88/52/181068852.db2.gz KBDAHZWWGMBBPV-UHFFFAOYSA-N 0 0 306.365 3.617 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1ccc(Br)s1 ZINC000004076712 181070676 /nfs/dbraw/zinc/07/06/76/181070676.db2.gz OUHGSWGOCKISOB-UHFFFAOYSA-N 0 0 300.152 3.902 50 0 DHAARN Cc1ccc(CSC2=NCCN2C(=O)c2cccs2)cc1 ZINC000004120416 181075994 /nfs/dbraw/zinc/07/59/94/181075994.db2.gz SWAHOWXZIZHKGD-UHFFFAOYSA-N 0 0 316.451 3.802 50 0 DHAARN Cc1nc2ccccn2c1-c1csc(Nc2ccccn2)n1 ZINC000004133860 181077119 /nfs/dbraw/zinc/07/71/19/181077119.db2.gz UJFZALNCBNVRJJ-UHFFFAOYSA-N 0 0 307.382 3.905 50 0 DHAARN CCOC(=O)N=c1[nH]c2ccc(Br)cc2s1 ZINC000004144980 181079239 /nfs/dbraw/zinc/07/92/39/181079239.db2.gz KCAFKDWDQKJQDD-UHFFFAOYSA-N 0 0 301.165 3.627 50 0 DHAARN C[C@H]1C[C@@H](NC(=O)C(=O)c2c[nH]c3ccccc23)CC(C)(C)C1 ZINC000004163122 181080104 /nfs/dbraw/zinc/08/01/04/181080104.db2.gz WZWPIRFFPJNBMH-QWHCGFSZSA-N 0 0 312.413 3.682 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(C)cc1C ZINC000004163688 181080335 /nfs/dbraw/zinc/08/03/35/181080335.db2.gz MXXXOGGKAPVPJP-UHFFFAOYSA-N 0 0 306.365 3.915 50 0 DHAARN CC(C)C(=O)N(C)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004223340 181086152 /nfs/dbraw/zinc/08/61/52/181086152.db2.gz ZHNYWGVHWHAJRW-UHFFFAOYSA-N 0 0 319.474 3.625 50 0 DHAARN COc1ccc(C(=O)CSc2nc(C)nc3ccccc32)cc1 ZINC000004240873 181086720 /nfs/dbraw/zinc/08/67/20/181086720.db2.gz HBEQOBBFJNRZOX-UHFFFAOYSA-N 0 0 324.405 3.922 50 0 DHAARN COc1nc2c(C)cccc2cc1-c1noc(-c2ccncc2)n1 ZINC000004295376 181093819 /nfs/dbraw/zinc/09/38/19/181093819.db2.gz AZNMSZGGYDFELM-UHFFFAOYSA-N 0 0 318.336 3.664 50 0 DHAARN O=C(C1CC1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304753 181094974 /nfs/dbraw/zinc/09/49/74/181094974.db2.gz ACQKPGNZZNSYSR-UHFFFAOYSA-N 0 0 309.394 3.635 50 0 DHAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cccs1 ZINC000004305432 181095060 /nfs/dbraw/zinc/09/50/60/181095060.db2.gz UEZZHKZUEBFSLL-UHFFFAOYSA-N 0 0 308.211 3.856 50 0 DHAARN Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccco2)S3)c1 ZINC000004268686 181089881 /nfs/dbraw/zinc/08/98/81/181089881.db2.gz ORQRNSBWLNWSPD-ZDUSSCGKSA-N 0 0 311.366 3.724 50 0 DHAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1nc[nH]n1 ZINC000004272379 181090618 /nfs/dbraw/zinc/09/06/18/181090618.db2.gz BKTZLHNYEJDQDF-UHFFFAOYSA-N 0 0 314.732 3.503 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)C1CCCCC1 ZINC000004275913 181091275 /nfs/dbraw/zinc/09/12/75/181091275.db2.gz BIMNWGYMQFOBIP-UHFFFAOYSA-N 0 0 305.765 3.909 50 0 DHAARN Cc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000004275889 181091695 /nfs/dbraw/zinc/09/16/95/181091695.db2.gz DFRCONDPYSGSJT-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN CN1C(=S)N=NC1CSc1ccnc2cc(Cl)ccc21 ZINC000004287737 181092987 /nfs/dbraw/zinc/09/29/87/181092987.db2.gz CMIUIVMFUDYLGS-UHFFFAOYSA-N 0 0 322.846 3.598 50 0 DHAARN Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(C)c(C)c1 ZINC000004315609 181096747 /nfs/dbraw/zinc/09/67/47/181096747.db2.gz YSUZRJKJXCQWRU-UHFFFAOYSA-N 0 0 324.359 3.584 50 0 DHAARN Cc1ccc(C)c(CSc2[nH]c(=O)nc3c2CCCC3)c1 ZINC000004317110 181096959 /nfs/dbraw/zinc/09/69/59/181096959.db2.gz QMMNIIQVSONZFB-UHFFFAOYSA-N 0 0 300.427 3.558 50 0 DHAARN CN(C)C(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 ZINC000004340199 181100018 /nfs/dbraw/zinc/10/00/18/181100018.db2.gz GYOONAXLKYIKJS-UHFFFAOYSA-N 0 0 309.321 3.520 50 0 biogenic DHAARN CC[C@]1(C)OC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]21C ZINC000004343229 181100504 /nfs/dbraw/zinc/10/05/04/181100504.db2.gz BVFFIQUSWRYADH-ZWKOTPCHSA-N 0 0 314.385 3.569 50 0 DHAARN CCCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1 ZINC000004419120 181108136 /nfs/dbraw/zinc/10/81/36/181108136.db2.gz BJLVEDWRYREAFQ-UHFFFAOYSA-N 0 0 324.424 3.788 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Cc1cccc(NC(=O)C(=S)N[C@@H](C)c2ccccc2)c1C ZINC000004825606 181157820 /nfs/dbraw/zinc/15/78/20/181157820.db2.gz BIKLCMUWJBMUEE-AWEZNQCLSA-N 0 0 312.438 3.920 50 0 DHAARN Cc1cccc(NC(=O)C(=S)N[C@H](C)c2ccccc2)c1C ZINC000004825608 181157831 /nfs/dbraw/zinc/15/78/31/181157831.db2.gz BIKLCMUWJBMUEE-CQSZACIVSA-N 0 0 312.438 3.920 50 0 DHAARN Cc1ccc2oc(-c3ccc(NC(=O)[C@@H]4CCCO4)cc3)nc2c1 ZINC000004828470 181158033 /nfs/dbraw/zinc/15/80/33/181158033.db2.gz UIAJQUMGMHCKAH-KRWDZBQOSA-N 0 0 322.364 3.921 50 0 DHAARN CCc1ccc(OCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000004840189 181160475 /nfs/dbraw/zinc/16/04/75/181160475.db2.gz ISVZXHIIYJVEJH-UHFFFAOYSA-N 0 0 310.353 3.887 50 0 DHAARN O=C(NCc1ccco1)c1cc2cc(Br)ccc2o1 ZINC000004840487 181160610 /nfs/dbraw/zinc/16/06/10/181160610.db2.gz HZDGNHVTXSWJJS-UHFFFAOYSA-N 0 0 320.142 3.718 50 0 DHAARN Cc1ccnc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000004841234 181161049 /nfs/dbraw/zinc/16/10/49/181161049.db2.gz VRNVBZRWVFXKIR-LBPRGKRZSA-N 0 0 304.777 3.758 50 0 DHAARN Cc1ccc(C(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1 ZINC000004865731 181165138 /nfs/dbraw/zinc/16/51/38/181165138.db2.gz BPGISOZIIXSTKL-UHFFFAOYSA-N 0 0 317.392 3.559 50 0 DHAARN c1ccc(CCc2nnc3sc(-c4ccccc4)nn23)cc1 ZINC000004866784 181165862 /nfs/dbraw/zinc/16/58/62/181165862.db2.gz QFFYSZISVJLJSV-UHFFFAOYSA-N 0 0 306.394 3.638 50 0 DHAARN O=C(CC[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1 ZINC000004867181 181165903 /nfs/dbraw/zinc/16/59/03/181165903.db2.gz YQDPXILXSGTPAV-CQSZACIVSA-N 0 0 317.772 3.899 50 0 DHAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(OC)cc1 ZINC000004900444 181170455 /nfs/dbraw/zinc/17/04/55/181170455.db2.gz KUIYEAHGTGQSLQ-UHFFFAOYSA-N 0 0 309.369 3.707 50 0 DHAARN Cc1cc2c(nc(-c3ccccc3Br)oc2=O)s1 ZINC000004910288 181172373 /nfs/dbraw/zinc/17/23/73/181172373.db2.gz ANAMDTZYLYXCBT-UHFFFAOYSA-N 0 0 322.183 3.987 50 0 DHAARN O=C1c2ccccc2[C@H](Nc2ccc(F)cc2)N1c1cccnc1 ZINC000004917940 181173122 /nfs/dbraw/zinc/17/31/22/181173122.db2.gz HQKSDNYVPSVCPM-GOSISDBHSA-N 0 0 319.339 3.992 50 0 DHAARN CC[C@H](C)[C@H]1C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000074934080 191389281 /nfs/dbraw/zinc/38/92/81/191389281.db2.gz ZVFWBZMTIDWKNV-UCLAIMLFSA-N 0 0 323.392 3.799 50 0 DHAARN CCSC[C@@H]1COC(c2cccn2Cc2ccccc2F)=N1 ZINC000004970658 181181110 /nfs/dbraw/zinc/18/11/10/181181110.db2.gz NZBVHCKYLDWDLK-AWEZNQCLSA-N 0 0 318.417 3.574 50 0 DHAARN Cc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000004969568 181181240 /nfs/dbraw/zinc/18/12/40/181181240.db2.gz LCAOMLCEYTTXNK-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN CSCC[C@@H]1COC(c2cccn2Cc2cccc(F)c2)=N1 ZINC000004970743 181181728 /nfs/dbraw/zinc/18/17/28/181181728.db2.gz WXLAXPIVKJFWND-OAHLLOKOSA-N 0 0 318.417 3.574 50 0 DHAARN O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4F)o3)cc2[nH]1 ZINC000004973804 181182116 /nfs/dbraw/zinc/18/21/16/181182116.db2.gz YLWAWHGTITYCQQ-UHFFFAOYSA-N 0 0 323.327 3.867 50 0 aggregator DHAARN c1cnc2nc(-c3ccc(NCc4cccnc4)cc3)oc2c1 ZINC000004973791 181182168 /nfs/dbraw/zinc/18/21/68/181182168.db2.gz HJISGICYJWCLPZ-UHFFFAOYSA-N 0 0 302.337 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DHAARN CC(C)CC(=O)NCCc1csc(-c2cccc(F)c2)n1 ZINC000005137475 181208290 /nfs/dbraw/zinc/20/82/90/181208290.db2.gz FDCQUGZPEMLNGW-UHFFFAOYSA-N 0 0 306.406 3.654 50 0 DHAARN Cc1ccc(NC(=O)Cn2cc3c(n2)CC[C@H](C)C3)c(Cl)c1 ZINC000005148368 181209459 /nfs/dbraw/zinc/20/94/59/181209459.db2.gz ZVHMANRXQXKAAT-NSHDSACASA-N 0 0 317.820 3.608 50 0 DHAARN CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C ZINC000005149011 181209610 /nfs/dbraw/zinc/20/96/10/181209610.db2.gz OMKFAMKLPXXCQM-UHFFFAOYSA-N 0 0 320.392 3.780 50 0 DHAARN Cc1nc(SCc2cccc(C(F)(F)F)c2)[nH]c(=O)c1C ZINC000005155305 181211258 /nfs/dbraw/zinc/21/12/58/181211258.db2.gz GXHLTHJDGVSOCQ-UHFFFAOYSA-N 0 0 314.332 3.698 50 0 DHAARN CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000005171565 181213382 /nfs/dbraw/zinc/21/33/82/181213382.db2.gz KBVAKUYVTPZFPR-UHFFFAOYSA-N 0 0 305.381 3.678 50 0 DHAARN Cc1ccc2cccc(OCC(=O)N[C@@H](C)c3ccccc3)c2n1 ZINC000005198650 181215605 /nfs/dbraw/zinc/21/56/05/181215605.db2.gz DMXJKQKQNCLFEN-HNNXBMFYSA-N 0 0 320.392 3.799 50 0 DHAARN COc1ccc(C[C@H](C)CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000005170673 181213161 /nfs/dbraw/zinc/21/31/61/181213161.db2.gz OCCLDECMPRZCBW-AWEZNQCLSA-N 0 0 313.397 3.911 50 0 biogenic DHAARN CCN(c1ccc(NC(=O)c2c(C)noc2C)cc1)C(C)C ZINC000005200322 181216490 /nfs/dbraw/zinc/21/64/90/181216490.db2.gz JDMBIJBMEDWVTB-UHFFFAOYSA-N 0 0 301.390 3.778 50 0 DHAARN O=C(CCn1cnc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000005209872 181217003 /nfs/dbraw/zinc/21/70/03/181217003.db2.gz JSWHPCJGZCJECC-UHFFFAOYSA-N 0 0 317.751 3.858 50 0 DHAARN Cc1nc2ccccc2n1CCC(=O)N[C@H](C)c1ccccc1 ZINC000005209165 181217066 /nfs/dbraw/zinc/21/70/66/181217066.db2.gz PEXAOMHRVJFUGN-CQSZACIVSA-N 0 0 307.397 3.612 50 0 DHAARN CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1sc(C)nc1C ZINC000078768546 191928361 /nfs/dbraw/zinc/92/83/61/191928361.db2.gz WBRBFJYLXLVMEV-OAHLLOKOSA-N 0 0 321.490 3.693 50 0 DHAARN Cn1cc(NC(=O)NCCCc2ccccc2)c2ccccc21 ZINC000005265727 181224495 /nfs/dbraw/zinc/22/44/95/181224495.db2.gz AKJYSXAWLBVLBA-UHFFFAOYSA-N 0 0 307.397 3.933 50 0 DHAARN O=C1N[C@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CCC3 ZINC000005241190 181220658 /nfs/dbraw/zinc/22/06/58/181220658.db2.gz HWCIBADVEGRJGX-ZDUSSCGKSA-N 0 0 304.802 3.744 50 0 DHAARN C[C@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(N)=O ZINC000005263333 181223388 /nfs/dbraw/zinc/22/33/88/181223388.db2.gz FKFMGJKZYSTHBL-ZDUSSCGKSA-N 0 0 323.421 3.505 50 0 DHAARN CCCc1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000005261281 181223585 /nfs/dbraw/zinc/22/35/85/181223585.db2.gz YMFLQZWDXWYAMX-UHFFFAOYSA-N 0 0 312.413 3.723 50 0 DHAARN C[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(N)=O ZINC000005263335 181223715 /nfs/dbraw/zinc/22/37/15/181223715.db2.gz FKFMGJKZYSTHBL-CYBMUJFWSA-N 0 0 323.421 3.505 50 0 DHAARN CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000005374006 181235755 /nfs/dbraw/zinc/23/57/55/181235755.db2.gz APLNNEHORUAIBJ-UHFFFAOYSA-N 0 0 314.410 3.690 50 0 DHAARN COc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1OC ZINC000005393958 181238958 /nfs/dbraw/zinc/23/89/58/181238958.db2.gz PVOQKCHJJSIZJF-QGZVFWFLSA-N 0 0 312.413 3.826 50 0 DHAARN CSc1nc(C)c(CCC(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000005403587 181239232 /nfs/dbraw/zinc/23/92/32/181239232.db2.gz PTPPZJATNCCJCT-UHFFFAOYSA-N 0 0 319.405 3.526 50 0 DHAARN Cc1ccc(C(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000005400013 181239704 /nfs/dbraw/zinc/23/97/04/181239704.db2.gz VVEKGHBNLQCSDL-AWEZNQCLSA-N 0 0 321.376 3.833 50 0 DHAARN Cc1cccc(Cn2nc(-c3cc(C)ccc3C)ccc2=O)c1 ZINC000005409920 181240345 /nfs/dbraw/zinc/24/03/45/181240345.db2.gz CRCCKJXOHHHMEV-UHFFFAOYSA-N 0 0 304.393 3.884 50 0 DHAARN COc1ccc(OC)c(NC(=O)Nc2c[nH]c3ccccc23)c1 ZINC000005299976 181227709 /nfs/dbraw/zinc/22/77/09/181227709.db2.gz GZPOUWXGNSFSPU-UHFFFAOYSA-N 0 0 311.341 3.829 50 0 DHAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2ccccc2)c1C ZINC000005326300 181229749 /nfs/dbraw/zinc/22/97/49/181229749.db2.gz WGGYZACMNASVGB-CYBMUJFWSA-N 0 0 315.369 3.726 50 0 DHAARN Cc1ccc(N2C(=O)S[C@@H](Nc3cccc(F)c3)C2=O)cc1 ZINC000005346687 181232620 /nfs/dbraw/zinc/23/26/20/181232620.db2.gz JEAYLHDFSQNMES-CQSZACIVSA-N 0 0 316.357 3.772 50 0 DHAARN COc1ccc2[nH]c(C(=O)N3CCc4ccccc43)c(C)c2c1 ZINC000005348663 181233057 /nfs/dbraw/zinc/23/30/57/181233057.db2.gz YKMKXUMGTOSYLT-UHFFFAOYSA-N 0 0 306.365 3.688 50 0 DHAARN O=C(Nc1ccc(Br)cn1)c1ccc(Cl)s1 ZINC000005446760 181244322 /nfs/dbraw/zinc/24/43/22/181244322.db2.gz VLKNXEBDPSCLSC-UHFFFAOYSA-N 0 0 317.595 3.811 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005443865 181244358 /nfs/dbraw/zinc/24/43/58/181244358.db2.gz OUMFGHOHCXVQHD-IHWZXDPASA-N 0 0 302.418 3.626 50 0 DHAARN O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1cccs1 ZINC000005484601 181248579 /nfs/dbraw/zinc/24/85/79/181248579.db2.gz PIKCKMRCXZKLCB-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN CCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000005524960 181253211 /nfs/dbraw/zinc/25/32/11/181253211.db2.gz JNXCKWVCYQDYBI-UHFFFAOYSA-N 0 0 308.447 3.635 50 0 DHAARN CCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1 ZINC000005545858 181255327 /nfs/dbraw/zinc/25/53/27/181255327.db2.gz DBMLACHGRBKUJC-UHFFFAOYSA-N 0 0 321.424 3.543 50 0 DHAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2)cc1OCC ZINC000005510606 181250998 /nfs/dbraw/zinc/25/09/98/181250998.db2.gz GGDPGMIRDCXRDA-AWEZNQCLSA-N 0 0 313.397 3.975 50 0 DHAARN CCOC(=O)CSc1nc(CC)nc2c3ccccc3oc21 ZINC000005575899 181259160 /nfs/dbraw/zinc/25/91/60/181259160.db2.gz UEEMLZRBPVLDDL-UHFFFAOYSA-N 0 0 316.382 3.594 50 0 DHAARN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(C)oc2C)cs1 ZINC000080818473 192192807 /nfs/dbraw/zinc/19/28/07/192192807.db2.gz FUBGJBVUSRGXBP-GFCCVEGCSA-N 0 0 322.430 3.723 50 0 DHAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCc2ccccc21 ZINC000005628814 181265480 /nfs/dbraw/zinc/26/54/80/181265480.db2.gz OLMLDIRBHKXGEK-GFCCVEGCSA-N 0 0 324.405 3.898 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Cl)c1 ZINC000005609808 181263467 /nfs/dbraw/zinc/26/34/67/181263467.db2.gz KHORONUZZQFVEJ-UHFFFAOYSA-N 0 0 303.745 3.687 50 0 DHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC000005614582 181263928 /nfs/dbraw/zinc/26/39/28/181263928.db2.gz FMJNBFSREDIYNU-UHFFFAOYSA-N 0 0 320.864 3.877 50 0 DHAARN COc1cc(C)c(NC(=O)/C=C/c2ccc(C)cc2)cc1OC ZINC000005616537 181264006 /nfs/dbraw/zinc/26/40/06/181264006.db2.gz RYAOZCJFWOTLNU-MDZDMXLPSA-N 0 0 311.381 3.973 50 0 DHAARN C[C@@H](NC(=O)CSc1ccccn1)c1ccccc1Cl ZINC000005622506 181264504 /nfs/dbraw/zinc/26/45/04/181264504.db2.gz CQHKQPQJHIKCOS-LLVKDONJSA-N 0 0 306.818 3.705 50 0 DHAARN C[C@@H](Sc1nc2ccccc2o1)c1nc2ccccc2c(=O)[nH]1 ZINC000005629033 181265966 /nfs/dbraw/zinc/26/59/66/181265966.db2.gz KCSSNBOYAJPHQI-SNVBAGLBSA-N 0 0 323.377 3.918 50 0 DHAARN CCn1nc(C)c(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000005658781 181268739 /nfs/dbraw/zinc/26/87/39/181268739.db2.gz MTZPJXLNQQFIBO-UHFFFAOYSA-N 0 0 316.449 3.610 50 0 DHAARN Cc1ccc(Cc2cnc(NC(=O)c3cccnc3)s2)cc1 ZINC000005698822 181274191 /nfs/dbraw/zinc/27/41/91/181274191.db2.gz VVPFJORZBNMEHN-UHFFFAOYSA-N 0 0 309.394 3.690 50 0 DHAARN O=C(CSc1n[nH]c(-c2ccco2)n1)c1c[nH]c2ccccc21 ZINC000005731703 181278622 /nfs/dbraw/zinc/27/86/22/181278622.db2.gz AGGRXXUFSFJSSA-UHFFFAOYSA-N 0 0 324.365 3.521 50 0 DHAARN O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1ccsc1 ZINC000005753814 181280921 /nfs/dbraw/zinc/28/09/21/181280921.db2.gz CFFKOYQYQPHHAS-SDQBBNPISA-N 0 0 321.304 3.694 50 0 DHAARN O=C(NC[C@@H]1CCCO1)/C(=C/c1cccs1)c1ccccc1 ZINC000005771951 181282366 /nfs/dbraw/zinc/28/23/66/181282366.db2.gz IMSNATLFYGIVGM-YSKWHIJTSA-N 0 0 313.422 3.584 50 0 DHAARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000005825344 181286763 /nfs/dbraw/zinc/28/67/63/181286763.db2.gz IEOUKEFPHVLPLB-MLPAPPSSSA-N 0 0 322.408 3.735 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005825586 181287057 /nfs/dbraw/zinc/28/70/57/181287057.db2.gz DKMZNLLUOHHFOR-UHFFFAOYSA-N 0 0 313.188 3.988 50 0 DHAARN Cc1noc(C)c1COC(=O)c1c(Cl)cccc1Cl ZINC000005861322 181290508 /nfs/dbraw/zinc/29/05/08/181290508.db2.gz LZLWJRGBHBSDEU-UHFFFAOYSA-N 0 0 300.141 3.955 50 0 DHAARN O=C(NCc1cccnc1)c1cccc(OCc2ccccc2)c1 ZINC000005899723 181294144 /nfs/dbraw/zinc/29/41/44/181294144.db2.gz YYTGWYXIKGVZPC-UHFFFAOYSA-N 0 0 318.376 3.591 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2 ZINC000005897331 181294293 /nfs/dbraw/zinc/29/42/93/181294293.db2.gz CBIDVSQVLCNMOW-UHFFFAOYSA-N 0 0 314.385 3.506 50 0 DHAARN CCC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000185829870 199892799 /nfs/dbraw/zinc/89/27/99/199892799.db2.gz DTWCAVWLLXTDOC-KRWDZBQOSA-N 0 0 311.381 3.920 50 0 DHAARN CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cnn(C(C)C)c2)C1 ZINC000089274959 192755938 /nfs/dbraw/zinc/75/59/38/192755938.db2.gz VYEHNSDSYDAXRM-ZIAGYGMSSA-N 0 0 310.467 3.602 50 0 DHAARN Cc1cc(F)c(C(=O)Nc2ccccc2-c2ncc[nH]2)cc1F ZINC000089570413 192819439 /nfs/dbraw/zinc/81/94/39/192819439.db2.gz TXJGRCFTQANWRS-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN Cc1cnc(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)s1 ZINC000089702428 192846373 /nfs/dbraw/zinc/84/63/73/192846373.db2.gz RSKXIPISYPAGHD-BXKDBHETSA-N 0 0 323.443 3.507 50 0 DHAARN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc2[nH]ccc21 ZINC000089774347 192864202 /nfs/dbraw/zinc/86/42/02/192864202.db2.gz MCJFNUQFDCAFLC-AWEZNQCLSA-N 0 0 312.413 3.780 50 0 DHAARN CC(C)Oc1ccc(NC(=O)N2CCSCC2)c(Cl)c1 ZINC000187244536 200082580 /nfs/dbraw/zinc/08/25/80/200082580.db2.gz HKZNUFQDEAXAGQ-UHFFFAOYSA-N 0 0 314.838 3.708 50 0 DHAARN COc1ccc2c(c1)[C@H](NCc1cc(C)no1)CCCS2 ZINC000187964171 200184009 /nfs/dbraw/zinc/18/40/09/200184009.db2.gz BNNKFLAGXGHEIV-OAHLLOKOSA-N 0 0 304.415 3.708 50 0 DHAARN CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(O)cc1 ZINC000241693913 202466661 /nfs/dbraw/zinc/46/66/61/202466661.db2.gz QITIVJMUFOTKGP-KRWDZBQOSA-N 0 0 314.772 3.743 50 0 DHAARN O=C(Nc1ccc(C2N=NC(=S)S2)cc1)c1ccccc1 ZINC000006060784 181309455 /nfs/dbraw/zinc/30/94/55/181309455.db2.gz BVRBJTWXXYDTJL-UHFFFAOYSA-N 0 0 313.407 3.746 50 0 DHAARN Fc1cccc(F)c1-c1nnc(-c2ccccc2Cl)nn1 ZINC000006095533 181312674 /nfs/dbraw/zinc/31/26/74/181312674.db2.gz SWBHWUYHHJCADA-UHFFFAOYSA-N 0 0 304.687 3.532 50 0 DHAARN COc1ccc(OC)c(/C=C\C(=O)NC2CCCCCC2)c1 ZINC000006090332 181312160 /nfs/dbraw/zinc/31/21/60/181312160.db2.gz SJCVEBSROSUZAT-XFXZXTDPSA-N 0 0 303.402 3.556 50 0 DHAARN O=C(COc1cccc2cccnc21)Nc1ccc2c(c1)CCC2 ZINC000006128091 181315329 /nfs/dbraw/zinc/31/53/29/181315329.db2.gz WLOMYEBRTVYFKC-UHFFFAOYSA-N 0 0 318.376 3.741 50 0 DHAARN Cc1nnc(CSc2ncnc3sc4c(c32)CCCC4)o1 ZINC000006111797 181313431 /nfs/dbraw/zinc/31/34/31/181313431.db2.gz BTDCQBQWMZFAHV-UHFFFAOYSA-N 0 0 318.427 3.554 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000006152527 181316474 /nfs/dbraw/zinc/31/64/74/181316474.db2.gz RFWAIWZNWZENCK-UHFFFAOYSA-N 0 0 306.365 3.651 50 0 DHAARN CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000006220537 181320604 /nfs/dbraw/zinc/32/06/04/181320604.db2.gz TVBZKYCWEYHIGR-LBPRGKRZSA-N 0 0 317.410 3.597 50 0 DHAARN FC(F)(F)c1cc(Cl)c2nnc(C(F)(F)Cl)n2c1 ZINC000006219685 181320618 /nfs/dbraw/zinc/32/06/18/181320618.db2.gz UWFPWWFHGPKIAY-UHFFFAOYSA-N 0 0 306.021 3.690 50 0 DHAARN Cc1ccc(CNC(=O)c2c(N)sc3c2CC[C@@H](C)C3)cc1 ZINC000006274980 181325214 /nfs/dbraw/zinc/32/52/14/181325214.db2.gz YUDADDRHNJOAIQ-GFCCVEGCSA-N 0 0 314.454 3.694 50 0 DHAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccccc3F)C2)c1 ZINC000089930423 192908760 /nfs/dbraw/zinc/90/87/60/192908760.db2.gz PCVMBADLTQDTRG-GOSISDBHSA-N 0 0 312.344 3.532 50 0 DHAARN Cc1[nH]c2c(cccc2C(=O)N(C)[C@H]2CCOC(C)(C)C2)c1C ZINC000244633497 202487918 /nfs/dbraw/zinc/48/79/18/202487918.db2.gz GECIGBBRZJQIKF-AWEZNQCLSA-N 0 0 314.429 3.814 50 0 DHAARN CCC(CC)n1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2SC)n1 ZINC000089943228 192915781 /nfs/dbraw/zinc/91/57/81/192915781.db2.gz NASSWAKDYKONDJ-CABCVRRESA-N 0 0 309.479 3.600 50 0 DHAARN C[C@H](Nc1nc(-c2ccccn2)nc2c1CCC2)c1ccncc1 ZINC000193375031 201040852 /nfs/dbraw/zinc/04/08/52/201040852.db2.gz ZHVBLRUYRZEDGV-ZDUSSCGKSA-N 0 0 317.396 3.595 50 0 DHAARN O=C(COc1ccccc1Cl)Nc1nc2c(s1)CCCC2 ZINC000006342622 181332535 /nfs/dbraw/zinc/33/25/35/181332535.db2.gz PNSBFVZCWOPIRS-UHFFFAOYSA-N 0 0 322.817 3.693 50 0 DHAARN CCOc1ccc(C(=O)CCC(=O)Nc2cccc(C)c2)cc1 ZINC000006402735 181338593 /nfs/dbraw/zinc/33/85/93/181338593.db2.gz UMMMGYOAAZFRJI-UHFFFAOYSA-N 0 0 311.381 3.995 50 0 DHAARN COc1cc(/C=C2\c3ccccc3N(C)C2=O)cc(Cl)c1O ZINC000006431553 181340776 /nfs/dbraw/zinc/34/07/76/181340776.db2.gz DWCMLBWWEXBESV-KPKJPENVSA-N 0 0 315.756 3.571 50 0 DHAARN Cc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cn2)cn1 ZINC000194449827 201228001 /nfs/dbraw/zinc/22/80/01/201228001.db2.gz NEJPWVQCALLLLX-UHFFFAOYSA-N 0 0 303.365 3.633 50 0 DHAARN Cc1ccsc1[C@H]1CC(=O)Nc2n[nH]c(-c3ccccc3)c21 ZINC000006444613 181341524 /nfs/dbraw/zinc/34/15/24/181341524.db2.gz UFQBFPDOAJPZJP-LBPRGKRZSA-N 0 0 309.394 3.921 50 0 DHAARN Cc1ccnc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)n1 ZINC000194680906 201272621 /nfs/dbraw/zinc/27/26/21/201272621.db2.gz VTXGRZUJKQZHRP-UHFFFAOYSA-N 0 0 322.343 3.602 50 0 DHAARN Cc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)c(O)c1 ZINC000006454120 181342291 /nfs/dbraw/zinc/34/22/91/181342291.db2.gz FQDIOAQNLCIWNI-UHFFFAOYSA-N 0 0 311.381 3.919 50 0 DHAARN COc1cccc(C)c1NC(=O)N1CCC[C@H]1c1cccn1C ZINC000195048700 201331210 /nfs/dbraw/zinc/33/12/10/201331210.db2.gz KZGQVMJGHWDJEX-HNNXBMFYSA-N 0 0 313.401 3.711 50 0 DHAARN Cc1cccc(OCCSc2nnc3[nH]c4ccccc4n32)c1 ZINC000006506647 181347049 /nfs/dbraw/zinc/34/70/49/181347049.db2.gz UHRPWDGEORWLBK-UHFFFAOYSA-N 0 0 324.409 3.690 50 0 DHAARN C/C=C\c1ccc(OCC(=O)NC2CCC(C)CC2)c(OC)c1 ZINC000006502825 181346495 /nfs/dbraw/zinc/34/64/95/181346495.db2.gz CQTVMIXMGLRPSG-PLNGDYQASA-N 0 0 317.429 3.802 50 0 DHAARN Cc1ccc(-c2nnc(S[C@H](C)c3ccccc3)n2N)cc1 ZINC000006510116 181348023 /nfs/dbraw/zinc/34/80/23/181348023.db2.gz XUPPYWFGWFPOHN-CYBMUJFWSA-N 0 0 310.426 3.821 50 0 DHAARN O=S(=O)(Nc1ccccc1F)c1ccccc1C(F)(F)F ZINC000006528668 181350664 /nfs/dbraw/zinc/35/06/64/181350664.db2.gz WIKJJOTYJKSONV-UHFFFAOYSA-N 0 0 319.279 3.645 50 0 DHAARN COc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1F ZINC000006541084 181352611 /nfs/dbraw/zinc/35/26/11/181352611.db2.gz RVHVEBCCGNYSMY-UHFFFAOYSA-N 0 0 306.362 3.696 50 0 DHAARN COC(=O)c1ccccc1NC(=S)Nc1cccc(C)c1C ZINC000006547407 181353337 /nfs/dbraw/zinc/35/33/37/181353337.db2.gz OTTLRUOKISRLIL-UHFFFAOYSA-N 0 0 314.410 3.899 50 0 DHAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1CCc1ccccn1 ZINC000006590340 181358913 /nfs/dbraw/zinc/35/89/13/181358913.db2.gz RPWNEXRTCFTJPF-MRXNPFEDSA-N 0 0 318.829 3.552 50 0 DHAARN COc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1 ZINC000006622343 181361362 /nfs/dbraw/zinc/36/13/62/181361362.db2.gz PKKXPMWFKKVMCG-UHFFFAOYSA-N 0 0 321.376 3.754 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(O)cc2)cc1 ZINC000006660514 181366264 /nfs/dbraw/zinc/36/62/64/181366264.db2.gz GERSLPOLJDOQPG-UHFFFAOYSA-N 0 0 317.352 3.573 50 0 DHAARN CCCCNc1ncnc2c1c(C)c(C)n2Cc1cccnc1 ZINC000006672282 181368509 /nfs/dbraw/zinc/36/85/09/181368509.db2.gz GIZRXVDOJZPPJJ-UHFFFAOYSA-N 0 0 309.417 3.703 50 0 DHAARN O=C(NCCc1ccco1)C(c1ccccc1)c1ccccc1 ZINC000006668190 181368131 /nfs/dbraw/zinc/36/81/31/181368131.db2.gz RPIOKOCKURVRTB-UHFFFAOYSA-N 0 0 305.377 3.770 50 0 DHAARN Cc1cc(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c(C)c1 ZINC000006698591 181372119 /nfs/dbraw/zinc/37/21/19/181372119.db2.gz RNZCAWLLFCNPGY-UHFFFAOYSA-N 0 0 315.320 3.734 50 0 DHAARN Cc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1C(C)C ZINC000006725942 181377373 /nfs/dbraw/zinc/37/73/73/181377373.db2.gz HEXCSQCYXUVFFX-UHFFFAOYSA-N 0 0 318.446 3.515 50 0 DHAARN COc1cc(C(N)=O)cc(Cl)c1OC/C=C/c1ccccc1 ZINC000006729135 181378267 /nfs/dbraw/zinc/37/82/67/181378267.db2.gz KVATWMJBIRBNCP-VMPITWQZSA-N 0 0 317.772 3.540 50 0 DHAARN COc1ccc([C@H](C)NC(=O)CCC2CCCC2)cc1OC ZINC000006731016 181379222 /nfs/dbraw/zinc/37/92/22/181379222.db2.gz YEXDJSVNRJOXCJ-ZDUSSCGKSA-N 0 0 305.418 3.851 50 0 DHAARN Cc1cccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)n2)c1 ZINC000006746914 181381834 /nfs/dbraw/zinc/38/18/34/181381834.db2.gz ITHVIBURMAYLIA-CYBMUJFWSA-N 0 0 307.353 3.536 50 0 DHAARN COc1cccc(-c2nc3c(c(=O)[nH]2)Cc2ccccc2O3)c1 ZINC000006748405 181382203 /nfs/dbraw/zinc/38/22/03/181382203.db2.gz RBLIYTPWIJXNPR-UHFFFAOYSA-N 0 0 306.321 3.554 50 0 DHAARN COc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(C)ccc2O3)c1 ZINC000006748466 181382608 /nfs/dbraw/zinc/38/26/08/181382608.db2.gz GMBITYFCXHYSPM-UHFFFAOYSA-N 0 0 320.348 3.863 50 0 DHAARN C[C@H]1CCCC[C@H]1Nc1nc2ccc(Cl)cc2n2cnnc12 ZINC000006752060 181383298 /nfs/dbraw/zinc/38/32/98/181383298.db2.gz AYBTYSCPHUKXCY-CMPLNLGQSA-N 0 0 315.808 3.922 50 0 DHAARN Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)n(C)n1 ZINC000006769678 181386172 /nfs/dbraw/zinc/38/61/72/181386172.db2.gz DMVDBZQLFNIGIZ-UHFFFAOYSA-N 0 0 319.408 3.571 50 0 DHAARN CCOc1ccc(Nc2c(=O)c(=O)c2-c2ccc(C)c(C)c2)cc1 ZINC000006791553 181389929 /nfs/dbraw/zinc/38/99/29/181389929.db2.gz FEFIXTFNIYNEFW-UHFFFAOYSA-N 0 0 321.376 3.709 50 0 DHAARN Cc1cc2oc(C(=O)Nc3ccccc3F)cc(=O)c2cc1C ZINC000006811380 181393773 /nfs/dbraw/zinc/39/37/73/181393773.db2.gz MYWOHWSTSXMUTB-UHFFFAOYSA-N 0 0 311.312 3.801 50 0 DHAARN O=C(CCc1ccccc1)Nc1nc(-c2cccnc2)cs1 ZINC000006830367 181396651 /nfs/dbraw/zinc/39/66/51/181396651.db2.gz JQRWOAZLEMVMKS-UHFFFAOYSA-N 0 0 309.394 3.776 50 0 DHAARN COc1ccc(NC(=S)Nc2ccccc2C(C)=O)cc1 ZINC000006831598 181396744 /nfs/dbraw/zinc/39/67/44/181396744.db2.gz XSQHPCOCBJZTLA-UHFFFAOYSA-N 0 0 300.383 3.707 50 0 DHAARN Cc1ccc2onc(CC(=O)Nc3cc(F)ccc3F)c2c1 ZINC000006839453 181397230 /nfs/dbraw/zinc/39/72/30/181397230.db2.gz KUNKCPZEHGUEER-UHFFFAOYSA-N 0 0 302.280 3.596 50 0 DHAARN CCn1cc(CCC(=O)NCc2ccccc2)c2ccccc21 ZINC000006857971 181398785 /nfs/dbraw/zinc/39/87/85/181398785.db2.gz FQOCDYJLHYAWRV-UHFFFAOYSA-N 0 0 306.409 3.910 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)N(C)CCC[C@@H]1CCCO1 ZINC000091519143 193068182 /nfs/dbraw/zinc/06/81/82/193068182.db2.gz SKAUXCLBDHIVGY-CYBMUJFWSA-N 0 0 310.463 3.606 50 0 DHAARN Fc1cnccc1N1CCC(c2nccn2CC2CCC2)CC1 ZINC000091616867 193079370 /nfs/dbraw/zinc/07/93/70/193079370.db2.gz MEKPDKBSFKTVOJ-UHFFFAOYSA-N 0 0 314.408 3.601 50 0 DHAARN Clc1cccc2ccc(-c3cn(Cc4ccoc4)nn3)nc12 ZINC000091678294 193090728 /nfs/dbraw/zinc/09/07/28/193090728.db2.gz YTNQXSDCUFYKOC-UHFFFAOYSA-N 0 0 310.744 3.788 50 0 DHAARN CCCCn1ccnc1C1CCN(C(=O)[C@@H](C)SCC)CC1 ZINC000091746335 193100888 /nfs/dbraw/zinc/10/08/88/193100888.db2.gz QEAOLSUMFHWRDS-CQSZACIVSA-N 0 0 323.506 3.531 50 0 DHAARN CCSCCNC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C ZINC000091966037 193133521 /nfs/dbraw/zinc/13/35/21/193133521.db2.gz CKELKHVZTMBXSL-UHFFFAOYSA-N 0 0 304.459 3.505 50 0 DHAARN Cc1cc(C)n(C2CN(C(=O)c3oc4cc(C)ccc4c3C)C2)n1 ZINC000091966018 193134222 /nfs/dbraw/zinc/13/42/22/193134222.db2.gz IFPFFTFOTHKBHH-UHFFFAOYSA-N 0 0 323.396 3.560 50 0 DHAARN CCCC[C@@H]1C=CCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000215182541 201453879 /nfs/dbraw/zinc/45/38/79/201453879.db2.gz PQCNOOYEETWKTI-GOSISDBHSA-N 0 0 309.413 3.502 50 0 DHAARN C[C@H](c1ccncn1)N(C)Cc1ccccc1OC1CCCC1 ZINC000215608408 201464139 /nfs/dbraw/zinc/46/41/39/201464139.db2.gz JYCVUGDGPOWLAZ-OAHLLOKOSA-N 0 0 311.429 3.991 50 0 DHAARN CCCc1nc(C(=O)N2CCC[C@H]2c2nccs2)cs1 ZINC000092100013 193158185 /nfs/dbraw/zinc/15/81/85/193158185.db2.gz YJVPQHCMUALGQV-NSHDSACASA-N 0 0 307.444 3.529 50 0 DHAARN CCc1ccc(CN(C)C(=O)c2cc(C)ccc2Cl)nc1 ZINC000219324379 201553861 /nfs/dbraw/zinc/55/38/61/201553861.db2.gz UZHXJXXWPRCPSE-UHFFFAOYSA-N 0 0 302.805 3.878 50 0 DHAARN Cc1nnsc1CN(C)Cc1cc(C2CCCCC2)no1 ZINC000252478192 202837057 /nfs/dbraw/zinc/83/70/57/202837057.db2.gz AFIOXYPNKLVZHA-UHFFFAOYSA-N 0 0 306.435 3.514 50 0 DHAARN CCc1ccc(NCc2noc(C3CCOCC3)n2)cc1Cl ZINC000253420858 202880613 /nfs/dbraw/zinc/88/06/13/202880613.db2.gz ZTQGTTZNPNMTRP-UHFFFAOYSA-N 0 0 321.808 3.792 50 0 DHAARN CC(C)(C)c1cnc(CNc2cccc3c2OCC[C@@H]3O)s1 ZINC000253427426 202884101 /nfs/dbraw/zinc/88/41/01/202884101.db2.gz MKIZGDNTCTWYTQ-ZDUSSCGKSA-N 0 0 318.442 3.869 50 0 DHAARN Nc1nnc(SCc2cccc(Cl)c2)n1-c1ccccc1 ZINC000007097925 181438429 /nfs/dbraw/zinc/43/84/29/181438429.db2.gz AMVFJSKTOVXYRE-UHFFFAOYSA-N 0 0 316.817 3.795 50 0 DHAARN CCC(=O)c1ccc(OCc2nc(-c3cccs3)no2)cc1 ZINC000007420107 181464762 /nfs/dbraw/zinc/46/47/62/181464762.db2.gz XMALBXBYMZACFK-UHFFFAOYSA-N 0 0 314.366 3.970 50 0 DHAARN Cc1cnc(NC(=O)C[C@H](c2ccsc2)n2cccc2)s1 ZINC000263587898 203486459 /nfs/dbraw/zinc/48/64/59/203486459.db2.gz MOHBZOVHUOKDLJ-CYBMUJFWSA-N 0 0 317.439 3.933 50 0 DHAARN O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(NC2CC2)nc1 ZINC000095369293 193434732 /nfs/dbraw/zinc/43/47/32/193434732.db2.gz DVLGDBSVMVQJDY-HNNXBMFYSA-N 0 0 321.424 3.506 50 0 DHAARN CCSc1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)cn1 ZINC000095978405 193473084 /nfs/dbraw/zinc/47/30/84/193473084.db2.gz VOOZUPBROAVCAU-JTQLQIEISA-N 0 0 318.446 3.666 50 0 DHAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCC1 ZINC000007794150 181498580 /nfs/dbraw/zinc/49/85/80/181498580.db2.gz IIAVBRVZEGEWCB-UHFFFAOYSA-N 0 0 300.324 3.900 50 0 DHAARN CO[C@H](CNC(=O)CSC1CCCC1)c1ccc(C)s1 ZINC000096104680 193538637 /nfs/dbraw/zinc/53/86/37/193538637.db2.gz ZECFBKYOBDGZSH-CYBMUJFWSA-N 0 0 313.488 3.536 50 0 DHAARN O=C(/C=C/c1ccoc1)NCC1(c2cccs2)CCCC1 ZINC000096120215 193545868 /nfs/dbraw/zinc/54/58/68/193545868.db2.gz BYRGSTMTFMLNRR-AATRIKPKSA-N 0 0 301.411 3.983 50 0 DHAARN O=C(/C=C/c1ccccc1)NCC[C@H](O)c1cc2ccccc2o1 ZINC000096097205 193536047 /nfs/dbraw/zinc/53/60/47/193536047.db2.gz AXBMKVQDYAURKF-DVQDXYAYSA-N 0 0 321.376 3.686 50 0 DHAARN Cc1ccc(-c2ccc(C(=O)N(C)C)cc2)c(-n2cccn2)c1 ZINC000096159666 193555892 /nfs/dbraw/zinc/55/58/92/193555892.db2.gz NEJXPLJCHYIKRF-UHFFFAOYSA-N 0 0 305.381 3.550 50 0 DHAARN C/C=C/C=C\C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000096257212 193604028 /nfs/dbraw/zinc/60/40/28/193604028.db2.gz QCEIWIDGTSLZKT-RMYTXQHPSA-N 0 0 309.413 3.852 50 0 DHAARN C[C@@H](c1ccccc1)[C@@H](CC(N)=O)c1cn(C)c2ccccc12 ZINC000096275846 193608639 /nfs/dbraw/zinc/60/86/39/193608639.db2.gz KNPQERXNURDMQI-WMLDXEAASA-N 0 0 306.409 3.941 50 0 DHAARN O=C(/C=C\c1nccs1)N1CCC[C@H]1CCc1ccccc1 ZINC000096291550 193609541 /nfs/dbraw/zinc/60/95/41/193609541.db2.gz JTESQVJDYTXURZ-SNGWPZLWSA-N 0 0 312.438 3.780 50 0 DHAARN CCC(CC)C(=O)N1CCC(Nc2cccc(OC)c2)CC1 ZINC000096418493 193630046 /nfs/dbraw/zinc/63/00/46/193630046.db2.gz MOAGONZFZKRECZ-UHFFFAOYSA-N 0 0 304.434 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DHAARN COc1ccc(NC(=O)CNc2ccc(C)cc2Cl)cc1 ZINC000007972376 181513003 /nfs/dbraw/zinc/51/30/03/181513003.db2.gz XMLFBZWXAFELDW-UHFFFAOYSA-N 0 0 304.777 3.708 50 0 DHAARN COc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cn1 ZINC000008018192 181519017 /nfs/dbraw/zinc/51/90/17/181519017.db2.gz JURYJJWQYDXJRQ-UHFFFAOYSA-N 0 0 322.364 3.922 50 0 DHAARN COc1ccc(CNC(=O)Cc2coc3c2ccc(C)c3C)cc1 ZINC000008035443 181520964 /nfs/dbraw/zinc/52/09/64/181520964.db2.gz BYQMABMVLNOHAC-UHFFFAOYSA-N 0 0 323.392 3.917 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)Cc1cn2ccsc2n1 ZINC000008281236 181543579 /nfs/dbraw/zinc/54/35/79/181543579.db2.gz JDBONQDENNJIEG-UHFFFAOYSA-N 0 0 305.790 3.539 50 0 DHAARN C[C@@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cn1 ZINC000008150730 181531100 /nfs/dbraw/zinc/53/11/00/181531100.db2.gz WJNLFPWLQBRBRY-SECBINFHSA-N 0 0 310.781 3.993 50 0 DHAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)C(C)(C)C ZINC000008389162 181553507 /nfs/dbraw/zinc/55/35/07/181553507.db2.gz HEDSTWDBMROGSQ-UHFFFAOYSA-N 0 0 318.369 3.741 50 0 DHAARN O=C(OCc1nc2ccccc2o1)c1ccc(OC(F)F)cc1 ZINC000008571962 181565302 /nfs/dbraw/zinc/56/53/02/181565302.db2.gz MMYRJBCARRQOPL-UHFFFAOYSA-N 0 0 319.263 3.786 50 0 DHAARN Cc1cc(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2[nH]1 ZINC000008587463 181566851 /nfs/dbraw/zinc/56/68/51/181566851.db2.gz OTXYVFUYLBLQNT-UHFFFAOYSA-N 0 0 306.365 3.706 50 0 DHAARN c1ccc(Nc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000008706906 181575869 /nfs/dbraw/zinc/57/58/69/181575869.db2.gz HTAVCMZXPOYEKD-UHFFFAOYSA-N 0 0 307.382 3.571 50 0 DHAARN CCOCc1c2ccccc2oc1C(=O)Nc1nc(C)cs1 ZINC000008734081 181580733 /nfs/dbraw/zinc/58/07/33/181580733.db2.gz VSKGTIAWTIGWNC-UHFFFAOYSA-N 0 0 316.382 3.987 50 0 DHAARN C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC(C)(C)C ZINC000008748009 181582040 /nfs/dbraw/zinc/58/20/40/181582040.db2.gz JIJGHVSSZXIYDG-JTQLQIEISA-N 0 0 322.405 3.876 50 0 DHAARN C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC(C)(C)C ZINC000008748011 181582553 /nfs/dbraw/zinc/58/25/53/181582553.db2.gz JIJGHVSSZXIYDG-SNVBAGLBSA-N 0 0 322.405 3.876 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 ZINC000008753974 181583619 /nfs/dbraw/zinc/58/36/19/181583619.db2.gz ZXQZRSVQRRSGJN-OAHLLOKOSA-N 0 0 306.409 3.848 50 0 biogenic DHAARN O=C(Nc1ccccc1OCc1ccccc1)c1ccncc1 ZINC000008905865 181590438 /nfs/dbraw/zinc/59/04/38/181590438.db2.gz NDJRHTSKABZVGI-UHFFFAOYSA-N 0 0 304.349 3.913 50 0 DHAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ccc(F)cc1 ZINC000009159934 181605437 /nfs/dbraw/zinc/60/54/37/181605437.db2.gz KSCRUKWSDPSRQE-UHFFFAOYSA-N 0 0 321.373 3.819 50 0 DHAARN Cc1ccc(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)c(C)c1 ZINC000009273446 181611490 /nfs/dbraw/zinc/61/14/90/181611490.db2.gz CVRSUGVPAOHGOC-UHFFFAOYSA-N 0 0 311.768 3.963 50 0 DHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(CC)c2)c1C ZINC000009290229 181611974 /nfs/dbraw/zinc/61/19/74/181611974.db2.gz WWCUUASXLXPYJV-UHFFFAOYSA-N 0 0 314.385 3.623 50 0 DHAARN Cc1ccccc1[C@H]1CC(=O)Nc2n[nH]c(-c3ccccc3)c21 ZINC000009546547 181628619 /nfs/dbraw/zinc/62/86/19/181628619.db2.gz BYYBPZUMDXGJQF-OAHLLOKOSA-N 0 0 303.365 3.859 50 0 DHAARN c1ccc(N=C2NN=C(c3ccc4c(c3)CCO4)CS2)cc1 ZINC000009339212 181616258 /nfs/dbraw/zinc/61/62/58/181616258.db2.gz COZILWASONMEIB-UHFFFAOYSA-N 0 0 309.394 3.541 50 0 DHAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000009356009 181616915 /nfs/dbraw/zinc/61/69/15/181616915.db2.gz QXQRGLOVYZLBQJ-AWEZNQCLSA-N 0 0 310.397 3.776 50 0 DHAARN CC1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000009366438 181618195 /nfs/dbraw/zinc/61/81/95/181618195.db2.gz HEJZGRHHSVPOAL-UHFFFAOYSA-N 0 0 307.393 3.790 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1F ZINC000009366760 181618398 /nfs/dbraw/zinc/61/83/98/181618398.db2.gz TZNXCEBSEDGMAR-UHFFFAOYSA-N 0 0 311.259 3.688 50 0 DHAARN CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1 ZINC000009427378 181621643 /nfs/dbraw/zinc/62/16/43/181621643.db2.gz RCIWZPNJEZIXSH-UHFFFAOYSA-N 0 0 320.392 3.581 50 0 DHAARN COC(=O)c1cc2c3cc(Br)ccc3n(C)c2s1 ZINC000009469280 181623769 /nfs/dbraw/zinc/62/37/69/181623769.db2.gz KDDYACYTYNJHPU-UHFFFAOYSA-N 0 0 324.199 3.942 50 0 DHAARN c1csc(-c2nn3c(CCc4ccccc4)nnc3s2)c1 ZINC000009050391 181598511 /nfs/dbraw/zinc/59/85/11/181598511.db2.gz YWWWTURBYKAHBV-UHFFFAOYSA-N 0 0 312.423 3.700 50 0 DHAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000009061968 181599511 /nfs/dbraw/zinc/59/95/11/181599511.db2.gz RGQWKKSOOKGHHX-SECBINFHSA-N 0 0 322.257 3.722 50 0 DHAARN O=C(Nc1ccnn1Cc1ccsc1)c1cc2ccccc2o1 ZINC000009112359 181601678 /nfs/dbraw/zinc/60/16/78/181601678.db2.gz JRCZSUDFUZEENA-UHFFFAOYSA-N 0 0 323.377 3.991 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1ccccc1OC[C@H]1CCCO1 ZINC000009114615 181602407 /nfs/dbraw/zinc/60/24/07/181602407.db2.gz FKPWLOFFYKTHAH-OAHLLOKOSA-N 0 0 315.344 3.636 50 0 DHAARN O=C(NCc1ccccn1)c1ccc(COc2ccccc2)cc1 ZINC000010052230 181655257 /nfs/dbraw/zinc/65/52/57/181655257.db2.gz XJBAJRQGANLSMV-UHFFFAOYSA-N 0 0 318.376 3.591 50 0 DHAARN COc1ccc(CCCC(=O)N2CCc3ccccc32)cc1C ZINC000009615099 181631896 /nfs/dbraw/zinc/63/18/96/181631896.db2.gz HFYBHXUVRZOIFR-UHFFFAOYSA-N 0 0 309.409 3.916 50 0 DHAARN O=C(COC(=O)c1cc2c(s1)CCCCCC2)c1ccc[nH]1 ZINC000009813291 181641648 /nfs/dbraw/zinc/64/16/48/181641648.db2.gz WLKZILLPUYKFRR-UHFFFAOYSA-N 0 0 317.410 3.775 50 0 DHAARN CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000009827750 181642257 /nfs/dbraw/zinc/64/22/57/181642257.db2.gz HMTDQUVZMDBIPW-UHFFFAOYSA-N 0 0 324.380 3.611 50 0 DHAARN CC(=O)c1cccc(NC(=O)CSc2ncccc2Cl)c1 ZINC000011033276 181684321 /nfs/dbraw/zinc/68/43/21/181684321.db2.gz ZNYZVQLEMUROJR-UHFFFAOYSA-N 0 0 320.801 3.668 50 0 DHAARN CCCCc1nnc2sc(Cc3ccc(Cl)cc3)nn12 ZINC000011278081 181688013 /nfs/dbraw/zinc/68/80/13/181688013.db2.gz YAAVVFMOFBRLGY-UHFFFAOYSA-N 0 0 306.822 3.773 50 0 DHAARN CCOc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000010221331 181661631 /nfs/dbraw/zinc/66/16/31/181661631.db2.gz VDUIWSJFTGMSBO-UHFFFAOYSA-N 0 0 309.409 3.937 50 0 DHAARN O=C(NCC1(c2ccccc2)CCC1)C1=Cc2ccccc2OC1 ZINC000010221930 181661734 /nfs/dbraw/zinc/66/17/34/181661734.db2.gz QIBQQAYHWPVUSO-UHFFFAOYSA-N 0 0 319.404 3.701 50 0 DHAARN O=C(C[C@H]1C=CCC1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011361227 181689936 /nfs/dbraw/zinc/68/99/36/181689936.db2.gz PMFOLQLPTWZHFR-ZDUSSCGKSA-N 0 0 310.353 3.827 50 0 DHAARN COc1cc2nc(Cl)nc(N3CCC[C@H](C)C3)c2cc1OC ZINC000011756901 181704245 /nfs/dbraw/zinc/70/42/45/181704245.db2.gz DREVHRMGZRFWQO-JTQLQIEISA-N 0 0 321.808 3.537 50 0 DHAARN O=C(Nc1nc2c(s1)CCCC2)[C@H]1Cc2ccccc2S1 ZINC000012255769 181744361 /nfs/dbraw/zinc/74/43/61/181744361.db2.gz AISAURATHZPAOX-CQSZACIVSA-N 0 0 316.451 3.677 50 0 DHAARN O=C(NCCC1=CCCCC1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000012507543 181768328 /nfs/dbraw/zinc/76/83/28/181768328.db2.gz FBABNGDSEZQRKS-UHFFFAOYSA-N 0 0 313.376 3.836 50 0 DHAARN Fc1ccc(Oc2ncccc2CNc2ncccn2)c(F)c1 ZINC000012315820 181748612 /nfs/dbraw/zinc/74/86/12/181748612.db2.gz LCSXWFMIUZBTMV-UHFFFAOYSA-N 0 0 314.295 3.554 50 0 DHAARN CC(C)Cn1c2ccccc2nc1[C@@H](C)NC(=O)C(C)(C)C ZINC000012382415 181754278 /nfs/dbraw/zinc/75/42/78/181754278.db2.gz ATMFAJJJPQABEN-CYBMUJFWSA-N 0 0 301.434 3.916 50 0 DHAARN CC(C)(C)CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012381430 181754398 /nfs/dbraw/zinc/75/43/98/181754398.db2.gz RDPWXIROTAYCSU-UHFFFAOYSA-N 0 0 302.418 3.687 50 0 DHAARN CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)cs1 ZINC000012382884 181754585 /nfs/dbraw/zinc/75/45/85/181754585.db2.gz QBLKVVYOLJRXCE-UHFFFAOYSA-N 0 0 303.383 3.895 50 0 DHAARN CCN(CC)c1ccc(CCNC(=O)Nc2ccccc2)cc1 ZINC000012411791 181758546 /nfs/dbraw/zinc/75/85/46/181758546.db2.gz GRUJVFFMUCECMQ-UHFFFAOYSA-N 0 0 311.429 3.897 50 0 DHAARN Cc1ccc(C2=CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 ZINC000012556789 181776831 /nfs/dbraw/zinc/77/68/31/181776831.db2.gz BNGMPCMSXWWEAW-UHFFFAOYSA-N 0 0 317.392 3.801 50 0 DHAARN O=C(CSc1ccc2ccccc2c1)NCCc1ccccn1 ZINC000012537833 181772560 /nfs/dbraw/zinc/77/25/60/181772560.db2.gz IWWULBUHWPBZIR-UHFFFAOYSA-N 0 0 322.433 3.686 50 0 DHAARN CCCNC(=O)N(Cc1cccnc1)Cc1cccc2[nH]ccc21 ZINC000012652635 181785785 /nfs/dbraw/zinc/78/57/85/181785785.db2.gz MALWJQDGFLWTSP-UHFFFAOYSA-N 0 0 322.412 3.685 50 0 DHAARN Cc1nc2cc(NC(=O)COc3ccc(C)cc3C)ccc2o1 ZINC000012748884 181792262 /nfs/dbraw/zinc/79/22/62/181792262.db2.gz JRVJPGSEHJRIBO-UHFFFAOYSA-N 0 0 310.353 3.771 50 0 DHAARN Cc1ccc2oc(=O)c(-c3nc(-c4ccccc4F)no3)cc2c1 ZINC000012879972 181806464 /nfs/dbraw/zinc/80/64/64/181806464.db2.gz NNLRXWGARDPHRO-UHFFFAOYSA-N 0 0 322.295 3.958 50 0 DHAARN c1csc(Cc2nc(SCCc3ccccc3)n[nH]2)c1 ZINC000012811865 181800890 /nfs/dbraw/zinc/80/08/90/181800890.db2.gz NMPHPWKBXZVVBK-UHFFFAOYSA-N 0 0 301.440 3.792 50 0 DHAARN COc1ccc2cc([C@@H](C)C(=O)Nc3cc(C)on3)ccc2c1 ZINC000012822307 181802375 /nfs/dbraw/zinc/80/23/75/181802375.db2.gz LMETVQVQLGQDAI-GFCCVEGCSA-N 0 0 310.353 3.887 50 0 DHAARN CC(C)NC(=O)COc1ccc2ccccc2c1Br ZINC000012909057 181810353 /nfs/dbraw/zinc/81/03/53/181810353.db2.gz PRCWRJKRJMCGGV-UHFFFAOYSA-N 0 0 322.202 3.506 50 0 DHAARN CCCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000012910869 181810888 /nfs/dbraw/zinc/81/08/88/181810888.db2.gz AKIOADUDJAESSY-UHFFFAOYSA-N 0 0 305.809 3.754 50 0 DHAARN CC(C)NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 ZINC000012914895 181810951 /nfs/dbraw/zinc/81/09/51/181810951.db2.gz WLYFCKJGOAXKTB-UHFFFAOYSA-N 0 0 324.446 3.707 50 0 DHAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)o2)cc1 ZINC000012925317 181812260 /nfs/dbraw/zinc/81/22/60/181812260.db2.gz UZBDOSIFUNIDDU-UHFFFAOYSA-N 0 0 320.776 3.714 50 0 DHAARN O=C(NCCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013010283 181822901 /nfs/dbraw/zinc/82/29/01/181822901.db2.gz UKEOQXKDQMBFDU-UHFFFAOYSA-N 0 0 301.405 3.701 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCc2ccccc21 ZINC000013012480 181823429 /nfs/dbraw/zinc/82/34/29/181823429.db2.gz CHAVFIYEQXTSCG-MRXNPFEDSA-N 0 0 309.365 3.516 50 0 DHAARN Cc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3nc(N)nc3N2)cc1 ZINC000013131357 181831283 /nfs/dbraw/zinc/83/12/83/181831283.db2.gz SKZUFMZSQVXPKH-DLBZAZTESA-N 0 0 319.412 3.623 50 0 aggregator DHAARN Cc1cc(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)no1 ZINC000013327264 181844087 /nfs/dbraw/zinc/84/40/87/181844087.db2.gz JVLLVEDMOWHIRR-MRVPVSSYSA-N 0 0 315.156 3.696 50 0 DHAARN CC[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000013330117 181844570 /nfs/dbraw/zinc/84/45/70/181844570.db2.gz WUEWPZRQUITHBD-HNNXBMFYSA-N 0 0 309.818 3.770 50 0 DHAARN CC(C)c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000013627163 181870049 /nfs/dbraw/zinc/87/00/49/181870049.db2.gz QQYAZDCISMIHHT-UHFFFAOYSA-N 0 0 310.397 3.764 50 0 DHAARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1C ZINC000013855798 181906957 /nfs/dbraw/zinc/90/69/57/181906957.db2.gz PVSSLYKSGGPCGE-INIZCTEOSA-N 0 0 322.408 3.603 50 0 DHAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(F)cc1 ZINC000014242738 181941456 /nfs/dbraw/zinc/94/14/56/181941456.db2.gz DYQHJLIPBQUEBM-AWEZNQCLSA-N 0 0 305.349 3.932 50 0 DHAARN COc1cccc(C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000014180729 181933486 /nfs/dbraw/zinc/93/34/86/181933486.db2.gz MVYMEEFIANEPEO-UHFFFAOYSA-N 0 0 312.394 3.577 50 0 DHAARN Cc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 ZINC000014229048 181940316 /nfs/dbraw/zinc/94/03/16/181940316.db2.gz OURLHVWQUSDSJB-UHFFFAOYSA-N 0 0 307.378 3.955 50 0 DHAARN COc1ccc(CN(C(=O)c2ccc(C)s2)C2CC2)cc1 ZINC000014995905 181982103 /nfs/dbraw/zinc/98/21/03/181982103.db2.gz QBBCZOHDMCTLRL-UHFFFAOYSA-N 0 0 301.411 3.870 50 0 DHAARN Cc1cc(C(=O)NCCSCc2ccc(C)cc2)c(C)o1 ZINC000015536990 182006261 /nfs/dbraw/zinc/00/62/61/182006261.db2.gz SPRHSKPOBROCKL-UHFFFAOYSA-N 0 0 303.427 3.868 50 0 DHAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(F)ccc1F ZINC000015583494 182008316 /nfs/dbraw/zinc/00/83/16/182008316.db2.gz WDHIYYPJOKPOMF-LLVKDONJSA-N 0 0 316.351 3.893 50 0 DHAARN O=C1NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000015661967 182010619 /nfs/dbraw/zinc/01/06/19/182010619.db2.gz VWDRIMIQWMUUTF-ZROIWOOFSA-N 0 0 317.266 3.516 50 0 DHAARN COc1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000015669789 182010921 /nfs/dbraw/zinc/01/09/21/182010921.db2.gz JJNSIBWSLWTYKV-UHFFFAOYSA-N 0 0 301.323 3.631 50 0 DHAARN CCCc1nc(SC)ncc1C(=O)Nc1ccc(F)cc1 ZINC000015681163 182012586 /nfs/dbraw/zinc/01/25/86/182012586.db2.gz KSWRBNYTBVQNRP-UHFFFAOYSA-N 0 0 305.378 3.542 50 0 DHAARN Cc1cccc(-n2ccnc(NCCCc3ccccc3)c2=O)c1 ZINC000015732381 182014347 /nfs/dbraw/zinc/01/43/47/182014347.db2.gz SBAQETUKOOWQFB-UHFFFAOYSA-N 0 0 319.408 3.586 50 0 DHAARN Cc1ccccc1CNC(=O)c1ccc2c(c1)nc1n2CCCC1 ZINC000015786862 182018119 /nfs/dbraw/zinc/01/81/19/182018119.db2.gz MHNQWWKYIXFDKC-UHFFFAOYSA-N 0 0 319.408 3.611 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)s1 ZINC000015797245 182018611 /nfs/dbraw/zinc/01/86/11/182018611.db2.gz YXVOQZQAVWDTEK-DTWKUNHWSA-N 0 0 302.237 3.819 50 0 DHAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)s1 ZINC000015797243 182018640 /nfs/dbraw/zinc/01/86/40/182018640.db2.gz YXVOQZQAVWDTEK-IUCAKERBSA-N 0 0 302.237 3.819 50 0 DHAARN COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1cccs1 ZINC000015835690 182020523 /nfs/dbraw/zinc/02/05/23/182020523.db2.gz UZAMPOMOCDQMTE-LBPRGKRZSA-N 0 0 317.410 3.743 50 0 DHAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000015836480 182020690 /nfs/dbraw/zinc/02/06/90/182020690.db2.gz 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3.923 50 0 DHAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@H]1c1ccco1 ZINC000021525351 182278613 /nfs/dbraw/zinc/27/86/13/182278613.db2.gz RKAAAMDYMSZFBJ-LBPRGKRZSA-N 0 0 314.366 3.973 50 0 DHAARN COc1ccc(-c2cc(C(=O)Nc3cccc(OC)c3)no2)cc1 ZINC000021524291 182278733 /nfs/dbraw/zinc/27/87/33/182278733.db2.gz ZWVRNOVELRIXAW-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN O=C(Nc1cccc(Cl)c1)N1CCSc2ncccc21 ZINC000021531131 182279119 /nfs/dbraw/zinc/27/91/19/182279119.db2.gz ZYKOOCFUBKGPEG-UHFFFAOYSA-N 0 0 305.790 3.879 50 0 DHAARN C[C@@H](CCc1ccco1)Nc1nc(-c2ccccc2F)no1 ZINC000021630268 182281135 /nfs/dbraw/zinc/28/11/35/182281135.db2.gz IKRXIMUORAZSAE-NSHDSACASA-N 0 0 301.321 3.902 50 0 DHAARN CCCNC(=O)NCc1nc(-c2cccc(Cl)c2)oc1C ZINC000021635315 182281474 /nfs/dbraw/zinc/28/14/74/182281474.db2.gz GBTOVJJWUCGKAA-UHFFFAOYSA-N 0 0 307.781 3.513 50 0 DHAARN COc1ccccc1NC(=O)c1ncoc1-c1cccs1 ZINC000021641890 182281925 /nfs/dbraw/zinc/28/19/25/182281925.db2.gz FKHSAYZJLJHOHT-UHFFFAOYSA-N 0 0 300.339 3.664 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@H]2CCN(c3ccccc3)C2=O)c(C)c1 ZINC000021642460 182282185 /nfs/dbraw/zinc/28/21/85/182282185.db2.gz PJZLVGDWOSFVAU-QGZVFWFLSA-N 0 0 322.408 3.603 50 0 DHAARN CC(C)NC(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000021707648 182284137 /nfs/dbraw/zinc/28/41/37/182284137.db2.gz QOJYDPNKESCNBZ-UHFFFAOYSA-N 0 0 307.353 3.542 50 0 DHAARN CCCC1(CCC)NC(=O)N(Cc2ccc(Cl)s2)C1=O ZINC000021704572 182284200 /nfs/dbraw/zinc/28/42/00/182284200.db2.gz XGNCKONEOQLVIY-UHFFFAOYSA-N 0 0 314.838 3.792 50 0 DHAARN CCCCN(C)c1ncnc2onc(-c3cccc(OC)c3)c21 ZINC000021714980 182284746 /nfs/dbraw/zinc/28/47/46/182284746.db2.gz QMDBDUMBKSDSBN-UHFFFAOYSA-N 0 0 312.373 3.530 50 0 DHAARN CCC(CC)C(=O)NCc1csc(-c2ccc(OC)cc2)n1 ZINC000021785912 182289137 /nfs/dbraw/zinc/28/91/37/182289137.db2.gz HFKMCIHHSCGRPS-UHFFFAOYSA-N 0 0 318.442 3.871 50 0 DHAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)C1CC1 ZINC000021785488 182289216 /nfs/dbraw/zinc/28/92/16/182289216.db2.gz WBBRDTZCIWOJQS-UHFFFAOYSA-N 0 0 307.396 3.612 50 0 DHAARN CCn1nccc1[C@H]1CCCN1C(=O)Nc1cc(C)ccc1C ZINC000021791753 182289664 /nfs/dbraw/zinc/28/96/64/182289664.db2.gz AYGBRZSEHXTCNH-MRXNPFEDSA-N 0 0 312.417 3.889 50 0 DHAARN C[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2NC1=O ZINC000021793295 182289901 /nfs/dbraw/zinc/28/99/01/182289901.db2.gz JPRCINHPGWCUQB-NSHDSACASA-N 0 0 314.772 3.575 50 0 DHAARN CCn1nccc1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000021791705 182289953 /nfs/dbraw/zinc/28/99/53/182289953.db2.gz YJIXGMANDLTTFT-CQSZACIVSA-N 0 0 318.808 3.925 50 0 DHAARN O=C(Nc1cc(Cl)ccc1F)c1ccc(-n2cccn2)cc1 ZINC000021797214 182289992 /nfs/dbraw/zinc/28/99/92/182289992.db2.gz QFIFMKHQIOCFIW-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN COc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000021798708 182290283 /nfs/dbraw/zinc/29/02/83/182290283.db2.gz CFPIVIFETCBTNB-LJQANCHMSA-N 0 0 318.376 3.610 50 0 biogenic DHAARN COc1ccc(CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000021831366 182293932 /nfs/dbraw/zinc/29/39/32/182293932.db2.gz QNYDDHPJFWVKSV-UHFFFAOYSA-N 0 0 310.353 3.716 50 0 DHAARN O=C(CCc1ccccc1O)N1CCC(Cc2ccccc2)CC1 ZINC000021895154 182296970 /nfs/dbraw/zinc/29/69/70/182296970.db2.gz IOTFZKDDVIJPNU-UHFFFAOYSA-N 0 0 323.436 3.806 50 0 DHAARN O=C(c1ccc2c(c1)OCCCO2)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000021905371 182298003 /nfs/dbraw/zinc/29/80/03/182298003.db2.gz BMVZUOJQJXRIFF-HOCLYGCPSA-N 0 0 315.413 3.500 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)OCc2ccccc2C(F)(F)F)c1 ZINC000022003716 182303099 /nfs/dbraw/zinc/30/30/99/182303099.db2.gz BKJWOKNTORZGMA-UHFFFAOYSA-N 0 0 311.259 3.593 50 0 DHAARN Cc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 ZINC000022088247 182308480 /nfs/dbraw/zinc/30/84/80/182308480.db2.gz XKUDYTQBVIPMNB-UHFFFAOYSA-N 0 0 317.392 3.922 50 0 DHAARN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)C[C@H]1C=CCC1)CC3 ZINC000022326703 182318333 /nfs/dbraw/zinc/31/83/33/182318333.db2.gz OGGXBZJBHZVPKE-LSDHHAIUSA-N 0 0 308.425 3.806 50 0 DHAARN CCCN(C)C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000022342224 182319743 /nfs/dbraw/zinc/31/97/43/182319743.db2.gz BZGDXHXOSNXXBT-UHFFFAOYSA-N 0 0 303.383 3.626 50 0 DHAARN CN(Cc1ccccc1F)C(=O)CCc1c[nH]c2ccccc12 ZINC000022373470 182320066 /nfs/dbraw/zinc/32/00/66/182320066.db2.gz KXQBXHIHKXTFGU-UHFFFAOYSA-N 0 0 310.372 3.898 50 0 DHAARN CC[C@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1 ZINC000022380917 182320361 /nfs/dbraw/zinc/32/03/61/182320361.db2.gz ITZQTUHSNSZSCW-HNNXBMFYSA-N 0 0 303.793 3.686 50 0 DHAARN Cc1cc(C)n(CCCNC(=O)C2CCC(C(C)(C)C)CC2)n1 ZINC000022412593 182320609 /nfs/dbraw/zinc/32/06/09/182320609.db2.gz WPRGEXUXVPDDFY-UHFFFAOYSA-N 0 0 319.493 3.859 50 0 DHAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1F ZINC000022226609 182313799 /nfs/dbraw/zinc/31/37/99/182313799.db2.gz BUKWQIKJHWRBKG-ZBEGNZNMSA-N 0 0 301.386 3.720 50 0 DHAARN O=C(NCc1cccs1)c1occc1COc1ccccc1 ZINC000022242710 182315128 /nfs/dbraw/zinc/31/51/28/182315128.db2.gz YNHXJTIPHWLMPS-UHFFFAOYSA-N 0 0 313.378 3.850 50 0 DHAARN Cc1noc(-c2ccco2)c1C(=O)NCc1ccccc1Cl ZINC000022635067 182328961 /nfs/dbraw/zinc/32/89/61/182328961.db2.gz BRSIXBQTSQEYDI-UHFFFAOYSA-N 0 0 316.744 3.826 50 0 DHAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccco2)on1 ZINC000022630234 182329089 /nfs/dbraw/zinc/32/90/89/182329089.db2.gz IOIDPLPJDNEHEJ-AWEZNQCLSA-N 0 0 308.337 3.742 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)cc21 ZINC000022685125 182330666 /nfs/dbraw/zinc/33/06/66/182330666.db2.gz KHIXPWZUJFHJDJ-FZMZJTMJSA-N 0 0 301.390 3.655 50 0 DHAARN COc1ccc([C@@H](NC(=O)c2ccnc(Cl)c2)C(C)C)cc1 ZINC000022469448 182322889 /nfs/dbraw/zinc/32/28/89/182322889.db2.gz JTDYVTZBXMGKQO-INIZCTEOSA-N 0 0 318.804 3.871 50 0 DHAARN COc1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(OC)c1C ZINC000022512185 182324232 /nfs/dbraw/zinc/32/42/32/182324232.db2.gz CGBFJMUJSUPMRD-ZDUSSCGKSA-N 0 0 307.434 3.957 50 0 DHAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000023025407 182344691 /nfs/dbraw/zinc/34/46/91/182344691.db2.gz WRLSSXDFVXDSKD-GOSISDBHSA-N 0 0 315.438 3.829 50 0 DHAARN CSCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000022914090 182341524 /nfs/dbraw/zinc/34/15/24/182341524.db2.gz JCVTVQBSSVUORD-UHFFFAOYSA-N 0 0 314.410 3.760 50 0 DHAARN Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)s1 ZINC000023140549 182350886 /nfs/dbraw/zinc/35/08/86/182350886.db2.gz NYWDCQXOTYECIG-LLVKDONJSA-N 0 0 321.833 3.520 50 0 DHAARN O=C(CCSc1ccccc1)NCCOc1ccc(F)cc1 ZINC000023142420 182351450 /nfs/dbraw/zinc/35/14/50/182351450.db2.gz GPMVMGCKKIYMMN-UHFFFAOYSA-N 0 0 319.401 3.503 50 0 DHAARN O=C(Cc1cccc2ccccc21)NCCOc1ccc(F)cc1 ZINC000023142423 182351610 /nfs/dbraw/zinc/35/16/10/182351610.db2.gz XFHMDDQKGLMALS-UHFFFAOYSA-N 0 0 323.367 3.717 50 0 DHAARN Cc1ccc(-c2c[nH]c([C@@H]3CC(=O)N(CC(C)C)C3)n2)c(C)c1 ZINC000023153403 182352109 /nfs/dbraw/zinc/35/21/09/182352109.db2.gz YLYMPSFQZKWLEX-OAHLLOKOSA-N 0 0 311.429 3.665 50 0 DHAARN COc1cc(Cl)c(NC(=O)CCc2ccco2)cc1OC ZINC000023054208 182345910 /nfs/dbraw/zinc/34/59/10/182345910.db2.gz YNOFIRCOVNWTIJ-UHFFFAOYSA-N 0 0 309.749 3.522 50 0 DHAARN C[C@@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1cc2ccccc2o1 ZINC000023056066 182346100 /nfs/dbraw/zinc/34/61/00/182346100.db2.gz WOMKQDOVMRBLCK-LLVKDONJSA-N 0 0 321.336 3.907 50 0 DHAARN CC(C)Cc1noc(Cn2c3ccccc3nc2C(F)(F)F)n1 ZINC000023107760 182347761 /nfs/dbraw/zinc/34/77/61/182347761.db2.gz RXPPXHGWCZUILD-UHFFFAOYSA-N 0 0 324.306 3.685 50 0 DHAARN CCC[C@@H]1CCN(c2nccc(-c3c(C)nn(CC)c3C)n2)C1 ZINC000023581709 182363910 /nfs/dbraw/zinc/36/39/10/182363910.db2.gz JCRZWGUXZAWWAT-OAHLLOKOSA-N 0 0 313.449 3.603 50 0 DHAARN CCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000023573144 182364057 /nfs/dbraw/zinc/36/40/57/182364057.db2.gz YOVMUSJBHPSSFT-QGZVFWFLSA-N 0 0 322.408 3.835 50 0 DHAARN CN(CCNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000024241749 182378110 /nfs/dbraw/zinc/37/81/10/182378110.db2.gz VAPUMXBLXHEJOP-UHFFFAOYSA-N 0 0 304.393 3.706 50 0 DHAARN Cc1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)on1 ZINC000024394577 182379936 /nfs/dbraw/zinc/37/99/36/182379936.db2.gz WVOBDJHBCHHQSO-UHFFFAOYSA-N 0 0 320.392 3.719 50 0 DHAARN O=C(OC[C@H]1CCCO1)c1cc2c(s1)-c1ccccc1OC2 ZINC000024536214 182382783 /nfs/dbraw/zinc/38/27/83/182382783.db2.gz TVEFRNOQCYAUHR-GFCCVEGCSA-N 0 0 316.378 3.643 50 0 DHAARN Brc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000024605640 182385220 /nfs/dbraw/zinc/38/52/20/182385220.db2.gz PLRURNUSAXSWDI-UHFFFAOYSA-N 0 0 300.159 3.901 50 0 DHAARN Cc1ccc(-c2noc(COC(=O)c3cccc(C)c3)n2)cc1 ZINC000025112657 182401250 /nfs/dbraw/zinc/40/12/50/182401250.db2.gz QKYMMFDEOSRESD-UHFFFAOYSA-N 0 0 308.337 3.710 50 0 DHAARN CCc1ccc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1 ZINC000024838046 182392873 /nfs/dbraw/zinc/39/28/73/182392873.db2.gz JQPNHQRKWXTREE-UHFFFAOYSA-N 0 0 313.401 3.530 50 0 DHAARN COc1ccc2nc(C(=O)Nc3nc(C)c(C)s3)ccc2c1 ZINC000024883992 182394033 /nfs/dbraw/zinc/39/40/33/182394033.db2.gz LDZIVXOXOWAHGY-UHFFFAOYSA-N 0 0 313.382 3.569 50 0 DHAARN C[C@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000024929605 182395259 /nfs/dbraw/zinc/39/52/59/182395259.db2.gz OEENRHDGSQZCNN-GZMMTYOYSA-N 0 0 308.353 3.607 50 0 DHAARN COc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)cc(OC)c1 ZINC000024975029 182396644 /nfs/dbraw/zinc/39/66/44/182396644.db2.gz AAWQSQFJKTZTSA-UHFFFAOYSA-N 0 0 315.413 3.715 50 0 DHAARN Cc1cn2c(CC(=O)Nc3ccc(Cl)cc3)csc2n1 ZINC000024974082 182396665 /nfs/dbraw/zinc/39/66/65/182396665.db2.gz ZEZCEWORGWEBPP-UHFFFAOYSA-N 0 0 305.790 3.539 50 0 DHAARN CCn1cnnc1-c1cccc(NC(=O)/C=C/c2cccs2)c1 ZINC000025287205 182407475 /nfs/dbraw/zinc/40/74/75/182407475.db2.gz ZMWQFKCWWCPPLO-CMDGGOBGSA-N 0 0 324.409 3.678 50 0 DHAARN COc1ccccc1C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000025297033 182407825 /nfs/dbraw/zinc/40/78/25/182407825.db2.gz CDUKPGSDYQWJGP-LLVKDONJSA-N 0 0 321.323 3.788 50 0 DHAARN CC(C)(C)c1ccccc1OCC(=O)Nc1cccc2c[nH]nc21 ZINC000025585032 182416971 /nfs/dbraw/zinc/41/69/71/182416971.db2.gz NUHORIFDRQLETB-UHFFFAOYSA-N 0 0 323.396 3.878 50 0 DHAARN C[C@@H](NC(=O)NCc1ccc(Cl)cc1Cl)c1ccncc1 ZINC000026187597 182432693 /nfs/dbraw/zinc/43/26/93/182432693.db2.gz RNRNNMGEDPFBFG-SNVBAGLBSA-N 0 0 324.211 3.949 50 0 DHAARN C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCO1 ZINC000027915857 182497270 /nfs/dbraw/zinc/49/72/70/182497270.db2.gz OCHGZSSXASSKEB-KSSFIOAISA-N 0 0 311.381 3.776 50 0 DHAARN COc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000027992662 182503084 /nfs/dbraw/zinc/50/30/84/182503084.db2.gz BEGORCLNYFNGIP-UHFFFAOYSA-N 0 0 312.300 3.742 50 0 DHAARN O=C(CNc1ccccc1Oc1ccccc1Cl)NC1CC1 ZINC000028649813 182533645 /nfs/dbraw/zinc/53/36/45/182533645.db2.gz HNYJFNLVDDTVFX-UHFFFAOYSA-N 0 0 316.788 3.823 50 0 DHAARN CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)c1 ZINC000028852998 182541723 /nfs/dbraw/zinc/54/17/23/182541723.db2.gz FPUSHRUCMLRLJI-JTQLQIEISA-N 0 0 318.323 3.607 50 0 DHAARN CCCCC[C@H](C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000029472423 182566890 /nfs/dbraw/zinc/56/68/90/182566890.db2.gz ZBKGRDKOSRWRJP-GXTWGEPZSA-N 0 0 309.837 3.976 50 0 DHAARN Cc1ccc(-c2cc[nH]c3nn(-c4ccccc4)c(=O)c2-3)cc1 ZINC000100130342 193795749 /nfs/dbraw/zinc/79/57/49/193795749.db2.gz CBEGJUHMZFOKEN-UHFFFAOYSA-N 0 0 301.349 3.689 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000030229329 182586375 /nfs/dbraw/zinc/58/63/75/182586375.db2.gz OVFWKLSVRYAIRK-UHFFFAOYSA-N 0 0 314.410 3.838 50 0 DHAARN Cc1cc(-c2csc(CCN3CCCC3=O)n2)c(C)s1 ZINC000030447874 182590388 /nfs/dbraw/zinc/59/03/88/182590388.db2.gz GZFVKJUNEUSAEZ-UHFFFAOYSA-N 0 0 306.456 3.653 50 0 DHAARN Cn1cc(/C=C/C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 ZINC000031804695 182624155 /nfs/dbraw/zinc/62/41/55/182624155.db2.gz YTZNYRCTZZVEFT-IJDCCNJMSA-N 0 0 315.442 3.543 50 0 DHAARN Cc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)cc1 ZINC000100716222 193803444 /nfs/dbraw/zinc/80/34/44/193803444.db2.gz ZUGXHHDSFVKTTL-QGZVFWFLSA-N 0 0 306.344 3.782 50 0 DHAARN Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)CCc1ccco1 ZINC000032779682 182663325 /nfs/dbraw/zinc/66/33/25/182663325.db2.gz ZYTSQETYIWBJEI-CABCVRRESA-N 0 0 300.402 3.970 50 0 DHAARN CC(C)CCCCCCOc1ccc([C@@H]2CC(=O)NC2=O)cc1 ZINC000100740731 193804178 /nfs/dbraw/zinc/80/41/78/193804178.db2.gz YDHVSMZGODJWBP-KRWDZBQOSA-N 0 0 317.429 3.802 50 0 biogenic DHAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccc(F)c2)no1 ZINC000032832979 182669994 /nfs/dbraw/zinc/66/99/94/182669994.db2.gz MWNZQXNOJRGGAQ-UHFFFAOYSA-N 0 0 322.299 3.609 50 0 DHAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000032797124 182664618 /nfs/dbraw/zinc/66/46/18/182664618.db2.gz CKXMPQZTPAMWBA-NSHDSACASA-N 0 0 320.339 3.803 50 0 DHAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000032797125 182664839 /nfs/dbraw/zinc/66/48/39/182664839.db2.gz CKXMPQZTPAMWBA-LLVKDONJSA-N 0 0 320.339 3.803 50 0 DHAARN Cc1ccc(C2CC(=O)N(Cc3ccc(F)cc3)C(=O)C2)cc1 ZINC000032985348 182686454 /nfs/dbraw/zinc/68/64/54/182686454.db2.gz NIQYHAGDAJZNBK-UHFFFAOYSA-N 0 0 311.356 3.567 50 0 DHAARN CCCC(=O)Nc1ccc2sc(NC(=O)C(C)C)nc2c1 ZINC000033020388 182688666 /nfs/dbraw/zinc/68/86/66/182688666.db2.gz STYIOPRKSOOJAE-UHFFFAOYSA-N 0 0 305.403 3.629 50 0 DHAARN CC(=O)Nc1nc2cc(NC(=O)c3ccccc3)ccc2s1 ZINC000033020128 182688989 /nfs/dbraw/zinc/68/89/89/182688989.db2.gz ZANLBNQRPZSYFU-UHFFFAOYSA-N 0 0 311.366 3.507 50 0 DHAARN CC1=NN(c2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2)CC1 ZINC000032926725 182682030 /nfs/dbraw/zinc/68/20/30/182682030.db2.gz YYPBEGYAERSMPK-UHFFFAOYSA-N 0 0 321.424 3.853 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1cnc(-c2ccccc2)s1 ZINC000032930034 182682231 /nfs/dbraw/zinc/68/22/31/182682231.db2.gz SVOLEDPMBBIUCM-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN Cc1ccc(NC(=O)CCc2nc(Cc3ccccc3)no2)cc1 ZINC000032930931 182682845 /nfs/dbraw/zinc/68/28/45/182682845.db2.gz GASIEGNRABFAHN-UHFFFAOYSA-N 0 0 321.380 3.540 50 0 DHAARN Cc1ccc(-c2nc(C)c(C(=O)NCc3ccco3)s2)o1 ZINC000033144977 182694732 /nfs/dbraw/zinc/69/47/32/182694732.db2.gz UHCJLMBFUPWHAY-UHFFFAOYSA-N 0 0 302.355 3.543 50 0 DHAARN CCN(C(=O)c1ccc(-c2noc(C)n2)cc1)c1ccccc1 ZINC000033254150 182697772 /nfs/dbraw/zinc/69/77/72/182697772.db2.gz KETIFFDYJYNFHD-UHFFFAOYSA-N 0 0 307.353 3.712 50 0 DHAARN Cc1ccccc1-c1nc(-c2cccc(C(=O)NC(C)C)c2)no1 ZINC000033257751 182698666 /nfs/dbraw/zinc/69/86/66/182698666.db2.gz GWDMQXYPZOYNLJ-UHFFFAOYSA-N 0 0 321.380 3.850 50 0 DHAARN CN(C(=O)/C=C\c1ccc(Br)o1)c1ccccc1 ZINC000035080372 182750830 /nfs/dbraw/zinc/75/08/30/182750830.db2.gz MYGHTKFGFWZUHW-NTMALXAHSA-N 0 0 306.159 3.718 50 0 DHAARN Cc1cccc(-n2ccc(NC(=O)c3ccc(F)cc3F)n2)c1 ZINC000034907505 182743578 /nfs/dbraw/zinc/74/35/78/182743578.db2.gz QLSUIIWTULPOFH-UHFFFAOYSA-N 0 0 313.307 3.711 50 0 DHAARN CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000034929502 182745393 /nfs/dbraw/zinc/74/53/93/182745393.db2.gz OBHGLEDGKAWUTM-OAHLLOKOSA-N 0 0 318.417 3.617 50 0 DHAARN CCNC(=O)N(Cc1cc(-c2ccc(F)cc2)on1)CC(C)C ZINC000036004747 182792790 /nfs/dbraw/zinc/79/27/90/182792790.db2.gz YQOWSTFFBDCKFM-UHFFFAOYSA-N 0 0 319.380 3.668 50 0 DHAARN CC(C)(Nc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622217 182783507 /nfs/dbraw/zinc/78/35/07/182783507.db2.gz QRPCWLFXQSYYCC-UHFFFAOYSA-N 0 0 313.792 3.663 50 0 DHAARN C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000036397970 182824817 /nfs/dbraw/zinc/82/48/17/182824817.db2.gz LRGKZCJIFFWLJI-TVQRCGJNSA-N 0 0 320.647 3.971 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1 ZINC000036621024 182830583 /nfs/dbraw/zinc/83/05/83/182830583.db2.gz IDMSTPZAGKIQPI-KRWDZBQOSA-N 0 0 319.401 3.660 50 0 DHAARN Cc1ccccc1NC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000038592149 183003629 /nfs/dbraw/zinc/00/36/29/183003629.db2.gz OXOSBQLVIFHDEP-UHFFFAOYSA-N 0 0 324.424 3.865 50 0 DHAARN Cn1cc(CC(=O)Nc2nc3ccccc3s2)c2ccccc21 ZINC000038746563 183008034 /nfs/dbraw/zinc/00/80/34/183008034.db2.gz GMQUPMZOWPDRDC-UHFFFAOYSA-N 0 0 321.405 3.969 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c(C)c1 ZINC000038833372 183010853 /nfs/dbraw/zinc/01/08/53/183010853.db2.gz FFKCXKPDODLZGP-UHFFFAOYSA-N 0 0 305.381 3.801 50 0 DHAARN CC(C)COCCCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000039984336 183026630 /nfs/dbraw/zinc/02/66/30/183026630.db2.gz LUNOKSVHRZOWFS-UHFFFAOYSA-N 0 0 318.244 3.715 50 0 DHAARN CN(C)C(=O)[C@H](Nc1cccc2c1CCCC2)c1ccccc1 ZINC000039982328 183026724 /nfs/dbraw/zinc/02/67/24/183026724.db2.gz RKILEGWDLZLYJV-LJQANCHMSA-N 0 0 308.425 3.807 50 0 DHAARN CCc1nc2ccc(C(=O)Nc3ccc(C)cn3)cc2nc1CC ZINC000040012883 183028054 /nfs/dbraw/zinc/02/80/54/183028054.db2.gz KROMPNMXMQDKHK-UHFFFAOYSA-N 0 0 320.396 3.710 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)Cc1cccc2cccnc21 ZINC000040025771 183028770 /nfs/dbraw/zinc/02/87/70/183028770.db2.gz VJZLIGMZDIIITF-MRXNPFEDSA-N 0 0 318.420 3.915 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc2cccnc21 ZINC000040025769 183029076 /nfs/dbraw/zinc/02/90/76/183029076.db2.gz VJZLIGMZDIIITF-INIZCTEOSA-N 0 0 318.420 3.915 50 0 DHAARN Nc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000039158055 183014697 /nfs/dbraw/zinc/01/46/97/183014697.db2.gz IMOHCLSKYHVGQC-UHFFFAOYSA-N 0 0 324.405 3.796 50 0 DHAARN Cc1nn(C)c(Cl)c1C(=O)c1c(Cl)cccc1Cl ZINC000039339276 183017289 /nfs/dbraw/zinc/01/72/89/183017289.db2.gz NAHSDGAUYZQCNL-UHFFFAOYSA-N 0 0 303.576 3.920 50 0 DHAARN O=C1NC2(CCCCCCC2)C(=O)N1C/C=C/c1ccccc1 ZINC000039570204 183021296 /nfs/dbraw/zinc/02/12/96/183021296.db2.gz UAYKZQPHSMADFK-FMIVXFBMSA-N 0 0 312.413 3.735 50 0 DHAARN COc1cccc(CNC(=O)NC2(c3ccccc3)CCC2)c1 ZINC000040150022 183040058 /nfs/dbraw/zinc/04/00/58/183040058.db2.gz QHPHGGCSXCYQHI-UHFFFAOYSA-N 0 0 310.397 3.574 50 0 DHAARN O=C(CCc1ccco1)NCCc1ccc(C(F)(F)F)cc1 ZINC000040159473 183040988 /nfs/dbraw/zinc/04/09/88/183040988.db2.gz ODOBBIDCDQBXLQ-UHFFFAOYSA-N 0 0 311.303 3.590 50 0 DHAARN Cc1ccc(OCCSCC(=O)NC2CCCCC2)cc1 ZINC000040161363 183041473 /nfs/dbraw/zinc/04/14/73/183041473.db2.gz YRCUYDHNOBAOQX-UHFFFAOYSA-N 0 0 307.459 3.556 50 0 DHAARN CCOc1ccc(NC(=O)NCCSc2ccccc2)cc1 ZINC000040095543 183034242 /nfs/dbraw/zinc/03/42/42/183034242.db2.gz PKKQXFNXQPIOKL-UHFFFAOYSA-N 0 0 316.426 3.999 50 0 DHAARN CCOc1ccccc1NC(=O)NCc1cc(F)cc(F)c1 ZINC000040098748 183034930 /nfs/dbraw/zinc/03/49/30/183034930.db2.gz FOHNVFBLCGVTDC-UHFFFAOYSA-N 0 0 306.312 3.685 50 0 DHAARN COc1ccc(C2=CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000040119697 183037880 /nfs/dbraw/zinc/03/78/80/183037880.db2.gz RMQYCBDXSJHJBI-UHFFFAOYSA-N 0 0 311.356 3.764 50 0 DHAARN O=C(NCCSC(F)(F)F)c1cccc(Cl)c1Cl ZINC000040119028 183038070 /nfs/dbraw/zinc/03/80/70/183038070.db2.gz NCXMLEMXMBXSMG-UHFFFAOYSA-N 0 0 318.147 3.976 50 0 DHAARN O=C(/C=C/c1c(F)cccc1F)Nc1nc(C2CC2)cs1 ZINC000040133078 183038349 /nfs/dbraw/zinc/03/83/49/183038349.db2.gz VAFSOCHPDWEFRV-VOTSOKGWSA-N 0 0 306.337 3.951 50 0 DHAARN CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1cccs1 ZINC000040121693 183038674 /nfs/dbraw/zinc/03/86/74/183038674.db2.gz CXVRZOGUURGYLH-CYBMUJFWSA-N 0 0 303.427 3.955 50 0 DHAARN Cn1c2ccccc2c(Cl)c1C(=O)NCCc1ccccc1 ZINC000040142894 183039025 /nfs/dbraw/zinc/03/90/25/183039025.db2.gz GNWRKLJCOQJMAM-UHFFFAOYSA-N 0 0 312.800 3.804 50 0 DHAARN Cc1ccc2c(CC(=O)N3c4ccnn4[C@@H](C)C[C@H]3C)coc2c1 ZINC000040146287 183039854 /nfs/dbraw/zinc/03/98/54/183039854.db2.gz ABMQPIVSRCGOIX-KGLIPLIRSA-N 0 0 323.396 3.867 50 0 DHAARN CC(=O)c1cn(CCC(=O)Nc2cccc(C)n2)c2ccccc12 ZINC000040283556 183050519 /nfs/dbraw/zinc/05/05/19/183050519.db2.gz MVRVWPXDQBJTIA-UHFFFAOYSA-N 0 0 321.380 3.576 50 0 DHAARN CC(C)Nc1nc(C(=O)Nc2ccc3cc[nH]c3c2)cs1 ZINC000040286378 183051434 /nfs/dbraw/zinc/05/14/34/183051434.db2.gz OUOOGJWWURIKFL-UHFFFAOYSA-N 0 0 300.387 3.697 50 0 DHAARN C[C@H](NC(=O)C1CCCC1)c1nc(-c2cccc(Cl)c2)no1 ZINC000040383030 183058530 /nfs/dbraw/zinc/05/85/30/183058530.db2.gz PLXNGCYHOZCTGO-JTQLQIEISA-N 0 0 319.792 3.757 50 0 DHAARN CCCCc1nnc(NC(=O)c2ccc3ccn(C)c3c2)s1 ZINC000040284018 183050373 /nfs/dbraw/zinc/05/03/73/183050373.db2.gz XEQWHFPLVBULDB-UHFFFAOYSA-N 0 0 314.414 3.625 50 0 DHAARN COc1ccc([C@@H]2CCCN2Cc2nnsc2Cl)cc1 ZINC000040466166 183072645 /nfs/dbraw/zinc/07/26/45/183072645.db2.gz WAXARKMDDIXODO-ZDUSSCGKSA-N 0 0 309.822 3.537 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)cc1OC ZINC000040487954 183078161 /nfs/dbraw/zinc/07/81/61/183078161.db2.gz NERYXMVZVCBGIF-GOEBONIOSA-N 0 0 315.413 3.724 50 0 DHAARN CC(C)C[C@H](C)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000040497972 183081825 /nfs/dbraw/zinc/08/18/25/183081825.db2.gz PDHWBCHSNLNQMO-LBPRGKRZSA-N 0 0 321.446 3.624 50 0 DHAARN O=C(Nc1cccc(NC(=O)[C@H]2CC=CCC2)c1)c1ccncc1 ZINC000040509619 183086063 /nfs/dbraw/zinc/08/60/63/183086063.db2.gz VZJZVTAGVSNKCU-AWEZNQCLSA-N 0 0 321.380 3.629 50 0 DHAARN Cc1ccc(C(=O)C2CCN(C(=O)C3CCCC3)CC2)c(C)c1 ZINC000040510905 183086672 /nfs/dbraw/zinc/08/66/72/183086672.db2.gz UGSZRCFAJIFNKJ-UHFFFAOYSA-N 0 0 313.441 3.915 50 0 DHAARN Cc1nc2cc(N[C@H](C)c3nc(C(C)(C)C)no3)ccc2o1 ZINC000040511394 183087362 /nfs/dbraw/zinc/08/73/62/183087362.db2.gz HKRQQJJPLBRNJZ-SECBINFHSA-N 0 0 300.362 3.990 50 0 DHAARN CCCCC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 ZINC000040512966 183088233 /nfs/dbraw/zinc/08/82/33/183088233.db2.gz BAWXEQOYURYJFU-UHFFFAOYSA-N 0 0 314.385 3.798 50 0 DHAARN COc1cc([C@H](C)NC(=O)CC(F)(F)F)ccc1OC(C)C ZINC000040516345 183089608 /nfs/dbraw/zinc/08/96/08/183089608.db2.gz UGWRARQLKXPDQG-JTQLQIEISA-N 0 0 319.323 3.612 50 0 DHAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1c(C)noc1C ZINC000040553177 183100406 /nfs/dbraw/zinc/10/04/06/183100406.db2.gz NIXDTKIGMRMZAW-HNNXBMFYSA-N 0 0 316.401 3.565 50 0 DHAARN Cc1cccc(C)c1NC(=O)CN(Cc1ccccn1)C(C)C ZINC000040555316 183101972 /nfs/dbraw/zinc/10/19/72/183101972.db2.gz GEOIPRYUUSKZSA-UHFFFAOYSA-N 0 0 311.429 3.548 50 0 DHAARN Cc1cccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nnnn32)c1 ZINC000102047615 193857185 /nfs/dbraw/zinc/85/71/85/193857185.db2.gz DTSIBFIOGYEFMK-MRXNPFEDSA-N 0 0 323.787 3.691 50 0 DHAARN CCc1nc2sc3c(c2c(NCc2cccnc2)n1)CCC3 ZINC000041090198 183164120 /nfs/dbraw/zinc/16/41/20/183164120.db2.gz FTKWOAGFMFFZLO-UHFFFAOYSA-N 0 0 310.426 3.750 50 0 DHAARN COc1ccc2oc(C)c(C(=O)NCCc3cccs3)c2c1 ZINC000041156380 183179302 /nfs/dbraw/zinc/17/93/02/183179302.db2.gz XMYJHVHZCGUGBW-UHFFFAOYSA-N 0 0 315.394 3.784 50 0 DHAARN CCc1noc([C@H]2CCCN(C(=O)CCC3CCCCC3)C2)n1 ZINC000041122355 183167625 /nfs/dbraw/zinc/16/76/25/183167625.db2.gz GNQZVQWFZSYOMK-HNNXBMFYSA-N 0 0 319.449 3.699 50 0 DHAARN CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)c2ccco2)n1 ZINC000041123377 183168178 /nfs/dbraw/zinc/16/81/78/183168178.db2.gz BQSARCMYWLPKSI-NWDGAFQWSA-N 0 0 303.362 3.544 50 0 DHAARN CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000041122608 183168510 /nfs/dbraw/zinc/16/85/10/183168510.db2.gz FANSAYKBMSBJSJ-VXGBXAGGSA-N 0 0 319.430 3.664 50 0 DHAARN CC(C)c1noc([C@H]2CCCCN2C(=O)Cc2cccs2)n1 ZINC000041124181 183168808 /nfs/dbraw/zinc/16/88/08/183168808.db2.gz KVUVCIMXTQNRAU-CYBMUJFWSA-N 0 0 319.430 3.551 50 0 DHAARN O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000041134437 183171079 /nfs/dbraw/zinc/17/10/79/183171079.db2.gz NRASYENPRNQCJM-HIFRSBDPSA-N 0 0 321.829 3.786 50 0 DHAARN Cc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000041572274 183205544 /nfs/dbraw/zinc/20/55/44/183205544.db2.gz KEUBRLULKDDSJL-UHFFFAOYSA-N 0 0 322.386 3.545 50 0 DHAARN Fc1cccc(F)c1CC[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000042475835 183274612 /nfs/dbraw/zinc/27/46/12/183274612.db2.gz BEBYWXMYCJHVEB-CYBMUJFWSA-N 0 0 305.372 3.533 50 0 DHAARN CC(C)(C)c1nnc(SCc2nc(-c3ccsc3)no2)o1 ZINC000042570499 183285492 /nfs/dbraw/zinc/28/54/92/183285492.db2.gz FGBQNVNWGWVUPA-UHFFFAOYSA-N 0 0 322.415 3.771 50 0 DHAARN CN(Cc1ccc(Br)o1)C(=O)NC1CCCCC1 ZINC000042862848 183314985 /nfs/dbraw/zinc/31/49/85/183314985.db2.gz WBXRFADKFBZMDH-UHFFFAOYSA-N 0 0 315.211 3.516 50 0 DHAARN COc1ccc(OC)c([C@H](C)NCc2cnn(C(C)(C)C)c2)c1 ZINC000042949446 183320476 /nfs/dbraw/zinc/32/04/76/183320476.db2.gz NEUSHZBHATUPHZ-ZDUSSCGKSA-N 0 0 317.433 3.506 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000042959155 183323845 /nfs/dbraw/zinc/32/38/45/183323845.db2.gz JQQUZNBQTBVPFG-KRWDZBQOSA-N 0 0 313.401 3.510 50 0 DHAARN CCCCc1nc(C)c(C(=O)N(C)Cc2c(C)noc2C)s1 ZINC000043037886 183332226 /nfs/dbraw/zinc/33/22/26/183332226.db2.gz KAKZXMKIYXDVGQ-UHFFFAOYSA-N 0 0 321.446 3.671 50 0 DHAARN O=C(Nc1cccc2cnccc21)N1CCC[C@@H]1c1ccncc1 ZINC000043161873 183341926 /nfs/dbraw/zinc/34/19/26/183341926.db2.gz NERJTQKDZZOIFH-GOSISDBHSA-N 0 0 318.380 3.999 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1ccncc1 ZINC000043184670 183343435 /nfs/dbraw/zinc/34/34/35/183343435.db2.gz POINJXPFXZSMNG-WFASDCNBSA-N 0 0 315.442 3.923 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 ZINC000043552848 183371063 /nfs/dbraw/zinc/37/10/63/183371063.db2.gz ASCSJVMFUOMHCF-AOOOYVTPSA-N 0 0 316.373 3.642 50 0 DHAARN CC(=O)n1nccc1[C@H](C)Sc1ncccc1C(F)(F)F ZINC000043804409 183386392 /nfs/dbraw/zinc/38/63/92/183386392.db2.gz WADNJPIKNDXQHL-QMMMGPOBSA-N 0 0 315.320 3.810 50 0 DHAARN C[C@H]1CN(C(=O)Nc2ccccc2-c2cccs2)CCO1 ZINC000043910660 183389355 /nfs/dbraw/zinc/38/93/55/183389355.db2.gz VQBAZOAOCZASLN-LBPRGKRZSA-N 0 0 302.399 3.668 50 0 DHAARN CC(C)(C)n1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cn1 ZINC000044013191 183393028 /nfs/dbraw/zinc/39/30/28/183393028.db2.gz DSZCPNORGDDUNI-AWNIVKPZSA-N 0 0 301.777 3.784 50 0 DHAARN CCCc1cc(SCc2ccc(C(=O)OC)cc2)ncn1 ZINC000044225091 183398886 /nfs/dbraw/zinc/39/88/86/183398886.db2.gz DTWYXLVULKOKDH-UHFFFAOYSA-N 0 0 302.399 3.508 50 0 DHAARN O=C([C@H]1CC=CCC1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000044575978 183424182 /nfs/dbraw/zinc/42/41/82/183424182.db2.gz AQKNWULUHFPSAB-HKUYNNGSSA-N 0 0 306.409 3.776 50 0 DHAARN O=C(NOCc1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000050096811 183772902 /nfs/dbraw/zinc/77/29/02/183772902.db2.gz OFTVKSAFJFNQHK-CQSZACIVSA-N 0 0 302.399 3.726 50 0 DHAARN CC(C)(C)C(=O)N1CCC[C@H](c2nc(-c3ccsc3)no2)C1 ZINC000109476754 194268547 /nfs/dbraw/zinc/26/85/47/194268547.db2.gz QJQNDTIDUFSJDF-NSHDSACASA-N 0 0 319.430 3.550 50 0 DHAARN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCCCCCC1 ZINC000051204397 183819490 /nfs/dbraw/zinc/81/94/90/183819490.db2.gz FTSJORLEQTYXME-UHFFFAOYSA-N 0 0 315.442 3.941 50 0 DHAARN CCC[C@H](NC(=O)CCC(=O)NC1CCCC1)c1cccs1 ZINC000055183373 183969500 /nfs/dbraw/zinc/96/95/00/183969500.db2.gz XPTRSQONVMALBC-AWEZNQCLSA-N 0 0 322.474 3.545 50 0 DHAARN O=C(NCC1(c2cccc(F)c2)CCOCC1)C1CCCCC1 ZINC000055450762 183987403 /nfs/dbraw/zinc/98/74/03/183987403.db2.gz YIGOWEFCVMHCFM-UHFFFAOYSA-N 0 0 319.420 3.570 50 0 DHAARN O=C(Nc1cn[nH]c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000057029777 184025580 /nfs/dbraw/zinc/02/55/80/184025580.db2.gz RXYGXOFZNNCIDG-INIZCTEOSA-N 0 0 324.409 3.651 50 0 DHAARN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)Cc1cccnc1 ZINC000057030148 184025583 /nfs/dbraw/zinc/02/55/83/184025583.db2.gz UBYDYUQKTSEIFJ-QGZVFWFLSA-N 0 0 324.424 3.559 50 0 DHAARN O=C(/C=C/c1cccs1)NCc1ncc(-c2ccccc2)o1 ZINC000057142894 184027851 /nfs/dbraw/zinc/02/78/51/184027851.db2.gz BRBMGEURDOZMEA-CMDGGOBGSA-N 0 0 310.378 3.733 50 0 DHAARN COc1ccc(NC(=O)N2CCc3sccc3C2)cc1C ZINC000056752059 184018958 /nfs/dbraw/zinc/01/89/58/184018958.db2.gz FGYDSAGBFPHBNI-UHFFFAOYSA-N 0 0 302.399 3.655 50 0 DHAARN C[C@H](C(=O)N1CCCCCC1)N(C)Cc1ccccc1Cl ZINC000057991544 184065362 /nfs/dbraw/zinc/06/53/62/184065362.db2.gz NHDCFAZGTFCQTP-CQSZACIVSA-N 0 0 308.853 3.563 50 0 DHAARN Cc1noc(C)c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000058004989 184066270 /nfs/dbraw/zinc/06/62/70/184066270.db2.gz OXROZHAOYQAAQJ-UHFFFAOYSA-N 0 0 313.382 3.596 50 0 DHAARN Cc1ccc(CNC(=O)Nc2c(C)cc(C)cc2Cl)n1C ZINC000058026758 184069267 /nfs/dbraw/zinc/06/92/67/184069267.db2.gz CDAYSEJIVAEODZ-UHFFFAOYSA-N 0 0 305.809 3.925 50 0 DHAARN CCOC(=O)c1cc2cc(NC(=O)NCC3CC3)ccc2s1 ZINC000058171520 184084328 /nfs/dbraw/zinc/08/43/28/184084328.db2.gz FLVYBQBQQRCWFJ-UHFFFAOYSA-N 0 0 318.398 3.610 50 0 DHAARN COc1cc(NCCOc2ccc(C)cc2)cc(OC)c1OC ZINC000058183439 184085658 /nfs/dbraw/zinc/08/56/58/184085658.db2.gz YXJGHPJJMPGXKE-UHFFFAOYSA-N 0 0 317.385 3.512 50 0 DHAARN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccncc1)c1ccccc1Cl ZINC000058202379 184087534 /nfs/dbraw/zinc/08/75/34/184087534.db2.gz QLVRHFHMCDPTRS-GLQYFDAESA-N 0 0 300.789 3.716 50 0 DHAARN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1Cl ZINC000058202472 184087654 /nfs/dbraw/zinc/08/76/54/184087654.db2.gz OLJSFAIEWGVRKC-UHFFFAOYSA-N 0 0 311.772 3.660 50 0 DHAARN C[C@@H]1CCCC[C@H]1OCCSc1nnc(C(F)(F)F)n1C ZINC000058245199 184093879 /nfs/dbraw/zinc/09/38/79/184093879.db2.gz BJQUIFSDNUOHNE-NXEZZACHSA-N 0 0 323.384 3.521 50 0 DHAARN O=C(CC[S@@](=O)Cc1cccc(Cl)c1)Nc1ccccc1 ZINC000058229327 184091242 /nfs/dbraw/zinc/09/12/42/184091242.db2.gz SBBQUWDAGYYEDB-NRFANRHFSA-N 0 0 321.829 3.618 50 0 DHAARN CN(C[C@H]1CCCO1)C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000058377929 184110011 /nfs/dbraw/zinc/11/00/11/184110011.db2.gz MVIDGWYYKHBYPS-WSKFYRRCSA-N 0 0 314.212 3.644 50 0 DHAARN CC(C)c1nnc(NC(=O)CS[C@H](C)c2ccc(F)cc2)o1 ZINC000058249580 184094819 /nfs/dbraw/zinc/09/48/19/184094819.db2.gz ZTBMTKKIBICTJF-SNVBAGLBSA-N 0 0 323.393 3.765 50 0 DHAARN C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(-n2cccc2)cc1 ZINC000058282171 184099557 /nfs/dbraw/zinc/09/95/57/184099557.db2.gz STXWRRQHVJAEPC-HNNXBMFYSA-N 0 0 305.381 3.706 50 0 DHAARN CN(Cc1cccnc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058283371 184100228 /nfs/dbraw/zinc/10/02/28/184100228.db2.gz IISJQKQQULXEJE-UHFFFAOYSA-N 0 0 309.291 3.764 50 0 DHAARN Cc1nn(C)c(Oc2ccccc2)c1CNCc1ccc(C)nc1 ZINC000058297556 184102458 /nfs/dbraw/zinc/10/24/58/184102458.db2.gz LLRNBBWSFFLWLB-UHFFFAOYSA-N 0 0 322.412 3.514 50 0 DHAARN COCCOc1c(Cl)cccc1NC(=O)C[C@@H]1C=CCC1 ZINC000058313400 184104076 /nfs/dbraw/zinc/10/40/76/184104076.db2.gz JYSKUZGKHNSOAL-GFCCVEGCSA-N 0 0 309.793 3.660 50 0 DHAARN CCc1cccc(C)c1NC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000058325048 184105475 /nfs/dbraw/zinc/10/54/75/184105475.db2.gz ONMKMFUWLCYCCJ-MRXNPFEDSA-N 0 0 316.376 3.552 50 0 DHAARN CNC(=O)c1ccccc1OCc1nc(-c2ccccc2)oc1C ZINC000058331960 184106899 /nfs/dbraw/zinc/10/68/99/184106899.db2.gz NUAPWCIWZCNAPQ-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN CC(C)OCc1ccccc1CNC(=O)N1CCc2ccccc21 ZINC000058844783 184130024 /nfs/dbraw/zinc/13/00/24/184130024.db2.gz UHKYJMHTQZJEQO-UHFFFAOYSA-N 0 0 324.424 3.884 50 0 DHAARN c1ccc2nc(NCCNc3cnc4ccccc4n3)ccc2c1 ZINC000058394144 184112490 /nfs/dbraw/zinc/11/24/90/184112490.db2.gz SECUDYCTQYUIBI-UHFFFAOYSA-N 0 0 315.380 3.702 50 0 DHAARN C[C@@H](O)CN(Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000058416620 184115315 /nfs/dbraw/zinc/11/53/15/184115315.db2.gz IDLVMZMADKFTFG-OAHLLOKOSA-N 0 0 308.381 3.729 50 0 DHAARN C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 ZINC000058424892 184116672 /nfs/dbraw/zinc/11/66/72/184116672.db2.gz GKYCOGIAJRIERK-ZDUSSCGKSA-N 0 0 315.442 3.797 50 0 DHAARN CCCO[C@@H]1CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000058429331 184117306 /nfs/dbraw/zinc/11/73/06/184117306.db2.gz ZRGKNGBYAQDJQW-MRXNPFEDSA-N 0 0 314.429 3.816 50 0 DHAARN CC(C)c1ccc([C@H](C)NC(=O)c2cc(N)nc(Cl)c2)cc1 ZINC000058434559 184118271 /nfs/dbraw/zinc/11/82/71/184118271.db2.gz SFMKPLDUEULHBV-NSHDSACASA-N 0 0 317.820 3.932 50 0 DHAARN Cc1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)ccn1 ZINC000058434599 184118574 /nfs/dbraw/zinc/11/85/74/184118574.db2.gz LMRAEEQABIIRAA-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)OCC(F)(F)F ZINC000058444247 184118924 /nfs/dbraw/zinc/11/89/24/184118924.db2.gz NBICNOQXRGTTFA-UHFFFAOYSA-N 0 0 310.275 3.783 50 0 DHAARN COc1ccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000058573372 184122783 /nfs/dbraw/zinc/12/27/83/184122783.db2.gz VSGINFDSKVLNNL-SFHVURJKSA-N 0 0 313.372 3.741 50 0 DHAARN O=c1[nH]c2ccc(-c3csc(CCc4ccccc4)n3)cc2[nH]1 ZINC000060511096 184150939 /nfs/dbraw/zinc/15/09/39/184150939.db2.gz XYYQPSZWIPJLHJ-UHFFFAOYSA-N 0 0 321.405 3.765 50 0 DHAARN NC(=O)c1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000059018073 184133962 /nfs/dbraw/zinc/13/39/62/184133962.db2.gz NNMACBRIMPFGQC-UHFFFAOYSA-N 0 0 316.332 3.854 50 0 DHAARN CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1cc(C)cc(C)c1 ZINC000059577003 184139567 /nfs/dbraw/zinc/13/95/67/184139567.db2.gz DMFJUYVSGMMBOK-UHFFFAOYSA-N 0 0 321.424 3.646 50 0 DHAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000059740226 184140537 /nfs/dbraw/zinc/14/05/37/184140537.db2.gz KBDUEIAIHSNWRQ-HNNXBMFYSA-N 0 0 316.445 3.527 50 0 DHAARN O=C(Nc1ccc(CCO)cc1)c1cc2c(s1)CCCCC2 ZINC000060528897 184151443 /nfs/dbraw/zinc/15/14/43/184151443.db2.gz NCZUXWLUBYUENZ-UHFFFAOYSA-N 0 0 315.438 3.804 50 0 DHAARN COc1ncccc1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000060205368 184144814 /nfs/dbraw/zinc/14/48/14/184144814.db2.gz VFCBIXJWXARGJZ-MRXNPFEDSA-N 0 0 310.397 3.633 50 0 DHAARN O=C1Oc2ccccc2/C1=C/c1cc2c(c(Cl)c1)OCO2 ZINC000061190290 184165102 /nfs/dbraw/zinc/16/51/02/184165102.db2.gz MHYQIJUWRUKQMJ-WZUFQYTHSA-N 0 0 300.697 3.528 50 0 DHAARN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](C)CCCC(C)C)c12 ZINC000061722009 184185911 /nfs/dbraw/zinc/18/59/11/184185911.db2.gz RKAVKTZNWKBXCZ-GFCCVEGCSA-N 0 0 316.449 3.530 50 0 DHAARN COc1ccc2occ(CC(=O)Nc3cccc(OC)c3)c2c1 ZINC000061997300 184200575 /nfs/dbraw/zinc/20/05/75/184200575.db2.gz PYWGUIXWLAPXNT-UHFFFAOYSA-N 0 0 311.337 3.631 50 0 DHAARN Cc1ccc(-c2nsc(C(=O)N3CCC[C@H](C)C3)c2N)cc1 ZINC000062007071 184201225 /nfs/dbraw/zinc/20/12/25/184201225.db2.gz KYOJJUUHDYZEBS-LBPRGKRZSA-N 0 0 315.442 3.573 50 0 DHAARN O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2 ZINC000062545534 184242398 /nfs/dbraw/zinc/24/23/98/184242398.db2.gz KSUOIGYXPBRQMU-UHFFFAOYSA-N 0 0 318.332 3.730 50 0 DHAARN CCCOc1cccc(NC(=O)N(CC)C[C@H]2CCCO2)c1 ZINC000062580573 184244169 /nfs/dbraw/zinc/24/41/69/184244169.db2.gz YAZMNDBTOWNXGF-MRXNPFEDSA-N 0 0 306.406 3.508 50 0 DHAARN Cc1ccc(CN(C(=O)NCc2cccnc2)C(C)C)s1 ZINC000063274283 184280161 /nfs/dbraw/zinc/28/01/61/184280161.db2.gz LJRSIWVDCHYPMP-UHFFFAOYSA-N 0 0 303.431 3.572 50 0 DHAARN CC[C@H](Sc1nnc(N2CCOCC2)s1)c1ccccc1 ZINC000064368496 184295190 /nfs/dbraw/zinc/29/51/90/184295190.db2.gz PUAGSVHWRKFXGY-ZDUSSCGKSA-N 0 0 321.471 3.618 50 0 DHAARN Cc1cc(C(=O)N2CCCC2)c(C)n1Cc1ccc(F)cc1 ZINC000064554654 184299543 /nfs/dbraw/zinc/29/95/43/184299543.db2.gz GNSGEHFECYVOEG-UHFFFAOYSA-N 0 0 300.377 3.528 50 0 DHAARN COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000064579986 184300511 /nfs/dbraw/zinc/30/05/11/184300511.db2.gz LSDSQOVMNAFBDG-GOSISDBHSA-N 0 0 313.372 3.741 50 0 DHAARN CCn1nccc1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000064579993 184300558 /nfs/dbraw/zinc/30/05/58/184300558.db2.gz HIBZGBUCBMASSU-AWEZNQCLSA-N 0 0 303.793 3.534 50 0 DHAARN Cc1ccccc1NC(=O)C(=O)c1cccn1Cc1ccccc1 ZINC000065084141 184310171 /nfs/dbraw/zinc/31/01/71/184310171.db2.gz HNSOFNRRUMHFAY-UHFFFAOYSA-N 0 0 318.376 3.666 50 0 DHAARN CC(C)c1nc(-n2cccc2)sc1C(=O)NC1CCCC1 ZINC000065118513 184310778 /nfs/dbraw/zinc/31/07/78/184310778.db2.gz SUMYXOMOZNVXJC-UHFFFAOYSA-N 0 0 303.431 3.730 50 0 DHAARN CCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F ZINC000065118435 184311004 /nfs/dbraw/zinc/31/10/04/184311004.db2.gz XDHROUVFYGSKDD-UHFFFAOYSA-N 0 0 315.373 3.888 50 0 DHAARN CCn1nccc1-c1cccc(-c2noc(-c3ccccn3)n2)c1 ZINC000065137331 184311590 /nfs/dbraw/zinc/31/15/90/184311590.db2.gz XUGUIZIQWKSFDN-UHFFFAOYSA-N 0 0 317.352 3.682 50 0 DHAARN CCc1nnc(-c2cc(NC(=O)C3CCCC3)c(C)s2)o1 ZINC000065149244 184311675 /nfs/dbraw/zinc/31/16/75/184311675.db2.gz URZJIYDVJDFTMK-UHFFFAOYSA-N 0 0 305.403 3.798 50 0 DHAARN Cc1nnc(-c2cc(NC(=O)c3ccccc3F)c(C)s2)o1 ZINC000065149235 184311812 /nfs/dbraw/zinc/31/18/12/184311812.db2.gz MMRRJYRTOYXKMP-UHFFFAOYSA-N 0 0 317.345 3.806 50 0 DHAARN CCn1cc(CCNC(=O)Nc2ccc(C)cc2)c2cccnc21 ZINC000065156287 184312699 /nfs/dbraw/zinc/31/26/99/184312699.db2.gz JNQGATMKFKCDMQ-UHFFFAOYSA-N 0 0 322.412 3.729 50 0 DHAARN CCCn1cc(CCNC(=O)C2CCCCC2)c2cccnc21 ZINC000065163796 184313223 /nfs/dbraw/zinc/31/32/23/184313223.db2.gz AWMMYMMUECFPKX-UHFFFAOYSA-N 0 0 313.445 3.685 50 0 DHAARN Cc1cccc(-c2ncccc2CNC(=O)c2ccccc2)c1 ZINC000065171237 184313549 /nfs/dbraw/zinc/31/35/49/184313549.db2.gz LPSWLJLKAPAYKI-UHFFFAOYSA-N 0 0 302.377 3.987 50 0 DHAARN COc1cc(Cl)cc2c1OCC(=O)N(C1CCC(C)CC1)C2 ZINC000065184546 184314034 /nfs/dbraw/zinc/31/40/34/184314034.db2.gz FGVUBTJCALCCBV-UHFFFAOYSA-N 0 0 323.820 3.648 50 0 DHAARN CCc1ccc(CN2Cc3cc(Cl)ccc3OCC2=O)cc1 ZINC000065184368 184314197 /nfs/dbraw/zinc/31/41/97/184314197.db2.gz RVMSYANZQHEYSB-UHFFFAOYSA-N 0 0 315.800 3.824 50 0 DHAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)cc1F ZINC000064580942 184301140 /nfs/dbraw/zinc/30/11/40/184301140.db2.gz ZBAFEIPVNAAWFB-UHFFFAOYSA-N 0 0 313.307 3.711 50 0 DHAARN O=C(Cc1ccccc1F)N1CCc2cc(-c3ccno3)ccc21 ZINC000065247341 184318197 /nfs/dbraw/zinc/31/81/97/184318197.db2.gz SWZPPNDOSIANRA-UHFFFAOYSA-N 0 0 322.339 3.613 50 0 DHAARN CCc1ccccc1NC(=O)CCc1ccnc(N2CCCC2)c1 ZINC000065269644 184320199 /nfs/dbraw/zinc/32/01/99/184320199.db2.gz SHSTUWMNWBGUIC-UHFFFAOYSA-N 0 0 323.440 3.816 50 0 DHAARN FC(F)(F)c1nc2nccc(-c3cccc4ccccc43)n2n1 ZINC000065365606 184329312 /nfs/dbraw/zinc/32/93/12/184329312.db2.gz UPAJGCPONFEDLJ-UHFFFAOYSA-N 0 0 314.270 3.963 50 0 DHAARN CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2C1CCCC1 ZINC000065407374 184339354 /nfs/dbraw/zinc/33/93/54/184339354.db2.gz ARELVUXKSWHGAI-CQSZACIVSA-N 0 0 302.374 3.871 50 0 DHAARN CC(C)(C)c1[nH]nc2c1[C@@H](c1ccnc3ccccc31)CC(=O)N2 ZINC000065417615 184341401 /nfs/dbraw/zinc/34/14/01/184341401.db2.gz SUZQYSKCANJJSX-CYBMUJFWSA-N 0 0 320.396 3.730 50 0 DHAARN C[C@@H](Cc1ccco1)NC(=O)N1CCC[C@H]1c1cccs1 ZINC000065434084 184343847 /nfs/dbraw/zinc/34/38/47/184343847.db2.gz YLSKVBYGJXJZIR-JSGCOSHPSA-N 0 0 304.415 3.819 50 0 DHAARN Cc1nc(-c2ccc([C@@H]3CCCO3)s2)n(-c2ccccn2)n1 ZINC000065435855 184344844 /nfs/dbraw/zinc/34/48/44/184344844.db2.gz MMGQMCXADOFHDO-LBPRGKRZSA-N 0 0 312.398 3.551 50 0 DHAARN Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2CCc1ccccc1 ZINC000065454286 184347150 /nfs/dbraw/zinc/34/71/50/184347150.db2.gz LTSMKQIPXMCLRZ-CQSZACIVSA-N 0 0 311.429 3.776 50 0 DHAARN CCc1nn(C)c(Cl)c1-c1c(-c2ccccc2)ncn1C ZINC000065461672 184349006 /nfs/dbraw/zinc/34/90/06/184349006.db2.gz WLFTXRUPIIDBJT-UHFFFAOYSA-N 0 0 300.793 3.703 50 0 DHAARN COC[C@@H](Nc1cc(C)nc(-c2ccccc2)n1)c1ccccn1 ZINC000065490534 184353514 /nfs/dbraw/zinc/35/35/14/184353514.db2.gz PGBWJORLXWOYJC-QGZVFWFLSA-N 0 0 320.396 3.647 50 0 DHAARN CCc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4cccs4)c32)o1 ZINC000065398927 184336878 /nfs/dbraw/zinc/33/68/78/184336878.db2.gz WZHAJIORFUMAKX-JTQLQIEISA-N 0 0 313.382 3.768 50 0 DHAARN CC(C)(C)N(Cc1ccco1)Cc1nc(-c2ccco2)no1 ZINC000065405153 184337908 /nfs/dbraw/zinc/33/79/08/184337908.db2.gz SUZAVLZYPCMTJV-UHFFFAOYSA-N 0 0 301.346 3.723 50 0 DHAARN CSCc1ccc(C(=O)N(C)[C@H](C)Cc2cc(C)ccn2)o1 ZINC000065405223 184338203 /nfs/dbraw/zinc/33/82/03/184338203.db2.gz DALKAZCLTMKULM-CYBMUJFWSA-N 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Cc1cc(CNC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccn1 ZINC000426421814 257250097 /nfs/dbraw/zinc/25/00/97/257250097.db2.gz JEDCTHRXWDDJLY-CRAIPNDOSA-N 0 0 301.434 3.500 50 0 DHAARN O=C(NCCCSCc1ccco1)[C@H]1CC12CCCCC2 ZINC000426428847 257250582 /nfs/dbraw/zinc/25/05/82/257250582.db2.gz GBICKXGQZJUMTH-OAHLLOKOSA-N 0 0 307.459 3.990 50 0 DHAARN Cn1c(C(=O)NCCCc2ccco2)cc2cccc(Cl)c21 ZINC000426410776 257251429 /nfs/dbraw/zinc/25/14/29/257251429.db2.gz YHWJXOYENJVHNW-UHFFFAOYSA-N 0 0 316.788 3.787 50 0 DHAARN COc1ccc(-c2cccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]3C4)c2)cn1 ZINC000426383154 257252243 /nfs/dbraw/zinc/25/22/43/257252243.db2.gz SLNTVGIWVRWQBE-QIIPPGSGSA-N 0 0 322.408 3.676 50 0 DHAARN CCCC(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 ZINC000009141846 257253976 /nfs/dbraw/zinc/25/39/76/257253976.db2.gz WFEKLQGKMBJJGT-UHFFFAOYSA-N 0 0 318.398 3.748 50 0 DHAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000009141900 257254023 /nfs/dbraw/zinc/25/40/23/257254023.db2.gz ZJVDYYJNTJBUNU-UHFFFAOYSA-N 0 0 302.399 3.985 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DHAARN CC(C)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000252310984 257259033 /nfs/dbraw/zinc/25/90/33/257259033.db2.gz RUIWJDGPKKFHRA-COXVUDFISA-N 0 0 314.429 3.542 50 0 DHAARN CCc1noc([C@H]2[C@@H]3CC[C@@H]4[C@@H](CC[C@@H]32)C4(Cl)Cl)n1 ZINC000243900898 257259499 /nfs/dbraw/zinc/25/94/99/257259499.db2.gz AXJUXMMNIGGKBT-KNDBQHFLSA-N 0 0 301.217 3.956 50 0 DHAARN O=C(CCSCc1cc2ccccc2[nH]1)Nc1cccnc1 ZINC000334162601 257262878 /nfs/dbraw/zinc/26/28/78/257262878.db2.gz CDGLFWRUGAMEEN-UHFFFAOYSA-N 0 0 311.410 3.825 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(C)C)c(C)c1 ZINC000000136073 257266370 /nfs/dbraw/zinc/26/63/70/257266370.db2.gz CSIGETWJTRGNHT-CVEARBPZSA-N 0 0 315.413 3.776 50 0 DHAARN O=C(c1ccc(Cl)c(F)c1F)N1CCc2ccccc2C1 ZINC000000466665 257266844 /nfs/dbraw/zinc/26/68/44/257266844.db2.gz JZOHRTZOFLKIEQ-UHFFFAOYSA-N 0 0 307.727 3.817 50 0 DHAARN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)c1 ZINC000002623577 257267028 /nfs/dbraw/zinc/26/70/28/257267028.db2.gz 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Nc1ccccc1N1C(=O)c2cccc3c(Cl)ccc(c32)C1=O ZINC000000134107 134429031 /nfs/dbraw/zinc/42/90/31/134429031.db2.gz XENHQWZCFPVPAF-UHFFFAOYSA-N 0 0 322.751 3.876 50 0 DHAARN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl ZINC000000172415 134430110 /nfs/dbraw/zinc/43/01/10/134430110.db2.gz ZMYBENZKATVENR-UHFFFAOYSA-N 0 0 321.829 3.790 50 0 DHAARN CC1(C)CCCC2=C1C[C@H]1C(=O)NN(c3ccccc3)C(=O)[C@@H]1C2 ZINC000000171943 134430510 /nfs/dbraw/zinc/43/05/10/134430510.db2.gz SEEZGBPPAWHPMP-HZPDHXFCSA-N 0 0 324.424 3.597 50 0 DHAARN CSc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1 ZINC000000529079 134439616 /nfs/dbraw/zinc/43/96/16/134439616.db2.gz JQSOSGFKQRFOED-UHFFFAOYSA-N 0 0 314.454 3.857 50 0 DHAARN Cc1ccc(NC(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000002532781 134450782 /nfs/dbraw/zinc/45/07/82/134450782.db2.gz MJARQNDPLULXNT-UHFFFAOYSA-N 0 0 323.440 3.966 50 0 DHAARN Cc1nn(C)c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)c1Cl ZINC000002761617 134451537 /nfs/dbraw/zinc/45/15/37/134451537.db2.gz OOYPXWJVTUPMBX-VIFPVBQESA-N 0 0 321.783 3.503 50 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ZINC000183499620 337191971 /nfs/dbraw/zinc/19/19/71/337191971.db2.gz YAKLBAGCLKUPPR-ZIAGYGMSSA-N 0 0 311.429 3.765 50 0 DHAARN Cc1cccc(OCCCNC(=O)c2cn(C)c3ccccc23)c1 ZINC000016278376 337350858 /nfs/dbraw/zinc/35/08/58/337350858.db2.gz VOWKIFYZNNXNKE-UHFFFAOYSA-N 0 0 322.408 3.686 50 0 DHAARN Fc1cccc(F)c1-c1csc(COCc2ncc[nH]2)n1 ZINC000097098504 337382196 /nfs/dbraw/zinc/38/21/96/337382196.db2.gz JPPHAWYAJQNRGU-UHFFFAOYSA-N 0 0 307.325 3.528 50 0 DHAARN Cc1cc(NC(=O)CSc2ccoc2C)n(C(C)(C)C)n1 ZINC000131462349 337383188 /nfs/dbraw/zinc/38/31/88/337383188.db2.gz KAIDMZKWEBQNGO-UHFFFAOYSA-N 0 0 307.419 3.579 50 0 DHAARN CCCOc1ccc(NC(=O)NCc2ncccc2C)c(C)c1 ZINC000105012315 337383257 /nfs/dbraw/zinc/38/32/57/337383257.db2.gz BOKHYDGMGRMMCV-UHFFFAOYSA-N 0 0 313.401 3.809 50 0 DHAARN COc1ccccc1[S@](=O)Cc1ncc(Cl)cc1Cl ZINC000163602925 337383458 /nfs/dbraw/zinc/38/34/58/337383458.db2.gz VBDNQVVVGWHUCT-IBGZPJMESA-N 0 0 316.209 3.705 50 0 DHAARN CO[C@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 ZINC000253473938 337383707 /nfs/dbraw/zinc/38/37/07/337383707.db2.gz ZYTZWQFHAOSDHY-KBOKABMXSA-N 0 0 311.337 3.543 50 0 DHAARN Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c2ccccc2n1 ZINC000468971542 339276354 /nfs/dbraw/zinc/27/63/54/339276354.db2.gz LJNXXMPURORCLS-QFBILLFUSA-N 0 0 320.367 3.968 50 0 DHAARN Cc1cccc(-c2noc(CCOCc3ccccc3)n2)c1F ZINC000485874343 339715242 /nfs/dbraw/zinc/71/52/42/339715242.db2.gz PENOETWPFWNWIQ-UHFFFAOYSA-N 0 0 312.344 3.943 50 0 DHAARN CN(Cc1cccc(Cl)c1)C(=O)[C@H]1OCCc2ccccc21 ZINC000136647501 341263943 /nfs/dbraw/zinc/26/39/43/341263943.db2.gz GXZOMPIILWCKHL-KRWDZBQOSA-N 0 0 315.800 3.612 50 0 DHAARN CCc1cccc(Oc2ccc(NC(=O)C3=CCOCC3)cn2)c1 ZINC000192742274 341885232 /nfs/dbraw/zinc/88/52/32/341885232.db2.gz OKHCBQAYOWWKAM-UHFFFAOYSA-N 0 0 324.380 3.722 50 0 DHAARN CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc2c1OCCO2 ZINC000177930784 341939965 /nfs/dbraw/zinc/93/99/65/341939965.db2.gz WPWVKMUHVWCRED-OAHLLOKOSA-N 0 0 319.401 3.524 50 0 DHAARN CCS[C@@H]1CCC[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000178119991 521725468 /nfs/dbraw/zinc/72/54/68/521725468.db2.gz SENTWPBGHBUFMH-NWDGAFQWSA-N 0 0 303.349 3.508 50 0 DHAARN Cc1ccc2nc(=S)n(C(=O)c3ccc(Cl)cc3)n2c1 ZINC000000093962 518190173 /nfs/dbraw/zinc/19/01/73/518190173.db2.gz VUPZARLTJJZVIJ-UHFFFAOYSA-N 0 0 303.774 3.516 50 0 DHAARN CCN(C(=O)c1csnc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000181980387 520124802 /nfs/dbraw/zinc/12/48/02/520124802.db2.gz TYCLHERCVDPFEW-LBPRGKRZSA-N 0 0 318.442 3.553 50 0 DHAARN Cc1cccc(-c2noc([C@@H]3CCCN3c3nccs3)n2)c1 ZINC000328587759 534563444 /nfs/dbraw/zinc/56/34/44/534563444.db2.gz GZHYEXFCXCJKCS-ZDUSSCGKSA-N 0 0 312.398 3.843 50 0 DHAARN COCC1(CNC(=O)CCCc2ccc(Cl)cc2)CCC1 ZINC000337179575 522874412 /nfs/dbraw/zinc/87/44/12/522874412.db2.gz LJJMZIQRAWYBDI-UHFFFAOYSA-N 0 0 309.837 3.596 50 0 DHAARN CC(C)(C)c1csc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000299745219 526832367 /nfs/dbraw/zinc/83/23/67/526832367.db2.gz WUKPESANBYBEGQ-XQQFMLRXSA-N 0 0 322.474 3.658 50 0 DHAARN O=C(c1ccnnc1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000270612797 526853785 /nfs/dbraw/zinc/85/37/85/526853785.db2.gz ZLKUEUDUHZOKKP-UHFFFAOYSA-N 0 0 315.804 3.715 50 0 DHAARN CCc1ccc(N[C@H](C)C2CCS(=O)(=O)CC2)cc1Cl ZINC000285503009 536190374 /nfs/dbraw/zinc/19/03/74/536190374.db2.gz AOAJIXJDPJOTDY-LLVKDONJSA-N 0 0 315.866 3.528 50 0 DHAARN CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@H]2C)ccc1C ZINC000101405895 563557460 /nfs/dbraw/zinc/55/74/60/563557460.db2.gz QFBYVEDMPNEUNS-XHBSWPGZSA-N 0 0 302.418 3.508 50 0 DHAARN CC(C)Oc1ccc(CNC(=O)c2cc(Cl)ccc2F)cn1 ZINC000048344431 563696845 /nfs/dbraw/zinc/69/68/45/563696845.db2.gz JRAXJRAMKSQBKP-UHFFFAOYSA-N 0 0 322.767 3.591 50 0 DHAARN CCc1ncc(CN(C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC000215143390 563704614 /nfs/dbraw/zinc/70/46/14/563704614.db2.gz SPPFHBBZCWYVFE-UHFFFAOYSA-N 0 0 309.335 3.690 50 0 DHAARN C[C@H](N[C@@H]1COc2ccccc2C1)c1occc1Br ZINC000095967517 563712081 /nfs/dbraw/zinc/71/20/81/563712081.db2.gz SPGGGQJUHNQYGV-JQWIXIFHSA-N 0 0 322.202 3.696 50 0 DHAARN C[C@@H](Oc1c(Cl)cccc1Cl)c1ccnc2ncnn21 ZINC000001404243 563819065 /nfs/dbraw/zinc/81/90/65/563819065.db2.gz KQQQYNPEJRVKFN-MRVPVSSYSA-N 0 0 309.156 3.571 50 0 DHAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCCCCCC1 ZINC000170631265 563908985 /nfs/dbraw/zinc/90/89/85/563908985.db2.gz BADKWNOWVKMTST-HZPDHXFCSA-N 0 0 310.482 3.803 50 0 DHAARN Cc1nc(CNCc2cccc(OC(F)(F)F)c2)cs1 ZINC000076397205 563912711 /nfs/dbraw/zinc/91/27/11/563912711.db2.gz YJJDFHGWBUQGKQ-UHFFFAOYSA-N 0 0 302.321 3.640 50 0 DHAARN CCc1noc([C@H](C)SCCOc2ccccc2OC)n1 ZINC000076325469 563912811 /nfs/dbraw/zinc/91/28/11/563912811.db2.gz DXSWBGJNLOMVEN-NSHDSACASA-N 0 0 308.403 3.514 50 0 DHAARN CSC[C@H]1CCN(C(=O)Nc2cccc(COC(C)C)c2)C1 ZINC000096418020 563937045 /nfs/dbraw/zinc/93/70/45/563937045.db2.gz LJPYRGUMTUSYBU-HNNXBMFYSA-N 0 0 322.474 3.828 50 0 DHAARN Cc1cc(C(=O)Nc2nc3c(cccc3C(C)C)s2)no1 ZINC000009205061 563954013 /nfs/dbraw/zinc/95/40/13/563954013.db2.gz KGJHTWZFHKQWDY-UHFFFAOYSA-N 0 0 301.371 3.968 50 0 DHAARN CCOC(=O)CCCCCCC(=O)c1cc(OC)cc(OC)c1 ZINC000002580444 563310572 /nfs/dbraw/zinc/31/05/72/563310572.db2.gz LLZWCIOKNVKQHV-UHFFFAOYSA-N 0 0 322.401 3.790 50 0 DHAARN Cc1sc2[nH]c(=S)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000002619150 563311376 /nfs/dbraw/zinc/31/13/76/563311376.db2.gz QIGYSHUNXHHHHP-UHFFFAOYSA-N 0 0 306.387 3.866 50 0 DHAARN CCCCC(=O)Nc1ccc(NC(=O)CCCC)c(OC)c1 ZINC000002818776 563313628 /nfs/dbraw/zinc/31/36/28/563313628.db2.gz ZYTAEBXLSAEAPK-UHFFFAOYSA-N 0 0 306.406 3.953 50 0 DHAARN COC(=O)COc1ccc(-c2ccccc2)cc1Br ZINC000008377815 563346625 /nfs/dbraw/zinc/34/66/25/563346625.db2.gz MWEVJRJUYWZFQK-UHFFFAOYSA-N 0 0 321.170 3.668 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)o1 ZINC000023686705 563419740 /nfs/dbraw/zinc/41/97/40/563419740.db2.gz MXFDNCUEIJFLKR-UHFFFAOYSA-N 0 0 320.186 3.944 50 0 DHAARN Clc1cccc(CN2CCN(c3ccccn3)CC2)c1Cl ZINC000003684335 563449587 /nfs/dbraw/zinc/44/95/87/563449587.db2.gz QPTFHLYNFVHWDT-UHFFFAOYSA-N 0 0 322.239 3.711 50 0 DHAARN CCCCN(Cc1sccc1C)C(=O)CC[C@@H]1CCOC1=O ZINC000055281880 563473393 /nfs/dbraw/zinc/47/33/93/563473393.db2.gz TVNMUCAHNHMDSN-CQSZACIVSA-N 0 0 323.458 3.529 50 0 DHAARN Cc1nc(C[S@](=O)[C@@H]2CCc3c2cccc3Cl)oc1C ZINC000097083671 563504767 /nfs/dbraw/zinc/50/47/67/563504767.db2.gz GROXOPDYEQXZOC-JLTOFOAXSA-N 0 0 309.818 3.881 50 0 DHAARN CCn1c2ccccc2nc1SCC(=O)NC1CCCCC1 ZINC000000029004 563211164 /nfs/dbraw/zinc/21/11/64/563211164.db2.gz NLASCBMVFZPQEJ-UHFFFAOYSA-N 0 0 317.458 3.597 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000000026229 563211170 /nfs/dbraw/zinc/21/11/70/563211170.db2.gz QJZKEMXDPJECSV-AWEZNQCLSA-N 0 0 307.440 3.582 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)c1ccco1)C[C@H](C)CC2 ZINC000000035612 563211277 /nfs/dbraw/zinc/21/12/77/563211277.db2.gz KXKYQYSISIMGMY-SECBINFHSA-N 0 0 319.382 3.505 50 0 DHAARN O=C(COc1ccccc1Br)Nc1ccc(F)cc1 ZINC000000037981 563211364 /nfs/dbraw/zinc/21/13/64/563211364.db2.gz QEDPQGWXGFXUJE-UHFFFAOYSA-N 0 0 324.149 3.606 50 0 DHAARN CCc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000000036017 563211433 /nfs/dbraw/zinc/21/14/33/563211433.db2.gz YIQQOUAQRTUOOG-UHFFFAOYSA-N 0 0 317.816 3.640 50 0 DHAARN CCc1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000000051703 563212108 /nfs/dbraw/zinc/21/21/08/563212108.db2.gz VAPFNKNZFXLLEU-UHFFFAOYSA-N 0 0 307.397 3.854 50 0 DHAARN CC1(C)CC2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3)[C@H]2CO1 ZINC000000054395 563212112 /nfs/dbraw/zinc/21/21/12/563212112.db2.gz XPWQEOGWPADSKG-YOEHRIQHSA-N 0 0 324.380 3.648 50 0 DHAARN C[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000000064823 563212562 /nfs/dbraw/zinc/21/25/62/563212562.db2.gz MCDNYNGKIBZLEX-SNVBAGLBSA-N 0 0 302.201 3.631 50 0 DHAARN Cn1c(=S)n(CN2CCCCC2)nc1-c1ccccc1Cl ZINC000000063547 563212588 /nfs/dbraw/zinc/21/25/88/563212588.db2.gz FVJWFCLGPGCRLK-UHFFFAOYSA-N 0 0 322.865 3.715 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1C ZINC000000072912 563213535 /nfs/dbraw/zinc/21/35/35/563213535.db2.gz HQZCQASQUBRQNT-UHFFFAOYSA-N 0 0 302.757 3.997 50 0 DHAARN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000000084307 563214358 /nfs/dbraw/zinc/21/43/58/563214358.db2.gz NCVFSEWBZJRTPZ-UHFFFAOYSA-N 0 0 324.327 3.832 50 0 DHAARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccccn1 ZINC000000087562 563215155 /nfs/dbraw/zinc/21/51/55/563215155.db2.gz LNDCDPOELJNVPJ-GOSISDBHSA-N 0 0 301.349 3.853 50 0 DHAARN Cc1ccc(-n2nnnc2-c2c[nH]c3ccc(Cl)cc23)cc1 ZINC000000087498 563215350 /nfs/dbraw/zinc/21/53/50/563215350.db2.gz AWOIVTYUCOZLKU-UHFFFAOYSA-N 0 0 309.760 3.772 50 0 DHAARN COc1ccc(-c2noc(COc3cc(C)ccc3C)n2)cc1 ZINC000000092017 563215795 /nfs/dbraw/zinc/21/57/95/563215795.db2.gz RKICFSUDMJUEGQ-UHFFFAOYSA-N 0 0 310.353 3.941 50 0 DHAARN Cc1c(OC(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000090990 563215888 /nfs/dbraw/zinc/21/58/88/563215888.db2.gz MPQXAFBOKVFAPS-UHFFFAOYSA-N 0 0 324.332 3.792 50 0 DHAARN CC[C@H](C)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 ZINC000000100224 563216845 /nfs/dbraw/zinc/21/68/45/563216845.db2.gz HOONASVMRFDEDQ-ZDUSSCGKSA-N 0 0 308.381 3.866 50 0 DHAARN O=C1CS[C@H](c2cccnc2)N1Cc1ccc(Cl)cc1 ZINC000000099572 563217032 /nfs/dbraw/zinc/21/70/32/563217032.db2.gz LVVQHDBPUGBITE-OAHLLOKOSA-N 0 0 304.802 3.509 50 0 DHAARN CNC(=S)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000000106714 563218042 /nfs/dbraw/zinc/21/80/42/563218042.db2.gz BCMIUJQNLMCQNQ-AWEZNQCLSA-N 0 0 322.886 3.853 50 0 DHAARN O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)cc1Cl ZINC000000114936 563219125 /nfs/dbraw/zinc/21/91/25/563219125.db2.gz SREQYVJAJAEYBN-UHFFFAOYSA-N 0 0 310.951 3.556 50 0 DHAARN CCOC(=O)c1c(C)[nH]nc1Nc1cccc(Cl)c1Cl ZINC000000113244 563219344 /nfs/dbraw/zinc/21/93/44/563219344.db2.gz YVGZVAHBFZCLJT-UHFFFAOYSA-N 0 0 314.172 3.945 50 0 DHAARN Cc1nc(-c2nnc(SCc3ccc(C)cc3)n2C)cs1 ZINC000000120933 563220014 /nfs/dbraw/zinc/22/00/14/563220014.db2.gz WBBMJECJICSGIW-UHFFFAOYSA-N 0 0 316.455 3.848 50 0 DHAARN COc1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000122886 563220523 /nfs/dbraw/zinc/22/05/23/563220523.db2.gz XSZFNGBSMIARBY-GOSISDBHSA-N 0 0 313.422 3.512 50 0 DHAARN CCn1nc(C)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000000121436 563220544 /nfs/dbraw/zinc/22/05/44/563220544.db2.gz NWQHLHAXKKZHBQ-UHFFFAOYSA-N 0 0 322.290 3.947 50 0 DHAARN COc1ccc(Cc2cnc(NC(=O)c3ccccc3)s2)cc1 ZINC000000130159 563221554 /nfs/dbraw/zinc/22/15/54/563221554.db2.gz LFLHICCUTNSQCA-UHFFFAOYSA-N 0 0 324.405 3.995 50 0 DHAARN CCOC(=O)c1ccccc1Sc1ccccc1C(=O)OC ZINC000000133979 563222188 /nfs/dbraw/zinc/22/21/88/563222188.db2.gz MTXWDPHCCKAKBH-UHFFFAOYSA-N 0 0 316.378 3.801 50 0 DHAARN CCOC(=O)c1c(N)sc(C)c1-c1ccc(OCC)cc1 ZINC000000148896 563224615 /nfs/dbraw/zinc/22/46/15/563224615.db2.gz OEHRJEXNVGPCAM-UHFFFAOYSA-N 0 0 305.399 3.881 50 0 DHAARN COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1 ZINC000000161034 563225590 /nfs/dbraw/zinc/22/55/90/563225590.db2.gz OSHAVRCRDOTVTH-UHFFFAOYSA-N 0 0 302.713 3.828 50 0 DHAARN Cc1nnsc1-c1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000000155698 563225734 /nfs/dbraw/zinc/22/57/34/563225734.db2.gz YDTRPABYDIWSLR-UHFFFAOYSA-N 0 0 312.276 3.582 50 0 DHAARN Cc1ccc(OCc2noc(-c3ccnc(Cl)c3)n2)cc1 ZINC000000166720 563226450 /nfs/dbraw/zinc/22/64/50/563226450.db2.gz GOGJNFBRXYMTPN-UHFFFAOYSA-N 0 0 301.733 3.672 50 0 DHAARN CC(C)n1nnc2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000000171426 563226866 /nfs/dbraw/zinc/22/68/66/563226866.db2.gz ALIVCGSXFGJGSO-UHFFFAOYSA-N 0 0 314.776 3.918 50 0 DHAARN Cn1nc(C(F)(F)F)c(CO)c1Sc1ccc(Cl)cc1 ZINC000000168999 563227019 /nfs/dbraw/zinc/22/70/19/563227019.db2.gz MAMSGTAPEXYENG-UHFFFAOYSA-N 0 0 322.739 3.736 50 0 DHAARN CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1 ZINC000000187408 563229112 /nfs/dbraw/zinc/22/91/12/563229112.db2.gz WZJZMXBKUWKXTQ-UHFFFAOYSA-N 0 0 300.314 3.866 50 0 in-vitro DHAARN CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)c(C)c2)cc1C ZINC000000190431 563229222 /nfs/dbraw/zinc/22/92/22/563229222.db2.gz HZWLJPUYBYBFLY-UHFFFAOYSA-N 0 0 310.397 3.811 50 0 DHAARN CCCn1c2ccccc2nc1NCc1ccc2c(c1)OCO2 ZINC000000196189 563229770 /nfs/dbraw/zinc/22/97/70/563229770.db2.gz DTZBPRBRJGGRLW-UHFFFAOYSA-N 0 0 309.369 3.787 50 0 DHAARN Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)cc1 ZINC000000213200 563230980 /nfs/dbraw/zinc/23/09/80/563230980.db2.gz CCLDHKFZVRLMMP-UHFFFAOYSA-N 0 0 311.282 3.902 50 0 DHAARN Clc1cc(NCc2cccs2)ccc1N1CCOCC1 ZINC000000211149 563231214 /nfs/dbraw/zinc/23/12/14/563231214.db2.gz DKACBZOTLOOORO-UHFFFAOYSA-N 0 0 308.834 3.850 50 0 DHAARN Cc1ccc([C@H]2C[C@@H](c3cccc(F)c3)n3ncnc3N2)cc1 ZINC000000222175 563231483 /nfs/dbraw/zinc/23/14/83/563231483.db2.gz BTHQEIRJINLYCC-SJORKVTESA-N 0 0 308.360 3.872 50 0 DHAARN Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000000226167 563231663 /nfs/dbraw/zinc/23/16/63/563231663.db2.gz GTLLBGFJGUJABH-UHFFFAOYSA-N 0 0 310.578 3.916 50 0 in-vitro DHAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000000238104 563232011 /nfs/dbraw/zinc/23/20/11/563232011.db2.gz BMXVRLGVIWBKCC-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN Cc1nc2ccccc2n1C[C@H](O)COc1ccc(C(C)C)cc1 ZINC000000242911 563232796 /nfs/dbraw/zinc/23/27/96/563232796.db2.gz JVURBSSYSNSYBF-KRWDZBQOSA-N 0 0 324.424 3.908 50 0 DHAARN Nc1nc2ccc(Oc3ccc4nc(N)sc4c3)cc2s1 ZINC000000241725 563232932 /nfs/dbraw/zinc/23/29/32/563232932.db2.gz GCKXATWVQDPCKS-UHFFFAOYSA-N 0 0 314.395 3.863 50 0 DHAARN Cc1ccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000000258294 563233859 /nfs/dbraw/zinc/23/38/59/563233859.db2.gz LHSQPKFLRCFHOD-UHFFFAOYSA-N 0 0 322.360 3.980 50 0 DHAARN COc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000000268472 563234672 /nfs/dbraw/zinc/23/46/72/563234672.db2.gz PCOMVWCEKNKFCK-UHFFFAOYSA-N 0 0 317.414 3.847 50 0 DHAARN COc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000266845 563234897 /nfs/dbraw/zinc/23/48/97/563234897.db2.gz OEWQMUVDBQAYSK-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN COc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1 ZINC000000288301 563236629 /nfs/dbraw/zinc/23/66/29/563236629.db2.gz OKYSLUGVEDMPMA-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000000304640 563238275 /nfs/dbraw/zinc/23/82/75/563238275.db2.gz GJZVWFYRFLZSNH-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN COc1ccc(CNC(=S)Nc2ccc(C)cc2C)cc1 ZINC000000306637 563238492 /nfs/dbraw/zinc/23/84/92/563238492.db2.gz JTKBMIKCPAYNPZ-UHFFFAOYSA-N 0 0 300.427 3.799 50 0 DHAARN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000000306174 563238632 /nfs/dbraw/zinc/23/86/32/563238632.db2.gz ZDGVMTNVIOUIBS-ZDUSSCGKSA-N 0 0 324.449 3.940 50 0 DHAARN O=C1C[C@H](c2ccccc2)c2cc(Br)ccc2O1 ZINC000000312907 563239564 /nfs/dbraw/zinc/23/95/64/563239564.db2.gz KFKFQGCDFMGUCH-GFCCVEGCSA-N 0 0 303.155 3.890 50 0 DHAARN COc1ccc(Br)cc1C(=O)Nc1cccc(F)c1 ZINC000000310707 563239572 /nfs/dbraw/zinc/23/95/72/563239572.db2.gz RVQSJFZSJWQZJE-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN CCNC(=S)N(Cc1cccnc1)Cc1ccccc1Cl ZINC000000321244 563240857 /nfs/dbraw/zinc/24/08/57/563240857.db2.gz PMOARZLYNOAVAD-UHFFFAOYSA-N 0 0 319.861 3.632 50 0 DHAARN O=C(c1ccccc1)[C@](O)(c1ccccc1)[C@H]1CCCCC1=O ZINC000000330254 563241386 /nfs/dbraw/zinc/24/13/86/563241386.db2.gz PXBWAWRNLQTXPA-PXNSSMCTSA-N 0 0 308.377 3.516 50 0 DHAARN CCC(C)(C)C(=O)Nc1ccc(I)cc1 ZINC000000337759 563242079 /nfs/dbraw/zinc/24/20/79/563242079.db2.gz UFNWFCOBBCTUBX-UHFFFAOYSA-N 0 0 317.170 3.666 50 0 DHAARN COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(C)=O ZINC000000351110 563243025 /nfs/dbraw/zinc/24/30/25/563243025.db2.gz AGONOQWOOLRZDO-GOSISDBHSA-N 0 0 308.381 3.701 50 0 DHAARN COc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000000359603 563244304 /nfs/dbraw/zinc/24/43/04/563244304.db2.gz FFSJHJLOYCXMPA-GDNBJRDFSA-N 0 0 313.740 3.693 50 0 DHAARN CCOc1ccc(CC(=O)Nc2ccc(C)cc2)cc1OCC ZINC000000358741 563244307 /nfs/dbraw/zinc/24/43/07/563244307.db2.gz AIDRJWDWUUYACN-UHFFFAOYSA-N 0 0 313.397 3.974 50 0 DHAARN CCOc1cc(CNCc2ccccn2)cc(Cl)c1OCC ZINC000000360731 563244322 /nfs/dbraw/zinc/24/43/22/563244322.db2.gz RJZTWXJZJUSSFE-UHFFFAOYSA-N 0 0 320.820 3.822 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Br ZINC000000364300 563245331 /nfs/dbraw/zinc/24/53/31/563245331.db2.gz SKHUAKMLMUBSJS-NSHDSACASA-N 0 0 320.186 3.855 50 0 DHAARN CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000000364331 563245483 /nfs/dbraw/zinc/24/54/83/563245483.db2.gz ZHXZNLVAMNRFIB-HNNXBMFYSA-N 0 0 312.413 3.939 50 0 DHAARN COc1cc(OC)c(C(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000000365344 563245941 /nfs/dbraw/zinc/24/59/41/563245941.db2.gz OKXBXNZRLABKPD-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN O=C(Nc1ccccc1NC(=O)C1CCCC1)C1CCCC1 ZINC000000364981 563246084 /nfs/dbraw/zinc/24/60/84/563246084.db2.gz RTIKOUBVJTZHDV-UHFFFAOYSA-N 0 0 300.402 3.944 50 0 DHAARN Cc1cccc(-c2nc3cc(NC(=O)[C@H]4CCCO4)ccc3o2)c1 ZINC000000367895 563246459 /nfs/dbraw/zinc/24/64/59/563246459.db2.gz FGCHSXIKNLFXNO-QGZVFWFLSA-N 0 0 322.364 3.921 50 0 DHAARN CC[C@@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 ZINC000000374866 563246947 /nfs/dbraw/zinc/24/69/47/563246947.db2.gz PWAWLLVCZOVEEN-LLVKDONJSA-N 0 0 306.475 3.908 50 0 DHAARN O=C(CSCc1ccccc1Cl)NCCc1ccccc1 ZINC000000379700 563247625 /nfs/dbraw/zinc/24/76/25/563247625.db2.gz OYGXMLYGQHKUIS-UHFFFAOYSA-N 0 0 319.857 3.932 50 0 DHAARN Cc1nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2s1 ZINC000000382000 563247679 /nfs/dbraw/zinc/24/76/79/563247679.db2.gz CIMUQKOSEASWHO-UHFFFAOYSA-N 0 0 318.423 3.714 50 0 DHAARN c1ccc(CCc2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000000383133 563248456 /nfs/dbraw/zinc/24/84/56/563248456.db2.gz UTVADMILALJFGZ-UHFFFAOYSA-N 0 0 306.394 3.638 50 0 DHAARN CCCN(CCC)S(=O)(=O)c1ccc(Cl)c(OCC)c1 ZINC000000384713 563248734 /nfs/dbraw/zinc/24/87/34/563248734.db2.gz BWCAPXMZXULJMI-UHFFFAOYSA-N 0 0 319.854 3.549 50 0 DHAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)C(C)(C)C)ccc12 ZINC000000409123 563252311 /nfs/dbraw/zinc/25/23/11/563252311.db2.gz CLHRTHZFBHCULX-UHFFFAOYSA-N 0 0 302.370 3.712 50 0 DHAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C)cc1)C2 ZINC000000427727 563252649 /nfs/dbraw/zinc/25/26/49/563252649.db2.gz IXXDMAJFNWYZFW-CQSZACIVSA-N 0 0 311.381 3.721 50 0 DHAARN COc1ccc(NC(=O)[C@@H](CC=C(Cl)Cl)C(C)=O)cc1 ZINC000000432854 563253466 /nfs/dbraw/zinc/25/34/66/563253466.db2.gz MJKZHJMBGRLQQO-LBPRGKRZSA-N 0 0 316.184 3.548 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000000440589 563254058 /nfs/dbraw/zinc/25/40/58/563254058.db2.gz ZMWSJSPSJIMIBT-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000000444341 563255152 /nfs/dbraw/zinc/25/51/52/563255152.db2.gz GWHCUFUVCXPUAI-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1Cl ZINC000000445201 563255673 /nfs/dbraw/zinc/25/56/73/563255673.db2.gz FWASQCCBSUIPMI-UHFFFAOYSA-N 0 0 305.761 4.000 50 0 DHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(Cl)cc2)c1 ZINC000000453290 563256736 /nfs/dbraw/zinc/25/67/36/563256736.db2.gz UCJKEKLQRBWILY-UHFFFAOYSA-N 0 0 302.757 3.997 50 0 DHAARN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccs1 ZINC000000459211 563258496 /nfs/dbraw/zinc/25/84/96/563258496.db2.gz NDNCXJWOGNFJNX-UHFFFAOYSA-N 0 0 314.794 3.667 50 0 DHAARN COc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000000460206 563258500 /nfs/dbraw/zinc/25/85/00/563258500.db2.gz DYJDAMDMEGADHM-CYBMUJFWSA-N 0 0 301.411 3.956 50 0 DHAARN Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000465949 563259557 /nfs/dbraw/zinc/25/95/57/563259557.db2.gz NCEKNDAWAYORGA-UHFFFAOYSA-N 0 0 317.410 3.572 50 0 DHAARN Cc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c1 ZINC000000491535 563263433 /nfs/dbraw/zinc/26/34/33/563263433.db2.gz RYBYYARHLMVXEI-UHFFFAOYSA-N 0 0 304.802 3.775 50 0 DHAARN COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C)n1 ZINC000000498694 563263456 /nfs/dbraw/zinc/26/34/56/563263456.db2.gz YXNAGBDBINETRW-UHFFFAOYSA-N 0 0 301.733 3.769 50 0 DHAARN COc1ccccc1NC(=O)[C@@H](CC=C(Cl)Cl)C(C)=O ZINC000000499247 563263577 /nfs/dbraw/zinc/26/35/77/563263577.db2.gz AHWGYEKSMODDTP-JTQLQIEISA-N 0 0 316.184 3.548 50 0 DHAARN COc1ccc([C@]2(C)CC2(Br)Br)cc1 ZINC000000500226 563263629 /nfs/dbraw/zinc/26/36/29/563263629.db2.gz NWFRTSLXRDGBHY-JTQLQIEISA-N 0 0 320.024 3.843 50 0 DHAARN COC(=O)c1cn(C(=O)c2cc(C)cc(C)c2)c2ccccc12 ZINC000000496657 563263689 /nfs/dbraw/zinc/26/36/89/563263689.db2.gz VZTZCMPGFZONNA-UHFFFAOYSA-N 0 0 307.349 3.733 50 0 DHAARN CC[C@H]1CCc2nc3sc(C(=O)NC(C)C)c(N)c3cc2C1 ZINC000000522832 563264356 /nfs/dbraw/zinc/26/43/56/563264356.db2.gz RUALRPSPXYYOMB-JTQLQIEISA-N 0 0 317.458 3.532 50 0 DHAARN Clc1ccccc1-c1nnc2sc(-c3ccco3)nn21 ZINC000000527434 563264735 /nfs/dbraw/zinc/26/47/35/563264735.db2.gz HEGNKHUTABGUJG-UHFFFAOYSA-N 0 0 302.746 3.766 50 0 DHAARN O=C(CC[C@H]1COc2ccccc2O1)Nc1ccccc1Cl ZINC000000528629 563264902 /nfs/dbraw/zinc/26/49/02/563264902.db2.gz VDNHXCGUUUHVBK-LBPRGKRZSA-N 0 0 317.772 3.899 50 0 DHAARN Cc1cc(C(=O)NCCc2ccccc2)c2cc(F)ccc2n1 ZINC000000542058 563265267 /nfs/dbraw/zinc/26/52/67/563265267.db2.gz PPIAMNDQNPQTFR-UHFFFAOYSA-N 0 0 308.356 3.655 50 0 DHAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000000557448 563266058 /nfs/dbraw/zinc/26/60/58/563266058.db2.gz ZPMFTCSXOCTUSL-UHFFFAOYSA-N 0 0 324.380 3.658 50 0 DHAARN Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cc(=O)o2)cc1C ZINC000000550303 563266161 /nfs/dbraw/zinc/26/61/61/563266161.db2.gz ORTHLXBOQAACSC-UHFFFAOYSA-N 0 0 321.332 3.714 50 0 DHAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000000570035 563267125 /nfs/dbraw/zinc/26/71/25/563267125.db2.gz HEISHYRASLBIDO-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(Br)c(C)n2)c1 ZINC000000569384 563267310 /nfs/dbraw/zinc/26/73/10/563267310.db2.gz LZOOFLAFGRPVJY-UHFFFAOYSA-N 0 0 305.175 3.713 50 0 DHAARN COc1ccccc1CNC(=O)/C=C/c1ccccc1Cl ZINC000000579338 563267863 /nfs/dbraw/zinc/26/78/63/563267863.db2.gz READBBOYJLXHJG-ZHACJKMWSA-N 0 0 301.773 3.678 50 0 DHAARN Cc1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000000571805 563267920 /nfs/dbraw/zinc/26/79/20/563267920.db2.gz LNCGKEXJELMLNC-UHFFFAOYSA-N 0 0 303.427 3.578 50 0 DHAARN CCCc1nnc(NC(=O)c2ccc3c4c(cccc42)CC3)s1 ZINC000000608723 563268317 /nfs/dbraw/zinc/26/83/17/563268317.db2.gz VPKDDGTUHQASCG-UHFFFAOYSA-N 0 0 323.421 3.995 50 0 DHAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000000609225 563268376 /nfs/dbraw/zinc/26/83/76/563268376.db2.gz WDRNIVPMXIQTFS-GFCCVEGCSA-N 0 0 317.772 3.831 50 0 DHAARN COc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1OC ZINC000000610932 563268719 /nfs/dbraw/zinc/26/87/19/563268719.db2.gz PPIAKRFGJAIXBF-UHFFFAOYSA-N 0 0 304.321 3.795 50 0 DHAARN CCC(=O)n1nc(-c2ccccc2)nc1NCc1ccccc1 ZINC000000610174 563269001 /nfs/dbraw/zinc/26/90/01/563269001.db2.gz UFHRQHSRIANHJQ-UHFFFAOYSA-N 0 0 306.369 3.607 50 0 DHAARN C[C@H]1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000000613911 563269409 /nfs/dbraw/zinc/26/94/09/563269409.db2.gz FMMGDKQSWFYCPM-HOTGVXAUSA-N 0 0 309.409 3.532 50 0 DHAARN Cc1c(C(=O)Nc2cc(C)ccn2)oc2c1C(=O)CC(C)(C)C2 ZINC000000613314 563269411 /nfs/dbraw/zinc/26/94/11/563269411.db2.gz JMMFLKJIGTVPFW-UHFFFAOYSA-N 0 0 312.369 3.699 50 0 DHAARN COc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000000618663 563270671 /nfs/dbraw/zinc/27/06/71/563270671.db2.gz ZTRONNUTSZLVMA-JTQLQIEISA-N 0 0 302.399 3.529 50 0 DHAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCCC1 ZINC000000621202 563271134 /nfs/dbraw/zinc/27/11/34/563271134.db2.gz UGYKGEDSRUCPII-UHFFFAOYSA-N 0 0 308.592 3.648 50 0 DHAARN CCc1cccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)c1 ZINC000000621413 563271322 /nfs/dbraw/zinc/27/13/22/563271322.db2.gz DUZOPRVSMWFSHA-GOSISDBHSA-N 0 0 324.424 3.642 50 0 DHAARN CCC(=O)N(Cc1ccco1)c1nc2ccc(OC)cc2s1 ZINC000010528334 563272293 /nfs/dbraw/zinc/27/22/93/563272293.db2.gz SLWLTVWVCAZRRG-UHFFFAOYSA-N 0 0 316.382 3.841 50 0 DHAARN O=C1C[C@H](c2cccc(Cl)c2)c2cc3c(cc2N1)OCCO3 ZINC000000816163 563272547 /nfs/dbraw/zinc/27/25/47/563272547.db2.gz ARERPZRORZFENR-GFCCVEGCSA-N 0 0 315.756 3.585 50 0 DHAARN Cc1noc(C)c1NC(=O)NCc1ccc(Cl)cc1Cl ZINC000001034917 563275042 /nfs/dbraw/zinc/27/50/42/563275042.db2.gz CPKJOFOPTJNFMU-UHFFFAOYSA-N 0 0 314.172 3.920 50 0 DHAARN COc1ccc(N2C(=S)N=NC2c2cccc(Cl)c2)cc1 ZINC000001078747 563277160 /nfs/dbraw/zinc/27/71/60/563277160.db2.gz UEOMQOQLZYAYOU-UHFFFAOYSA-N 0 0 317.801 3.885 50 0 DHAARN Cc1ncsc1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000071882949 563278519 /nfs/dbraw/zinc/27/85/19/563278519.db2.gz NSYVVRUCJIMMDA-SECBINFHSA-N 0 0 309.460 3.697 50 0 DHAARN O=C1S/C(=C\c2cccnc2)C(=O)N1c1ccc(Cl)cc1 ZINC000001197189 563279251 /nfs/dbraw/zinc/27/92/51/563279251.db2.gz IXDGSZKVVCBEJF-JYRVWZFOSA-N 0 0 316.769 3.976 50 0 DHAARN CCn1nc(NC(=O)c2ccco2)c2cc3cccc(C)c3nc21 ZINC000001294330 563280779 /nfs/dbraw/zinc/28/07/79/563280779.db2.gz PNIAJYHMLHXQDJ-UHFFFAOYSA-N 0 0 320.352 3.758 50 0 DHAARN COc1cc(F)c(NC(=O)c2cc3ccccc3[nH]2)cc1OC ZINC000071884396 563281663 /nfs/dbraw/zinc/28/16/63/563281663.db2.gz LZJKXEYMRQJVBD-UHFFFAOYSA-N 0 0 314.316 3.577 50 0 DHAARN CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000001433422 563283523 /nfs/dbraw/zinc/28/35/23/563283523.db2.gz SQJWZSZKXPYXAM-HNNXBMFYSA-N 0 0 319.401 3.519 50 0 DHAARN CCOc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000001514778 563284915 /nfs/dbraw/zinc/28/49/15/563284915.db2.gz AZDNHWOSRQDECU-UHFFFAOYSA-N 0 0 302.399 3.673 50 0 DHAARN Fc1c(F)c(F)c(Br)c(Br)c1F ZINC000001845645 563296634 /nfs/dbraw/zinc/29/66/34/563296634.db2.gz IPLUWQPTPKNBRD-UHFFFAOYSA-N 0 0 307.866 3.768 50 0 DHAARN COc1c(C(=O)NCCOc2ccccc2)ccc2ccccc21 ZINC000002360413 563303108 /nfs/dbraw/zinc/30/31/08/563303108.db2.gz PVGUVEWKQAFIFM-UHFFFAOYSA-N 0 0 321.376 3.657 50 0 DHAARN CC(C)(C)OC(=O)Nc1ccc(I)cc1 ZINC000002508659 563305039 /nfs/dbraw/zinc/30/50/39/563305039.db2.gz CGALRQWBJFDAKN-UHFFFAOYSA-N 0 0 319.142 3.638 50 0 DHAARN O=C(NC(=S)Nc1c(Cl)cccc1Cl)c1ccoc1 ZINC000002532392 563307820 /nfs/dbraw/zinc/30/78/20/563307820.db2.gz YCXISBLXDOZWST-UHFFFAOYSA-N 0 0 315.181 3.713 50 0 DHAARN O=C1NC(=S)SC1=Cc1ccc(Br)cc1 ZINC000002536858 563308444 /nfs/dbraw/zinc/30/84/44/563308444.db2.gz ZVYBZARCCHWNBP-VMPITWQZSA-N 0 0 300.202 3.778 50 0 DHAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(C)C ZINC000002536787 563308464 /nfs/dbraw/zinc/30/84/64/563308464.db2.gz SKHFXYLPNPQFLQ-KPKJPENVSA-N 0 0 309.412 3.812 50 0 DHAARN FC(F)(F)c1cccc(Cl)c1I ZINC000002568249 563309755 /nfs/dbraw/zinc/30/97/55/563309755.db2.gz IEWCYWSKUHXVED-UHFFFAOYSA-N 0 0 306.452 3.963 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(F)c1 ZINC000002741964 563311986 /nfs/dbraw/zinc/31/19/86/563311986.db2.gz IWYCOWUNHVEIHD-UHFFFAOYSA-N 0 0 307.346 3.543 50 0 DHAARN CCn1cc(CNC(=O)c2sc3ccccc3c2Cl)cn1 ZINC000002766995 563313004 /nfs/dbraw/zinc/31/30/04/563313004.db2.gz AVILLENRNLSFKD-UHFFFAOYSA-N 0 0 319.817 3.701 50 0 DHAARN Cn1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000002802701 563313881 /nfs/dbraw/zinc/31/38/81/563313881.db2.gz QJZURBYLVUVIFW-UHFFFAOYSA-N 0 0 316.813 3.879 50 0 DHAARN CCCCOc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000002870303 563315700 /nfs/dbraw/zinc/31/57/00/563315700.db2.gz ROQFDZJZSAMUBO-UHFFFAOYSA-N 0 0 301.361 3.935 50 0 biogenic DHAARN CCOc1ccccc1-c1nc2ccc(Cl)cc2c(=O)o1 ZINC000002873896 563316113 /nfs/dbraw/zinc/31/61/13/563316113.db2.gz JAZUPUPFROLUEB-UHFFFAOYSA-N 0 0 301.729 3.907 50 0 DHAARN O=S(=O)(Nc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000002884556 563316743 /nfs/dbraw/zinc/31/67/43/563316743.db2.gz DIKJRNOHDICRPG-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN COc1ccccc1CC(=O)Nc1ccc(Br)cc1 ZINC000002933467 563318329 /nfs/dbraw/zinc/31/83/29/563318329.db2.gz QDGNNGWQBOUGSF-UHFFFAOYSA-N 0 0 320.186 3.639 50 0 DHAARN CC(C)Oc1cccc(-c2nc(C(=O)NCC3CC3)cs2)c1 ZINC000034717398 563318419 /nfs/dbraw/zinc/31/84/19/563318419.db2.gz OHNSIRXURNNRTI-UHFFFAOYSA-N 0 0 316.426 3.737 50 0 DHAARN CCOc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000002979255 563318601 /nfs/dbraw/zinc/31/86/01/563318601.db2.gz YKENDUQIEURRHQ-UHFFFAOYSA-N 0 0 315.344 3.826 50 0 DHAARN CCOc1ccccc1NC(=O)CCC(=O)c1ccc(F)cc1 ZINC000002976000 563318993 /nfs/dbraw/zinc/31/89/93/563318993.db2.gz LMGRYTRYVYYIPB-UHFFFAOYSA-N 0 0 315.344 3.826 50 0 DHAARN CCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000002993503 563319923 /nfs/dbraw/zinc/31/99/23/563319923.db2.gz AJESHRGMSYCDPZ-OAHLLOKOSA-N 0 0 324.424 3.845 50 0 DHAARN CC[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000002990915 563319971 /nfs/dbraw/zinc/31/99/71/563319971.db2.gz GSONOHQUYCWEFY-AWEZNQCLSA-N 0 0 319.202 3.725 50 0 DHAARN O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000003261217 563323766 /nfs/dbraw/zinc/32/37/66/563323766.db2.gz NZUNUTJCHKWAGA-UHFFFAOYSA-N 0 0 314.728 3.747 50 0 DHAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)C2CC2)cc1 ZINC000034795929 563324545 /nfs/dbraw/zinc/32/45/45/563324545.db2.gz POZQLPJSISMNGE-UHFFFAOYSA-N 0 0 313.401 3.632 50 0 DHAARN Cc1nc2ccc(C)cc2n1C1CCN(C(=O)C2(C)CC2)CC1 ZINC000034915330 563325046 /nfs/dbraw/zinc/32/50/46/563325046.db2.gz JBIPFWMLXZMTQX-UHFFFAOYSA-N 0 0 311.429 3.617 50 0 DHAARN CC(C)CCN1C[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC1=O ZINC000034918545 563325136 /nfs/dbraw/zinc/32/51/36/563325136.db2.gz IASSDVWGORRJEC-MRXNPFEDSA-N 0 0 316.445 3.643 50 0 DHAARN Cc1cccc(N2C[C@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)c1 ZINC000034916274 563325351 /nfs/dbraw/zinc/32/53/51/563325351.db2.gz XKFIUJRRUGOOKR-MRXNPFEDSA-N 0 0 322.408 3.603 50 0 DHAARN CCc1nnc([C@H](C)Sc2nccn2-c2cccc(F)c2)o1 ZINC000071893932 563325723 /nfs/dbraw/zinc/32/57/23/563325723.db2.gz HHIYONKLCFHENR-JTQLQIEISA-N 0 0 318.377 3.810 50 0 DHAARN CCOC[C@H]1CCCN(C(=O)NCC[C@H](C)c2ccccc2)C1 ZINC000071905357 563331629 /nfs/dbraw/zinc/33/16/29/563331629.db2.gz WBDBYFBNMKGTKQ-IRXDYDNUSA-N 0 0 318.461 3.638 50 0 DHAARN COc1ccc(Nc2ccccc2C(=O)NCC(F)(F)F)cc1 ZINC000071906900 563332188 /nfs/dbraw/zinc/33/21/88/563332188.db2.gz UBRCULFJUZEUPI-UHFFFAOYSA-N 0 0 324.302 3.731 50 0 DHAARN C[C@H](NC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1)C1CC1 ZINC000071909581 563333118 /nfs/dbraw/zinc/33/31/18/563333118.db2.gz DQJTWPMDLIJDDX-YTEVENLXSA-N 0 0 322.474 3.654 50 0 DHAARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)s1 ZINC000006727380 563334092 /nfs/dbraw/zinc/33/40/92/563334092.db2.gz ZNMGWIUOIBKCTG-ZDUSSCGKSA-N 0 0 319.455 3.535 50 0 DHAARN O=C1C=C(c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000006864070 563334346 /nfs/dbraw/zinc/33/43/46/563334346.db2.gz MDCYQGRGADEEKU-UHFFFAOYSA-N 0 0 318.159 3.950 50 0 DHAARN O=C1C[C@@H](c2ccccc2F)c2c(n[nH]c2-c2ccccc2)N1 ZINC000006909431 563335420 /nfs/dbraw/zinc/33/54/20/563335420.db2.gz BNQGGQUFILYMRW-ZDUSSCGKSA-N 0 0 307.328 3.690 50 0 DHAARN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000007405560 563338622 /nfs/dbraw/zinc/33/86/22/563338622.db2.gz FZYZCBQDLVSLMH-UHFFFAOYSA-N 0 0 321.707 3.558 50 0 DHAARN O=S(=O)(Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000007401967 563338781 /nfs/dbraw/zinc/33/87/81/563338781.db2.gz YVEXCMQCJGFLOH-UHFFFAOYSA-N 0 0 319.279 3.645 50 0 DHAARN O=C(NCCCOCCc1ccccc1)Nc1ccccc1F ZINC000048051341 563339479 /nfs/dbraw/zinc/33/94/79/563339479.db2.gz JPRXJRMLAOOXFM-UHFFFAOYSA-N 0 0 316.376 3.597 50 0 DHAARN CCN(Cc1ccoc1)C(=O)c1nc(C)oc1-c1ccccc1 ZINC000097376239 563339710 /nfs/dbraw/zinc/33/97/10/563339710.db2.gz DLFSBHWOZRGYHZ-UHFFFAOYSA-N 0 0 310.353 3.905 50 0 DHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(F)cc1 ZINC000002742916 563341335 /nfs/dbraw/zinc/34/13/35/563341335.db2.gz JLTFDFOEECRADN-LLVKDONJSA-N 0 0 307.752 3.563 50 0 DHAARN CCCc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cs1 ZINC000002743956 563341529 /nfs/dbraw/zinc/34/15/29/563341529.db2.gz RYFLHOTVNFKHOA-UHFFFAOYSA-N 0 0 322.455 3.730 50 0 DHAARN CCC[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)OCC ZINC000071921903 563345943 /nfs/dbraw/zinc/34/59/43/563345943.db2.gz MSVGAPRLCDMMAG-GFCCVEGCSA-N 0 0 306.387 3.561 50 0 DHAARN COc1ccc(Cl)cc1C(=O)Nc1cccc([C@H](C)O)c1 ZINC000008383024 563346571 /nfs/dbraw/zinc/34/65/71/563346571.db2.gz DWFFJKDSXXUYOK-JTQLQIEISA-N 0 0 305.761 3.654 50 0 DHAARN CCC[C@]1(C)Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000003057358 563347385 /nfs/dbraw/zinc/34/73/85/563347385.db2.gz XWSPNAYKFBCYTE-OAHLLOKOSA-N 0 0 302.403 3.581 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2cc3cc(C)ccc3n2C)c1 ZINC000008614921 563347692 /nfs/dbraw/zinc/34/76/92/563347692.db2.gz NPPOLQCLILZRDO-UHFFFAOYSA-N 0 0 324.380 3.756 50 0 DHAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1 ZINC000008770394 563349680 /nfs/dbraw/zinc/34/96/80/563349680.db2.gz AUORXTPJAITHLV-UHFFFAOYSA-N 0 0 300.343 3.751 50 0 DHAARN CC(C)CN(C(=O)CN[C@H](C)c1ccccc1Cl)C1CC1 ZINC000097473746 563350869 /nfs/dbraw/zinc/35/08/69/563350869.db2.gz JCFZBJRYRQJLTC-CYBMUJFWSA-N 0 0 308.853 3.638 50 0 DHAARN O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)n1cccc1 ZINC000008904912 563351469 /nfs/dbraw/zinc/35/14/69/563351469.db2.gz IWAAZGNCICEKKZ-FQEVSTJZSA-N 0 0 318.420 3.631 50 0 DHAARN CCCCCc1c(C)nc(Nc2ccccc2OC)[nH]c1=O ZINC000009014244 563351583 /nfs/dbraw/zinc/35/15/83/563351583.db2.gz OUHQEEFVCDQAAS-UHFFFAOYSA-N 0 0 301.390 3.563 50 0 DHAARN COc1ccc(C(=O)c2ccccc2Br)cc1OC ZINC000009584566 563354078 /nfs/dbraw/zinc/35/40/78/563354078.db2.gz BHZSOKWPEYSWAP-UHFFFAOYSA-N 0 0 321.170 3.697 50 0 DHAARN Cc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1 ZINC000010155838 563355591 /nfs/dbraw/zinc/35/55/91/563355591.db2.gz GITOGNQHXAFPLW-INIZCTEOSA-N 0 0 311.381 3.805 50 0 DHAARN CC[C@H](c1nn2c(nnc2-c2ccccn2)s1)c1ccccc1 ZINC000010312396 563356013 /nfs/dbraw/zinc/35/60/13/563356013.db2.gz BKZIUTCVOZHRTC-ZDUSSCGKSA-N 0 0 321.409 3.790 50 0 DHAARN CN(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 ZINC000012138576 563362263 /nfs/dbraw/zinc/36/22/63/563362263.db2.gz DUDWSRHTHFBRKU-UHFFFAOYSA-N 0 0 310.397 3.948 50 0 DHAARN CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000012138290 563362279 /nfs/dbraw/zinc/36/22/79/563362279.db2.gz DDGSZGJTZYGOSW-UHFFFAOYSA-N 0 0 310.397 3.997 50 0 DHAARN CC(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012123828 563362595 /nfs/dbraw/zinc/36/25/95/563362595.db2.gz CNFGOPBOHJBHLO-CYBMUJFWSA-N 0 0 307.802 3.508 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000012404396 563368836 /nfs/dbraw/zinc/36/88/36/563368836.db2.gz FFXZGHZAWYPYGL-LBPRGKRZSA-N 0 0 314.360 3.606 50 0 DHAARN COCCNC(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000012432940 563369723 /nfs/dbraw/zinc/36/97/23/563369723.db2.gz BRTKSCRKKUSZHM-KRWDZBQOSA-N 0 0 317.816 3.625 50 0 DHAARN CCN(CC)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000012444834 563369963 /nfs/dbraw/zinc/36/99/63/563369963.db2.gz TZKLACZSMLTTDR-UHFFFAOYSA-N 0 0 317.389 3.684 50 0 DHAARN CC[C@H]1CCc2sc(C(=O)NCc3ccccn3)cc2C1 ZINC000012545117 563370976 /nfs/dbraw/zinc/37/09/76/563370976.db2.gz FBBAYKIZERPSDJ-LBPRGKRZSA-N 0 0 300.427 3.588 50 0 DHAARN CC(=O)[C@@H]1CCCN(Cc2nc(-c3cccc(C)c3)oc2C)C1 ZINC000012612502 563371693 /nfs/dbraw/zinc/37/16/93/563371693.db2.gz RCQZPLPAFMRTES-QGZVFWFLSA-N 0 0 312.413 3.759 50 0 DHAARN Cc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)o1 ZINC000012592683 563371814 /nfs/dbraw/zinc/37/18/14/563371814.db2.gz YDBGWHQNAGPMMQ-NSHDSACASA-N 0 0 301.346 3.732 50 0 DHAARN C[C@@H]1C[C@H](C)CN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000012629329 563372314 /nfs/dbraw/zinc/37/23/14/563372314.db2.gz SAYTUDPIINRNJW-PHIMTYICSA-N 0 0 316.228 3.877 50 0 DHAARN COc1ccc([C@@H](C)O)cc1NC(=O)c1ccc(Cl)cc1 ZINC000012854923 563374834 /nfs/dbraw/zinc/37/48/34/563374834.db2.gz QGOSMAVNSLBIRQ-SNVBAGLBSA-N 0 0 305.761 3.654 50 0 DHAARN Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000032674608 563375133 /nfs/dbraw/zinc/37/51/33/563375133.db2.gz JDCMNCDWOKKFSV-JTQLQIEISA-N 0 0 306.793 3.755 50 0 DHAARN O=C(OC[C@@H]1CCCO1)c1cc(-c2ccco2)nc2ccccc21 ZINC000032666408 563375419 /nfs/dbraw/zinc/37/54/19/563375419.db2.gz WZDHJNUZGVOXMU-ZDUSSCGKSA-N 0 0 323.348 3.831 50 0 DHAARN CCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 ZINC000032678865 563375577 /nfs/dbraw/zinc/37/55/77/563375577.db2.gz GJCPKXUGFNGCCA-UHFFFAOYSA-N 0 0 314.414 3.841 50 0 DHAARN Cc1nn(-c2ccc(C(=O)NC3CCCC3)cc2)c(C)c1Cl ZINC000012976293 563376294 /nfs/dbraw/zinc/37/62/94/563376294.db2.gz IWFRTGGVIQGWKB-UHFFFAOYSA-N 0 0 317.820 3.815 50 0 DHAARN CCc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000013000516 563376569 /nfs/dbraw/zinc/37/65/69/563376569.db2.gz AUJPFKKOZRNLAA-FQEVSTJZSA-N 0 0 322.452 3.701 50 0 DHAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3)n2)C1 ZINC000012992791 563376735 /nfs/dbraw/zinc/37/67/35/563376735.db2.gz YDVKSJSAZSJAFI-CYBMUJFWSA-N 0 0 315.442 3.627 50 0 DHAARN CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1O ZINC000013122807 563378270 /nfs/dbraw/zinc/37/82/70/563378270.db2.gz ZBBWVSQYLJQTIB-UHFFFAOYSA-N 0 0 317.288 3.711 50 0 DHAARN COc1cccc([C@@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)c1 ZINC000013131266 563378993 /nfs/dbraw/zinc/37/89/93/563378993.db2.gz 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BDYNYXINAYHYHG-UHFFFAOYSA-N 0 0 300.427 3.832 50 0 DHAARN Cc1c(C)n(-c2cc(C)ccn2)c2ncnc(NCC(C)C)c12 ZINC000013719236 563387446 /nfs/dbraw/zinc/38/74/46/563387446.db2.gz IXXXFMGCYVHZIS-UHFFFAOYSA-N 0 0 309.417 3.809 50 0 DHAARN COc1ccc(-c2nnc3sc(-c4ccsc4)nn32)cc1 ZINC000013719975 563387533 /nfs/dbraw/zinc/38/75/33/563387533.db2.gz WXUIOQSEXWIFBP-UHFFFAOYSA-N 0 0 314.395 3.590 50 0 DHAARN Cc1ccc(C(=O)CCC(=O)N2CCc3ccccc3C2)cc1C ZINC000032747647 563390112 /nfs/dbraw/zinc/39/01/12/563390112.db2.gz HCRWHXYSVZSXHJ-UHFFFAOYSA-N 0 0 321.420 3.851 50 0 DHAARN CCCCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1OC ZINC000013839689 563390192 /nfs/dbraw/zinc/39/01/92/563390192.db2.gz AEICVQAATGMLRO-UHFFFAOYSA-N 0 0 306.406 3.809 50 0 DHAARN CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2Cl)c1 ZINC000032754254 563390781 /nfs/dbraw/zinc/39/07/81/563390781.db2.gz WCMPEGINHWPHGY-UHFFFAOYSA-N 0 0 320.751 3.619 50 0 DHAARN CC(=O)Nc1cccc(Nc2nnc(SCC(C)C)s2)c1 ZINC000032778989 563394259 /nfs/dbraw/zinc/39/42/59/563394259.db2.gz 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/nfs/dbraw/zinc/40/29/44/563402944.db2.gz VVQXSDXWXRQVEE-LBPRGKRZSA-N 0 0 310.328 3.780 50 0 DHAARN Cc1ccc(SCCNC(=O)CSc2ccccc2)cc1 ZINC000014803662 563403595 /nfs/dbraw/zinc/40/35/95/563403595.db2.gz XMOFCLVEDPPBIO-UHFFFAOYSA-N 0 0 317.479 3.996 50 0 DHAARN COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2Cl)c1C ZINC000014861235 563403802 /nfs/dbraw/zinc/40/38/02/563403802.db2.gz PICVQWULWKUBFI-UHFFFAOYSA-N 0 0 320.776 3.632 50 0 DHAARN O=C(c1cccs1)N1CCO[C@H](CCCc2ccccc2)C1 ZINC000015074173 563407062 /nfs/dbraw/zinc/40/70/62/563407062.db2.gz WJTUWJUEAIBNPA-MRXNPFEDSA-N 0 0 315.438 3.612 50 0 DHAARN C[C@@H](CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000015176484 563407639 /nfs/dbraw/zinc/40/76/39/563407639.db2.gz KSYKRCJQEWSZJR-HNNXBMFYSA-N 0 0 322.408 3.946 50 0 DHAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3sccc3C2)o1 ZINC000032883753 563407646 /nfs/dbraw/zinc/40/76/46/563407646.db2.gz DDMJDDLSYJAUHP-WFASDCNBSA-N 0 0 315.438 3.982 50 0 DHAARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 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O=C1c2ccccc2C(=O)N1Cc1ccccc1C(F)(F)F ZINC000010631045 563415771 /nfs/dbraw/zinc/41/57/71/563415771.db2.gz JTKZERSNWPUBHU-UHFFFAOYSA-N 0 0 305.255 3.502 50 0 DHAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000021299618 563417615 /nfs/dbraw/zinc/41/76/15/563417615.db2.gz DJBODTCDCWDELI-OAHLLOKOSA-N 0 0 320.392 3.757 50 0 DHAARN CCc1nnc2c(OCc3ccc(C)cc3)nc3ccccc3n12 ZINC000021356821 563418089 /nfs/dbraw/zinc/41/80/89/563418089.db2.gz RNWMPJNXUDVMLY-UHFFFAOYSA-N 0 0 318.380 3.727 50 0 DHAARN Cc1cc(N2CCCCC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021798939 563418450 /nfs/dbraw/zinc/41/84/50/563418450.db2.gz QHQCRHFJMODHHN-UHFFFAOYSA-N 0 0 310.376 3.834 50 0 DHAARN Cc1ccc(NC(=O)[C@H](Nc2ccn(C)n2)c2ccccc2)cc1 ZINC000010752241 563418549 /nfs/dbraw/zinc/41/85/49/563418549.db2.gz JCBWSQIHOHQROK-GOSISDBHSA-N 0 0 320.396 3.520 50 0 DHAARN O=C(Nc1c(F)cccc1Oc1ccccc1)[C@H]1CCOC1 ZINC000069898069 563420312 /nfs/dbraw/zinc/42/03/12/563420312.db2.gz AGDWFCJHOJECSW-LBPRGKRZSA-N 0 0 301.317 3.593 50 0 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DHAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cc(Br)c[nH]1 ZINC000025615308 563423461 /nfs/dbraw/zinc/42/34/61/563423461.db2.gz MPJGKUJJOQRYGA-JTQLQIEISA-N 0 0 307.191 3.610 50 0 DHAARN C[C@@H](NC(=O)CN1CCCc2cccc(F)c21)c1cccs1 ZINC000025510720 563423861 /nfs/dbraw/zinc/42/38/61/563423861.db2.gz FMLLSUHCYGPIMR-GFCCVEGCSA-N 0 0 318.417 3.517 50 0 DHAARN COc1ccccc1CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000025987439 563424333 /nfs/dbraw/zinc/42/43/33/563424333.db2.gz OZZDDVHRVZLSON-LBPRGKRZSA-N 0 0 318.804 3.909 50 0 DHAARN C[C@@H](NC(=O)NCc1cccnc1)c1ccc(Cl)cc1Cl ZINC000025987134 563424370 /nfs/dbraw/zinc/42/43/70/563424370.db2.gz UKBXWDDLSSYILD-SNVBAGLBSA-N 0 0 324.211 3.949 50 0 DHAARN CC(C)Oc1ccc(CCNC(=O)Cc2ccccc2F)cc1 ZINC000025893787 563424562 /nfs/dbraw/zinc/42/45/62/563424562.db2.gz RCNCYGNVNWSQOK-UHFFFAOYSA-N 0 0 315.388 3.514 50 0 DHAARN C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000026187763 563425060 /nfs/dbraw/zinc/42/50/60/563425060.db2.gz GDWWBSVFYPZFRT-LLVKDONJSA-N 0 0 323.318 3.661 50 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Cc1cc2c(cc1C)N1CCCN=C1N2CC(=O)c1ccccc1 ZINC000035165560 563452431 /nfs/dbraw/zinc/45/24/31/563452431.db2.gz GFYSCHVSHVFALA-UHFFFAOYSA-N 0 0 319.408 3.572 50 0 DHAARN c1ccc(-c2nnc3n2N=CC=C(c2ccccc2)S3)cc1 ZINC000035287215 563452565 /nfs/dbraw/zinc/45/25/65/563452565.db2.gz ZJDZESDIUMDXNN-UHFFFAOYSA-N 0 0 304.378 3.926 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)n1 ZINC000032971453 563454158 /nfs/dbraw/zinc/45/41/58/563454158.db2.gz DNPPQRMNUIKGRK-UHFFFAOYSA-N 0 0 320.352 3.570 50 0 DHAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)c1 ZINC000036567539 563455391 /nfs/dbraw/zinc/45/53/91/563455391.db2.gz MTSGHZFSFVEUJH-UHFFFAOYSA-N 0 0 308.381 3.904 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1 ZINC000036621023 563456016 /nfs/dbraw/zinc/45/60/16/563456016.db2.gz IDMSTPZAGKIQPI-QGZVFWFLSA-N 0 0 319.401 3.660 50 0 DHAARN Cc1ccc(Cl)c2sc(NCCCn3ccnc3)nc21 ZINC000036657645 563456967 /nfs/dbraw/zinc/45/69/67/563456967.db2.gz JZUFNBWMODHDTD-UHFFFAOYSA-N 0 0 306.822 3.957 50 0 DHAARN O=C(Nc1cnc(-c2ccc(F)cc2)nc1)c1ccc(F)cc1 ZINC000097938616 563460815 /nfs/dbraw/zinc/46/08/15/563460815.db2.gz WFEFLNAXZSOYBO-UHFFFAOYSA-N 0 0 311.291 3.674 50 0 DHAARN Cc1ccc(-c2c(C(=O)N3CCCCC3)nc3ccccn32)cc1 ZINC000097939278 563461402 /nfs/dbraw/zinc/46/14/02/563461402.db2.gz VWDAFKVBBNFKRV-UHFFFAOYSA-N 0 0 319.408 3.936 50 0 DHAARN CC(C)Nc1ccc(F)cc1NCC(=O)N1CCCCCCC1 ZINC000072312421 563465802 /nfs/dbraw/zinc/46/58/02/563465802.db2.gz SSHUJGSAAWOACI-UHFFFAOYSA-N 0 0 321.440 3.851 50 0 DHAARN CC(C)(C)OC(=O)Nc1c2c(ccc1Br)OCO2 ZINC000085210725 563466992 /nfs/dbraw/zinc/46/69/92/563466992.db2.gz JMDLHOQJZIIQMX-UHFFFAOYSA-N 0 0 316.151 3.525 50 0 DHAARN Cc1ccc(C)c(OCCN(C)Cc2nc3ccccc3n2C)c1 ZINC000055119844 563471907 /nfs/dbraw/zinc/47/19/07/563471907.db2.gz RKIFPLBTMGWUAX-UHFFFAOYSA-N 0 0 323.440 3.701 50 0 DHAARN COCCN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(C)cc1 ZINC000055228220 563472900 /nfs/dbraw/zinc/47/29/00/563472900.db2.gz UXZCLLLKTZMQKY-UHFFFAOYSA-N 0 0 315.461 3.664 50 0 DHAARN Fc1cccc(F)c1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055291991 563473894 /nfs/dbraw/zinc/47/38/94/563473894.db2.gz MZHRIEHYGIGWNY-UHFFFAOYSA-N 0 0 322.786 3.940 50 0 DHAARN CC(=O)c1ccc(N2CCN(Cc3ccc(C)s3)CC2)cc1 ZINC000055292200 563473915 /nfs/dbraw/zinc/47/39/15/563473915.db2.gz UXJXYJYTBMUOBR-UHFFFAOYSA-N 0 0 314.454 3.581 50 0 DHAARN CCSc1nc(CC(=O)Nc2ccnn2[C@@H](C)CC)cs1 ZINC000055414006 563475480 /nfs/dbraw/zinc/47/54/80/563475480.db2.gz PFJDQMZZIJKVLC-JTQLQIEISA-N 0 0 324.475 3.604 50 0 DHAARN COc1ccccc1CN1CCN(c2ccccc2Cl)CC1 ZINC000055543148 563476364 /nfs/dbraw/zinc/47/63/64/563476364.db2.gz JUQVLWBXKAOADO-UHFFFAOYSA-N 0 0 316.832 3.671 50 0 DHAARN Fc1ccccc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000055543512 563476634 /nfs/dbraw/zinc/47/66/34/563476634.db2.gz ALONLAGUXLFKHN-UHFFFAOYSA-N 0 0 304.796 3.801 50 0 DHAARN O[C@@H](CN[C@@H](Cc1ccccc1)C(F)(F)F)c1ccsc1 ZINC000095422954 563477408 /nfs/dbraw/zinc/47/74/08/563477408.db2.gz GGVVHUBONVPRLG-KBPBESRZSA-N 0 0 315.360 3.545 50 0 DHAARN CCN(C(=O)NCc1ccc(F)cc1)[C@@H](C)c1cccc(O)c1 ZINC000058019044 563478745 /nfs/dbraw/zinc/47/87/45/563478745.db2.gz DEJPHSWJNNYNAS-ZDUSSCGKSA-N 0 0 316.376 3.824 50 0 DHAARN CC(C)C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000096403818 563479389 /nfs/dbraw/zinc/47/93/89/563479389.db2.gz GOGCBWLZBDWHGR-UHFFFAOYSA-N 0 0 313.835 3.937 50 0 DHAARN C[C@H]1CN(CC(=O)Nc2cccc(F)c2)c2ccccc2S1 ZINC000033059200 563479576 /nfs/dbraw/zinc/47/95/76/563479576.db2.gz XTFXHSMPMPZOOH-LBPRGKRZSA-N 0 0 316.401 3.765 50 0 DHAARN Cc1ccc(C[C@H](C)NC(=O)N(C)[C@@H](C)c2ccncc2)s1 ZINC000096415587 563480658 /nfs/dbraw/zinc/48/06/58/563480658.db2.gz OEFDHVXMDRNHFK-JSGCOSHPSA-N 0 0 317.458 3.785 50 0 DHAARN CCO[C@@H](C)c1nc(Cn2ccnc2-c2ccccn2)cs1 ZINC000096418340 563481075 /nfs/dbraw/zinc/48/10/75/563481075.db2.gz LZINMLNLNDWINW-LBPRGKRZSA-N 0 0 314.414 3.547 50 0 DHAARN O=C(N[C@H](c1nccs1)C1CC1)c1cc2c(s1)CCC2 ZINC000096425543 563481359 /nfs/dbraw/zinc/48/13/59/563481359.db2.gz JMUVFELGOKSYBA-ZDUSSCGKSA-N 0 0 304.440 3.574 50 0 DHAARN Cc1nc(COc2ccc(OCC(F)(F)F)cc2)oc1C ZINC000096429041 563481394 /nfs/dbraw/zinc/48/13/94/563481394.db2.gz JBXZYRJNSGSGJE-UHFFFAOYSA-N 0 0 301.264 3.812 50 0 DHAARN CCSc1nnc(SCc2c(C)nc3ccccn32)s1 ZINC000096424796 563481476 /nfs/dbraw/zinc/48/14/76/563481476.db2.gz QJRSVEVRQQXFGJ-UHFFFAOYSA-N 0 0 322.484 3.899 50 0 DHAARN COc1c(Cl)cccc1NCc1nccn1CC(F)(F)F ZINC000096427463 563481547 /nfs/dbraw/zinc/48/15/47/563481547.db2.gz YNZGXLOMBCFBTP-UHFFFAOYSA-N 0 0 319.714 3.720 50 0 DHAARN C[C@@H]1CCCN(c2ccccc2OCc2nnc(C3CC3)o2)C1 ZINC000096428904 563481717 /nfs/dbraw/zinc/48/17/17/563481717.db2.gz UGOOFQWRLQSTBX-CYBMUJFWSA-N 0 0 313.401 3.762 50 0 DHAARN Cc1csc(C2(NC(=O)CC[C@@H]3CC[C@H](C)O3)CCCC2)n1 ZINC000096441084 563482409 /nfs/dbraw/zinc/48/24/09/563482409.db2.gz MDFNKEQASVEHRL-KBPBESRZSA-N 0 0 322.474 3.685 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c1 ZINC000096433182 563482469 /nfs/dbraw/zinc/48/24/69/563482469.db2.gz OMGVBOIOLGBHAI-ZBEGNZNMSA-N 0 0 314.385 3.732 50 0 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PDONRFFCGHXJBT-UHFFFAOYSA-N 0 0 308.385 3.790 50 0 DHAARN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCCCCC1 ZINC000080924358 563619550 /nfs/dbraw/zinc/61/95/50/563619550.db2.gz JVWRDRWOMLRNGG-UHFFFAOYSA-N 0 0 311.385 3.630 50 0 DHAARN COc1ccc(-c2noc(-c3ccccc3F)n2)cc1OC ZINC000000467717 563620286 /nfs/dbraw/zinc/62/02/86/563620286.db2.gz LHKZYYJDUYRKKZ-UHFFFAOYSA-N 0 0 300.289 3.560 50 0 DHAARN O=C1CCCN1c1cccc(-c2csc([C@H]3CCCO3)n2)c1 ZINC000136492876 563622070 /nfs/dbraw/zinc/62/20/70/563622070.db2.gz JFHOTBKEWLLJAN-OAHLLOKOSA-N 0 0 314.410 3.788 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003231803 563622145 /nfs/dbraw/zinc/62/21/45/563622145.db2.gz NXKKFTHCRZMBCF-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN COc1ccc(OCC(=O)Oc2cccc3ccccc32)cc1 ZINC000006213646 563624773 /nfs/dbraw/zinc/62/47/73/563624773.db2.gz GLCKAOZANIYRBU-UHFFFAOYSA-N 0 0 308.333 3.833 50 0 DHAARN COc1cc(C)c(Cc2cc(OC)c(OC)cc2C)cc1OC ZINC000034466271 563625535 /nfs/dbraw/zinc/62/55/35/563625535.db2.gz 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GTLPTWZRVXPARA-UHFFFAOYSA-N 0 0 305.399 3.743 50 0 DHAARN COC(=O)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000000306457 563629369 /nfs/dbraw/zinc/62/93/69/563629369.db2.gz YVZACCHOWIKSPP-UHFFFAOYSA-N 0 0 303.745 3.687 50 0 DHAARN CC1=NN(C(=S)c2ccccc2)[C@@](C)(O)[C@H]1Cc1ccccc1 ZINC000000432598 563630401 /nfs/dbraw/zinc/63/04/01/563630401.db2.gz AGLUYOLFYBCAIL-HKUYNNGSSA-N 0 0 324.449 3.621 50 0 DHAARN Cn1c2ccccc2nc1NCc1cccc(Br)c1 ZINC000000527216 563630416 /nfs/dbraw/zinc/63/04/16/563630416.db2.gz FMAYRWJOWQYEHH-UHFFFAOYSA-N 0 0 316.202 3.948 50 0 DHAARN O=C1C[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1 ZINC000100606053 563632095 /nfs/dbraw/zinc/63/20/95/563632095.db2.gz CXLGQRXSQBRXHM-GOSISDBHSA-N 0 0 316.360 3.584 50 0 DHAARN Cc1n[nH]c(C)c1CC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000189443992 563639015 /nfs/dbraw/zinc/63/90/15/563639015.db2.gz CZOSAQWTOGEPFI-UHFFFAOYSA-N 0 0 321.808 3.648 50 0 DHAARN CC(C)c1ccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100936547 563646895 /nfs/dbraw/zinc/64/68/95/563646895.db2.gz YCSPCLGEVAAJOU-KRWDZBQOSA-N 0 0 308.381 3.554 50 0 DHAARN FC(F)(F)C(Oc1ccc(Br)cn1)C(F)(F)F ZINC000169725485 563647703 /nfs/dbraw/zinc/64/77/03/563647703.db2.gz NXWCIWKCSNYANC-UHFFFAOYSA-N 0 0 324.018 3.716 50 0 DHAARN CC(C)Oc1ccc([C@@H](CCN2C(=O)CCC2=O)C(C)C)cc1 ZINC000000488808 563649073 /nfs/dbraw/zinc/64/90/73/563649073.db2.gz UOXRIYDHORAUPX-KRWDZBQOSA-N 0 0 317.429 3.753 50 0 biogenic DHAARN CCc1cc(=O)oc2cc(OC(=O)c3cccc(OC)c3)ccc12 ZINC000000488841 563649078 /nfs/dbraw/zinc/64/90/78/563649078.db2.gz VQQABGWDVPHSNJ-UHFFFAOYSA-N 0 0 324.332 3.583 50 0 biogenic DHAARN COc1cc(OC)c(C(=O)Nc2ccccc2Cl)cc1OC ZINC000000496855 563650944 /nfs/dbraw/zinc/65/09/44/563650944.db2.gz KALKPSRYVKQNJZ-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN Cc1cc2c(nc(-c3ccc(Br)cc3)oc2=O)s1 ZINC000000503730 563654038 /nfs/dbraw/zinc/65/40/38/563654038.db2.gz WJMGQAOPSIONSR-UHFFFAOYSA-N 0 0 322.183 3.987 50 0 DHAARN CCc1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000000506647 563656958 /nfs/dbraw/zinc/65/69/58/563656958.db2.gz BYCWJQLEFLYVRT-KRWDZBQOSA-N 0 0 313.353 3.547 50 0 DHAARN C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccccc2Cl)C1 ZINC000102602592 563661136 /nfs/dbraw/zinc/66/11/36/563661136.db2.gz WIVMVBJXLBSOKH-RFAUZJTJSA-N 0 0 314.776 3.849 50 0 DHAARN Cc1nc(C2=C(N)N(CCc3cccs3)CC2=O)sc1C ZINC000102732054 563661883 /nfs/dbraw/zinc/66/18/83/563661883.db2.gz IXQXJTPOPLNMSJ-UHFFFAOYSA-N 0 0 319.455 3.626 50 0 DHAARN O=C1CCCC2=Nc3nonc3N[C@H](c3ccccc3Cl)C12 ZINC000102739694 563661970 /nfs/dbraw/zinc/66/19/70/563661970.db2.gz YRVNZQNMOGTGEV-CYBMUJFWSA-N 0 0 316.748 3.958 50 0 DHAARN Cc1csc(C2=C(N)N(c3cccc(Cl)c3)CC2=O)n1 ZINC000102740314 563662623 /nfs/dbraw/zinc/66/26/23/563662623.db2.gz KPVZORDIYQLQNN-UHFFFAOYSA-N 0 0 305.790 3.871 50 0 DHAARN Cc1ccc(CSc2nnc(-c3ccc(C)cc3)n2N)cc1 ZINC000000523612 563664484 /nfs/dbraw/zinc/66/44/84/563664484.db2.gz OEFVVMYVPLOXEK-UHFFFAOYSA-N 0 0 310.426 3.568 50 0 DHAARN CCO[P@@](=O)(c1ccccc1Cl)C1(O)CCCCC1 ZINC000000523440 563664644 /nfs/dbraw/zinc/66/46/44/563664644.db2.gz ZTVTWWKZQAFXIE-IBGZPJMESA-N 0 0 302.738 3.933 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1F ZINC000014199703 563665665 /nfs/dbraw/zinc/66/56/65/563665665.db2.gz PFGFNELXAZXCRY-UHFFFAOYSA-N 0 0 321.735 3.908 50 0 DHAARN O=C(C(c1ccccc1)c1ccccc1)n1nnc2ccccc21 ZINC000000544700 563669029 /nfs/dbraw/zinc/66/90/29/563669029.db2.gz CXIHLNYJACTDIG-UHFFFAOYSA-N 0 0 313.360 3.904 50 0 DHAARN Fc1ccc([C@H]2N3CCCN3C(=S)N2c2ccccc2)cc1 ZINC000000552419 563669888 /nfs/dbraw/zinc/66/98/88/563669888.db2.gz UYEWESFPTVLZDS-INIZCTEOSA-N 0 0 313.401 3.552 50 0 DHAARN Cc1cc(Br)ncc1NC(=O)/C=C\c1ccsc1 ZINC000104231985 563672831 /nfs/dbraw/zinc/67/28/31/563672831.db2.gz DCMLXNTXFATKAD-IHWYPQMZSA-N 0 0 323.215 3.866 50 0 DHAARN c1c(-c2ccccc2)sc2ncnc(NC[C@H]3CCCO3)c12 ZINC000000572921 563673587 /nfs/dbraw/zinc/67/35/87/563673587.db2.gz YFCIFEWXTQBVNT-CYBMUJFWSA-N 0 0 311.410 3.949 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1 ZINC000014795900 563673672 /nfs/dbraw/zinc/67/36/72/563673672.db2.gz WLDVDIHMMLNMMR-UHFFFAOYSA-N 0 0 307.397 3.800 50 0 DHAARN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)N1CCCC1 ZINC000046981403 563677879 /nfs/dbraw/zinc/67/78/79/563677879.db2.gz WPHAJVBNIIDFPI-UHFFFAOYSA-N 0 0 321.833 3.769 50 0 DHAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2cccnc2)on1 ZINC000046899673 563678258 /nfs/dbraw/zinc/67/82/58/563678258.db2.gz FKPNYJJRMVHEAO-MRXNPFEDSA-N 0 0 319.364 3.544 50 0 DHAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1 ZINC000047157734 563678901 /nfs/dbraw/zinc/67/89/01/563678901.db2.gz RLEWHHBVOBDKRF-UHFFFAOYSA-N 0 0 307.353 3.859 50 0 DHAARN O=C(NCc1ccccn1)c1cccnc1Sc1ccccc1 ZINC000036661076 563678933 /nfs/dbraw/zinc/67/89/33/563678933.db2.gz OVFKDNANBZIGSQ-UHFFFAOYSA-N 0 0 321.405 3.558 50 0 DHAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000012168239 563681029 /nfs/dbraw/zinc/68/10/29/563681029.db2.gz UMSVJHZUNAVAHG-UHFFFAOYSA-N 0 0 324.380 3.567 50 0 DHAARN CCn1c2ccc(Cl)cc2s/c1=N/C(=O)c1ccco1 ZINC000012180827 563681068 /nfs/dbraw/zinc/68/10/68/563681068.db2.gz ZJEFDRSZPHLSCA-JQIJEIRASA-N 0 0 306.774 3.710 50 0 DHAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccccc1C ZINC000012180894 563681121 /nfs/dbraw/zinc/68/11/21/563681121.db2.gz XCWYZKUURFRRTQ-HTXNQAPBSA-N 0 0 314.385 3.911 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)n[nH]2)cc1 ZINC000044837855 563684806 /nfs/dbraw/zinc/68/48/06/563684806.db2.gz XDBRSPCLHHGTAC-UHFFFAOYSA-N 0 0 305.381 3.970 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)n[nH]2)cc1 ZINC000044837867 563684863 /nfs/dbraw/zinc/68/48/63/563684863.db2.gz SPYGAHBEJMBLAU-AWEZNQCLSA-N 0 0 317.392 3.977 50 0 DHAARN COc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2)cc1OC ZINC000044845339 563685545 /nfs/dbraw/zinc/68/55/45/563685545.db2.gz LHTNJZIABDUQSM-NSHDSACASA-N 0 0 318.348 3.726 50 0 DHAARN Cc1ccccc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000044894125 563686161 /nfs/dbraw/zinc/68/61/61/563686161.db2.gz OSYNWWUJTWWXCJ-JTQLQIEISA-N 0 0 324.302 3.605 50 0 DHAARN O=C(c1cnc2ccccc2n1)N1CCC[C@H]1c1ccsc1 ZINC000044940782 563687067 /nfs/dbraw/zinc/68/70/67/563687067.db2.gz GLLXLFHEOSCCLR-INIZCTEOSA-N 0 0 309.394 3.669 50 0 DHAARN c1cc([C@@H]2CCCN2Cc2nc(-c3ccccn3)no2)cs1 ZINC000044975351 563687153 /nfs/dbraw/zinc/68/71/53/563687153.db2.gz YNLUMEFBOWDDEM-AWEZNQCLSA-N 0 0 312.398 3.530 50 0 DHAARN Cc1csc(NC(=O)c2csc(NCCC(C)C)n2)n1 ZINC000044921396 563687197 /nfs/dbraw/zinc/68/71/97/563687197.db2.gz IIGUHGROBAHGQO-UHFFFAOYSA-N 0 0 310.448 3.618 50 0 DHAARN C[C@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccccc1F ZINC000045035712 563687856 /nfs/dbraw/zinc/68/78/56/563687856.db2.gz NIOCEVIHHDLKEQ-CHWSQXEVSA-N 0 0 304.365 3.800 50 0 DHAARN CCCCCCNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000045125300 563688217 /nfs/dbraw/zinc/68/82/17/563688217.db2.gz QYJSKOFSMDQNFH-ZDUSSCGKSA-N 0 0 305.422 3.586 50 0 DHAARN C[C@@H](NC(=O)N[C@H]1CCSc2ccccc21)c1ccccn1 ZINC000045559980 563689396 /nfs/dbraw/zinc/68/93/96/563689396.db2.gz UORPWVCIQQNJBE-DOMZBBRYSA-N 0 0 313.426 3.679 50 0 DHAARN CCOC(=O)c1nc2ccccc2nc1Nc1ccccc1OC ZINC000045901002 563690473 /nfs/dbraw/zinc/69/04/73/563690473.db2.gz OIXGGIGXWHUPOS-UHFFFAOYSA-N 0 0 323.352 3.559 50 0 DHAARN COc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)c(OC)c1 ZINC000048204728 563693167 /nfs/dbraw/zinc/69/31/67/563693167.db2.gz HOZCQTVGMUNGKA-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN O=C(CCCOCCc1ccccc1)Nc1nc2ccccc2[nH]1 ZINC000048166899 563693262 /nfs/dbraw/zinc/69/32/62/563693262.db2.gz LYMDBPAKJXRISR-UHFFFAOYSA-N 0 0 323.396 3.541 50 0 DHAARN CCC[C@@H](C)NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000048066087 563693376 /nfs/dbraw/zinc/69/33/76/563693376.db2.gz MGATVDRVUZMZMO-CNELAYHGSA-N 0 0 304.390 3.573 50 0 DHAARN COc1ccc(C(=O)N2CCCCCCC2)cc1OC(F)F ZINC000048080833 563693415 /nfs/dbraw/zinc/69/34/15/563693415.db2.gz LGUDJJSGRLEZQJ-UHFFFAOYSA-N 0 0 313.344 3.703 50 0 DHAARN COc1ccc(Oc2ncccc2NC(=O)N2CCCC2)cc1 ZINC000048220277 563693582 /nfs/dbraw/zinc/69/35/82/563693582.db2.gz IVKJWJRPJJWYAK-UHFFFAOYSA-N 0 0 313.357 3.510 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)N(C[C@H]1CCOC1)C1CC1 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ZINC000048550232 563699336 /nfs/dbraw/zinc/69/93/36/563699336.db2.gz VLZNKUCRCSVESU-UHFFFAOYSA-N 0 0 314.263 3.629 50 0 DHAARN O=C1C[C@@H](c2cccc(O)c2)c2cnn(Cc3ccccc3)c2N1 ZINC000049548299 563701641 /nfs/dbraw/zinc/70/16/41/563701641.db2.gz QYGVEYWQSYLVOJ-INIZCTEOSA-N 0 0 319.364 3.761 50 0 DHAARN O=C(CCCn1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000049470783 563701662 /nfs/dbraw/zinc/70/16/62/563701662.db2.gz AZWMYIVASJPLGI-KRWDZBQOSA-N 0 0 322.412 3.508 50 0 DHAARN COc1cccc(C(=O)Nc2cc(C(C)=O)ccc2Cl)c1 ZINC000049913208 563702418 /nfs/dbraw/zinc/70/24/18/563702418.db2.gz BDTKBQPYUPASKQ-UHFFFAOYSA-N 0 0 303.745 3.804 50 0 DHAARN CCOc1ccc2c(cc(C(=O)Nc3ccccc3OC)n2C)c1 ZINC000049728957 563702615 /nfs/dbraw/zinc/70/26/15/563702615.db2.gz WTRSCZFCJUMANN-UHFFFAOYSA-N 0 0 324.380 3.838 50 0 DHAARN Cc1nc(-c2ccccc2)sc1C(=O)OCc1ccccn1 ZINC000014897546 563702624 /nfs/dbraw/zinc/70/26/24/563702624.db2.gz SGGFUWPWBWRKNC-UHFFFAOYSA-N 0 0 310.378 3.871 50 0 DHAARN COc1ccc(C(C)=O)cc1CSc1nnc(C(C)(C)C)[nH]1 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COc1nc(C)c(NC(=O)Nc2ccc3ccccc3c2)c(C)n1 ZINC000206720656 563876684 /nfs/dbraw/zinc/87/66/84/563876684.db2.gz SQOVGXLLTHFYBN-UHFFFAOYSA-N 0 0 322.368 3.899 50 0 DHAARN CCOc1cc2c(cc1NC(=O)CC1CCCC1)O[C@H](C)C2 ZINC000013014005 563876739 /nfs/dbraw/zinc/87/67/39/563876739.db2.gz CYOQTLAMRDIKFV-GFCCVEGCSA-N 0 0 303.402 3.928 50 0 DHAARN Cc1cc(C(=O)Nc2cnn(Cc3ccccc3C)c2)c(C)o1 ZINC000027920317 563877830 /nfs/dbraw/zinc/87/78/30/563877830.db2.gz GKPXGGGXKISYDP-UHFFFAOYSA-N 0 0 309.369 3.702 50 0 DHAARN CCCCCCn1cnc2ccc(Br)cc2c1=O ZINC000001775324 563878181 /nfs/dbraw/zinc/87/81/81/563878181.db2.gz GVNGWLAZDCHMKW-UHFFFAOYSA-N 0 0 309.207 3.739 50 0 DHAARN O=C(CCc1conc1-c1ccccc1)NCc1cccs1 ZINC000075510148 563878187 /nfs/dbraw/zinc/87/81/87/563878187.db2.gz NRHBNKMXFGOHCI-UHFFFAOYSA-N 0 0 312.394 3.652 50 0 DHAARN Cc1ccc(-c2nocc2CCC(=O)NCc2ccccc2)cc1 ZINC000075510165 563878348 /nfs/dbraw/zinc/87/83/48/563878348.db2.gz KUUWAMUCYWPIFW-UHFFFAOYSA-N 0 0 320.392 3.899 50 0 DHAARN CC(C)NC(=O)Nc1ccccc1NC(=O)/C=C\c1ccccc1 ZINC000047375217 563878830 /nfs/dbraw/zinc/87/88/30/563878830.db2.gz HPJLCWOOBUWEJN-SEYXRHQNSA-N 0 0 323.396 3.868 50 0 DHAARN O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000053961645 563879232 /nfs/dbraw/zinc/87/92/32/563879232.db2.gz AOWOQVKVTGCYLF-CQSZACIVSA-N 0 0 304.296 3.610 50 0 DHAARN CCn1ccc2ccc(CCC(=O)N[C@@H](C)c3ccccn3)cc21 ZINC000075550808 563883844 /nfs/dbraw/zinc/88/38/44/563883844.db2.gz KZBJXEDNCOHHDP-HNNXBMFYSA-N 0 0 321.424 3.866 50 0 DHAARN O=C(CCc1ccc2cc[nH]c2c1)NCc1cc(F)ccc1F ZINC000075550817 563883893 /nfs/dbraw/zinc/88/38/93/563883893.db2.gz OKSKKPUAHAEYIG-UHFFFAOYSA-N 0 0 314.335 3.695 50 0 DHAARN CN(Cc1nnsc1Cl)Cc1cccc(C(F)(F)F)c1 ZINC000089361499 563884988 /nfs/dbraw/zinc/88/49/88/563884988.db2.gz YPYDAMFBBLBEPT-UHFFFAOYSA-N 0 0 321.755 3.842 50 0 DHAARN CCC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000001912345 563885291 /nfs/dbraw/zinc/88/52/91/563885291.db2.gz NQJFFFFPDXJGDU-UHFFFAOYSA-N 0 0 321.380 3.662 50 0 DHAARN Cc1cc(Br)oc1C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000068172908 563885661 /nfs/dbraw/zinc/88/56/61/563885661.db2.gz HQWKCHZHQVITEJ-JTQLQIEISA-N 0 0 323.190 3.579 50 0 DHAARN O=C(Oc1cc(=O)oc2ccccc12)c1cc2ccccc2o1 ZINC000000459195 563887219 /nfs/dbraw/zinc/88/72/19/563887219.db2.gz HFJJYXSJLRHWBW-UHFFFAOYSA-N 0 0 306.273 3.758 50 0 biogenic DHAARN CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccccc3)ccc12 ZINC000000454030 563887481 /nfs/dbraw/zinc/88/74/81/563887481.db2.gz URTGFLAOFFMPMQ-UHFFFAOYSA-N 0 0 322.360 3.926 50 0 biogenic DHAARN CN(N=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000252607317 563887746 /nfs/dbraw/zinc/88/77/46/563887746.db2.gz HAGBIZDPUTXEHK-UHFFFAOYSA-N 0 0 320.352 3.856 50 0 DHAARN COc1ccccc1-c1nnc([C@@H](C)N(C)Cc2ccccc2)o1 ZINC000521393853 563887827 /nfs/dbraw/zinc/88/78/27/563887827.db2.gz YRZCHKDPMAJJJR-CQSZACIVSA-N 0 0 323.396 3.938 50 0 DHAARN c1coc(CN=Nc2ccnc(SCc3ccccc3)n2)c1 ZINC000252625726 563887968 /nfs/dbraw/zinc/88/79/68/563887968.db2.gz QQCAHYXAVZXZNN-UHFFFAOYSA-N 0 0 310.382 3.808 50 0 DHAARN O=C(CSc1ccccc1)Nc1ccc2oc(=O)ccc2c1 ZINC000054253558 563888390 /nfs/dbraw/zinc/88/83/90/563888390.db2.gz FKNIUBHRHMKTPA-UHFFFAOYSA-N 0 0 311.362 3.524 50 0 DHAARN Cc1cc(C(=O)CSC2=N[C@H](C)CS2)c(C)n1C1CC1 ZINC000089524113 563889273 /nfs/dbraw/zinc/88/92/73/563889273.db2.gz DRINSWQBSHJLIE-SECBINFHSA-N 0 0 308.472 3.847 50 0 DHAARN Cc1oncc1C(=O)Nc1ccc(NC(=O)CCC(C)C)cc1 ZINC000054269821 563889280 /nfs/dbraw/zinc/88/92/80/563889280.db2.gz AGHDZNCBPUNVSP-UHFFFAOYSA-N 0 0 315.373 3.610 50 0 DHAARN CCCc1nn(-c2ccccc2Cl)c(C)c1C(=O)NC1CC1 ZINC000035961359 563890589 /nfs/dbraw/zinc/89/05/89/563890589.db2.gz MYJFFHBWYGQZGL-UHFFFAOYSA-N 0 0 317.820 3.679 50 0 DHAARN COc1cc(SC)ccc1NC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000192679521 563890903 /nfs/dbraw/zinc/89/09/03/563890903.db2.gz ZXVYTBQCMGQYKO-VXGBXAGGSA-N 0 0 306.431 3.681 50 0 DHAARN CC(C)NC(=O)c1csc(COc2ccccc2Cl)n1 ZINC000036084010 563892677 /nfs/dbraw/zinc/89/26/77/563892677.db2.gz GAFWGPCLQVAMOI-UHFFFAOYSA-N 0 0 310.806 3.514 50 0 DHAARN CCCn1cnc2cc(CNC(=O)CCc3ccccc3)ccc21 ZINC000064755090 563892738 /nfs/dbraw/zinc/89/27/38/563892738.db2.gz MBDCXMMHHIATCS-UHFFFAOYSA-N 0 0 321.424 3.695 50 0 DHAARN CCc1cccc(OCc2nc(C(=O)N[C@H](C)CC)cs2)c1 ZINC000036084129 563892836 /nfs/dbraw/zinc/89/28/36/563892836.db2.gz RUJYEWAUQFMORK-GFCCVEGCSA-N 0 0 318.442 3.813 50 0 DHAARN CCCCNC(=O)c1sc(COc2ccccc2)nc1C ZINC000036107950 563894086 /nfs/dbraw/zinc/89/40/86/563894086.db2.gz UBMVTRKUALIULM-UHFFFAOYSA-N 0 0 304.415 3.560 50 0 DHAARN CCN1CCSc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C)cc21 ZINC000006802664 563895110 /nfs/dbraw/zinc/89/51/10/563895110.db2.gz VPEAGAJTFNPEMA-ZFWWWQNUSA-N 0 0 318.486 3.927 50 0 DHAARN CCN1CCSc2ccc(C(=O)NC3CCC(C)CC3)cc21 ZINC000006802652 563895140 /nfs/dbraw/zinc/89/51/40/563895140.db2.gz CLCFLMSODIUTRA-UHFFFAOYSA-N 0 0 318.486 3.927 50 0 DHAARN CCn1nc(C)c(CCN(C)C(=O)Nc2ccc(C)cc2)c1C ZINC000064959569 563895163 /nfs/dbraw/zinc/89/51/63/563895163.db2.gz GXJJXILPLPVHQL-UHFFFAOYSA-N 0 0 314.433 3.535 50 0 DHAARN Cc1cccc(C)c1-c1cncc(C(=O)NCc2ccccn2)c1 ZINC000036349193 563895989 /nfs/dbraw/zinc/89/59/89/563895989.db2.gz UMBQCQXVDAGBMA-UHFFFAOYSA-N 0 0 317.392 3.690 50 0 DHAARN O=C1C[C@@H](c2cccc(O)c2)c2ncn(-c3ccccc3F)c2N1 ZINC000036358990 563896436 /nfs/dbraw/zinc/89/64/36/563896436.db2.gz VSSZYKHGHXKARO-ZDUSSCGKSA-N 0 0 323.327 3.841 50 0 DHAARN CC[C@H]1CN(C(=O)NCc2ccc(F)cc2)c2ccccc2O1 ZINC000006845859 563897128 /nfs/dbraw/zinc/89/71/28/563897128.db2.gz PTJYKNMVLJOFDM-HNNXBMFYSA-N 0 0 314.360 3.713 50 0 DHAARN Cc1ccc2onc(CNC(=O)N(C)c3ccccc3F)c2c1 ZINC000006866057 563897540 /nfs/dbraw/zinc/89/75/40/563897540.db2.gz UTGRISDOVXJCFQ-UHFFFAOYSA-N 0 0 313.332 3.621 50 0 DHAARN C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccccc1 ZINC000036398290 563898870 /nfs/dbraw/zinc/89/88/70/563898870.db2.gz OFISFXLMPFQBOE-LLVKDONJSA-N 0 0 308.834 3.656 50 0 DHAARN COC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000006914375 563899430 /nfs/dbraw/zinc/89/94/30/563899430.db2.gz CCJBHGZCVVDGSR-UHFFFAOYSA-N 0 0 323.270 3.744 50 0 DHAARN Fc1cccc(Cc2nc(-c3cccc(-c4cc[nH]n4)c3)no2)c1 ZINC000065137136 563899666 /nfs/dbraw/zinc/89/96/66/563899666.db2.gz DBPISHRHRSXNOR-UHFFFAOYSA-N 0 0 320.327 3.857 50 0 DHAARN Cc1ccc(-c2cc(NC(=O)Cc3ccsc3)on2)s1 ZINC000065153315 563900329 /nfs/dbraw/zinc/90/03/29/563900329.db2.gz ZHHDTCFOBVEHNF-UHFFFAOYSA-N 0 0 304.396 3.954 50 0 DHAARN O=C(Cc1cccc(Cl)c1)Nc1cc(-c2ccccn2)no1 ZINC000065152841 563900334 /nfs/dbraw/zinc/90/03/34/563900334.db2.gz QVJGPWZIWJSZTE-UHFFFAOYSA-N 0 0 313.744 3.571 50 0 DHAARN Cc1ccc(C(=O)N2CCC(CCOc3cccnc3)CC2)cc1 ZINC000065181156 563900570 /nfs/dbraw/zinc/90/05/70/563900570.db2.gz QPMYKGFUAMBTAY-UHFFFAOYSA-N 0 0 324.424 3.711 50 0 DHAARN CCCNc1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC000007001721 563901152 /nfs/dbraw/zinc/90/11/52/563901152.db2.gz GDCOIUMXPRPKKE-UHFFFAOYSA-N 0 0 304.463 3.726 50 0 DHAARN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000007052952 563901889 /nfs/dbraw/zinc/90/18/89/563901889.db2.gz FSOBYWPRJSBISC-UHFFFAOYSA-N 0 0 301.411 3.675 50 0 DHAARN C[C@@H](Cc1nc(-c2ccccn2)cs1)n1cc(Cl)cn1 ZINC000170088836 563903602 /nfs/dbraw/zinc/90/36/02/563903602.db2.gz XQRBWDVBMAAPDN-JTQLQIEISA-N 0 0 304.806 3.859 50 0 DHAARN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)cc1 ZINC000238879261 563903985 /nfs/dbraw/zinc/90/39/85/563903985.db2.gz OVNBOHWONIHAKG-QGZVFWFLSA-N 0 0 324.424 3.673 50 0 DHAARN O=C(CSCc1cccc(F)c1)Nc1ccc(F)cc1F ZINC000007146240 563904048 /nfs/dbraw/zinc/90/40/48/563904048.db2.gz WRDGGIHFXCDSCC-UHFFFAOYSA-N 0 0 311.328 3.976 50 0 DHAARN Cc1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)s1 ZINC000007192504 563904319 /nfs/dbraw/zinc/90/43/19/563904319.db2.gz AMSUZKDKTWHCRJ-SECBINFHSA-N 0 0 304.440 3.699 50 0 DHAARN COc1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 ZINC000007242380 563904561 /nfs/dbraw/zinc/90/45/61/563904561.db2.gz SIRCWORAZNJPDW-CYBMUJFWSA-N 0 0 310.397 3.623 50 0 DHAARN CCSc1nnc(NC(=O)c2ccc3ncsc3c2)s1 ZINC000007264360 563904920 /nfs/dbraw/zinc/90/49/20/563904920.db2.gz NQTMVTBFFFKTOX-UHFFFAOYSA-N 0 0 322.440 3.512 50 0 DHAARN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000007389329 563905858 /nfs/dbraw/zinc/90/58/58/563905858.db2.gz CURFKFXQVWNFHH-GFCCVEGCSA-N 0 0 314.351 3.764 50 0 DHAARN CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000007420086 563905941 /nfs/dbraw/zinc/90/59/41/563905941.db2.gz LFMNHKUSLRGUDA-AWEZNQCLSA-N 0 0 314.404 3.847 50 0 DHAARN COC1(CNC(=O)Nc2ccc(-c3nccs3)cc2)CCC1 ZINC000170593436 563907132 /nfs/dbraw/zinc/90/71/32/563907132.db2.gz CEFDDVQJYYAFCT-UHFFFAOYSA-N 0 0 317.414 3.501 50 0 DHAARN COc1ccc(NC(=O)NCc2ccsc2)c2ncccc12 ZINC000170598177 563907154 /nfs/dbraw/zinc/90/71/54/563907154.db2.gz BEZCBHGKZKWXJD-UHFFFAOYSA-N 0 0 313.382 3.627 50 0 DHAARN C[S@](=O)Cc1cc(NCc2ccc(O)cc2)ccc1Cl ZINC000170604384 563907252 /nfs/dbraw/zinc/90/72/52/563907252.db2.gz RBINZEAHVNWKCL-FQEVSTJZSA-N 0 0 309.818 3.536 50 0 DHAARN C[C@H]([NH2+]Cc1ccncc1Cl)c1cccc(-n2ccnc2)c1 ZINC000170605236 563907486 /nfs/dbraw/zinc/90/74/86/563907486.db2.gz CWGWWKZKNMKYGV-ZDUSSCGKSA-N 0 0 312.804 3.772 50 0 DHAARN CN(C(=O)NCc1cn2ccsc2n1)C1CCCCCCC1 ZINC000170606296 563907671 /nfs/dbraw/zinc/90/76/71/563907671.db2.gz BMLZFHNGATUMFL-UHFFFAOYSA-N 0 0 320.462 3.650 50 0 DHAARN CC(=O)Nc1ccc(CN2CCOc3c(Cl)cccc32)cc1 ZINC000170606988 563907675 /nfs/dbraw/zinc/90/76/75/563907675.db2.gz LYJMRCIZYSPRGB-UHFFFAOYSA-N 0 0 316.788 3.697 50 0 DHAARN Fc1ccc2ncnc(NCCc3cc(F)cc(F)c3)c2c1 ZINC000170605772 563907676 /nfs/dbraw/zinc/90/76/76/563907676.db2.gz AIOZTUYNPUSZJM-UHFFFAOYSA-N 0 0 303.287 3.702 50 0 DHAARN CSc1ccc(C)c(C(=O)O[C@@H](c2ncccn2)C2CC2)c1 ZINC000170609292 563907727 /nfs/dbraw/zinc/90/77/27/563907727.db2.gz CWHKTZORRIRYKJ-OAHLLOKOSA-N 0 0 314.410 3.815 50 0 DHAARN COc1ccc(Cc2nc(-c3cnoc3C)cs2)cc1OC ZINC000170606699 563907762 /nfs/dbraw/zinc/90/77/62/563907762.db2.gz XIKKYVXCYBYCPA-UHFFFAOYSA-N 0 0 316.382 3.715 50 0 DHAARN O=C(Nc1n[nH]c2cccc(F)c21)c1ccc2c(c1)C=CCC2 ZINC000170612257 563908090 /nfs/dbraw/zinc/90/80/90/563908090.db2.gz BEZGDURAIQSGKU-UHFFFAOYSA-N 0 0 307.328 3.914 50 0 DHAARN CC(C)(C)c1ncsc1C(=O)N1CCSc2ccncc21 ZINC000170614267 563908103 /nfs/dbraw/zinc/90/81/03/563908103.db2.gz CNJOAFZCUAUXKB-UHFFFAOYSA-N 0 0 319.455 3.588 50 0 DHAARN COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(C)=O)c1 ZINC000170619962 563908600 /nfs/dbraw/zinc/90/86/00/563908600.db2.gz NPCAMRCFYTUOCG-IBGZPJMESA-N 0 0 308.381 3.701 50 0 DHAARN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000170626359 563908793 /nfs/dbraw/zinc/90/87/93/563908793.db2.gz BHBOYBNMDSCDFH-LRDDRELGSA-N 0 0 324.852 3.940 50 0 DHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Cn1ncc2ccccc21 ZINC000170622941 563908819 /nfs/dbraw/zinc/90/88/19/563908819.db2.gz NZEOHLZMZZTVKT-DJIMGWMZSA-N 0 0 313.445 3.613 50 0 DHAARN O=C(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)c1ccco1 ZINC000071195732 563909088 /nfs/dbraw/zinc/90/90/88/563909088.db2.gz WDENAQXBPWOZML-MRXNPFEDSA-N 0 0 319.364 3.544 50 0 DHAARN Clc1ccc2oc(C3=NNC(=NC4CC4)SC3)cc2c1 ZINC000009910416 563909119 /nfs/dbraw/zinc/90/91/19/563909119.db2.gz CHYDZCFWNRSMBD-UHFFFAOYSA-N 0 0 305.790 3.645 50 0 DHAARN C[C@H](NC(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000013328872 563909647 /nfs/dbraw/zinc/90/96/47/563909647.db2.gz KIDULWHWSZPIJK-QMMMGPOBSA-N 0 0 309.774 3.621 50 0 DHAARN C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1ccccn1 ZINC000013331903 563909671 /nfs/dbraw/zinc/90/96/71/563909671.db2.gz UHSHPOOYJWLDSQ-SNVBAGLBSA-N 0 0 320.190 3.727 50 0 DHAARN CSc1nc2ccc(NC(=O)c3ccc(C)nc3)cc2s1 ZINC000014246888 563910454 /nfs/dbraw/zinc/91/04/54/563910454.db2.gz DXLOHNMIBCMCSA-UHFFFAOYSA-N 0 0 315.423 3.974 50 0 DHAARN CC[C@H](NC(=O)c1cccnc1SC)c1ccc(C)cc1 ZINC000014602627 563910789 /nfs/dbraw/zinc/91/07/89/563910789.db2.gz QKXWMOMQBYQXOT-HNNXBMFYSA-N 0 0 300.427 3.993 50 0 DHAARN Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 ZINC000089669396 563910858 /nfs/dbraw/zinc/91/08/58/563910858.db2.gz DMQJDKSIQNETFL-QZHFEQFPSA-N 0 0 321.420 3.779 50 0 DHAARN O=C(c1ccoc1)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000075876175 563910945 /nfs/dbraw/zinc/91/09/45/563910945.db2.gz GTGWQRMXKJZNMJ-UHFFFAOYSA-N 0 0 321.380 3.690 50 0 DHAARN O=C(Cc1c[nH]c2ncccc12)N1CCCCC[C@H]1c1ccco1 ZINC000089800285 563911401 /nfs/dbraw/zinc/91/14/01/563911401.db2.gz GNNIKHGLBFRXQA-INIZCTEOSA-N 0 0 323.396 3.842 50 0 DHAARN O=C(Nc1ccc(-c2ccccc2)cc1)N1CC[C@@H](CCO)C1 ZINC000076023368 563911647 /nfs/dbraw/zinc/91/16/47/563911647.db2.gz VSFWMRUTTAMYCG-HNNXBMFYSA-N 0 0 310.397 3.590 50 0 DHAARN CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC000076067680 563912344 /nfs/dbraw/zinc/91/23/44/563912344.db2.gz CLASNBSSHOXEGP-JKSUJKDBSA-N 0 0 307.459 3.579 50 0 DHAARN CS[C@@H](C)c1cccc(NC(=O)N[C@H](CO)c2ccco2)c1 ZINC000076070412 563912381 /nfs/dbraw/zinc/91/23/81/563912381.db2.gz KJSDOLCNHCOKGD-SMDDNHRTSA-N 0 0 320.414 3.559 50 0 DHAARN Cc1nc2cc(NC(=O)Nc3cccnc3Cl)ccc2n1C ZINC000076089481 563912415 /nfs/dbraw/zinc/91/24/15/563912415.db2.gz GCDHFIATHUBCQR-UHFFFAOYSA-N 0 0 315.764 3.574 50 0 DHAARN COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1ccsc1 ZINC000076088668 563912453 /nfs/dbraw/zinc/91/24/53/563912453.db2.gz AAKSDZLNUSAJJJ-NSHDSACASA-N 0 0 322.405 3.798 50 0 DHAARN CCc1cnc(CNC(=O)Nc2cccc([C@H](C)OC)c2)s1 ZINC000076070314 563912455 /nfs/dbraw/zinc/91/24/55/563912455.db2.gz RNHKSRCTHMFGNE-NSHDSACASA-N 0 0 319.430 3.735 50 0 DHAARN Cc1ccc(CCSc2nc3nc(C)c(C)c(C)n3n2)cc1 ZINC000170632881 563912515 /nfs/dbraw/zinc/91/25/15/563912515.db2.gz GJKKESWHSZQDNJ-UHFFFAOYSA-N 0 0 312.442 3.693 50 0 DHAARN COc1ccc(CNc2ncnc3cc(F)c(F)cc32)cc1 ZINC000170632559 563912532 /nfs/dbraw/zinc/91/25/32/563912532.db2.gz JOSITHPFNXZLMO-UHFFFAOYSA-N 0 0 301.296 3.529 50 0 DHAARN Cc1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)no1 ZINC000153173252 563912575 /nfs/dbraw/zinc/91/25/75/563912575.db2.gz LDBPIOUJCNUYRR-JECHBYEQSA-N 0 0 321.380 3.512 50 0 DHAARN CC(C)CCn1cccc1CNCc1cn2ccsc2n1 ZINC000170634608 563912824 /nfs/dbraw/zinc/91/28/24/563912824.db2.gz BCPVUGBFPUFZPU-UHFFFAOYSA-N 0 0 302.447 3.533 50 0 DHAARN Cc1nc2ncnn2c(N2CCC[C@@H](c3ccccc3)CC2)c1C ZINC000170637101 563913697 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Cc1cccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)c1 ZINC000007698994 563917872 /nfs/dbraw/zinc/91/78/72/563917872.db2.gz QKGZARJRNBWHFL-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN Cc1nnc(CSc2nnc(Nc3ccccc3C)s2)o1 ZINC000007753649 563918724 /nfs/dbraw/zinc/91/87/24/563918724.db2.gz UPCXHDHOPILDPC-UHFFFAOYSA-N 0 0 319.415 3.574 50 0 DHAARN Cc1ccc(NC(=O)N(C)CCCc2nc3ccccc3[nH]2)cc1 ZINC000065982764 563918940 /nfs/dbraw/zinc/91/89/40/563918940.db2.gz NDNDRZWRNJPZIN-UHFFFAOYSA-N 0 0 322.412 3.968 50 0 DHAARN CCc1onc(C)c1NC(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 ZINC000195552999 563919590 /nfs/dbraw/zinc/91/95/90/563919590.db2.gz ODYLYHYTIKBPHV-UKRRQHHQSA-N 0 0 323.437 3.651 50 0 DHAARN COc1ccccc1/C=C/C1=N/C(=C\c2cccs2)C(=O)O1 ZINC000027501434 563920983 /nfs/dbraw/zinc/92/09/83/563920983.db2.gz BIZZVDLRUZATSG-LSHJULRISA-N 0 0 311.362 3.766 50 0 DHAARN CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(N(C)C)cc1 ZINC000002278649 563921166 /nfs/dbraw/zinc/92/11/66/563921166.db2.gz XQDRDULEIIKPRS-HNNXBMFYSA-N 0 0 315.350 3.787 50 0 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563925303 /nfs/dbraw/zinc/92/53/03/563925303.db2.gz VKNDJLMGGWNOEK-MNOVXSKESA-N 0 0 308.428 3.580 50 0 DHAARN Cc1ccc(Cn2cnc3c(Cl)ccc(Cl)c3c2=O)o1 ZINC000584887437 563925340 /nfs/dbraw/zinc/92/53/40/563925340.db2.gz VVZNDJWWBLSGPV-UHFFFAOYSA-N 0 0 309.152 3.653 50 0 DHAARN Cc1nc(-c2nc(C3CC3)nn2-c2cccc(F)c2)cs1 ZINC000584886129 563925367 /nfs/dbraw/zinc/92/53/67/563925367.db2.gz XMHNYMWJYGHMBZ-UHFFFAOYSA-N 0 0 300.362 3.716 50 0 DHAARN CCCn1nc(C)c(CNc2ccc3c(=O)cc[nH]c3c2)c1C ZINC000253428555 563925422 /nfs/dbraw/zinc/92/54/22/563925422.db2.gz KEYWWYLEKGRATC-UHFFFAOYSA-N 0 0 310.401 3.776 50 0 DHAARN Cn1c(C(=O)Nc2ccc3c(c2)OCCCO3)cc2ccccc21 ZINC000054984191 563925995 /nfs/dbraw/zinc/92/59/95/563925995.db2.gz CDDGTMIKZYSWRS-UHFFFAOYSA-N 0 0 322.364 3.592 50 0 DHAARN CC(=O)Nc1c(C)cc(N)cc1OCc1ccccc1Cl ZINC000585655919 563927472 /nfs/dbraw/zinc/92/74/72/563927472.db2.gz UHNFWXRJBCNLOQ-UHFFFAOYSA-N 0 0 304.777 3.768 50 0 DHAARN COc1cc(C)ccc1N[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000055155687 563927734 /nfs/dbraw/zinc/92/77/34/563927734.db2.gz QVTLAFDEYBWGLB-LJQANCHMSA-N 0 0 324.424 3.779 50 0 DHAARN COCc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000013010188 563929156 /nfs/dbraw/zinc/92/91/56/563929156.db2.gz QKNAKEZMUBBZAP-UHFFFAOYSA-N 0 0 307.393 3.763 50 0 DHAARN Cc1nc(CSc2n[nH]c(-c3ccccc3F)n2)cs1 ZINC000066275684 563929534 /nfs/dbraw/zinc/92/95/34/563929534.db2.gz KAYPLYIMUASCFJ-UHFFFAOYSA-N 0 0 306.391 3.668 50 0 DHAARN CN1O[C@H](COC(=O)Nc2ccccc2)C[C@@H]1c1ccccc1 ZINC000013396531 563929575 /nfs/dbraw/zinc/92/95/75/563929575.db2.gz WMPYXEVAXFMACV-DLBZAZTESA-N 0 0 312.369 3.612 50 0 DHAARN COc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2)cc1Cl ZINC000078755153 563929957 /nfs/dbraw/zinc/92/99/57/563929957.db2.gz JMIVDKLJJCAZAV-AWEZNQCLSA-N 0 0 323.179 3.856 50 0 DHAARN Cc1ccc([C@@H]2CSCCN2C(=O)Cc2cccs2)o1 ZINC000078934761 563930111 /nfs/dbraw/zinc/93/01/11/563930111.db2.gz BAEAISCVOFYTAP-ZDUSSCGKSA-N 0 0 307.440 3.509 50 0 DHAARN CCOc1nc(N[C@@H](C)c2ccccc2)ncc1Br ZINC000079092054 563930271 /nfs/dbraw/zinc/93/02/71/563930271.db2.gz ALSRJCOCUQTWML-JTQLQIEISA-N 0 0 322.206 3.811 50 0 DHAARN Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000079488491 563930404 /nfs/dbraw/zinc/93/04/04/563930404.db2.gz PKAPJJLMQRTYOC-UHFFFAOYSA-N 0 0 316.364 3.821 50 0 DHAARN COc1ccccc1C(=O)Nc1ccc2[nH]c(C3CC3)nc2c1 ZINC000079498068 563930427 /nfs/dbraw/zinc/93/04/27/563930427.db2.gz RNTJSWFZUQIPFW-UHFFFAOYSA-N 0 0 307.353 3.701 50 0 DHAARN CC(C)(Oc1ccc(Cl)cc1)c1nc([C@@H]2CCCO2)no1 ZINC000278305673 563930637 /nfs/dbraw/zinc/93/06/37/563930637.db2.gz JQVYOBYLKVAXTB-LBPRGKRZSA-N 0 0 308.765 3.889 50 0 DHAARN Cc1cc(C(F)(F)F)nc(Oc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000390834349 563930715 /nfs/dbraw/zinc/93/07/15/563930715.db2.gz WWKSRMKWKCDEPB-UHFFFAOYSA-N 0 0 317.198 3.643 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000095377408 563931141 /nfs/dbraw/zinc/93/11/41/563931141.db2.gz OCCJWPXQRZAEBU-RYUDHWBXSA-N 0 0 323.318 3.788 50 0 DHAARN Cc1ccc([C@@H]2CCN(C(=O)CCc3ccccn3)C2)c(C)c1 ZINC000279698551 563931537 /nfs/dbraw/zinc/93/15/37/563931537.db2.gz OMHWGHHTJCLCFO-QGZVFWFLSA-N 0 0 308.425 3.647 50 0 DHAARN CN(C)c1ccccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000095458443 563931629 /nfs/dbraw/zinc/93/16/29/563931629.db2.gz BYVNJGQKMDIVQO-DLBZAZTESA-N 0 0 313.372 3.739 50 0 DHAARN COc1ccc(CN[C@H](C)c2c(Cl)nc3sccn32)cc1 ZINC000095427011 563931642 /nfs/dbraw/zinc/93/16/42/563931642.db2.gz NXMKKFOSXQBLEJ-SNVBAGLBSA-N 0 0 321.833 3.909 50 0 DHAARN CCCc1cc(=O)[nH]c(C(=Cc2ccnn2C(C)C)CC)n1 ZINC000279983564 563931739 /nfs/dbraw/zinc/93/17/39/563931739.db2.gz FWIZWHDRSKDYDH-JLHYYAGUSA-N 0 0 300.406 3.863 50 0 DHAARN CC(C)(C)OC(=O)[C@H](NC1CC(C(F)F)C1)c1ccccc1 ZINC000095945579 563932179 /nfs/dbraw/zinc/93/21/79/563932179.db2.gz WNORCIHDNFDSJZ-JXQTWKCFSA-N 0 0 311.372 3.703 50 0 DHAARN Cc1noc(C)c1CNC(=O)N(CC1CCCCC1)C1CC1 ZINC000095955272 563932411 /nfs/dbraw/zinc/93/24/11/563932411.db2.gz QHTKUETYHJPOLV-UHFFFAOYSA-N 0 0 305.422 3.546 50 0 DHAARN 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OQEGICHTISPPBI-GHXNOFRVSA-N 0 0 301.729 3.547 50 0 DHAARN Cc1csc([C@H](NC(=O)c2ccc3ccccc3n2)C2CC2)n1 ZINC000225416059 201705067 /nfs/dbraw/zinc/70/50/67/201705067.db2.gz VWACDQZFPHGWQO-MRXNPFEDSA-N 0 0 323.421 3.881 50 0 DHAARN O=C(NCC[C@H](O)c1cccs1)c1cccc2ccccc21 ZINC000077113661 185110172 /nfs/dbraw/zinc/11/01/72/185110172.db2.gz MJWOLIHMCISZGK-INIZCTEOSA-N 0 0 311.406 3.755 50 0 DHAARN O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000078927051 185129842 /nfs/dbraw/zinc/12/98/42/185129842.db2.gz DUUUVHYMVHDMOT-INIZCTEOSA-N 0 0 300.789 3.641 50 0 DHAARN Cc1noc(C)c1CCNC(=O)c1c(Cl)cccc1Cl ZINC000078986360 185141054 /nfs/dbraw/zinc/14/10/54/185141054.db2.gz RRLNGNLNZJNIEC-UHFFFAOYSA-N 0 0 313.184 3.571 50 0 DHAARN CCC(C)(C)NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000079011845 185145995 /nfs/dbraw/zinc/14/59/95/185145995.db2.gz INMZHBRSIGGSCL-UHFFFAOYSA-N 0 0 321.421 3.613 50 0 DHAARN O=C(C[C@@H]1CC(=O)Oc2ccccc21)Nc1ccc2cc[nH]c2c1 ZINC000079193629 185161395 /nfs/dbraw/zinc/16/13/95/185161395.db2.gz YPFVYNZCGUMOFU-CYBMUJFWSA-N 0 0 320.348 3.589 50 0 biogenic DHAARN C[C@@H](Oc1ccccc1NC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000079360313 185166982 /nfs/dbraw/zinc/16/69/82/185166982.db2.gz AFBPGPBLZDLZCW-KDOFPFPSSA-N 0 0 311.381 3.944 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1 ZINC000079361167 185167013 /nfs/dbraw/zinc/16/70/13/185167013.db2.gz BJWXOWQRFGOSPM-OAQYLSRUSA-N 0 0 321.829 3.779 50 0 DHAARN CSCc1cc(F)ccc1CNC(=O)CCC(F)(F)F ZINC000087435635 185224958 /nfs/dbraw/zinc/22/49/58/185224958.db2.gz LMCIMUSMVZKNAL-UHFFFAOYSA-N 0 0 309.328 3.647 50 0 DHAARN O=C1NC(=O)/C(=C\c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000096925145 185391711 /nfs/dbraw/zinc/39/17/11/185391711.db2.gz UYHGDDPGPYKWKD-QPEQYQDCSA-N 0 0 318.159 3.804 50 0 DHAARN Cc1nc(/C=C\C(=O)Nc2ccc(OC(F)F)cc2)cs1 ZINC000096936365 185392725 /nfs/dbraw/zinc/39/27/25/185392725.db2.gz QORWBLAPEUFUNA-DAXSKMNVSA-N 0 0 310.325 3.705 50 0 DHAARN CCOc1ncccc1CN[C@@H](C)c1cnc2ccsc2c1 ZINC000089988829 185274904 /nfs/dbraw/zinc/27/49/04/185274904.db2.gz FTDRLTCPGBTYHZ-LBPRGKRZSA-N 0 0 313.426 3.941 50 0 DHAARN CCCCOCC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000089954807 185271730 /nfs/dbraw/zinc/27/17/30/185271730.db2.gz LHRDYQKEISLLCQ-SFHVURJKSA-N 0 0 303.446 3.817 50 0 DHAARN C[C@H](Nc1ncnc2nc(N)ccc21)c1ccc2ccccc2c1 ZINC000090066548 185280546 /nfs/dbraw/zinc/28/05/46/185280546.db2.gz ARLCFMRLZMFBIB-LBPRGKRZSA-N 0 0 315.380 3.933 50 0 DHAARN Clc1ccc(C2(c3nc(-c4cccnn4)no3)CCC2)cc1 ZINC000082107955 192356774 /nfs/dbraw/zinc/35/67/74/192356774.db2.gz VSZIJRDCFZSANF-UHFFFAOYSA-N 0 0 312.760 3.650 50 0 DHAARN c1cn(Cc2ccccc2)c([C@H]2CCCN(c3ccccn3)C2)n1 ZINC000082100491 192357094 /nfs/dbraw/zinc/35/70/94/192357094.db2.gz SWFNKSFHTMIJTI-SFHVURJKSA-N 0 0 318.424 3.710 50 0 DHAARN CCc1c(C)c2ccc(O[C@@H]3CCCCC3=O)c(C)c2oc1=O ZINC000000489393 190614917 /nfs/dbraw/zinc/61/49/17/190614917.db2.gz FUKQFVKPKIBOGB-QGZVFWFLSA-N 0 0 314.381 3.863 50 0 biogenic DHAARN CCCCNC(=O)Oc1ccc(Cl)cc1Br ZINC000003086143 190617444 /nfs/dbraw/zinc/61/74/44/190617444.db2.gz HGZLPNZQDTZPLK-UHFFFAOYSA-N 0 0 306.587 3.991 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2c1 ZINC000006865947 190624872 /nfs/dbraw/zinc/62/48/72/190624872.db2.gz VSGRLDDXQSJKBD-KCQAQPDRSA-N 0 0 315.417 3.760 50 0 DHAARN CN(Cc1ccc(F)cc1)C(=O)CNc1cccc(Cl)c1F ZINC000096971732 185394881 /nfs/dbraw/zinc/39/48/81/185394881.db2.gz RNJXGIBGNHZUCP-UHFFFAOYSA-N 0 0 324.758 3.689 50 0 DHAARN CCC(C)(C)NC(=O)COc1ccccc1Cc1ccccc1 ZINC000007016147 190627192 /nfs/dbraw/zinc/62/71/92/190627192.db2.gz XAMPRQFGAWDWMH-UHFFFAOYSA-N 0 0 311.425 3.961 50 0 DHAARN COCCC[C@H]1CCCCN1C(=O)Nc1ccc(N(C)C)cc1 ZINC000082125294 192359569 /nfs/dbraw/zinc/35/95/69/192359569.db2.gz OGJKWBSXRVSWDQ-QGZVFWFLSA-N 0 0 319.449 3.566 50 0 DHAARN Cc1ocnc1CNC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000092732961 185337149 /nfs/dbraw/zinc/33/71/49/185337149.db2.gz PJCWUJGLTZNQPF-UHFFFAOYSA-N 0 0 315.373 3.626 50 0 DHAARN O=C(/C=C\c1ccccc1Cl)Nc1ccc(-n2cccn2)nc1 ZINC000096993744 185395375 /nfs/dbraw/zinc/39/53/75/185395375.db2.gz ZJLQRINNFQQZPG-TWGQIWQCSA-N 0 0 324.771 3.573 50 0 DHAARN COCCC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000082126415 192359459 /nfs/dbraw/zinc/35/94/59/192359459.db2.gz VXENEFUAKOCKIG-CYBMUJFWSA-N 0 0 313.800 3.900 50 0 DHAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1ccc(-n2cccn2)nc1 ZINC000096996648 185395780 /nfs/dbraw/zinc/39/57/80/185395780.db2.gz AWVXWQMFSQRRMN-WTKPLQERSA-N 0 0 324.771 3.573 50 0 DHAARN COCCSCc1cccc(NC(=O)N(C)CC2CCC2)c1 ZINC000095398087 185353521 /nfs/dbraw/zinc/35/35/21/185353521.db2.gz RREIUFZMIRWFFW-UHFFFAOYSA-N 0 0 322.474 3.830 50 0 DHAARN O=C(c1cccc(-n2cccn2)n1)N(C1CCCC1)C1CCCC1 ZINC000095399019 185353643 /nfs/dbraw/zinc/35/36/43/185353643.db2.gz PDFCIRCFCPZEOP-UHFFFAOYSA-N 0 0 324.428 3.595 50 0 DHAARN COCCN(Cc1cccs1)C(=O)[C@@H](C)c1cccs1 ZINC000095399258 185353779 /nfs/dbraw/zinc/35/37/79/185353779.db2.gz MXFKDOQYOIVSJQ-LBPRGKRZSA-N 0 0 309.456 3.588 50 0 DHAARN Cc1nc(C)c(CSc2nc3ccccc3c(=O)[nH]2)s1 ZINC000095402938 185354804 /nfs/dbraw/zinc/35/48/04/185354804.db2.gz MXZYYJRQSUGGAW-UHFFFAOYSA-N 0 0 303.412 3.701 50 0 DHAARN COCc1cc(C(=O)N(C)[C@@H](C)c2ccc3ccccc3c2)no1 ZINC000095403471 185354950 /nfs/dbraw/zinc/35/49/50/185354950.db2.gz LJPZGHGKVYVRNG-ZDUSSCGKSA-N 0 0 324.380 3.807 50 0 DHAARN COCCSCc1cccc(NC(=O)N(C)C2CCC2)c1 ZINC000095403951 185355128 /nfs/dbraw/zinc/35/51/28/185355128.db2.gz FBXKDBYQBJFCOG-UHFFFAOYSA-N 0 0 308.447 3.582 50 0 DHAARN Cc1noc2nc(C)cc(C(=O)N[C@@H]3CC[C@H]3c3ccccc3)c12 ZINC000095403678 185355246 /nfs/dbraw/zinc/35/52/46/185355246.db2.gz MQPBUZLAUYMENE-GOEBONIOSA-N 0 0 321.380 3.516 50 0 DHAARN C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)C1=CCCCO1 ZINC000095405628 185355631 /nfs/dbraw/zinc/35/56/31/185355631.db2.gz PZHLZEXPJTZYFW-HNNXBMFYSA-N 0 0 322.408 3.962 50 0 DHAARN CSC[C@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000095411686 185357561 /nfs/dbraw/zinc/35/75/61/185357561.db2.gz WUVPDCKTYRWSML-INIZCTEOSA-N 0 0 303.471 3.611 50 0 DHAARN C[C@H](NC(=O)N(C)CC(C)(C)O)c1cc2cc(Cl)ccc2o1 ZINC000095411329 185357596 /nfs/dbraw/zinc/35/75/96/185357596.db2.gz XNKGMINVRHUEKU-JTQLQIEISA-N 0 0 324.808 3.560 50 0 DHAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N(CC(F)(F)F)C2CC2)s1 ZINC000097000599 185396166 /nfs/dbraw/zinc/39/61/66/185396166.db2.gz AHJDOGWTVSKZJZ-GHMZBOCLSA-N 0 0 303.349 3.713 50 0 DHAARN CC(C)(C)NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000095411790 185357806 /nfs/dbraw/zinc/35/78/06/185357806.db2.gz RGDLMCJIQHDSPD-UHFFFAOYSA-N 0 0 300.362 3.534 50 0 DHAARN O=C(CC1=CCCCC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000095412638 185357899 /nfs/dbraw/zinc/35/78/99/185357899.db2.gz VKVLZCGABVLWFR-JKSUJKDBSA-N 0 0 303.402 3.585 50 0 DHAARN Cc1ccccc1Cc1nnc(CSc2ccccc2O)o1 ZINC000095414698 185358599 /nfs/dbraw/zinc/35/85/99/185358599.db2.gz VOLMRYUQPJBNCP-UHFFFAOYSA-N 0 0 312.394 3.967 50 0 DHAARN COCc1ccc(C(=O)N2CCOc3c(Cl)cccc32)cc1 ZINC000095415858 185359123 /nfs/dbraw/zinc/35/91/23/185359123.db2.gz VBDHGICYMHXMKG-UHFFFAOYSA-N 0 0 317.772 3.526 50 0 DHAARN Fc1ccc(CNc2cccc(Cn3cnnc3)c2)c(Cl)c1 ZINC000095425780 185361624 /nfs/dbraw/zinc/36/16/24/185361624.db2.gz ACMDBXNNOQGUBG-UHFFFAOYSA-N 0 0 316.767 3.731 50 0 DHAARN CC(=O)Nc1cccc(COc2cc(F)cc(F)c2C(C)=O)c1 ZINC000095427688 185361984 /nfs/dbraw/zinc/36/19/84/185361984.db2.gz KOOFFPCQVZWZPV-UHFFFAOYSA-N 0 0 319.307 3.705 50 0 DHAARN Cn1ccnc1CNc1cccc(COc2cccc(F)c2)c1 ZINC000095428726 185362260 /nfs/dbraw/zinc/36/22/60/185362260.db2.gz DYCFBBSEGGVZPH-UHFFFAOYSA-N 0 0 311.360 3.750 50 0 DHAARN CO[C@@H](C)c1cccc(NCc2ccc([S@](C)=O)cc2)c1 ZINC000095428991 185362686 /nfs/dbraw/zinc/36/26/86/185362686.db2.gz WIIDWTREUDMRSH-YEJXKQKISA-N 0 0 303.427 3.744 50 0 DHAARN Cc1ccc(SCC(F)(F)F)c(NCc2ncc[nH]2)c1 ZINC000095429238 185362724 /nfs/dbraw/zinc/36/27/24/185362724.db2.gz PLVUNMAHPHVOBD-UHFFFAOYSA-N 0 0 301.337 3.985 50 0 DHAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1ncc[nH]1 ZINC000095436255 185365037 /nfs/dbraw/zinc/36/50/37/185365037.db2.gz XLMKMZDQFIKRFW-UHFFFAOYSA-N 0 0 302.378 3.677 50 0 DHAARN CCOC(=O)CC[C@H]1CCCCN1c1nc2cc(C)ccc2o1 ZINC000095437238 185365175 /nfs/dbraw/zinc/36/51/75/185365175.db2.gz KTGPPGKSNJCLPN-CQSZACIVSA-N 0 0 316.401 3.838 50 0 DHAARN Cc1nnc([C@H](N[C@@H]2CCCc3sccc32)c2ccccc2)[nH]1 ZINC000095421726 185360662 /nfs/dbraw/zinc/36/06/62/185360662.db2.gz KCQFDRQMUZYEPX-NVXWUHKLSA-N 0 0 324.453 3.931 50 0 DHAARN Cc1cc(CSc2nnc(C)n2[C@@H]2CCC[C@H](C)C2)no1 ZINC000095442190 185366651 /nfs/dbraw/zinc/36/66/51/185366651.db2.gz DTXBCPIGQMORSS-IINYFYTJSA-N 0 0 306.435 3.926 50 0 DHAARN COc1cc(F)c(NCc2csc(C3CC3)n2)cc1OC ZINC000095442919 185366690 /nfs/dbraw/zinc/36/66/90/185366690.db2.gz CBFMLGPPULLUEC-UHFFFAOYSA-N 0 0 308.378 3.789 50 0 DHAARN CCc1cc(OCC(=O)Nc2ccccc2)c2ccccc2n1 ZINC000095445274 185367373 /nfs/dbraw/zinc/36/73/73/185367373.db2.gz BXHIRMGKKWDJGE-UHFFFAOYSA-N 0 0 306.365 3.815 50 0 DHAARN CC(=O)c1c(C)nc(C)nc1SCc1csc(C2CC2)n1 ZINC000095442160 185366533 /nfs/dbraw/zinc/36/65/33/185366533.db2.gz BMMQDTXHASJOND-UHFFFAOYSA-N 0 0 319.455 3.922 50 0 DHAARN CCCOc1cc(C)ccc1NC(=O)NC1(CC)CCOCC1 ZINC000095460887 185370875 /nfs/dbraw/zinc/37/08/75/185370875.db2.gz AMPYHKLDOXHIJU-UHFFFAOYSA-N 0 0 320.433 3.865 50 0 DHAARN Cc1csc(N(C(=O)c2cnc(C)nc2C)c2ccccc2)n1 ZINC000095464199 185371481 /nfs/dbraw/zinc/37/14/81/185371481.db2.gz KODXQYUJJXHYRR-UHFFFAOYSA-N 0 0 324.409 3.837 50 0 DHAARN COCCC1(C(=O)N2C[C@@H](c3ccsc3)C[C@@H]2C)CCC1 ZINC000097015017 185397196 /nfs/dbraw/zinc/39/71/96/185397196.db2.gz XMFKNXIZECNSLS-ZFWWWQNUSA-N 0 0 307.459 3.659 50 0 DHAARN C[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000095469099 185372379 /nfs/dbraw/zinc/37/23/79/185372379.db2.gz PNVNXGUXURAUPR-INMHGKMJSA-N 0 0 311.429 3.636 50 0 DHAARN COc1cc(F)c([C@H](C)NCc2ccncc2Cl)cc1OC ZINC000097033484 185399851 /nfs/dbraw/zinc/39/98/51/185399851.db2.gz XHAPSOVGYFQLSB-JTQLQIEISA-N 0 0 324.783 3.742 50 0 DHAARN Cc1nccc(-c2cccc(NC(=O)/C=C\c3ccco3)c2)n1 ZINC000097044282 185402267 /nfs/dbraw/zinc/40/22/67/185402267.db2.gz YKVYQKNHPPBYRU-FPLPWBNLSA-N 0 0 305.337 3.697 50 0 DHAARN CC(C)(C)O[C@@H](C(=O)N1CCc2cnccc21)c1ccccc1 ZINC000097084711 185407564 /nfs/dbraw/zinc/40/75/64/185407564.db2.gz NMSBASBILAHOFS-QGZVFWFLSA-N 0 0 310.397 3.527 50 0 DHAARN Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(C)n1)CCC2 ZINC000097142686 185414998 /nfs/dbraw/zinc/41/49/98/185414998.db2.gz NULPKPGORSLMBM-ZDUSSCGKSA-N 0 0 316.430 3.696 50 0 DHAARN Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(C)cc(C)n2)s1 ZINC000097142960 185415274 /nfs/dbraw/zinc/41/52/74/185415274.db2.gz BKNLXMVAZRLXQV-LBPRGKRZSA-N 0 0 318.446 3.997 50 0 DHAARN FC(F)(F)c1cccc(Br)c1N1CC(F)(F)C1 ZINC000169725666 197748330 /nfs/dbraw/zinc/74/83/30/197748330.db2.gz ONJBPGBLTZZWIK-UHFFFAOYSA-N 0 0 316.067 3.923 50 0 DHAARN Cc1cc(C)n(CCCNC(=O)Nc2c(C)cccc2Cl)n1 ZINC000097161895 185417680 /nfs/dbraw/zinc/41/76/80/185417680.db2.gz TWLFBFWYKFHXBS-UHFFFAOYSA-N 0 0 320.824 3.674 50 0 DHAARN C[C@H](C(=O)Nc1ccc2ccccc2n1)n1cnc2ccccc21 ZINC000032914219 190659394 /nfs/dbraw/zinc/65/93/94/190659394.db2.gz OPNQGXFLTLIAKV-CYBMUJFWSA-N 0 0 316.364 3.784 50 0 DHAARN COc1ccccc1CNC(=O)/C=C\c1cccc(Cl)c1 ZINC000033466921 190661137 /nfs/dbraw/zinc/66/11/37/190661137.db2.gz JYLZOEIEIOABOL-KTKRTIGZSA-N 0 0 301.773 3.678 50 0 DHAARN CC1(C)COCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000064517824 190702325 /nfs/dbraw/zinc/70/23/25/190702325.db2.gz BRGSBDSLVJGTPI-UHFFFAOYSA-N 0 0 306.406 3.560 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc2cnn(Cc3ccc(C)cc3)c2c1 ZINC000064664837 190704093 /nfs/dbraw/zinc/70/40/93/190704093.db2.gz UCSFURYGBIFIRA-HNNXBMFYSA-N 0 0 321.424 3.921 50 0 DHAARN CC[C@@H](C)NC(=O)CCCn1cc(-c2ccc(Cl)cc2)cn1 ZINC000227154447 201794993 /nfs/dbraw/zinc/79/49/93/201794993.db2.gz FYABAZNHWMARKY-CYBMUJFWSA-N 0 0 319.836 3.898 50 0 DHAARN Clc1ccc2c(c1)nccc2NCc1nc(C2CC2)no1 ZINC000069153694 190801720 /nfs/dbraw/zinc/80/17/20/190801720.db2.gz GGMNWPPXUKFQLS-UHFFFAOYSA-N 0 0 300.749 3.761 50 0 DHAARN Cc1ccc(-c2csc(NC(=O)C3CCOCC3)n2)s1 ZINC000069757551 190813830 /nfs/dbraw/zinc/81/38/30/190813830.db2.gz WPXXFWCMYAIJMB-UHFFFAOYSA-N 0 0 308.428 3.545 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccncc2)on1 ZINC000127127603 185919482 /nfs/dbraw/zinc/91/94/82/185919482.db2.gz JVNWMHFVBSQYIH-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN COC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000083891509 192388839 /nfs/dbraw/zinc/38/88/39/192388839.db2.gz SDVLGLNBUURNBG-UHFFFAOYSA-N 0 0 316.382 3.667 50 0 DHAARN COCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000083897856 192390738 /nfs/dbraw/zinc/39/07/38/192390738.db2.gz CFQGDEHAJOJTPD-UHFFFAOYSA-N 0 0 314.429 3.652 50 0 DHAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)c2cnoc2C)c1C ZINC000071614830 190994682 /nfs/dbraw/zinc/99/46/82/190994682.db2.gz FKKCEEFINJENDA-UHFFFAOYSA-N 0 0 311.385 3.574 50 0 DHAARN CCc1[nH]c2c(cc(C)cc2CNc2nccc(N(C)C)n2)c1C ZINC000071681813 191006537 /nfs/dbraw/zinc/00/65/37/191006537.db2.gz IEEMEWUMTUPPLJ-UHFFFAOYSA-N 0 0 323.444 3.815 50 0 DHAARN Cn1ccnc1SCCn1ccnc1-c1ccc(Cl)s1 ZINC000071730359 191016544 /nfs/dbraw/zinc/01/65/44/191016544.db2.gz FVLHRJAKMBOLOH-UHFFFAOYSA-N 0 0 324.862 3.791 50 0 DHAARN CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000071736501 191019653 /nfs/dbraw/zinc/01/96/53/191019653.db2.gz PFPKSYZLRFHIRJ-CVEARBPZSA-N 0 0 315.461 3.530 50 0 DHAARN Cc1c(NC(=O)N[C@@H](C)c2ccncc2)cccc1OC(F)F ZINC000072083580 191034515 /nfs/dbraw/zinc/03/45/15/191034515.db2.gz YPPCJCMNSXIAKG-NSHDSACASA-N 0 0 321.327 3.874 50 0 DHAARN CC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ncn1 ZINC000071765380 191027429 /nfs/dbraw/zinc/02/74/29/191027429.db2.gz OITHWVIVKRXARE-INIZCTEOSA-N 0 0 317.820 3.831 50 0 DHAARN O=C(C[C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000084578909 192442646 /nfs/dbraw/zinc/44/26/46/192442646.db2.gz CVAYIXFWHQDWSX-GOEBONIOSA-N 0 0 311.381 3.900 50 0 DHAARN CCc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000071768902 191029130 /nfs/dbraw/zinc/02/91/30/191029130.db2.gz FQJHIBDHQLMBAZ-UHFFFAOYSA-N 0 0 319.408 3.878 50 0 DHAARN COc1ccc(OC)c([C@@H]2CCN(c3ccc4cc[nH]c4n3)C2)c1 ZINC000072158881 191062705 /nfs/dbraw/zinc/06/27/05/191062705.db2.gz OVKZYLDQWZUUGD-CQSZACIVSA-N 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Cc1ccc(OCC(=O)Nc2cccc3ncccc32)cc1C ZINC000000360641 180766648 /nfs/dbraw/zinc/76/66/48/180766648.db2.gz PGERPMXRDQQWCS-UHFFFAOYSA-N 0 0 306.365 3.869 50 0 DHAARN Cc1ccc(C)c(CSC2=NN3CCCC(=O)N=C3S2)c1 ZINC000000425831 180786640 /nfs/dbraw/zinc/78/66/40/180786640.db2.gz RLSIWSNVQJUNKR-UHFFFAOYSA-N 0 0 319.455 3.533 50 0 DHAARN Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000000427698 180787104 /nfs/dbraw/zinc/78/71/04/180787104.db2.gz OMMQVOAXEPRMHH-CQSZACIVSA-N 0 0 311.381 3.801 50 0 DHAARN CC(C)C(=O)Oc1cc2ccccc2c(OC(=O)C(C)C)c1 ZINC000000433270 180789974 /nfs/dbraw/zinc/78/99/74/180789974.db2.gz FFNYICCQFHWSIT-UHFFFAOYSA-N 0 0 300.354 3.963 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000000434041 180790011 /nfs/dbraw/zinc/79/00/11/180790011.db2.gz NYFRXAHKMWXSNN-JXMROGBWSA-N 0 0 311.381 3.973 50 0 DHAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 ZINC000000423761 180784955 /nfs/dbraw/zinc/78/49/55/180784955.db2.gz JFRGTGQQSOEURZ-INIZCTEOSA-N 0 0 303.358 3.613 50 0 DHAARN O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccc(F)cc1F ZINC000000423912 180785004 /nfs/dbraw/zinc/78/50/04/180785004.db2.gz ZHRROMSKXRYYOF-HNNXBMFYSA-N 0 0 309.312 3.883 50 0 DHAARN O=C(Nc1cccc(NC(=O)C2CCCC2)c1)C1CCCC1 ZINC000000461602 180798815 /nfs/dbraw/zinc/79/88/15/180798815.db2.gz OAYJPUBBBRZYNP-UHFFFAOYSA-N 0 0 300.402 3.944 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000000469544 180800861 /nfs/dbraw/zinc/80/08/61/180800861.db2.gz RXHXGPUTPRWRNV-JTQLQIEISA-N 0 0 323.751 3.894 50 0 DHAARN Cc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2C(C)C)cc1 ZINC000000446280 180793765 /nfs/dbraw/zinc/79/37/65/180793765.db2.gz HUCBKSYEJCNGQJ-INIZCTEOSA-N 0 0 324.424 3.908 50 0 DHAARN COC(=O)c1c2c(sc1-n1c(C)cc(C=O)c1C)CCCC2 ZINC000000449316 180794322 /nfs/dbraw/zinc/79/43/22/180794322.db2.gz OXFIWBCFEMDNNG-UHFFFAOYSA-N 0 0 317.410 3.634 50 0 DHAARN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 ZINC000000450587 180795081 /nfs/dbraw/zinc/79/50/81/180795081.db2.gz VQRIXNLEELNTLI-MRXNPFEDSA-N 0 0 322.408 3.603 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000000451966 180795637 /nfs/dbraw/zinc/79/56/37/180795637.db2.gz JVLRUWFNXBVMKX-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN O=C(OCc1ccccc1Cl)c1cc2ccccc2oc1=O ZINC000000471442 180801756 /nfs/dbraw/zinc/80/17/56/180801756.db2.gz SJNJCJCLRNFXPV-UHFFFAOYSA-N 0 0 314.724 3.803 50 0 DHAARN COc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000000483231 180804523 /nfs/dbraw/zinc/80/45/23/180804523.db2.gz NOVPSZISYIKBIY-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN CC[C@@H]1CCc2c(sc(NC(=O)C(C)C)c2C(=O)OC)C1 ZINC000000483876 180805332 /nfs/dbraw/zinc/80/53/32/180805332.db2.gz CTEKUGNUZOWVBY-SNVBAGLBSA-N 0 0 309.431 3.644 50 0 DHAARN COc1ccc(O[C@@H](C)C(=O)NC2CCCCCCC2)cc1 ZINC000000514354 180810504 /nfs/dbraw/zinc/81/05/04/180810504.db2.gz UDJICLXHHGLTKD-AWEZNQCLSA-N 0 0 305.418 3.692 50 0 DHAARN O=CN[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000000524419 180813081 /nfs/dbraw/zinc/81/30/81/180813081.db2.gz IJIKGWHRAOHEIP-QMMMGPOBSA-N 0 0 319.040 3.874 50 0 DHAARN O=C1N2CCCN2[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000000552787 180819763 /nfs/dbraw/zinc/81/97/63/180819763.db2.gz DORYVZVGJKNMQU-MRXNPFEDSA-N 0 0 313.788 3.902 50 0 DHAARN COC(=O)c1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 ZINC000000817684 180835089 /nfs/dbraw/zinc/83/50/89/180835089.db2.gz CZDYEQSKGLEHAN-GOSISDBHSA-N 0 0 319.364 3.618 50 0 DHAARN COc1ccc(Nc2nc(C(=O)N3CCCCC3)cs2)cc1 ZINC000000819407 180835479 /nfs/dbraw/zinc/83/54/79/180835479.db2.gz OXSKUCYQGIWRFK-UHFFFAOYSA-N 0 0 317.414 3.521 50 0 DHAARN COc1cc(NC(=O)c2ccc(C)c(Cl)c2)cc(OC)c1 ZINC000000859012 180836178 /nfs/dbraw/zinc/83/61/78/180836178.db2.gz GPXFRKMUZORDHB-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN COc1cc(NC(=O)CSc2ccc(C)cc2)cc(OC)c1 ZINC000000615789 180830329 /nfs/dbraw/zinc/83/03/29/180830329.db2.gz ZTKKFHZCKCSPLG-UHFFFAOYSA-N 0 0 317.410 3.743 50 0 DHAARN CCOc1cc(C=O)cc(Cl)c1OC(=O)c1cccs1 ZINC000001058411 180843975 /nfs/dbraw/zinc/84/39/75/180843975.db2.gz MAUVJSLZPZVUPK-UHFFFAOYSA-N 0 0 310.758 3.832 50 0 DHAARN CCc1c(C)scc1C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000001055366 180843846 /nfs/dbraw/zinc/84/38/46/180843846.db2.gz UTYWSKDJIYTNJA-UHFFFAOYSA-N 0 0 317.410 3.966 50 0 DHAARN O=C(Nc1ccc(OC(=O)c2ccccc2)cc1)c1ccco1 ZINC000001075110 180845666 /nfs/dbraw/zinc/84/56/66/180845666.db2.gz ZHLXDBJYNPEQCS-UHFFFAOYSA-N 0 0 307.305 3.751 50 0 DHAARN CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C ZINC000001399799 180861482 /nfs/dbraw/zinc/86/14/82/180861482.db2.gz HDNYDYWQMDRREJ-UHFFFAOYSA-N 0 0 316.382 3.557 50 0 DHAARN CC(C)(C)Nc1nc(N)c(C(=O)c2ccc(Cl)cc2)s1 ZINC000001398625 180861626 /nfs/dbraw/zinc/86/16/26/180861626.db2.gz ZRACUNMWVDRTKH-UHFFFAOYSA-N 0 0 309.822 3.820 50 0 DHAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CC1 ZINC000001518424 180871597 /nfs/dbraw/zinc/87/15/97/180871597.db2.gz BVXCQJOVCBCPRI-UHFFFAOYSA-N 0 0 323.215 3.921 50 0 DHAARN O=C(CCc1ccccc1)NCc1ccc(-n2cccc2)cc1 ZINC000001426647 180864914 /nfs/dbraw/zinc/86/49/14/180864914.db2.gz SWWJBRBZXFURDF-UHFFFAOYSA-N 0 0 304.393 3.726 50 0 DHAARN Cn1ncc2c1nc(Nc1ccccc1)nc2Nc1ccccc1 ZINC000001576953 180874818 /nfs/dbraw/zinc/87/48/18/180874818.db2.gz FWWWCRNPDBSXOM-UHFFFAOYSA-N 0 0 316.368 3.851 50 0 DHAARN COc1ccc(NC(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000001753621 180895025 /nfs/dbraw/zinc/89/50/25/180895025.db2.gz PUIKUEUDEVXASS-UHFFFAOYSA-N 0 0 320.776 3.679 50 0 DHAARN CCc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000001934129 180902938 /nfs/dbraw/zinc/90/29/38/180902938.db2.gz ZOTBGPQYCCBFLQ-UHFFFAOYSA-N 0 0 317.772 3.698 50 0 DHAARN Cc1cc(C)c2c(c1)oc(-c1ccccc1)c/c2=N\C[C@@H](C)O ZINC000001892287 180900672 /nfs/dbraw/zinc/90/06/72/180900672.db2.gz VRKRUUVCLPQTQW-OTUOZYHDSA-N 0 0 307.393 3.998 50 0 DHAARN CC(=O)[C@@H](C)Oc1c(=O)c2ccc(C)cc2oc1-c1ccco1 ZINC000001910962 180901394 /nfs/dbraw/zinc/90/13/94/180901394.db2.gz JXRJPXUNWALSCF-GFCCVEGCSA-N 0 0 312.321 3.718 50 0 DHAARN COc1ccc(-c2noc(CCCc3ccccc3)n2)cc1OC ZINC000002197644 180915162 /nfs/dbraw/zinc/91/51/62/180915162.db2.gz UKNXBVBWXCQOKD-UHFFFAOYSA-N 0 0 324.380 3.929 50 0 DHAARN O=C(NCCOCc1ccccc1)c1cccc2ccccc21 ZINC000002227450 180915877 /nfs/dbraw/zinc/91/58/77/180915877.db2.gz WMDNMZHHSDYISE-UHFFFAOYSA-N 0 0 305.377 3.786 50 0 DHAARN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000002485525 180927140 /nfs/dbraw/zinc/92/71/40/180927140.db2.gz CWMROLBDDJVRLR-UHFFFAOYSA-N 0 0 302.201 3.775 50 0 DHAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000002402407 180923413 /nfs/dbraw/zinc/92/34/13/180923413.db2.gz QGXQGCZUCZDMRD-KRWDZBQOSA-N 0 0 319.360 3.667 50 0 DHAARN CCOC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(F)cc1 ZINC000002520663 180931429 /nfs/dbraw/zinc/93/14/29/180931429.db2.gz KIYLSXORQGQIGJ-UHFFFAOYSA-N 0 0 324.355 3.914 50 0 DHAARN CC(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000002638469 180942484 /nfs/dbraw/zinc/94/24/84/180942484.db2.gz JSGOASARCSOGQN-UHFFFAOYSA-N 0 0 305.736 3.863 50 0 DHAARN CCc1cccc2c(C(=O)COC(=O)C=Cc3ccco3)c[nH]c21 ZINC000002642979 180942971 /nfs/dbraw/zinc/94/29/71/180942971.db2.gz RUDOBMXVNYUKGT-CMDGGOBGSA-N 0 0 323.348 3.763 50 0 DHAARN CCc1nnc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)s1 ZINC000002659042 180945277 /nfs/dbraw/zinc/94/52/77/180945277.db2.gz XRVYDRFNNCZVTJ-MRVPVSSYSA-N 0 0 307.444 3.539 50 0 DHAARN COc1ccc(-c2nnsc2-c2nc3ccccc3[nH]2)cc1 ZINC000002700215 180947189 /nfs/dbraw/zinc/94/71/89/180947189.db2.gz ARALYUIAXVEVHV-UHFFFAOYSA-N 0 0 308.366 3.757 50 0 DHAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)Cc1ccccc1 ZINC000002721903 180949100 /nfs/dbraw/zinc/94/91/00/180949100.db2.gz YFZHAGVUZLAVOQ-UHFFFAOYSA-N 0 0 322.364 3.526 50 0 DHAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ccccc1 ZINC000002789405 180957621 /nfs/dbraw/zinc/95/76/21/180957621.db2.gz IPOBKDWSUKTJLD-UHFFFAOYSA-N 0 0 308.208 3.895 50 0 DHAARN COc1ccc(CC(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000002761632 180953631 /nfs/dbraw/zinc/95/36/31/180953631.db2.gz VLCJDZBTEOQHJP-UHFFFAOYSA-N 0 0 304.415 3.630 50 0 DHAARN Cc1c2c(sc1NC(=O)[C@@H](C)Oc1cccnc1)CCCC2 ZINC000073115483 191279894 /nfs/dbraw/zinc/27/98/94/191279894.db2.gz KBQAJOLBDPZPCP-GFCCVEGCSA-N 0 0 316.426 3.736 50 0 DHAARN CCOC(=O)c1ccc(OCCOc2ccccc2C)cc1 ZINC000002815841 180961350 /nfs/dbraw/zinc/96/13/50/180961350.db2.gz NFXHNEGSXRKGMX-UHFFFAOYSA-N 0 0 300.354 3.630 50 0 DHAARN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2)CC1 ZINC000002812211 180960452 /nfs/dbraw/zinc/96/04/52/180960452.db2.gz RIXCPOLUWFQJPT-UHFFFAOYSA-N 0 0 316.445 3.736 50 0 DHAARN O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccccc1Cl ZINC000002928338 180970665 /nfs/dbraw/zinc/97/06/65/180970665.db2.gz HHNGDAGIFSUWFB-UHFFFAOYSA-N 0 0 324.811 3.990 50 0 DHAARN CC[C@@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000002994021 180975233 /nfs/dbraw/zinc/97/52/33/180975233.db2.gz BXRMUOJFVNNURK-NXEZZACHSA-N 0 0 304.217 3.923 50 0 DHAARN Cc1cccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1C ZINC000003004962 180976773 /nfs/dbraw/zinc/97/67/73/180976773.db2.gz VNAOQCWRZITHPU-UHFFFAOYSA-N 0 0 324.424 3.682 50 0 DHAARN O=C(NCc1ccccc1)c1ccccc1C(=O)c1ccccc1 ZINC000003131897 180984013 /nfs/dbraw/zinc/98/40/13/180984013.db2.gz ACGSXNGFVFYNBD-UHFFFAOYSA-N 0 0 315.372 3.848 50 0 DHAARN O=C(c1c(Cl)nc2sccn21)N1CCCc2ccccc21 ZINC000003176650 180988739 /nfs/dbraw/zinc/98/87/39/180988739.db2.gz CMDZWIOCNBJDOK-UHFFFAOYSA-N 0 0 317.801 3.642 50 0 DHAARN C[C@@]1(C(=O)OCC(=O)c2ccc(Cl)cc2)CC1(Cl)Cl ZINC000003265321 180998022 /nfs/dbraw/zinc/99/80/22/180998022.db2.gz KSNLSUVLHKBVHL-LBPRGKRZSA-N 0 0 321.587 3.650 50 0 DHAARN Cc1noc(C)c1COC(=O)Cc1c(Cl)cccc1Cl ZINC000003317834 181004519 /nfs/dbraw/zinc/00/45/19/181004519.db2.gz DSTUHKARVCASMJ-UHFFFAOYSA-N 0 0 314.168 3.884 50 0 DHAARN Cc1cc(N)n(-c2nc(C)nc3sc(-c4ccccc4)cc32)n1 ZINC000003323232 181005227 /nfs/dbraw/zinc/00/52/27/181005227.db2.gz QEXHCZZJAIHUBI-UHFFFAOYSA-N 0 0 321.409 3.743 50 0 DHAARN Cc1noc(C)c1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000003297204 181001333 /nfs/dbraw/zinc/00/13/33/181001333.db2.gz QPSPLUUJNPKBPB-UHFFFAOYSA-N 0 0 312.369 3.839 50 0 DHAARN CCCc1ccc(C(=O)COc2ccc(C=O)cc2OC)cc1 ZINC000003295378 181001703 /nfs/dbraw/zinc/00/17/03/181001703.db2.gz AWPZZOOXDIPCES-UHFFFAOYSA-N 0 0 312.365 3.722 50 0 DHAARN Cc1cc(SCC(=O)Nc2nccs2)nc2ccccc12 ZINC000003303546 181002318 /nfs/dbraw/zinc/00/23/18/181002318.db2.gz ASRADZLDBODOMW-UHFFFAOYSA-N 0 0 315.423 3.731 50 0 DHAARN O=S(=O)(NC1CCCCCC1)c1ccccc1C(F)(F)F ZINC000003300003 181002418 /nfs/dbraw/zinc/00/24/18/181002418.db2.gz ROAOBXDJTBWQHV-UHFFFAOYSA-N 0 0 321.364 3.707 50 0 DHAARN CN1c2ccccc2C(C)(C)/C1=C\C(=S)NC(=O)C1CCC1 ZINC000003313284 181003768 /nfs/dbraw/zinc/00/37/68/181003768.db2.gz NOKOBQGXUQIIOX-RVDMUPIBSA-N 0 0 314.454 3.542 50 0 DHAARN Cc1cc(C)c(C)c(S(=O)(=O)NC2CCCCCC2)c1C ZINC000003366143 181012371 /nfs/dbraw/zinc/01/23/71/181012371.db2.gz VHGUZSWWCWZPJA-UHFFFAOYSA-N 0 0 309.475 3.921 50 0 DHAARN O=C1CCCN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000003331002 181006769 /nfs/dbraw/zinc/00/67/69/181006769.db2.gz IBIYIAPXHCCIBW-UHFFFAOYSA-N 0 0 323.215 3.699 50 0 DHAARN Cc1ccccc1Nc1nc(N)nc(CSc2ccccc2)n1 ZINC000003330003 181006784 /nfs/dbraw/zinc/00/67/84/181006784.db2.gz DAMLPIVDOPCSSN-UHFFFAOYSA-N 0 0 323.425 3.798 50 0 DHAARN Nc1nnc(SCc2cnc(-c3ccccc3)s2)s1 ZINC000003339550 181008249 /nfs/dbraw/zinc/00/82/49/181008249.db2.gz FMZQZVDBCZXGGN-UHFFFAOYSA-N 0 0 306.441 3.536 50 0 DHAARN COc1ccc(C(C)=O)cc1COC(=O)c1sccc1C ZINC000003342159 181008573 /nfs/dbraw/zinc/00/85/73/181008573.db2.gz LUVBVGOSUFWGNR-UHFFFAOYSA-N 0 0 304.367 3.625 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000003349944 181009888 /nfs/dbraw/zinc/00/98/88/181009888.db2.gz GDDGFXKVNOJJRS-UHFFFAOYSA-N 0 0 322.286 3.916 50 0 DHAARN CC(C)(C)c1csc(NC(=O)c2ccc3nccnc3c2)n1 ZINC000003359763 181011239 /nfs/dbraw/zinc/01/12/39/181011239.db2.gz OIUCYBOEOOSATB-UHFFFAOYSA-N 0 0 312.398 3.636 50 0 DHAARN Cc1cc(C)cc(OCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000003453962 181022110 /nfs/dbraw/zinc/02/21/10/181022110.db2.gz KNDHZZGOGOZIHO-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN Cc1ccc(F)cc1NCC(=O)Nc1ccc(Cl)cc1F ZINC000003398541 181014982 /nfs/dbraw/zinc/01/49/82/181014982.db2.gz ZVHHPTZIWZYKJO-UHFFFAOYSA-N 0 0 310.731 3.977 50 0 DHAARN Cc1ccc(NC(=O)CNc2ccc(F)cc2F)cc1Cl ZINC000003406171 181015756 /nfs/dbraw/zinc/01/57/56/181015756.db2.gz QWOVWTOKECBLCD-UHFFFAOYSA-N 0 0 310.731 3.977 50 0 DHAARN O=C(COc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 ZINC000003402990 181015955 /nfs/dbraw/zinc/01/59/55/181015955.db2.gz IRGFPBIUIDMAOJ-UHFFFAOYSA-N 0 0 322.191 3.962 50 0 DHAARN CCOc1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1 ZINC000003411522 181016433 /nfs/dbraw/zinc/01/64/33/181016433.db2.gz JBZLHQAJUBIDMK-UHFFFAOYSA-N 0 0 320.392 3.906 50 0 DHAARN Cc1csc(SCC(=O)Nc2ccc(F)cc2Cl)n1 ZINC000003413865 181016823 /nfs/dbraw/zinc/01/68/23/181016823.db2.gz PHTIMCNFVZMQEW-UHFFFAOYSA-N 0 0 316.810 3.975 50 0 DHAARN Cc1csc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n1 ZINC000003413767 181016900 /nfs/dbraw/zinc/01/69/00/181016900.db2.gz AYNIMJPPZBZRFA-QMMMGPOBSA-N 0 0 313.835 3.619 50 0 DHAARN COc1ccc(Nc2nnc(SC[C@@H]3CCCO3)s2)cc1 ZINC000003422422 181017701 /nfs/dbraw/zinc/01/77/01/181017701.db2.gz ZMCQAFTVQZUFGZ-LBPRGKRZSA-N 0 0 323.443 3.561 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)o1 ZINC000003439938 181020224 /nfs/dbraw/zinc/02/02/24/181020224.db2.gz BEYALJNSKSSGJF-UHFFFAOYSA-N 0 0 301.342 3.507 50 0 DHAARN COc1cc(OC)cc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000003528648 181030464 /nfs/dbraw/zinc/03/04/64/181030464.db2.gz ZSSKEGGTKAKKKK-UHFFFAOYSA-N 0 0 320.414 3.710 50 0 DHAARN O=C(COc1cc(Cl)ccc1Cl)N1CCc2ccccc21 ZINC000003469450 181024150 /nfs/dbraw/zinc/02/41/50/181024150.db2.gz VZOFOAQZXSPWQB-UHFFFAOYSA-N 0 0 322.191 3.962 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1C ZINC000003507287 181027577 /nfs/dbraw/zinc/02/75/77/181027577.db2.gz WOMWOPLKOKSXQE-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN O=C(COc1cccc(Cl)c1)Nc1ccc2c(c1)CCC2 ZINC000003515951 181029211 /nfs/dbraw/zinc/02/92/11/181029211.db2.gz ZNFVVWQYZSVRDH-UHFFFAOYSA-N 0 0 301.773 3.846 50 0 DHAARN COc1ccc(Br)c(C(=O)NC2CCCCC2)c1 ZINC000003523362 181029793 /nfs/dbraw/zinc/02/97/93/181029793.db2.gz FMLCXEUOJPYARB-UHFFFAOYSA-N 0 0 312.207 3.520 50 0 DHAARN Cc1ccc(C)c(SCc2cc(=O)n3ccsc3n2)c1 ZINC000003523048 181030088 /nfs/dbraw/zinc/03/00/88/181030088.db2.gz FKSYEOCZPSWUIO-UHFFFAOYSA-N 0 0 302.424 3.665 50 0 DHAARN COc1ccc(CCC(=O)Nc2cccc(SC)c2)cc1 ZINC000003548741 181033152 /nfs/dbraw/zinc/03/31/52/181033152.db2.gz DDYHHGRDWDETNM-UHFFFAOYSA-N 0 0 301.411 3.988 50 0 DHAARN O=C(Cc1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000003561007 181034364 /nfs/dbraw/zinc/03/43/64/181034364.db2.gz WBYOZPLPZGXIST-UHFFFAOYSA-N 0 0 313.250 3.906 50 0 DHAARN C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000003564669 181035136 /nfs/dbraw/zinc/03/51/36/181035136.db2.gz RGWUWGUNSKANCG-JTQLQIEISA-N 0 0 301.217 3.664 50 0 DHAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000003581415 181037074 /nfs/dbraw/zinc/03/70/74/181037074.db2.gz PWYHSYNRUYQWNP-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000003611508 181040827 /nfs/dbraw/zinc/04/08/27/181040827.db2.gz LFPVYMKWCQEZCA-LBPRGKRZSA-N 0 0 317.772 3.949 50 0 DHAARN COc1ccccc1CNC(=O)c1cccc(Cl)c1Cl ZINC000003614968 181041515 /nfs/dbraw/zinc/04/15/15/181041515.db2.gz RKQAUYFLIRTKSK-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc(F)cc2)c1 ZINC000003617078 181041625 /nfs/dbraw/zinc/04/16/25/181041625.db2.gz FCIXDRMGYXDSCO-UHFFFAOYSA-N 0 0 300.377 3.513 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000003608071 181039946 /nfs/dbraw/zinc/03/99/46/181039946.db2.gz SXCOEWUNFSJWLC-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN Oc1ccccc1-c1nc2cnccn2c1Nc1ccccc1 ZINC000003896531 181053726 /nfs/dbraw/zinc/05/37/26/181053726.db2.gz RBGYIEZFJOKJQW-UHFFFAOYSA-N 0 0 302.337 3.846 50 0 DHAARN COc1cc2c(cc1OC)[C@@H](c1ccc(C)s1)CC(=O)N2 ZINC000003907451 181056028 /nfs/dbraw/zinc/05/60/28/181056028.db2.gz ZXYPJMJVUVUBMT-NSHDSACASA-N 0 0 303.383 3.548 50 0 DHAARN CC(C)=CC/C=C1/CC[C@H]2C(=O)N(c3ccccc3)NC(=O)[C@H]2C1 ZINC000004028884 181064331 /nfs/dbraw/zinc/06/43/31/181064331.db2.gz LAQLAJSRFNHUCR-FZLPANGMSA-N 0 0 324.424 3.763 50 0 biogenic DHAARN Cc1ccc2nc(-c3cccc(Br)c3)oc(=O)c2c1 ZINC000004105133 181073367 /nfs/dbraw/zinc/07/33/67/181073367.db2.gz MUPJPEHAWJRAFD-UHFFFAOYSA-N 0 0 316.154 3.926 50 0 DHAARN O=C1NC(=S)SC1=Cc1ccc(Oc2cnccn2)cc1 ZINC000004108333 181074326 /nfs/dbraw/zinc/07/43/26/181074326.db2.gz NGYMWKJPYGZNMY-YRNVUSSQSA-N 0 0 315.379 3.598 50 0 DHAARN C[C@H](Cc1ccccc1)n1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000004065555 181068872 /nfs/dbraw/zinc/06/88/72/181068872.db2.gz LJVNNKIKRDBZBZ-GFCCVEGCSA-N 0 0 321.355 3.821 50 0 DHAARN Cc1nnc(NC(=O)c2ccc(Cc3ccccc3)cc2)s1 ZINC000004072254 181069801 /nfs/dbraw/zinc/06/98/01/181069801.db2.gz REJDVOOWDZGXDN-UHFFFAOYSA-N 0 0 309.394 3.690 50 0 DHAARN Cc1oc2ccc(O)cc2c1C(=O)OCCOc1ccccc1 ZINC000004136947 181077952 /nfs/dbraw/zinc/07/79/52/181077952.db2.gz RKEZNYNYIJIQDT-UHFFFAOYSA-N 0 0 312.321 3.683 50 0 DHAARN Cc1ccc(N2N3C(=O)O[C@]4(C)CC[C@@H](C2(C)C)[C@@]34C)cc1 ZINC000004143856 181078606 /nfs/dbraw/zinc/07/86/06/181078606.db2.gz GENIPKLLJWZBFJ-BMGDILEWSA-N 0 0 300.402 3.888 50 0 DHAARN CCCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000004163371 181080408 /nfs/dbraw/zinc/08/04/08/181080408.db2.gz MOOLEHXDVXTQNW-UHFFFAOYSA-N 0 0 324.355 3.933 50 0 DHAARN CC(C)[C@H](O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1 ZINC000004258301 181088744 /nfs/dbraw/zinc/08/87/44/181088744.db2.gz KUEAKBUJPKQVJA-UUSOHVMFSA-N 0 0 312.200 3.600 50 0 DHAARN CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000004283710 181092744 /nfs/dbraw/zinc/09/27/44/181092744.db2.gz RTIIZIIIVCPJER-UHFFFAOYSA-N 0 0 303.745 3.560 50 0 DHAARN COc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(OC)cc1Cl ZINC000004322997 181097763 /nfs/dbraw/zinc/09/77/63/181097763.db2.gz WHHFFWXAHHEODY-HBNTYKKESA-N 0 0 309.793 3.732 50 0 DHAARN CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2ncccc2c1 ZINC000004335178 181099351 /nfs/dbraw/zinc/09/93/51/181099351.db2.gz BCQBVOKKMWXNRU-QGZVFWFLSA-N 0 0 321.405 3.994 50 0 DHAARN CC(=O)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000004335036 181099556 /nfs/dbraw/zinc/09/95/56/181099556.db2.gz ZDYVODWJRABWDL-IEBWSBKVSA-N 0 0 308.356 3.696 50 0 DHAARN CC1=NN=C(c2ccccc2)[C@H](c2c[nH]c3ccccc32)N1O ZINC000004452507 181109964 /nfs/dbraw/zinc/10/99/64/181109964.db2.gz QYOYACZSUPXYTA-SFHVURJKSA-N 0 0 304.353 3.737 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004404767 181107435 /nfs/dbraw/zinc/10/74/35/181107435.db2.gz MZNDFNKEUVZWIE-UHFFFAOYSA-N 0 0 312.413 3.800 50 0 DHAARN Cc1cc(OCCCn2nnc3ccccc32)ccc1Cl ZINC000004487657 181113593 /nfs/dbraw/zinc/11/35/93/181113593.db2.gz HKNUFVCYHZPDCX-UHFFFAOYSA-N 0 0 301.777 3.862 50 0 DHAARN C/C=C/c1ccc(OCCn2nnc3ccccc32)c(OC)c1 ZINC000004487645 181113780 /nfs/dbraw/zinc/11/37/80/181113780.db2.gz VGOQEHVSVRHUOD-ZZXKWVIFSA-N 0 0 309.369 3.552 50 0 DHAARN CSc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 ZINC000004517549 181119010 /nfs/dbraw/zinc/11/90/10/181119010.db2.gz WACQQSHFPOUCQX-UHFFFAOYSA-N 0 0 317.395 3.772 50 0 DHAARN CO[C@](F)(C(=O)Oc1ccc2ccccc2c1)C(F)(F)F ZINC000004568397 181125309 /nfs/dbraw/zinc/12/53/09/181125309.db2.gz ZLVWBIBZWARVIW-CYBMUJFWSA-N 0 0 302.223 3.620 50 0 DHAARN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000004592807 181127853 /nfs/dbraw/zinc/12/78/53/181127853.db2.gz XPZDBBLKGGQCOM-XXHBBNRNSA-N 0 0 310.180 3.529 50 0 DHAARN CCN(CC)S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000004602624 181129543 /nfs/dbraw/zinc/12/95/43/181129543.db2.gz KTXALOOHFVYPGP-UHFFFAOYSA-N 0 0 303.383 3.617 50 0 DHAARN C/C(=C\c1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000004602608 181129230 /nfs/dbraw/zinc/12/92/30/181129230.db2.gz IKESVNDXMWZZTB-BQYQJAHWSA-N 0 0 313.304 3.599 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)O[C@@H]1c1ccccc1 ZINC000004603957 181129369 /nfs/dbraw/zinc/12/93/69/181129369.db2.gz GFNYGSJTVOPVCO-GOEBONIOSA-N 0 0 315.756 3.583 50 0 DHAARN CC(C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O ZINC000004668676 181133987 /nfs/dbraw/zinc/13/39/87/181133987.db2.gz NGOKOWPRKNLGIS-JLHYYAGUSA-N 0 0 320.414 3.715 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000004673019 181134653 /nfs/dbraw/zinc/13/46/53/181134653.db2.gz WLSGLEBFNSMNPH-JXMROGBWSA-N 0 0 314.772 3.950 50 0 DHAARN COc1ccccc1NC(=O)CCSc1nc(C)cs1 ZINC000004668903 181134676 /nfs/dbraw/zinc/13/46/76/181134676.db2.gz XUYPBPVXFIWXIT-UHFFFAOYSA-N 0 0 308.428 3.581 50 0 DHAARN CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000004611997 181129915 /nfs/dbraw/zinc/12/99/15/181129915.db2.gz IBRPKVDVBBYOAR-UHFFFAOYSA-N 0 0 309.431 3.932 50 0 DHAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2ccccc2C1 ZINC000004693895 181137860 /nfs/dbraw/zinc/13/78/60/181137860.db2.gz SXCJUFVIFDNROM-UHFFFAOYSA-N 0 0 310.441 3.723 50 0 DHAARN CCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O ZINC000004695314 181137960 /nfs/dbraw/zinc/13/79/60/181137960.db2.gz QKEFASJJOCKTFP-JXMROGBWSA-N 0 0 312.188 3.505 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)CCCC(=O)Nc1ccccn1 ZINC000004678224 181135466 /nfs/dbraw/zinc/13/54/66/181135466.db2.gz ZSIOIYNVDUYEOG-OAHLLOKOSA-N 0 0 319.449 3.523 50 0 DHAARN Cc1cc2ccccc2n1CC(=O)N1CCc2ccccc2C1 ZINC000004675723 181135501 /nfs/dbraw/zinc/13/55/01/181135501.db2.gz RFYBQCOBRXJQBD-UHFFFAOYSA-N 0 0 304.393 3.535 50 0 DHAARN Cc1cccnc1N(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000004710354 181140430 /nfs/dbraw/zinc/14/04/30/181140430.db2.gz SSQGHUHHQXYVBJ-UHFFFAOYSA-N 0 0 316.360 3.877 50 0 DHAARN CCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1C ZINC000004724787 181143140 /nfs/dbraw/zinc/14/31/40/181143140.db2.gz OUTHGWMESYQPAH-UHFFFAOYSA-N 0 0 311.385 3.779 50 0 DHAARN CC[C@H](C)Sc1nnc(NC(=O)Cc2cccs2)s1 ZINC000004731655 181144024 /nfs/dbraw/zinc/14/40/24/181144024.db2.gz GSKYIUFNNGCKSY-QMMMGPOBSA-N 0 0 313.473 3.671 50 0 DHAARN CCCCOc1ccc(CN2c3ccc(C)cc3C(=O)C2=O)cc1 ZINC000004784118 181151701 /nfs/dbraw/zinc/15/17/01/181151701.db2.gz CGUXYYCVEWHBHS-UHFFFAOYSA-N 0 0 323.392 3.903 50 0 DHAARN CCSc1nnc(NC(=O)CCCc2ccccc2)s1 ZINC000004803494 181153782 /nfs/dbraw/zinc/15/37/82/181153782.db2.gz VYEUUDZEFHTMNF-UHFFFAOYSA-N 0 0 307.444 3.612 50 0 DHAARN CCSc1nc2sc3c(c2c(NC(N)=O)n1)CCCCC3 ZINC000004807486 181153702 /nfs/dbraw/zinc/15/37/02/181153702.db2.gz JKZHMMADAWGLPS-UHFFFAOYSA-N 0 0 322.459 3.563 50 0 DHAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2CNC=O)c1C ZINC000004809881 181154525 /nfs/dbraw/zinc/15/45/25/181154525.db2.gz AEYZMWXDICNSTN-UHFFFAOYSA-N 0 0 321.424 3.564 50 0 DHAARN Nc1c(-c2ccccc2)cnn1-c1ccc(Br)cc1 ZINC000004807284 181153981 /nfs/dbraw/zinc/15/39/81/181153981.db2.gz NOOXXEXCEOWSMC-UHFFFAOYSA-N 0 0 314.186 3.884 50 0 DHAARN COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1OC ZINC000004841712 181161240 /nfs/dbraw/zinc/16/12/40/181161240.db2.gz ARHVLNQGECPFND-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN O=C(Nc1nccs1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000004831885 181158781 /nfs/dbraw/zinc/15/87/81/181158781.db2.gz YGMASENZXLIZPO-ZJUUUORDSA-N 0 0 313.209 3.669 50 0 DHAARN CCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000004855231 181163811 /nfs/dbraw/zinc/16/38/11/181163811.db2.gz VTJAGMWVNVICEZ-UHFFFAOYSA-N 0 0 310.397 3.997 50 0 DHAARN CC(C)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000004854499 181163871 /nfs/dbraw/zinc/16/38/71/181163871.db2.gz UXXUKLHEYRJJTJ-CQSZACIVSA-N 0 0 310.397 3.626 50 0 DHAARN CCOc1ccccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000004842441 181161944 /nfs/dbraw/zinc/16/19/44/181161944.db2.gz OOAWNTKWLVXDMF-UHFFFAOYSA-N 0 0 324.380 3.686 50 0 DHAARN O=C1Nc2ccc(Br)cc2[C@@H]1Cc1ccccc1 ZINC000004842566 181161967 /nfs/dbraw/zinc/16/19/67/181161967.db2.gz FENNDDWPHIOHBV-ZDUSSCGKSA-N 0 0 302.171 3.728 50 0 DHAARN CCCC(CCC)C(=O)Nc1c2ccccc2oc1C(N)=O ZINC000004851868 181163085 /nfs/dbraw/zinc/16/30/85/181163085.db2.gz GUEGCURCPCYWAL-UHFFFAOYSA-N 0 0 302.374 3.687 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1OCCc2ccccc21 ZINC000004858301 181164365 /nfs/dbraw/zinc/16/43/65/181164365.db2.gz YZPYIIQRBINMCO-OAHLLOKOSA-N 0 0 321.298 3.958 50 0 DHAARN O=C1NC2(CCCCCC2)N=C1c1ccc(Cl)cc1Cl ZINC000004891324 181168471 /nfs/dbraw/zinc/16/84/71/181168471.db2.gz KPPNCLPTVOAKBN-UHFFFAOYSA-N 0 0 311.212 3.963 50 0 DHAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000004896203 181169383 /nfs/dbraw/zinc/16/93/83/181169383.db2.gz SJDLTXFILISTBP-DVEALZNXSA-N 0 0 304.474 3.917 50 0 in-vitro DHAARN COc1ccc(OCC(=O)Nc2cccc3nc(C)ccc32)cc1 ZINC000004939726 181175618 /nfs/dbraw/zinc/17/56/18/181175618.db2.gz GJIAXAGPQZNEFZ-UHFFFAOYSA-N 0 0 322.364 3.569 50 0 DHAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)(C)C ZINC000004943842 181176789 /nfs/dbraw/zinc/17/67/89/181176789.db2.gz UUZJENQRJZRBPD-UHFFFAOYSA-N 0 0 321.808 3.785 50 0 DHAARN Cc1nnc(SCC(=O)c2c(C)n(C)c3ccccc32)s1 ZINC000004973759 181181951 /nfs/dbraw/zinc/18/19/51/181181951.db2.gz ARJCFWCJFBSNIA-UHFFFAOYSA-N 0 0 317.439 3.622 50 0 DHAARN CC(C)[C@@H]1CN(C(=O)CCc2cscn2)c2ccccc2N1 ZINC000075092696 191415817 /nfs/dbraw/zinc/41/58/17/191415817.db2.gz AVLKAZGAOBWRRW-HNNXBMFYSA-N 0 0 315.442 3.559 50 0 DHAARN O=C(NCc1ccncc1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000075127695 191426146 /nfs/dbraw/zinc/42/61/46/191426146.db2.gz IKKZCJQLSMMOIO-QGZVFWFLSA-N 0 0 313.376 3.561 50 0 DHAARN O=C(Cc1ccc(F)cc1)N1CCC(c2ccsc2)CC1 ZINC000075157106 191435232 /nfs/dbraw/zinc/43/52/32/191435232.db2.gz NLELTKBPUOGNPQ-UHFFFAOYSA-N 0 0 303.402 3.836 50 0 DHAARN CCc1ccccc1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000005029645 181193312 /nfs/dbraw/zinc/19/33/12/181193312.db2.gz KARSRYSRTMRYCU-QGZVFWFLSA-N 0 0 312.344 3.520 50 0 DHAARN C/C=C/C=C(/NC(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000005008632 181190154 /nfs/dbraw/zinc/19/01/54/181190154.db2.gz CPZFPALHZKINHU-ISJMYAIPSA-N 0 0 306.365 3.515 50 0 DHAARN C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000005020542 181191583 /nfs/dbraw/zinc/19/15/83/181191583.db2.gz SEYJPNSFEQBZMZ-LBPRGKRZSA-N 0 0 318.214 3.810 50 0 DHAARN O=C(COc1ccc(Cl)cc1Br)c1ccc[nH]1 ZINC000005048538 181195811 /nfs/dbraw/zinc/19/58/11/181195811.db2.gz ZHRPVXAWHUYNLA-UHFFFAOYSA-N 0 0 314.566 3.692 50 0 DHAARN Cc1ccc(OCc2occc2C(=O)Nc2nccs2)cc1 ZINC000005032796 181194212 /nfs/dbraw/zinc/19/42/12/181194212.db2.gz BJINSMAYSYZRAT-UHFFFAOYSA-N 0 0 314.366 3.876 50 0 DHAARN CCOc1ccc(NCc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000005054460 181197988 /nfs/dbraw/zinc/19/79/88/181197988.db2.gz ZYBRULJMMSGMPD-UHFFFAOYSA-N 0 0 308.381 3.847 50 0 DHAARN CCSc1ccc(C(=O)N(C)c2ccc(Cl)cn2)cn1 ZINC000076347152 191625210 /nfs/dbraw/zinc/62/52/10/191625210.db2.gz CVJVUJYKSKGHNZ-UHFFFAOYSA-N 0 0 307.806 3.519 50 0 DHAARN OCC[C@H](Nc1cccc(C(F)(F)F)n1)c1cccs1 ZINC000077236039 191676756 /nfs/dbraw/zinc/67/67/56/191676756.db2.gz HZQPUYDLGHOOAW-VIFPVBQESA-N 0 0 302.321 3.698 50 0 DHAARN O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1ccco1 ZINC000005068291 181200361 /nfs/dbraw/zinc/20/03/61/181200361.db2.gz JBQKYEOQIDGEDG-INIZCTEOSA-N 0 0 309.365 3.905 50 0 DHAARN O=C(CCc1cccnc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077321142 191693132 /nfs/dbraw/zinc/69/31/32/191693132.db2.gz DIAVGFZKBOOMKT-SFHVURJKSA-N 0 0 312.388 3.907 50 0 DHAARN Cc1occc1C(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000077426674 191714128 /nfs/dbraw/zinc/71/41/28/191714128.db2.gz HCGJBZCNSTXHBC-INIZCTEOSA-N 0 0 309.369 3.750 50 0 DHAARN CCCCOc1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1 ZINC000005124325 181206609 /nfs/dbraw/zinc/20/66/09/181206609.db2.gz SWGRSZRMRBOYES-VBKFSLOCSA-N 0 0 311.337 3.803 50 0 DHAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000005126754 181206282 /nfs/dbraw/zinc/20/62/82/181206282.db2.gz NOMXWIQTJPYTJX-UHFFFAOYSA-N 0 0 311.353 3.889 50 0 DHAARN CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2)c(C)c1C=O ZINC000005138308 181208640 /nfs/dbraw/zinc/20/86/40/181208640.db2.gz YYXXDVSJHVRZIF-UHFFFAOYSA-N 0 0 319.788 3.796 50 0 DHAARN Cc1ccc(NC(=O)Cn2cc3c(n2)CCCCC3)cc1Cl ZINC000005148698 181209378 /nfs/dbraw/zinc/20/93/78/181209378.db2.gz HVORLGUSDHHNRH-UHFFFAOYSA-N 0 0 317.820 3.753 50 0 DHAARN COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1 ZINC000005199257 181216308 /nfs/dbraw/zinc/21/63/08/181216308.db2.gz GQEMLAWOCPRXFY-UHFFFAOYSA-N 0 0 320.776 3.540 50 0 DHAARN Cc1nc2ccccc2n1CCC(=O)NCCC1=CCCCC1 ZINC000005208410 181217031 /nfs/dbraw/zinc/21/70/31/181217031.db2.gz QWRREXQRYQMGTE-UHFFFAOYSA-N 0 0 311.429 3.742 50 0 DHAARN 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CN(C1CCCCC1)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000005256780 181222737 /nfs/dbraw/zinc/22/27/37/181222737.db2.gz LNMXRNQNPGCPSV-UHFFFAOYSA-N 0 0 305.443 3.568 50 0 DHAARN Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C ZINC000005378482 181236512 /nfs/dbraw/zinc/23/65/12/181236512.db2.gz UFGGFGVPBVKBSO-UHFFFAOYSA-N 0 0 311.204 3.775 50 0 DHAARN Brc1ccc2oc3c(ncnc3N3CCCC3)c2c1 ZINC000005277905 181225588 /nfs/dbraw/zinc/22/55/88/181225588.db2.gz HNWZTLSCLUHCSB-UHFFFAOYSA-N 0 0 318.174 3.739 50 0 DHAARN CC(C)(C)C1=N/C(=C\c2ccc(Br)cc2)C(=O)O1 ZINC000005283932 181226317 /nfs/dbraw/zinc/22/63/17/181226317.db2.gz HEWRZEANIBAKSS-FLIBITNWSA-N 0 0 308.175 3.791 50 0 DHAARN COCCNc1cc(C(C)C)nc2c(-c3ccccc3)cnn21 ZINC000005307743 181228504 /nfs/dbraw/zinc/22/85/04/181228504.db2.gz NNIXHGPWJWAQSQ-UHFFFAOYSA-N 0 0 310.401 3.578 50 0 DHAARN O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000005331373 181230276 /nfs/dbraw/zinc/23/02/76/181230276.db2.gz DZKPHHMCRPGNLD-UHFFFAOYSA-N 0 0 321.852 3.504 50 0 DHAARN CC(=O)c1cccc(NC(=S)Nc2cccc(C(C)=O)c2)c1 ZINC000005498793 181250073 /nfs/dbraw/zinc/25/00/73/181250073.db2.gz QRWSNTGGHGUSLK-UHFFFAOYSA-N 0 0 312.394 3.901 50 0 DHAARN CC(C)Sc1nc2sc3c(c2c2ncnn21)C[C@@H](C)CC3 ZINC000005533379 181254645 /nfs/dbraw/zinc/25/46/45/181254645.db2.gz USJNXLVNUSYXGQ-VIFPVBQESA-N 0 0 318.471 3.964 50 0 DHAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1 ZINC000005545801 181255176 /nfs/dbraw/zinc/25/51/76/181255176.db2.gz GITSUFDWVXVRTK-CQSZACIVSA-N 0 0 307.397 3.672 50 0 DHAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)CCC1CCCC1 ZINC000005617278 181264111 /nfs/dbraw/zinc/26/41/11/181264111.db2.gz HBMYAAFBFYCYMQ-ZDUSSCGKSA-N 0 0 319.401 3.536 50 0 DHAARN CC[C@H](C(=O)Nc1ccc(N(C)C(C)=O)cc1)c1ccccc1 ZINC000005663667 181269304 /nfs/dbraw/zinc/26/93/04/181269304.db2.gz UYUMYVFDJJDBHM-SFHVURJKSA-N 0 0 310.397 3.802 50 0 DHAARN O=[S@](c1snnc1-c1ccc(F)cc1)C1CCCCC1 ZINC000005675719 181270760 /nfs/dbraw/zinc/27/07/60/181270760.db2.gz HGMBOPNVFQMMEJ-HXUWFJFHSA-N 0 0 310.419 3.785 50 0 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CN(C)c1ccc(CCNC(=O)c2cccc3ccccc32)cc1 ZINC000011693621 181699553 /nfs/dbraw/zinc/69/95/53/181699553.db2.gz DMGSYWACLWUDLM-UHFFFAOYSA-N 0 0 318.420 3.878 50 0 DHAARN CC[C@@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000011786327 181705656 /nfs/dbraw/zinc/70/56/56/181705656.db2.gz MHMXGGWKJSLKOG-RHSMWYFYSA-N 0 0 324.424 3.605 50 0 DHAARN CCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000012138505 181731224 /nfs/dbraw/zinc/73/12/24/181731224.db2.gz RITXJUOSKQMFRZ-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN Cc1cccc(CC(=O)OCc2cc(-c3cccs3)on2)c1 ZINC000012236726 181743202 /nfs/dbraw/zinc/74/32/02/181743202.db2.gz MDODHQOVHPMDAI-UHFFFAOYSA-N 0 0 313.378 3.997 50 0 DHAARN O=C(C1CCC1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000012027617 181724548 /nfs/dbraw/zinc/72/45/48/181724548.db2.gz WJOLPFQGPLWTHT-CQSZACIVSA-N 0 0 307.384 3.936 50 0 DHAARN COc1cccc(CC[C@H]2CCCN(C(=O)C3(C)CC3)C2)c1 ZINC000012314517 181749296 /nfs/dbraw/zinc/74/92/96/181749296.db2.gz DOEQZMIJNXGXHK-MRXNPFEDSA-N 0 0 301.430 3.667 50 0 DHAARN CC(C)(C)C(=O)Nc1ncccc1/C=C1\C(=O)Nc2ccccc21 ZINC000012368808 181752352 /nfs/dbraw/zinc/75/23/52/181752352.db2.gz GWPKWYHKRUGTPZ-KAMYIIQDSA-N 0 0 321.380 3.559 50 0 DHAARN O=C1C(=Cc2ccccc2Cl)NC(=S)N1c1ccccc1 ZINC000012376660 181753071 /nfs/dbraw/zinc/75/30/71/181753071.db2.gz AJAIMVRIXHLBQV-GXDHUFHOSA-N 0 0 314.797 3.602 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc1 ZINC000012536461 181773032 /nfs/dbraw/zinc/77/30/32/181773032.db2.gz SKZWUTRWTDIUSY-UHFFFAOYSA-N 0 0 316.360 3.873 50 0 DHAARN COc1ccc(C(=O)Cn2c3ccccc3nc2SC)cc1 ZINC000012560014 181776479 /nfs/dbraw/zinc/77/64/79/181776479.db2.gz JYVWXGLDNALUMW-UHFFFAOYSA-N 0 0 312.394 3.650 50 0 DHAARN Cc1cc(C(=O)CCC(=O)Nc2cc(C)ccn2)c(C)s1 ZINC000012536823 181772752 /nfs/dbraw/zinc/77/27/52/181772752.db2.gz WYDHLSIVKITELF-UHFFFAOYSA-N 0 0 302.399 3.670 50 0 DHAARN CC(=O)c1ccc(C(=O)N2CCO[C@H](CCCC(C)C)C2)s1 ZINC000012711002 181789120 /nfs/dbraw/zinc/78/91/20/181789120.db2.gz JPNGQMMQORFHLQ-CQSZACIVSA-N 0 0 323.458 3.618 50 0 DHAARN C[C@H](NC(=O)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000012748071 181792153 /nfs/dbraw/zinc/79/21/53/181792153.db2.gz CQIMVGLZRRVUDV-LBPRGKRZSA-N 0 0 316.351 3.794 50 0 DHAARN c1nn(-c2ccccc2)cc1CCNc1nc2ccccc2o1 ZINC000012763248 181794674 /nfs/dbraw/zinc/79/46/74/181794674.db2.gz GCTFICAFSNOIGS-UHFFFAOYSA-N 0 0 304.353 3.668 50 0 DHAARN COc1cccc(C(N)=O)c1OCc1cccc2ccccc21 ZINC000012876542 181806495 /nfs/dbraw/zinc/80/64/95/181806495.db2.gz SFCUBAXCMDBKRF-UHFFFAOYSA-N 0 0 307.349 3.526 50 0 DHAARN Cc1cnc(NC(=O)CCc2ncc(-c3ccccc3)o2)s1 ZINC000012817258 181801470 /nfs/dbraw/zinc/80/14/70/181801470.db2.gz OIKAKAXHIXEOIV-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccccc3C)cc12 ZINC000012974617 181817109 /nfs/dbraw/zinc/81/71/09/181817109.db2.gz REBHLRFUBIMJTH-NSHDSACASA-N 0 0 313.426 3.743 50 0 DHAARN CC[C@H](C)C(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 ZINC000012920118 181811879 /nfs/dbraw/zinc/81/18/79/181811879.db2.gz KFWKJEOSSACLAC-VIFPVBQESA-N 0 0 308.378 3.942 50 0 DHAARN CCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000012929908 181813075 /nfs/dbraw/zinc/81/30/75/181813075.db2.gz MZOFSBJIVICOQO-UHFFFAOYSA-N 0 0 305.809 3.789 50 0 DHAARN COC(=O)c1sccc1Oc1ccccc1NC(=O)C1CC1 ZINC000012950950 181814867 /nfs/dbraw/zinc/81/48/67/181814867.db2.gz PCNXMSGTDMZCFW-UHFFFAOYSA-N 0 0 317.366 3.676 50 0 DHAARN Cc1cccc(CNC(=O)c2ccc(F)cc2Br)c1 ZINC000013012385 181823331 /nfs/dbraw/zinc/82/33/31/181823331.db2.gz KNKHNQQBCWCWFV-UHFFFAOYSA-N 0 0 322.177 3.827 50 0 DHAARN O=C(COc1ccccc1Cl)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000013069586 181825829 /nfs/dbraw/zinc/82/58/29/181825829.db2.gz DRJYAMRSZYAQQX-KBPBESRZSA-N 0 0 307.821 3.758 50 0 DHAARN Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000013102095 181828633 /nfs/dbraw/zinc/82/86/33/181828633.db2.gz BVAUQWGJRDJXQD-GOSISDBHSA-N 0 0 324.424 3.697 50 0 DHAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc2[nH]cnc2c1 ZINC000013133623 181832240 /nfs/dbraw/zinc/83/22/40/181832240.db2.gz XBBSVRVHCXIBJP-UHFFFAOYSA-N 0 0 320.179 3.800 50 0 DHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1Br ZINC000013218513 181838430 /nfs/dbraw/zinc/83/84/30/181838430.db2.gz NPTZJKJXQYJHMW-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN CCCCNC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000013331396 181844664 /nfs/dbraw/zinc/84/46/64/181844664.db2.gz RBMCCAJJAZCUHR-UHFFFAOYSA-N 0 0 314.433 3.778 50 0 DHAARN Cc1cnc(NC(=O)C(C)(C)Oc2cc(C)cc(C)c2)s1 ZINC000013331829 181845585 /nfs/dbraw/zinc/84/55/85/181845585.db2.gz BBGYEYUOMFOOHK-UHFFFAOYSA-N 0 0 304.415 3.864 50 0 DHAARN C[C@@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000013615644 181868783 /nfs/dbraw/zinc/86/87/83/181868783.db2.gz RODREYUVBDOVGG-CALCHBBNSA-N 0 0 323.436 3.844 50 0 DHAARN Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1C ZINC000013679765 181878379 /nfs/dbraw/zinc/87/83/79/181878379.db2.gz VIIPRIKDXPJTDO-UHFFFAOYSA-N 0 0 324.424 3.623 50 0 DHAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc2cccnc21 ZINC000014075345 181923650 /nfs/dbraw/zinc/92/36/50/181923650.db2.gz ATXQGXXVBXGAJW-UHFFFAOYSA-N 0 0 322.339 3.976 50 0 DHAARN COc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000014239471 181941007 /nfs/dbraw/zinc/94/10/07/181941007.db2.gz MIELBIUDIDUCLK-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC1CCCC1 ZINC000014187354 181934725 /nfs/dbraw/zinc/93/47/25/181934725.db2.gz FRIOQWQRBMEBEA-UHFFFAOYSA-N 0 0 320.339 3.611 50 0 DHAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc[nH]c1=S ZINC000014189858 181934891 /nfs/dbraw/zinc/93/48/91/181934891.db2.gz MKTKQGNJCACXJT-UHFFFAOYSA-N 0 0 313.209 3.981 50 0 DHAARN COC(=O)c1ccc(Oc2ccc(N)c(C(F)(F)F)c2)cc1 ZINC000014630403 181962813 /nfs/dbraw/zinc/96/28/13/181962813.db2.gz UAIOFVNSAQFIAX-UHFFFAOYSA-N 0 0 311.259 3.867 50 0 DHAARN COc1cccc(-c2nc3ccc(C(=O)N(C)C(C)C)cc3o2)c1 ZINC000014965171 181978892 /nfs/dbraw/zinc/97/88/92/181978892.db2.gz KGHWJECJJKVLHN-UHFFFAOYSA-N 0 0 324.380 3.984 50 0 DHAARN Fc1cccc(-c2nnc3sc(/C=C/c4cccnc4)nn32)c1 ZINC000015107760 181989278 /nfs/dbraw/zinc/98/92/78/181989278.db2.gz HMNSNAFWXCOAES-VOTSOKGWSA-N 0 0 323.356 3.557 50 0 DHAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)[C@H](C)c1ccncn1 ZINC000015065271 181985593 /nfs/dbraw/zinc/98/55/93/181985593.db2.gz YKBPUIGZRBVMMT-CQSZACIVSA-N 0 0 323.396 3.981 50 0 DHAARN O=C(C[C@H](c1cccc(O)c1)c1ccccc1Cl)NC1CC1 ZINC000015067334 181986627 /nfs/dbraw/zinc/98/66/27/181986627.db2.gz HSUADIISQDMVSI-MRXNPFEDSA-N 0 0 315.800 3.846 50 0 DHAARN CCOc1ccc(NC(=O)[C@@H](C)n2nc(C)c3ccccc32)cc1 ZINC000015671619 182011159 /nfs/dbraw/zinc/01/11/59/182011159.db2.gz XGLYFXUFCBCZPG-CQSZACIVSA-N 0 0 323.396 3.943 50 0 DHAARN COc1cccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 ZINC000015670739 182011395 /nfs/dbraw/zinc/01/13/95/182011395.db2.gz CXYUDNLPLOLWSO-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN CCCc1nc(SC)ncc1C(=O)N[C@@H](C)c1ccccc1 ZINC000015681171 182012507 /nfs/dbraw/zinc/01/25/07/182012507.db2.gz NLICNOXRJFTEER-LBPRGKRZSA-N 0 0 315.442 3.642 50 0 DHAARN CCc1nnc2c3ccccc3nc(Nc3ccc(F)cc3)n12 ZINC000015728355 182013545 /nfs/dbraw/zinc/01/35/45/182013545.db2.gz FJRWNHDBKREBJE-UHFFFAOYSA-N 0 0 307.332 3.723 50 0 DHAARN CCCCN(CC)c1nc(C)nc2oc(C)c(C(=O)OCC)c21 ZINC000015727386 182013678 /nfs/dbraw/zinc/01/36/78/182013678.db2.gz YLNQFAIPEGSZTF-UHFFFAOYSA-N 0 0 319.405 3.643 50 0 DHAARN CC1CCC(Nc2c(=O)c(=O)c2-c2ccc3c(c2)CCCC3)CC1 ZINC000015728241 182013855 /nfs/dbraw/zinc/01/38/55/182013855.db2.gz OJLWXKGCVVWJIW-UHFFFAOYSA-N 0 0 323.436 3.819 50 0 DHAARN O=C(C[C@@H](c1ccc(F)cc1)n1cccc1)NCc1ccccc1 ZINC000015771113 182015456 /nfs/dbraw/zinc/01/54/56/182015456.db2.gz MTDMZOXFMJWLRI-IBGZPJMESA-N 0 0 322.383 3.923 50 0 DHAARN CCn1ncc(Cl)c1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000015835716 182020115 /nfs/dbraw/zinc/02/01/15/182020115.db2.gz ZYYPJYYGBCCNKK-LLVKDONJSA-N 0 0 309.822 3.595 50 0 DHAARN Cc1cc(C)n(-c2cc(C)nc3c(C)c(-c4ccccc4)nn32)n1 ZINC000015835618 182020587 /nfs/dbraw/zinc/02/05/87/182020587.db2.gz WTCUWUHQALDPPW-UHFFFAOYSA-N 0 0 317.396 3.816 50 0 DHAARN COc1ccc(NC(=O)COc2cccc(C)c2)c2cccnc12 ZINC000015840617 182021133 /nfs/dbraw/zinc/02/11/33/182021133.db2.gz ZEWRWHHRDZWOCX-UHFFFAOYSA-N 0 0 322.364 3.569 50 0 DHAARN COc1ccc(-c2cc(Nc3ccc(O)cc3)nc(C)n2)cc1 ZINC000015859143 182021478 /nfs/dbraw/zinc/02/14/78/182021478.db2.gz LLQQVFIDXWVMFK-UHFFFAOYSA-N 0 0 307.353 3.910 50 0 DHAARN COc1ccccc1C(=O)N1CCc2cc3ccc(C)cc3nc21 ZINC000015841928 182021853 /nfs/dbraw/zinc/02/18/53/182021853.db2.gz WUJDNCZTXMURAU-UHFFFAOYSA-N 0 0 318.376 3.755 50 0 DHAARN CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)cc1C ZINC000015860732 182022690 /nfs/dbraw/zinc/02/26/90/182022690.db2.gz TWXFPURQRJOYDB-MRXNPFEDSA-N 0 0 324.424 3.655 50 0 DHAARN Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nnnc3N2)cc1C ZINC000015866367 182022926 /nfs/dbraw/zinc/02/29/26/182022926.db2.gz VDIXLHZTZDCXCL-DLBZAZTESA-N 0 0 323.375 3.575 50 0 DHAARN COc1ccc(-c2ccc(CCC(=O)N3CCCCC3)o2)cc1 ZINC000015867459 182023341 /nfs/dbraw/zinc/02/33/41/182023341.db2.gz FHONOPHEKXTXFQ-UHFFFAOYSA-N 0 0 313.397 3.900 50 0 DHAARN Cc1cc(Nc2ccc(F)cc2C)n2nc(-c3ccco3)nc2n1 ZINC000015780359 182016505 /nfs/dbraw/zinc/01/65/05/182016505.db2.gz YBACYSHTZKCJRW-UHFFFAOYSA-N 0 0 323.331 3.884 50 0 DHAARN COc1ccc(-c2ocnc2C(=O)Nc2ccccc2F)cc1 ZINC000015782145 182016789 /nfs/dbraw/zinc/01/67/89/182016789.db2.gz ZUANNFSVBSESGI-UHFFFAOYSA-N 0 0 312.300 3.742 50 0 DHAARN O=C(Nc1ccc(Cl)cc1F)c1cc(=O)[nH]c2ccccc21 ZINC000016046584 182030163 /nfs/dbraw/zinc/03/01/63/182030163.db2.gz GSJKVAYMEGWYAL-UHFFFAOYSA-N 0 0 316.719 3.573 50 0 DHAARN COc1cccc(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000016030008 182030610 /nfs/dbraw/zinc/03/06/10/182030610.db2.gz PDCRHUYNTOHWPE-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN FC(F)(F)c1cnc(Br)c(Br)c1 ZINC000016159023 182035817 /nfs/dbraw/zinc/03/58/17/182035817.db2.gz BIDFUURRDIAINQ-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN C[C@@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C[C@H](C)O1 ZINC000016551712 182049229 /nfs/dbraw/zinc/04/92/29/182049229.db2.gz OVLKUSWBFCKOFN-NRRSTHCMSA-N 0 0 305.462 3.619 50 0 DHAARN CCCn1nnnc1NCc1ccc(-c2ccccc2Cl)o1 ZINC000016577968 182049910 /nfs/dbraw/zinc/04/99/10/182049910.db2.gz VSITXKYMEZYEPF-UHFFFAOYSA-N 0 0 317.780 3.609 50 0 DHAARN CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(C)cc1 ZINC000016602669 182051661 /nfs/dbraw/zinc/05/16/61/182051661.db2.gz WJDDBURLCBIBHC-MRXNPFEDSA-N 0 0 311.381 3.647 50 0 DHAARN Cc1sc(NC(=O)[C@@H]2CCCO2)nc1-c1cccc(Cl)c1 ZINC000016602719 182051957 /nfs/dbraw/zinc/05/19/57/182051957.db2.gz XHZKESKHUYFUIS-LBPRGKRZSA-N 0 0 322.817 3.889 50 0 DHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C ZINC000016605267 182053278 /nfs/dbraw/zinc/05/32/78/182053278.db2.gz GFFXDPGMJSXOER-LBPRGKRZSA-N 0 0 304.777 3.758 50 0 DHAARN Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)cc1 ZINC000016624959 182054022 /nfs/dbraw/zinc/05/40/22/182054022.db2.gz FAZZZPZDVUJJCI-UHFFFAOYSA-N 0 0 318.380 3.705 50 0 DHAARN Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)c(C)c1C ZINC000016780175 182060971 /nfs/dbraw/zinc/06/09/71/182060971.db2.gz INRQGXULTQRXKN-UHFFFAOYSA-N 0 0 309.475 3.873 50 0 DHAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2)n1 ZINC000016806518 182061375 /nfs/dbraw/zinc/06/13/75/182061375.db2.gz DMFBTSKFWOIUMI-UHFFFAOYSA-N 0 0 307.806 3.803 50 0 DHAARN CCCc1sc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CC ZINC000016680337 182057462 /nfs/dbraw/zinc/05/74/62/182057462.db2.gz JSIIRKYNYLUOTO-UHFFFAOYSA-N 0 0 316.426 3.614 50 0 DHAARN Cc1ccc(C)c([C@@H](C)N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000016685064 182057551 /nfs/dbraw/zinc/05/75/51/182057551.db2.gz LTICJNMBNYTNKW-HUUCEWRRSA-N 0 0 321.424 3.952 50 0 DHAARN CC(C)CCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 ZINC000016939718 182065225 /nfs/dbraw/zinc/06/52/25/182065225.db2.gz UFAUDKDJIHIVTN-UHFFFAOYSA-N 0 0 315.442 3.787 50 0 DHAARN Cc1ccc(C(=O)NCC2(c3ccc(C)cc3)CCOCC2)cc1 ZINC000016971111 182067211 /nfs/dbraw/zinc/06/72/11/182067211.db2.gz GTRYFOPGKAJHSF-UHFFFAOYSA-N 0 0 323.436 3.782 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(N)cc2)cc1 ZINC000017052758 182071578 /nfs/dbraw/zinc/07/15/78/182071578.db2.gz FQGGCNOLUHUXBQ-LBPRGKRZSA-N 0 0 314.410 3.591 50 0 DHAARN S=C1N=NC(c2csc3c2CCCC3)N1Cc1ccco1 ZINC000017054412 182072308 /nfs/dbraw/zinc/07/23/08/182072308.db2.gz 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CCC(CC)N(C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000040151511 183040008 /nfs/dbraw/zinc/04/00/08/183040008.db2.gz DEMRLJSIBRYQBE-UHFFFAOYSA-N 0 0 307.459 3.517 50 0 DHAARN O=C(Nc1nncs1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000040150507 183040096 /nfs/dbraw/zinc/04/00/96/183040096.db2.gz YPHLNPKDDNCWJM-ZDUSSCGKSA-N 0 0 302.403 3.591 50 0 DHAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2N(C)C ZINC000040216998 183046533 /nfs/dbraw/zinc/04/65/33/183046533.db2.gz ANIKSYKTPVDOGZ-UHFFFAOYSA-N 0 0 300.793 3.733 50 0 DHAARN Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000040096950 183034087 /nfs/dbraw/zinc/03/40/87/183034087.db2.gz XWOKOLMKUSOBSE-SFHVURJKSA-N 0 0 312.413 3.974 50 0 DHAARN COc1ccc(NC(=O)NCc2ccccc2Cl)cc1OC ZINC000040097649 183034106 /nfs/dbraw/zinc/03/41/06/183034106.db2.gz WVOFOFWAIOAXIQ-UHFFFAOYSA-N 0 0 320.776 3.679 50 0 DHAARN COc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000040103468 183034852 /nfs/dbraw/zinc/03/48/52/183034852.db2.gz CONHETOMZHDSKO-WCQYABFASA-N 0 0 306.406 3.712 50 0 DHAARN O=C(Nc1cccc(-n2cccn2)c1)c1ccc2ccccc2n1 ZINC000040105379 183035573 /nfs/dbraw/zinc/03/55/73/183035573.db2.gz VARAQHUQRZCSKT-UHFFFAOYSA-N 0 0 314.348 3.673 50 0 DHAARN COc1ccc(CC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000040111385 183037390 /nfs/dbraw/zinc/03/73/90/183037390.db2.gz VLFYNSVFVMVMPA-UHFFFAOYSA-N 0 0 314.366 3.593 50 0 DHAARN Cc1ccc(CNC(=O)NCc2ncc(-c3ccccc3)o2)cc1 ZINC000040119885 183037545 /nfs/dbraw/zinc/03/75/45/183037545.db2.gz WTYGJRLHMDHZBY-UHFFFAOYSA-N 0 0 321.380 3.649 50 0 DHAARN CCCCOc1ccc(CCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000040122373 183038309 /nfs/dbraw/zinc/03/83/09/183038309.db2.gz YNOOMTCQJWCOPI-KRWDZBQOSA-N 0 0 301.430 3.881 50 0 DHAARN CCCCOc1ccc(CCNC(=O)C[C@H]2C=CCC2)cc1 ZINC000040122369 183038458 /nfs/dbraw/zinc/03/84/58/183038458.db2.gz CPOYSYARBDRHRD-KRWDZBQOSA-N 0 0 301.430 3.881 50 0 DHAARN Cc1ccsc1C(=O)NCCCCOc1ccc(C)cc1 ZINC000040122455 183038817 /nfs/dbraw/zinc/03/88/17/183038817.db2.gz OJSRGXNZGICMQS-UHFFFAOYSA-N 0 0 303.427 3.954 50 0 DHAARN CC(C)c1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000040144034 183039067 /nfs/dbraw/zinc/03/90/67/183039067.db2.gz JWSPTPFXSNVAEM-BDAKNGLRSA-N 0 0 321.368 3.969 50 0 DHAARN O=C(Nc1ccc(F)cc1)N(Cc1cccc(O)c1)C1CC1 ZINC000040135581 183039069 /nfs/dbraw/zinc/03/90/69/183039069.db2.gz YVZOEESLVFOZJB-UHFFFAOYSA-N 0 0 300.333 3.728 50 0 DHAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000040135197 183039361 /nfs/dbraw/zinc/03/93/61/183039361.db2.gz RTBWVWHQKHKTTF-STQMWFEESA-N 0 0 303.450 3.634 50 0 DHAARN CCCc1nnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000040141366 183039425 /nfs/dbraw/zinc/03/94/25/183039425.db2.gz WZKULMMIXMFADF-DTWKUNHWSA-N 0 0 321.368 3.798 50 0 DHAARN COC(=O)c1cc(N)ccc1Oc1cccc(C(F)(F)F)c1 ZINC000040449051 183068638 /nfs/dbraw/zinc/06/86/38/183068638.db2.gz BMMQGMNOLJNMQD-UHFFFAOYSA-N 0 0 311.259 3.867 50 0 DHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCCC2)c1 ZINC000040473010 183074245 /nfs/dbraw/zinc/07/42/45/183074245.db2.gz KINLUBRKLJSCTD-INIZCTEOSA-N 0 0 303.402 3.558 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478381 183076143 /nfs/dbraw/zinc/07/61/43/183076143.db2.gz SLAQTPFXTIDTHT-LBPRGKRZSA-N 0 0 321.355 3.807 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)cc1OC ZINC000040487953 183078258 /nfs/dbraw/zinc/07/82/58/183078258.db2.gz NERYXMVZVCBGIF-HOCLYGCPSA-N 0 0 315.413 3.724 50 0 DHAARN CC(C)c1noc([C@@H](C)Sc2n[nH]c(-c3ccccc3)n2)n1 ZINC000040496513 183081344 /nfs/dbraw/zinc/08/13/44/183081344.db2.gz JTPKRFBVSHJXRJ-SNVBAGLBSA-N 0 0 315.402 3.831 50 0 DHAARN Cc1nc2cc(N[C@@H](C)c3nc(C(C)(C)C)no3)ccc2o1 ZINC000040511393 183087491 /nfs/dbraw/zinc/08/74/91/183087491.db2.gz HKRQQJJPLBRNJZ-VIFPVBQESA-N 0 0 300.362 3.990 50 0 DHAARN Cc1cc(C(=O)Nc2ccccc2F)c(C)n1-c1nccs1 ZINC000040516566 183089636 /nfs/dbraw/zinc/08/96/36/183089636.db2.gz MRRQBFXLCQIEJE-UHFFFAOYSA-N 0 0 315.373 3.942 50 0 DHAARN COC(=O)c1ccc(CSc2nnc(C3CCCCC3)o2)o1 ZINC000040456936 183068971 /nfs/dbraw/zinc/06/89/71/183068971.db2.gz CXQQUOHLCYSMCX-UHFFFAOYSA-N 0 0 322.386 3.789 50 0 DHAARN CCCCc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)o2)n1 ZINC000040714906 183122376 /nfs/dbraw/zinc/12/23/76/183122376.db2.gz PSFKJJWWHBMGQE-ZDUSSCGKSA-N 0 0 317.389 3.681 50 0 DHAARN Cc1cccc(OCCNC(=O)c2ccccc2Cl)c1C ZINC000041156531 183179218 /nfs/dbraw/zinc/17/92/18/183179218.db2.gz RPAAIXFDLGACGN-UHFFFAOYSA-N 0 0 303.789 3.766 50 0 DHAARN CC[C@H](C)c1noc(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000041122045 183167606 /nfs/dbraw/zinc/16/76/06/183167606.db2.gz WIWLNNNYPNRYDJ-NSHDSACASA-N 0 0 319.430 3.664 50 0 DHAARN CCc1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041122746 183168193 /nfs/dbraw/zinc/16/81/93/183168193.db2.gz RCMNOFYASQAPAQ-AWEZNQCLSA-N 0 0 305.422 3.656 50 0 DHAARN CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000041123389 183168200 /nfs/dbraw/zinc/16/82/00/183168200.db2.gz OZEMYEUYJLZZHN-JSGCOSHPSA-N 0 0 305.422 3.827 50 0 DHAARN CCCc1noc([C@@H]2CCCCN2C(=O)NC2CCCCC2)n1 ZINC000041122778 183168217 /nfs/dbraw/zinc/16/82/17/183168217.db2.gz OXJDDJYCGGTNHR-AWEZNQCLSA-N 0 0 320.437 3.591 50 0 DHAARN COc1ccc(C(=O)c2ccccc2)cc1NC(=O)CC(C)C ZINC000041365876 183186548 /nfs/dbraw/zinc/18/65/48/183186548.db2.gz ZWABVYDNHVOAOI-UHFFFAOYSA-N 0 0 311.381 3.911 50 0 DHAARN Cc1nn(Cc2ncc(C(C)(C)C)o2)c(C)c1Br ZINC000041367486 183187409 /nfs/dbraw/zinc/18/74/09/183187409.db2.gz ZOYQCRRPHYSTCC-UHFFFAOYSA-N 0 0 312.211 3.596 50 0 DHAARN CCc1ccc(NC(=O)CCNc2ncnc3ccccc32)cc1 ZINC000041504423 183194534 /nfs/dbraw/zinc/19/45/34/183194534.db2.gz JOGOUQRGYDOSAQ-UHFFFAOYSA-N 0 0 320.396 3.633 50 0 DHAARN CC(C)CO[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000042404529 183264370 /nfs/dbraw/zinc/26/43/70/183264370.db2.gz NGQCWBBZVZDMET-ZDUSSCGKSA-N 0 0 320.433 3.671 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)no1 ZINC000042673752 183295363 /nfs/dbraw/zinc/29/53/63/183295363.db2.gz PAXFHIDOHSYUBC-SSDOTTSWSA-N 0 0 317.147 3.920 50 0 DHAARN O=C(Nc1nccs1)N[C@H]1CCSc2ccc(F)cc21 ZINC000042754919 183305472 /nfs/dbraw/zinc/30/54/72/183305472.db2.gz GXNQUXRVVUHNSP-JTQLQIEISA-N 0 0 309.391 3.641 50 0 DHAARN COc1ccc(OC)c([C@@H](C)NCc2cnn(C(C)(C)C)c2)c1 ZINC000042949449 183320323 /nfs/dbraw/zinc/32/03/23/183320323.db2.gz NEUSHZBHATUPHZ-CYBMUJFWSA-N 0 0 317.433 3.506 50 0 DHAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)c[nH]1 ZINC000043117135 183339029 /nfs/dbraw/zinc/33/90/29/183339029.db2.gz FMLDVRRFSVFCDN-UHFFFAOYSA-N 0 0 316.710 3.959 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccs2)on1 ZINC000043290568 183351550 /nfs/dbraw/zinc/35/15/50/183351550.db2.gz SZKSAOQFFATBIF-NWDGAFQWSA-N 0 0 305.403 3.652 50 0 DHAARN C[C@H](c1ccccc1)N(C)C(=O)Nc1nnc(C2CC2)s1 ZINC000043359420 183357077 /nfs/dbraw/zinc/35/70/77/183357077.db2.gz NGJHLUNCWRFFTK-SNVBAGLBSA-N 0 0 302.403 3.640 50 0 DHAARN O=C(NCc1ccc(F)cc1)Nc1ccccc1N1CCCC1 ZINC000043486034 183366300 /nfs/dbraw/zinc/36/63/00/183366300.db2.gz DBINEAUHFUCCCW-UHFFFAOYSA-N 0 0 313.376 3.748 50 0 DHAARN CCOc1ccc(-c2nc(C)c(C(=O)NC(C)C)s2)cc1 ZINC000043802476 183386698 /nfs/dbraw/zinc/38/66/98/183386698.db2.gz HINXTSLMMQWNRY-UHFFFAOYSA-N 0 0 304.415 3.655 50 0 DHAARN Nc1ccc([S@@](=O)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000043827954 183387352 /nfs/dbraw/zinc/38/73/52/183387352.db2.gz YAOSSDBUIGFYHS-FQEVSTJZSA-N 0 0 320.723 3.503 50 0 DHAARN Cc1c(C(=O)OCc2ccc(Cl)s2)[nH]c2c1C(=O)CCC2 ZINC000043940342 183389999 /nfs/dbraw/zinc/38/99/99/183389999.db2.gz WHLQQFDFWRMCLA-UHFFFAOYSA-N 0 0 323.801 3.914 50 0 DHAARN O=C([C@@H]1CC=CCC1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000044575979 183423702 /nfs/dbraw/zinc/42/37/02/183423702.db2.gz AQKNWULUHFPSAB-IEBWSBKVSA-N 0 0 306.409 3.776 50 0 DHAARN CCc1nc(NC(=O)CCc2ccc(OC)c(F)c2)sc1C ZINC000044701961 183433787 /nfs/dbraw/zinc/43/37/87/183433787.db2.gz HCJNPHAXMRPIGI-UHFFFAOYSA-N 0 0 322.405 3.733 50 0 DHAARN Cc1nn(CC(=O)Nc2ccccc2)c(C)c1Cc1ccccc1 ZINC000044803133 183439771 /nfs/dbraw/zinc/43/97/71/183439771.db2.gz VSUHUHRJOVIXJZ-UHFFFAOYSA-N 0 0 319.408 3.729 50 0 DHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2C1 ZINC000102592355 193898096 /nfs/dbraw/zinc/89/80/96/193898096.db2.gz BTTQZUYLTAOLGJ-KXUCPTDWSA-N 0 0 312.196 3.919 50 0 DHAARN COc1ccc([C@@H]2CCCCCN2C(=O)NCC2CC2)cc1 ZINC000045459665 183509536 /nfs/dbraw/zinc/50/95/36/183509536.db2.gz QXPYGGYUUMZNAT-KRWDZBQOSA-N 0 0 302.418 3.732 50 0 DHAARN O=C(NCC1CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000045458966 183509717 /nfs/dbraw/zinc/50/97/17/183509717.db2.gz ADVPPCDDTRTBPQ-LJQANCHMSA-N 0 0 306.409 3.754 50 0 DHAARN Cc1cc2cc(NC(=O)c3cc(C)nc4onc(C)c43)ccc2[nH]1 ZINC000046059259 183547312 /nfs/dbraw/zinc/54/73/12/183547312.db2.gz SRHDHLHMHBUJNE-UHFFFAOYSA-N 0 0 320.352 3.882 50 0 DHAARN Cc1cc(C)n(CCCNC(=O)CCCC2CCCCC2)n1 ZINC000046866786 183570981 /nfs/dbraw/zinc/57/09/81/183570981.db2.gz PTZIYZNVSLNBML-UHFFFAOYSA-N 0 0 305.466 3.757 50 0 DHAARN CCC[C@@H](C(=O)NCCCn1nc(C)cc1C)c1ccccc1 ZINC000046866870 183571344 /nfs/dbraw/zinc/57/13/44/183571344.db2.gz CDXLROVJYRQOAO-GOSISDBHSA-N 0 0 313.445 3.590 50 0 DHAARN C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000105601828 194114041 /nfs/dbraw/zinc/11/40/41/194114041.db2.gz UOUSFOZEGXXNBT-XJKCOSOUSA-N 0 0 321.392 3.912 50 0 DHAARN O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccc[nH]1 ZINC000047274826 183586172 /nfs/dbraw/zinc/58/61/72/183586172.db2.gz CCICGRMONJTGQM-ZDUSSCGKSA-N 0 0 312.398 3.993 50 0 DHAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000048065929 183618929 /nfs/dbraw/zinc/61/89/29/183618929.db2.gz IEMXTBCWPCASPR-FMIVXFBMSA-N 0 0 316.401 3.671 50 0 DHAARN O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1C[C@H]1c1ccco1 ZINC000106631285 194239567 /nfs/dbraw/zinc/23/95/67/194239567.db2.gz UMGYCEPRKDSVPE-YRGRVCCFSA-N 0 0 317.772 3.677 50 0 DHAARN COc1ccccc1[C@@H]1C[C@@H]1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000106646085 194240136 /nfs/dbraw/zinc/24/01/36/194240136.db2.gz WRXPJKHUUYWFJK-SNPRPXQTSA-N 0 0 314.385 3.513 50 0 DHAARN CC(C)Oc1ccccc1[C@H](C)NC(=O)COc1ccccc1 ZINC000048364179 183651280 /nfs/dbraw/zinc/65/12/80/183651280.db2.gz 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Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000058181130 184085540 /nfs/dbraw/zinc/08/55/40/184085540.db2.gz HNJKDCVIIWSEQA-GOSISDBHSA-N 0 0 311.425 3.773 50 0 DHAARN Cc1nc(-c2ccccc2)n(CN(Cc2cccs2)C2CC2)n1 ZINC000058192585 184086719 /nfs/dbraw/zinc/08/67/19/184086719.db2.gz IOKWEIIPYUECQL-UHFFFAOYSA-N 0 0 324.453 3.937 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 ZINC000058201461 184087198 /nfs/dbraw/zinc/08/71/98/184087198.db2.gz GBXYMGGFPPXWKM-UHFFFAOYSA-N 0 0 321.380 3.779 50 0 DHAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc(C)cn1 ZINC000058227735 184090994 /nfs/dbraw/zinc/09/09/94/184090994.db2.gz AMTWFYFNXYKISU-FUHWJXTLSA-N 0 0 309.413 3.583 50 0 DHAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(OC)nc1 ZINC000058135524 184079941 /nfs/dbraw/zinc/07/99/41/184079941.db2.gz QQRCUEFGHMNYGO-ROUUACIJSA-N 0 0 324.424 3.889 50 0 DHAARN Cc1cc(C)n(Cc2cccc(C(=O)N(C)C3CCCC3)c2)n1 ZINC000058344060 184107437 /nfs/dbraw/zinc/10/74/37/184107437.db2.gz BNRZUTYFOIJOCL-UHFFFAOYSA-N 0 0 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184145133 /nfs/dbraw/zinc/14/51/33/184145133.db2.gz HAYGEPOVRHXBTJ-UHFFFAOYSA-N 0 0 318.785 3.628 50 0 DHAARN Cc1cc(C)cc(NS(=O)(=O)Cc2ccccc2Cl)c1 ZINC000059291670 184136360 /nfs/dbraw/zinc/13/63/60/184136360.db2.gz XRRMRKIKKJFIKC-UHFFFAOYSA-N 0 0 309.818 3.899 50 0 DHAARN CN(C)C(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000059742708 184140394 /nfs/dbraw/zinc/14/03/94/184140394.db2.gz DDUOHGXWCLOILO-UHFFFAOYSA-N 0 0 320.801 3.840 50 0 DHAARN COc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000060205365 184144966 /nfs/dbraw/zinc/14/49/66/184144966.db2.gz VFCBIXJWXARGJZ-INIZCTEOSA-N 0 0 310.397 3.633 50 0 DHAARN CC(C)c1cc(C(=O)Nc2cccnc2)n(-c2ccccc2)n1 ZINC000061718608 184185482 /nfs/dbraw/zinc/18/54/82/184185482.db2.gz KQXJAILVUHUYDG-UHFFFAOYSA-N 0 0 306.369 3.643 50 0 DHAARN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H](C)CCCC(C)C)c12 ZINC000061722008 184185990 /nfs/dbraw/zinc/18/59/90/184185990.db2.gz RKAVKTZNWKBXCZ-LBPRGKRZSA-N 0 0 316.449 3.530 50 0 DHAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@H]3C)c2)n1 ZINC000063451521 184282368 /nfs/dbraw/zinc/28/23/68/184282368.db2.gz JRIARLIWYWRDRU-OAHLLOKOSA-N 0 0 311.429 3.563 50 0 DHAARN c1ccc2c(c1)ccc1c2[C@@H]2N[C@@H](c3cccnc3)OC[C@H]2CO1 ZINC000063110708 184271168 /nfs/dbraw/zinc/27/11/68/184271168.db2.gz CVTVSDQCGJDMLX-CDHQVMDDSA-N 0 0 318.376 3.603 50 0 DHAARN O=C(Nc1ccnn1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000064382924 184295818 /nfs/dbraw/zinc/29/58/18/184295818.db2.gz NFHRQWZNSDPLLI-UHFFFAOYSA-N 0 0 311.385 3.671 50 0 DHAARN CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1 ZINC000064378787 184296134 /nfs/dbraw/zinc/29/61/34/184296134.db2.gz YEHLJJOUXIVFBE-UHFFFAOYSA-N 0 0 310.397 3.815 50 0 DHAARN CCc1ccc(Nc2c3c(nc4nc(C)nn42)CCCC3)cc1 ZINC000064449798 184297570 /nfs/dbraw/zinc/29/75/70/184297570.db2.gz LIZZMAVNDMQOMX-UHFFFAOYSA-N 0 0 307.401 3.618 50 0 DHAARN Cc1onc(-c2ccccn2)c1C(=O)NC[C@@H](C)c1ccccc1 ZINC000064472192 184298192 /nfs/dbraw/zinc/29/81/92/184298192.db2.gz HDCUIHYYGZRDLD-CYBMUJFWSA-N 0 0 321.380 3.579 50 0 DHAARN CC(=O)NCc1ccc(-c2csc(NCC3CCC3)n2)s1 ZINC000063630318 184286346 /nfs/dbraw/zinc/28/63/46/184286346.db2.gz OKQWICAVDJVMPW-UHFFFAOYSA-N 0 0 321.471 3.720 50 0 DHAARN O=C(Nc1cccc2ccccc21)N1CCC(c2ncc[nH]2)CC1 ZINC000063990978 184291355 /nfs/dbraw/zinc/29/13/55/184291355.db2.gz DVJZDAIGYGWXDO-UHFFFAOYSA-N 0 0 320.396 3.974 50 0 DHAARN O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nccs2)cc1 ZINC000065090305 184310139 /nfs/dbraw/zinc/31/01/39/184310139.db2.gz LOKBXKFLOCYTNI-UHFFFAOYSA-N 0 0 320.373 3.606 50 0 DHAARN COc1ccc(Oc2nc3ccc(C)cc3n3c(C)nnc23)cc1 ZINC000065096495 184310655 /nfs/dbraw/zinc/31/06/55/184310655.db2.gz FZHIRIGQUQVAPD-UHFFFAOYSA-N 0 0 320.352 3.695 50 0 DHAARN Cc1nc2cc(-c3noc(-c4ccc5c(c4)OCO5)n3)ccc2o1 ZINC000065149598 184311501 /nfs/dbraw/zinc/31/15/01/184311501.db2.gz ORRZOUUEBYYCNL-UHFFFAOYSA-N 0 0 321.292 3.582 50 0 DHAARN Cn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1)CC2 ZINC000065148869 184311618 /nfs/dbraw/zinc/31/16/18/184311618.db2.gz WQKXPCVPWIKCTQ-UHFFFAOYSA-N 0 0 305.381 3.769 50 0 DHAARN O=C(CC1CCCC1)Nc1ccc2ncnc(N3CCCC3)c2c1 ZINC000065149068 184311705 /nfs/dbraw/zinc/31/17/05/184311705.db2.gz BPKKOJLLKVBQMQ-UHFFFAOYSA-N 0 0 324.428 3.749 50 0 DHAARN Cc1ccccc1CC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000065148802 184311732 /nfs/dbraw/zinc/31/17/32/184311732.db2.gz DIEWQMNUNPCHHT-UHFFFAOYSA-N 0 0 318.420 3.614 50 0 DHAARN Cc1cccc(C(=O)N2CCc3cn(C)c4cccc(c34)C2)c1 ZINC000065148811 184311760 /nfs/dbraw/zinc/31/17/60/184311760.db2.gz ZWNKPICEPUTRSF-UHFFFAOYSA-N 0 0 304.393 3.685 50 0 DHAARN Cc1nnc(-c2cc(NC(=O)c3cccc(F)c3)c(C)s2)o1 ZINC000065149234 184311811 /nfs/dbraw/zinc/31/18/11/184311811.db2.gz KNFMCMJFYZBYAI-UHFFFAOYSA-N 0 0 317.345 3.806 50 0 DHAARN CCCNC(=O)c1cccc(-c2nc3cccnc3n2C(C)C)c1 ZINC000065172714 184313667 /nfs/dbraw/zinc/31/36/67/184313667.db2.gz ANLXWKFZZJYYJN-UHFFFAOYSA-N 0 0 322.412 3.819 50 0 DHAARN O=C1COc2ccc(Cl)cc2CN1CCCc1ccccc1 ZINC000065184400 184314042 /nfs/dbraw/zinc/31/40/42/184314042.db2.gz BKGZDCRLHWOZEG-UHFFFAOYSA-N 0 0 315.800 3.694 50 0 DHAARN 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Cc1cc(S(=O)(=O)N2c3ccccc3CC[C@H]2C)c(C)s1 ZINC000021890007 134653496 /nfs/dbraw/zinc/65/34/96/134653496.db2.gz KCRYMCWFJLWTKX-LLVKDONJSA-N 0 0 321.467 3.895 50 0 DHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOc2ccccc21 ZINC000036763830 134696818 /nfs/dbraw/zinc/69/68/18/134696818.db2.gz BQIYJDYMEVQPTK-LBPRGKRZSA-N 0 0 317.772 3.533 50 0 DHAARN C[C@@]1(C(=O)N2CCCc3cc(F)ccc32)CC1(Cl)Cl ZINC000058087450 134792056 /nfs/dbraw/zinc/79/20/56/134792056.db2.gz WBOKXVOIMZQRIS-ZDUSSCGKSA-N 0 0 302.176 3.689 50 0 DHAARN O=C(COc1ccc(Cl)cc1)N1CCCc2ccc(F)cc21 ZINC000059017373 134798013 /nfs/dbraw/zinc/79/80/13/134798013.db2.gz LNBGLYYAXNTMOV-UHFFFAOYSA-N 0 0 319.763 3.837 50 0 DHAARN CC(C)Cn1cc(C(F)F)c(C(=O)OCc2ccccc2)n1 ZINC000134451317 196393321 /nfs/dbraw/zinc/39/33/21/196393321.db2.gz OAXKHLJCFMGKSG-UHFFFAOYSA-N 0 0 308.328 3.834 50 0 DHAARN Cc1cc(C)n(-c2ccccc2NC(=O)N2CC=C[C@H]2C(C)C)n1 ZINC000299776760 229428124 /nfs/dbraw/zinc/42/81/24/229428124.db2.gz LKTNZTKKARPEHL-KRWDZBQOSA-N 0 0 324.428 3.917 50 0 DHAARN Cc1nc2cccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2[nH]1 ZINC000299780584 229432938 /nfs/dbraw/zinc/43/29/38/229432938.db2.gz BVFSTCGIGDMSQL-BFUOFWGJSA-N 0 0 311.429 3.912 50 0 DHAARN CC(=O)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000002838047 262532478 /nfs/dbraw/zinc/53/24/78/262532478.db2.gz WRCFBYSERQXWOK-UHFFFAOYSA-N 0 0 303.358 3.759 50 0 DHAARN Fc1ccc(-c2ccc(NCC[C@H]3CCCOC3)nn2)cc1 ZINC000534670921 430161930 /nfs/dbraw/zinc/16/19/30/430161930.db2.gz IPEANOAOBKIEPY-CYBMUJFWSA-N 0 0 301.365 3.511 50 0 DHAARN Fc1ccc(/C=C\CNc2nnc(-c3ccncc3)o2)c(F)c1 ZINC000606443291 430554236 /nfs/dbraw/zinc/55/42/36/430554236.db2.gz IHYKDMOYUWDTII-UPHRSURJSA-N 0 0 314.295 3.535 50 0 DHAARN COc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1OC ZINC000000450821 331462650 /nfs/dbraw/zinc/46/26/50/331462650.db2.gz DOTKEAQOXOTQMS-NSHDSACASA-N 0 0 319.788 3.848 50 0 DHAARN COc1ccc(OC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000000463678 331462854 /nfs/dbraw/zinc/46/28/54/331462854.db2.gz ABNXXEVGFDJIDO-AWEZNQCLSA-N 0 0 300.354 3.685 50 0 DHAARN CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000000464087 331463078 /nfs/dbraw/zinc/46/30/78/331463078.db2.gz RTHPKPWBJFWRAY-UHFFFAOYSA-N 0 0 311.790 3.540 50 0 DHAARN Cc1c2cc(C)ccc2oc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000617410 331463908 /nfs/dbraw/zinc/46/39/08/331463908.db2.gz BHQANQKXHBAXHP-UHFFFAOYSA-N 0 0 323.348 3.708 50 0 DHAARN COc1cccc(COc2ccc3c(C)cc(=O)oc3c2C)c1 ZINC000000617487 331464169 /nfs/dbraw/zinc/46/41/69/331464169.db2.gz KCLWYFKBEZHTCD-UHFFFAOYSA-N 0 0 310.349 3.997 50 0 biogenic DHAARN Cc1ccc(S[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000001065839 331465300 /nfs/dbraw/zinc/46/53/00/331465300.db2.gz AOKWHNMSACHSFZ-CYBMUJFWSA-N 0 0 303.402 3.931 50 0 DHAARN CC[C@H]1CCCCN1C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000026997032 331604580 /nfs/dbraw/zinc/60/45/80/331604580.db2.gz SKABYDKMSIWIAL-KRWDZBQOSA-N 0 0 311.429 3.894 50 0 DHAARN C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1cnc2ccccc2n1 ZINC000033235252 331640755 /nfs/dbraw/zinc/64/07/55/331640755.db2.gz UGGBBVUCZHMEEG-LXKVQUBZSA-N 0 0 323.421 3.924 50 0 DHAARN CCNC(=O)c1cc(NCc2ccccc2C)nc2ccccc21 ZINC000097165698 332193786 /nfs/dbraw/zinc/19/37/86/332193786.db2.gz GRPNRXLAFYEKPO-UHFFFAOYSA-N 0 0 319.408 3.905 50 0 DHAARN O=S(=O)(Nc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000007053599 333002663 /nfs/dbraw/zinc/00/26/63/333002663.db2.gz XZSNFLNTURUKRC-UHFFFAOYSA-N 0 0 301.342 3.780 50 0 DHAARN O=C(CCC1CCCCC1)N1CCN(Cc2ccccc2)CC1 ZINC000019732160 333280930 /nfs/dbraw/zinc/28/09/30/333280930.db2.gz UYWSCQHSZACZBP-UHFFFAOYSA-N 0 0 314.473 3.691 50 0 DHAARN Cc1cc(Br)ccc1C(=O)NCc1ccccc1 ZINC000048169456 333572779 /nfs/dbraw/zinc/57/27/79/333572779.db2.gz DNJKESWTFXEZDK-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN OC1(c2ccccc2)CCN(c2ccc3ccccc3n2)CC1 ZINC000274234840 334057701 /nfs/dbraw/zinc/05/77/01/334057701.db2.gz FWIWQUWPAZXJRB-UHFFFAOYSA-N 0 0 304.393 3.723 50 0 DHAARN CCCc1nc(CNC(=O)c2ccc(C)n2C(F)F)cs1 ZINC000534591506 334294496 /nfs/dbraw/zinc/29/44/96/334294496.db2.gz IOQLJMXBLMXCHJ-UHFFFAOYSA-N 0 0 313.373 3.531 50 0 DHAARN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1nc(C(C)=O)cs1 ZINC000331302705 334856024 /nfs/dbraw/zinc/85/60/24/334856024.db2.gz XMJAPBYGDSXXQW-QKCSRTOESA-N 0 0 324.446 3.658 50 0 DHAARN COc1cc(C(=O)N[C@H]2CCCc3occc32)ccc1Cl ZINC000129960095 334916481 /nfs/dbraw/zinc/91/64/81/334916481.db2.gz WITOTUNAPRGIJP-ZDUSSCGKSA-N 0 0 305.761 3.749 50 0 DHAARN Cc1cnccc1-c1nc(Cc2ccccc2OC(F)F)no1 ZINC000345902774 335359768 /nfs/dbraw/zinc/35/97/68/335359768.db2.gz NIJLOQIMSVCDSI-UHFFFAOYSA-N 0 0 317.295 3.632 50 0 DHAARN Cc1nccc(CNC(=O)[C@H](CC2CCCCC2)C(C)C)n1 ZINC000115037748 335834630 /nfs/dbraw/zinc/83/46/30/335834630.db2.gz HHLJOJUOTOWSGS-QGZVFWFLSA-N 0 0 303.450 3.644 50 0 DHAARN Cc1nc(-c2c[nH]c(C(=O)N[C@]3(C)CC=CCC3)c2)cs1 ZINC000331885265 336151587 /nfs/dbraw/zinc/15/15/87/336151587.db2.gz DJWBDMRKEGGAKA-MRXNPFEDSA-N 0 0 301.415 3.675 50 0 DHAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1O ZINC000331922366 336152982 /nfs/dbraw/zinc/15/29/82/336152982.db2.gz LSNREPSJCKGGGS-GOSISDBHSA-N 0 0 323.392 3.881 50 0 DHAARN NC(=O)[C@H]1CCC[C@@H](C(=O)N2CCc3cc(Cl)ccc32)C1 ZINC000332040315 336156504 /nfs/dbraw/zinc/15/65/04/336156504.db2.gz XUOKYQKLFSPDDX-NWDGAFQWSA-N 0 0 306.793 3.571 50 0 DHAARN COC[C@@H](C)Oc1ccc(Cl)cc1NCc1cncs1 ZINC000190367519 336263668 /nfs/dbraw/zinc/26/36/68/336263668.db2.gz BTRICRWKULFUFF-SNVBAGLBSA-N 0 0 312.822 3.822 50 0 DHAARN C[C@@H](c1ccco1)N(C)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000171317911 337086303 /nfs/dbraw/zinc/08/63/03/337086303.db2.gz QMXXGKHFGLNDJC-NSHDSACASA-N 0 0 302.378 3.592 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)c3cccc(N)c3)cc2)cs1 ZINC000194276283 337129074 /nfs/dbraw/zinc/12/90/74/337129074.db2.gz WWNKAFCZRBXUQY-UHFFFAOYSA-N 0 0 309.394 3.953 50 0 DHAARN COc1ncc(C)cc1NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000174969544 337143823 /nfs/dbraw/zinc/14/38/23/337143823.db2.gz SCLYLTDCFKVCCA-MRXNPFEDSA-N 0 0 311.385 3.768 50 0 DHAARN Cc1nc(CNC(=O)c2ccc(C3CCC3)cc2)sc1C ZINC000188534567 337273981 /nfs/dbraw/zinc/27/39/81/337273981.db2.gz PGJUNILGSLNPRY-UHFFFAOYSA-N 0 0 300.427 3.957 50 0 DHAARN COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000017246166 337352428 /nfs/dbraw/zinc/35/24/28/337352428.db2.gz UKJMETMZDXSJDW-JTQLQIEISA-N 0 0 302.399 3.529 50 0 DHAARN C[C@H]1c2cc(F)ccc2CCN1Cc1nnc(-c2ccco2)o1 ZINC000096406956 337381817 /nfs/dbraw/zinc/38/18/17/337381817.db2.gz OGMJKTVKVINYIT-NSHDSACASA-N 0 0 313.332 3.588 50 0 DHAARN C[C@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccnc1 ZINC000193504688 337383576 /nfs/dbraw/zinc/38/35/76/337383576.db2.gz XNSQBQPCYJYYOO-AWEZNQCLSA-N 0 0 323.421 3.875 50 0 DHAARN CCn1cc(C2CCN(C(=O)[C@@H]3CCCCC3(C)C)CC2)cn1 ZINC000194164301 337461776 /nfs/dbraw/zinc/46/17/76/337461776.db2.gz AVZJWLHBDLGRPK-KRWDZBQOSA-N 0 0 317.477 3.825 50 0 DHAARN O=C(Nc1ccccc1-c1cccs1)N1CCC[C@H]1CCO ZINC000429266447 338075202 /nfs/dbraw/zinc/07/52/02/338075202.db2.gz UMSSLSQNRZHXFV-ZDUSSCGKSA-N 0 0 316.426 3.794 50 0 DHAARN O=C(N[C@H]1C[C@H](c2ccccc2)C1)[C@H]1C[C@]12CCc1ccccc12 ZINC000437455987 338310724 /nfs/dbraw/zinc/31/07/24/338310724.db2.gz VNCWWHYURYHBJU-DBQGFPOUSA-N 0 0 317.432 3.953 50 0 DHAARN CCCCOc1ccc(/C=C\c2ncncc2C(=O)OC)cc1 ZINC000470301060 339316702 /nfs/dbraw/zinc/31/67/02/339316702.db2.gz ALVMTLWQVAOFLD-YFHOEESVSA-N 0 0 312.369 3.613 50 0 DHAARN CC(C)OCc1ccc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC000194523830 340593172 /nfs/dbraw/zinc/59/31/72/340593172.db2.gz WPXSEZZQTWXRMX-AWEZNQCLSA-N 0 0 320.433 3.643 50 0 DHAARN Cc1ncccc1CNC(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000529057701 340743913 /nfs/dbraw/zinc/74/39/13/340743913.db2.gz LTNUOEGMAPBYSO-ZDUSSCGKSA-N 0 0 315.421 3.515 50 0 DHAARN Cc1csc([C@@H]2CCCN(C(=O)C[C@@H](C)n3cccc3)C2)n1 ZINC000072298753 341074418 /nfs/dbraw/zinc/07/44/18/341074418.db2.gz IPXAQKWQTFAIEB-HUUCEWRRSA-N 0 0 317.458 3.610 50 0 DHAARN CC(C)N(CCc1nccs1)C(=O)c1scnc1C1CC1 ZINC000089832751 341409580 /nfs/dbraw/zinc/40/95/80/341409580.db2.gz SKBAOMOCYBEEJO-UHFFFAOYSA-N 0 0 321.471 3.570 50 0 DHAARN Cc1c(-c2nc(C3CCCC3)no2)cnn1Cc1ccccc1 ZINC000172047083 341791813 /nfs/dbraw/zinc/79/18/13/341791813.db2.gz HDSDRZRVELGJID-UHFFFAOYSA-N 0 0 308.385 3.947 50 0 DHAARN O=C(c1cncc(F)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000177663705 341922954 /nfs/dbraw/zinc/92/29/54/341922954.db2.gz VIOWXMUDQWMBCM-HNNXBMFYSA-N 0 0 318.779 3.721 50 0 DHAARN CCOC(=O)c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1O ZINC000000470054 517692475 /nfs/dbraw/zinc/69/24/75/517692475.db2.gz BMRRGVTXPDSLRJ-UHFFFAOYSA-N 0 0 311.381 3.706 50 0 DHAARN CC(=O)Nc1ccc(C)c(NC[C@H](C)CC2CCOCC2)c1 ZINC000338948355 519713085 /nfs/dbraw/zinc/71/30/85/519713085.db2.gz LWSDUFHPGKCBHR-CYBMUJFWSA-N 0 0 304.434 3.818 50 0 DHAARN CCCCS[C@@H](C)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000264138687 520967339 /nfs/dbraw/zinc/96/73/39/520967339.db2.gz PUDFHDBVVPEBEP-LBPRGKRZSA-N 0 0 320.458 3.822 50 0 DHAARN CC[C@H](NC(=O)N(C)C(C)C)c1ccccc1OC(F)F ZINC000086365597 522405545 /nfs/dbraw/zinc/40/55/45/522405545.db2.gz DPQMFKQXZJEOOL-LBPRGKRZSA-N 0 0 300.349 3.789 50 0 DHAARN Fc1cc2ncc(N3CCC[C@@H]3c3cccnc3)nc2cc1F ZINC000364902257 526312617 /nfs/dbraw/zinc/31/26/17/526312617.db2.gz QTFLHXXCKIOYOC-MRXNPFEDSA-N 0 0 312.323 3.645 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000131529090 526517122 /nfs/dbraw/zinc/51/71/22/526517122.db2.gz LUQBFGTUGWPVPX-BJOHPYRUSA-N 0 0 317.820 3.587 50 0 DHAARN O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc2c(s1)CCC2 ZINC000162709006 527141046 /nfs/dbraw/zinc/14/10/46/527141046.db2.gz PYXUAXXOPQQTAW-UHFFFAOYSA-N 0 0 309.394 3.879 50 0 DHAARN Cn1ccnc1CNc1ccc(Cl)cc1OCC(F)(F)F ZINC000124494608 527437933 /nfs/dbraw/zinc/43/79/33/527437933.db2.gz XGIBNQFQBKCZOU-UHFFFAOYSA-N 0 0 319.714 3.627 50 0 DHAARN Cc1ncsc1CN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000093606498 527501571 /nfs/dbraw/zinc/50/15/71/527501571.db2.gz GMCYEATUEFVRED-ABAIWWIYSA-N 0 0 306.406 3.553 50 0 DHAARN CC(C)(C)OCc1cc(C(=O)N2CC=C(C(C)(C)C)CC2)no1 ZINC000274637728 534987665 /nfs/dbraw/zinc/98/76/65/534987665.db2.gz JTOCGEGRIFMPOL-UHFFFAOYSA-N 0 0 320.433 3.808 50 0 DHAARN CCOC1CC(c2nc(Cc3c(C)cc(C)cc3C)no2)C1 ZINC000288927025 535394843 /nfs/dbraw/zinc/39/48/43/535394843.db2.gz IGZFIPCQKBIXBW-UHFFFAOYSA-N 0 0 300.402 3.868 50 0 DHAARN CSC[C@@H]1CCCN(C(=O)c2cccc3cc(C)oc32)C1 ZINC000097572349 563540027 /nfs/dbraw/zinc/54/00/27/563540027.db2.gz PPAWZCKXDJIRMK-CYBMUJFWSA-N 0 0 303.427 3.956 50 0 DHAARN CCOC(=O)[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000055543866 563718480 /nfs/dbraw/zinc/71/84/80/563718480.db2.gz VRZANDREJGEGFC-CQSZACIVSA-N 0 0 315.335 3.623 50 0 DHAARN CCCCSCc1cc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)oc1C ZINC000223104064 563731000 /nfs/dbraw/zinc/73/10/00/563731000.db2.gz SWOMBHOCNJRVAJ-ILXRZTDVSA-N 0 0 323.458 3.529 50 0 DHAARN Cc1nnc(CN(Cc2ccc(Cl)cc2F)C(C)(C)C)o1 ZINC000225450679 563755458 /nfs/dbraw/zinc/75/54/58/563755458.db2.gz POKSTLOHSHYPHU-UHFFFAOYSA-N 0 0 311.788 3.971 50 0 DHAARN CCC[N@H+](CC1CC1)[C@@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000055393614 563795604 /nfs/dbraw/zinc/79/56/04/563795604.db2.gz OTVROPPOWVEKRC-QGZVFWFLSA-N 0 0 305.418 3.722 50 0 DHAARN Cc1ncc(C(=O)OCc2nc(Cl)ccc2Cl)s1 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/nfs/dbraw/zinc/31/93/45/563319345.db2.gz GBVHAJDQLOKALR-ONEGZZNKSA-N 0 0 322.575 3.705 50 0 DHAARN COc1cc(C)ccc1OCCCOc1ccccc1C=O ZINC000002991170 563319960 /nfs/dbraw/zinc/31/99/60/563319960.db2.gz VJFOTMJEPUFMGG-UHFFFAOYSA-N 0 0 300.354 3.664 50 0 DHAARN CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000002988535 563320073 /nfs/dbraw/zinc/32/00/73/563320073.db2.gz KDWKFWGVIILFKW-HNNXBMFYSA-N 0 0 304.434 3.575 50 0 DHAARN Cc1cccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)c1 ZINC000003000076 563320690 /nfs/dbraw/zinc/32/06/90/563320690.db2.gz VSCIKQWFNMYRIR-UHFFFAOYSA-N 0 0 316.445 3.655 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(C)c1C ZINC000003096074 563321611 /nfs/dbraw/zinc/32/16/11/563321611.db2.gz ALZFYDPCRMEVIN-OAHLLOKOSA-N 0 0 304.434 3.575 50 0 DHAARN CCO/C=C1/c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000003249377 563323588 /nfs/dbraw/zinc/32/35/88/563323588.db2.gz UGFUJFDKZLACMS-PDGQHHTCSA-N 0 0 321.376 3.868 50 0 DHAARN O=C(NC1CCCC1)c1cn2cc(-c3cccc(F)c3)ccc2n1 ZINC000034831017 563323845 /nfs/dbraw/zinc/32/38/45/563323845.db2.gz AAVHUFRVFPONJQ-UHFFFAOYSA-N 0 0 323.371 3.813 50 0 DHAARN Cc1[nH]nc(CCc2ccccc2)c1NC(=O)c1ccccc1 ZINC000034795266 563323855 /nfs/dbraw/zinc/32/38/55/563323855.db2.gz WQAYLYGUCNUPSL-UHFFFAOYSA-N 0 0 305.381 3.756 50 0 DHAARN Cc1cccc(-n2ccc(NC(=O)CSc3ccccc3)n2)c1 ZINC000034907503 563324678 /nfs/dbraw/zinc/32/46/78/563324678.db2.gz NBVPDZVXOQZSIB-UHFFFAOYSA-N 0 0 323.421 3.912 50 0 DHAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)C2CC2)cc1 ZINC000034912812 563325227 /nfs/dbraw/zinc/32/52/27/563325227.db2.gz KEQNNQPIFLTPGM-UHFFFAOYSA-N 0 0 321.380 3.667 50 0 DHAARN CCn1nc(-c2ccccc2OC)cc1C(=O)Nc1ccccc1 ZINC000034903283 563325284 /nfs/dbraw/zinc/32/52/84/563325284.db2.gz SBTPFLAYCUHDQJ-UHFFFAOYSA-N 0 0 321.380 3.831 50 0 DHAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)C(C)C ZINC000034912680 563325318 /nfs/dbraw/zinc/32/53/18/563325318.db2.gz HNHNUUSZXLVTGQ-UHFFFAOYSA-N 0 0 323.396 3.913 50 0 DHAARN O=C(CC[C@H]1CCCO1)Nc1cccc(Oc2ccncc2)c1 ZINC000071899785 563326125 /nfs/dbraw/zinc/32/61/25/563326125.db2.gz OTYZFDQHELEBQD-OAHLLOKOSA-N 0 0 312.369 3.772 50 0 DHAARN CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1OC1CCCC1 ZINC000071896081 563326671 /nfs/dbraw/zinc/32/66/71/563326671.db2.gz ACMYOCLDTMMOEU-HNNXBMFYSA-N 0 0 317.429 3.507 50 0 DHAARN Cc1cc(NC(=O)CNc2ccc(-c3ccccc3)cc2)no1 ZINC000046169798 563328990 /nfs/dbraw/zinc/32/89/90/563328990.db2.gz GWAAOINYGZVENO-UHFFFAOYSA-N 0 0 307.353 3.701 50 0 DHAARN CC(=O)c1sc2nc3ccccc3n2c1C(=O)c1ccccc1 ZINC000005318586 563329599 /nfs/dbraw/zinc/32/95/99/563329599.db2.gz YZUALZAIPZBVGT-UHFFFAOYSA-N 0 0 320.373 3.983 50 0 DHAARN Cc1[nH]nc2c1[C@H](c1ccccc1F)N(c1ccc(C)cc1)C2=O ZINC000005818284 563330932 /nfs/dbraw/zinc/33/09/32/563330932.db2.gz YWGHYJLNWLMXBC-SFHVURJKSA-N 0 0 321.355 3.915 50 0 DHAARN Cc1[nH]nc2c1[C@H](c1cccc(F)c1)N(c1ccc(C)cc1)C2=O ZINC000005818280 563330971 /nfs/dbraw/zinc/33/09/71/563330971.db2.gz ZNLPYVVBYGBMPQ-SFHVURJKSA-N 0 0 321.355 3.915 50 0 DHAARN Cc1nnc([C@@H](C)NCC2(c3c(F)cccc3F)CCCC2)o1 ZINC000071902653 563331154 /nfs/dbraw/zinc/33/11/54/563331154.db2.gz KDPBXIBOXGZROA-LLVKDONJSA-N 0 0 321.371 3.819 50 0 DHAARN O=C1COc2ccc(Cl)cc2N1Cc1cccc(Cl)c1 ZINC000005749810 563331241 /nfs/dbraw/zinc/33/12/41/563331241.db2.gz WRGCNTBQGOYPAD-UHFFFAOYSA-N 0 0 308.164 3.919 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000071902851 563331263 /nfs/dbraw/zinc/33/12/63/563331263.db2.gz KDFHCNZHOAJJDT-CJNGLKHVSA-N 0 0 318.417 3.569 50 0 DHAARN Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)c1nccs1)C(C)C ZINC000071909201 563333334 /nfs/dbraw/zinc/33/33/34/563333334.db2.gz LEOLYXGGTQYLNM-STQMWFEESA-N 0 0 318.446 3.604 50 0 DHAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCCCCCC1 ZINC000006727818 563334029 /nfs/dbraw/zinc/33/40/29/563334029.db2.gz VJTLWYNXOFIKDT-UHFFFAOYSA-N 0 0 307.262 3.788 50 0 DHAARN O=C1C[C@H](c2ccccc2F)c2c(n[nH]c2-c2ccccc2)N1 ZINC000006909430 563335221 /nfs/dbraw/zinc/33/52/21/563335221.db2.gz BNQGGQUFILYMRW-CYBMUJFWSA-N 0 0 307.328 3.690 50 0 DHAARN CSc1ccccc1NC(=O)c1noc2c1C[C@H](C)CC2 ZINC000007000217 563335853 /nfs/dbraw/zinc/33/58/53/563335853.db2.gz MZYZPQFCPDRRFP-SNVBAGLBSA-N 0 0 302.399 3.774 50 0 DHAARN COC[C@H](C)N(C)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000064918572 563337248 /nfs/dbraw/zinc/33/72/48/563337248.db2.gz SMBJAYBSAVLLRP-JTQLQIEISA-N 0 0 324.833 3.570 50 0 DHAARN CCCOc1cccc(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)c1 ZINC000097372324 563337334 /nfs/dbraw/zinc/33/73/34/563337334.db2.gz OQFHYPBGLFMCFI-NSHDSACASA-N 0 0 301.390 3.558 50 0 DHAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000007408997 563338682 /nfs/dbraw/zinc/33/86/82/563338682.db2.gz DAJQTLKBOZZKJS-UHFFFAOYSA-N 0 0 317.744 3.727 50 0 DHAARN COc1ccc(C(=O)Nc2nc3c(cc(F)cc3F)s2)cc1 ZINC000002713996 563339588 /nfs/dbraw/zinc/33/95/88/563339588.db2.gz ZXDXCGTUDLAPIZ-UHFFFAOYSA-N 0 0 320.320 3.835 50 0 DHAARN CCn1cc(CNC(=O)Nc2cccc3ccccc32)c(C)n1 ZINC000002764226 563341304 /nfs/dbraw/zinc/34/13/04/563341304.db2.gz GFJPFMLLRKNPSF-UHFFFAOYSA-N 0 0 308.385 3.686 50 0 DHAARN O=C(Nc1ccc(Cl)cc1F)c1cc2ccccc2oc1=O ZINC000002772897 563341841 /nfs/dbraw/zinc/34/18/41/563341841.db2.gz VYMUZNDJGUIJLS-UHFFFAOYSA-N 0 0 317.703 3.838 50 0 DHAARN O=C(NCc1ccc2ccccc2c1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000097379120 563342730 /nfs/dbraw/zinc/34/27/30/563342730.db2.gz GFJRXPMQEDMCDV-RTBURBONSA-N 0 0 324.424 3.597 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1ccc(Br)cc1 ZINC000007914128 563343160 /nfs/dbraw/zinc/34/31/60/563343160.db2.gz YMEXSKSQEUCDIH-UHFFFAOYSA-N 0 0 309.163 3.560 50 0 DHAARN CCCC[C@@]1(c2ccccc2)NC(=S)N(c2ccccc2)N1 ZINC000002945366 563344752 /nfs/dbraw/zinc/34/47/52/563344752.db2.gz CLFIQYANMBHRKN-GOSISDBHSA-N 0 0 311.454 3.929 50 0 DHAARN CC[C@@H](C)[C@H](C)N(C(=O)Nc1cc(C(N)=O)ccc1C)C1CC1 ZINC000071921479 563345959 /nfs/dbraw/zinc/34/59/59/563345959.db2.gz HTLDBWAXGFCJDW-YPMHNXCESA-N 0 0 317.433 3.525 50 0 DHAARN CCOc1ccc(Cl)cc1NC(=O)c1ccccc1OC ZINC000008324623 563345991 /nfs/dbraw/zinc/34/59/91/563345991.db2.gz KDVIUUMJQCOSOL-UHFFFAOYSA-N 0 0 305.761 4.000 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1ccc(Br)c(C)c1 ZINC000013325684 563380842 /nfs/dbraw/zinc/38/08/42/563380842.db2.gz HERIULHUPXLUSG-UHFFFAOYSA-N 0 0 323.190 3.869 50 0 DHAARN COC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3n2C)cc1 ZINC000008614927 563347930 /nfs/dbraw/zinc/34/79/30/563347930.db2.gz ISRWHOJNWCOEMV-UHFFFAOYSA-N 0 0 322.364 3.526 50 0 aggregator DHAARN Cc1cc(C)cc(-c2nc3n(n2)N=C(c2ccccc2)CS3)c1 ZINC000008715057 563349194 /nfs/dbraw/zinc/34/91/94/563349194.db2.gz KIHVJWACOFDVPD-UHFFFAOYSA-N 0 0 320.421 3.920 50 0 DHAARN CCc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1OC ZINC000008715002 563349380 /nfs/dbraw/zinc/34/93/80/563349380.db2.gz JVKQHCFQSCUZDV-UHFFFAOYSA-N 0 0 319.426 3.675 50 0 DHAARN CC(C)c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000008715050 563349450 /nfs/dbraw/zinc/34/94/50/563349450.db2.gz PNMTYJUOHNQYTP-UHFFFAOYSA-N 0 0 312.320 3.995 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)c3c(C)noc3C)c2)cs1 ZINC000008745202 563349859 /nfs/dbraw/zinc/34/98/59/563349859.db2.gz ZJGMOQQUOSMAMW-UHFFFAOYSA-N 0 0 313.382 3.976 50 0 DHAARN COCc1nn2c(nc(C)c(Cl)c2C)c1-c1ccccc1 ZINC000009261002 563352862 /nfs/dbraw/zinc/35/28/62/563352862.db2.gz KWSRJBSFBYYPLZ-UHFFFAOYSA-N 0 0 301.777 3.813 50 0 DHAARN CCC(=O)Nc1cccc(C(=O)Nc2cc(C)ccc2OC)c1 ZINC000009286885 563353129 /nfs/dbraw/zinc/35/31/29/563353129.db2.gz HHAVVXRPVHVYAT-UHFFFAOYSA-N 0 0 312.369 3.604 50 0 DHAARN CC[C@@H](c1nn2c(nnc2-c2ccccn2)s1)c1ccccc1 ZINC000010312397 563355771 /nfs/dbraw/zinc/35/57/71/563355771.db2.gz BKZIUTCVOZHRTC-CYBMUJFWSA-N 0 0 321.409 3.790 50 0 DHAARN O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)c1ccccc1 ZINC000010343561 563355858 /nfs/dbraw/zinc/35/58/58/563355858.db2.gz JTICFOQSOJNMEA-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN COc1ccc([C@@H](CC(=O)N2CCCC2)c2ccccc2)cc1 ZINC000011874319 563359928 /nfs/dbraw/zinc/35/99/28/563359928.db2.gz YAJOPWHIBUNHLV-IBGZPJMESA-N 0 0 309.409 3.840 50 0 DHAARN O=C(N1CCC[C@@H](Nc2ccccc2)C1)C1(c2ccccc2)CC1 ZINC000011820998 563360256 /nfs/dbraw/zinc/36/02/56/563360256.db2.gz OORDYZWXWAYKDV-LJQANCHMSA-N 0 0 320.436 3.821 50 0 DHAARN CC(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000012138223 563362622 /nfs/dbraw/zinc/36/26/22/563362622.db2.gz ZFVDIFOWPGNWMK-UHFFFAOYSA-N 0 0 316.788 3.731 50 0 DHAARN CCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000012138640 563362654 /nfs/dbraw/zinc/36/26/54/563362654.db2.gz GWNYBBWHBXFENZ-UHFFFAOYSA-N 0 0 311.385 3.861 50 0 DHAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000012138295 563362681 /nfs/dbraw/zinc/36/26/81/563362681.db2.gz GFIZDMQKDWYUHP-OAHLLOKOSA-N 0 0 324.424 3.786 50 0 DHAARN Cc1c(-c2nnc(-c3ccccc3)o2)nnn1-c1cccc(C)c1 ZINC000012274325 563365285 /nfs/dbraw/zinc/36/52/85/563365285.db2.gz DSTYLHKKDGXDNP-UHFFFAOYSA-N 0 0 317.352 3.601 50 0 DHAARN CC(C)=CC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012301810 563365336 /nfs/dbraw/zinc/36/53/36/563365336.db2.gz MDXNBOHOEKGRKN-SFHVURJKSA-N 0 0 323.440 3.949 50 0 DHAARN CCCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccccc1 ZINC000012274646 563365537 /nfs/dbraw/zinc/36/55/37/563365537.db2.gz OJINAPGJFPYOHP-UHFFFAOYSA-N 0 0 320.396 3.781 50 0 DHAARN CC1(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)CC1 ZINC000012302589 563366500 /nfs/dbraw/zinc/36/65/00/563366500.db2.gz NMLKEPJPYYOZCU-ZDUSSCGKSA-N 0 0 307.384 3.936 50 0 DHAARN CCNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000012373512 563367223 /nfs/dbraw/zinc/36/72/23/563367223.db2.gz FBCLBXOYGWFWTF-UHFFFAOYSA-N 0 0 314.772 3.822 50 0 DHAARN CCOCCn1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000012378376 563367654 /nfs/dbraw/zinc/36/76/54/563367654.db2.gz SRHGMXWTLFQNBL-UHFFFAOYSA-N 0 0 310.397 3.960 50 0 DHAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cn1 ZINC000012383135 563368206 /nfs/dbraw/zinc/36/82/06/563368206.db2.gz GPJOLPWUZLMCOJ-UHFFFAOYSA-N 0 0 304.777 3.876 50 0 DHAARN CCOc1ccc(-c2noc(-c3cc(-c4ccco4)[nH]n3)n2)cc1 ZINC000012415134 563369169 /nfs/dbraw/zinc/36/91/69/563369169.db2.gz LBWXSQWPTQGZHM-UHFFFAOYSA-N 0 0 322.324 3.785 50 0 DHAARN Fc1ccc(CC[C@@H]2CCCN(Cc3ncc[nH]3)C2)cc1F ZINC000012434196 563369605 /nfs/dbraw/zinc/36/96/05/563369605.db2.gz IOHDBPYNGQFJPX-AWEZNQCLSA-N 0 0 305.372 3.533 50 0 DHAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@H]1CCCO ZINC000012476370 563370649 /nfs/dbraw/zinc/37/06/49/563370649.db2.gz IVXUINNBSCFJJN-HNNXBMFYSA-N 0 0 315.413 3.817 50 0 DHAARN CC[C@@H]1CCc2sc(C(=O)NCc3ccccn3)cc2C1 ZINC000012545116 563370786 /nfs/dbraw/zinc/37/07/86/563370786.db2.gz FBBAYKIZERPSDJ-GFCCVEGCSA-N 0 0 300.427 3.588 50 0 DHAARN CCn1cc(CNC(=O)Nc2cccc(Cl)c2Cl)cn1 ZINC000032611441 563371443 /nfs/dbraw/zinc/37/14/43/563371443.db2.gz YNUKBNMKBIUPHT-UHFFFAOYSA-N 0 0 313.188 3.532 50 0 DHAARN Cc1ccc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)o1 ZINC000012592679 563371543 /nfs/dbraw/zinc/37/15/43/563371543.db2.gz YDBGWHQNAGPMMQ-LLVKDONJSA-N 0 0 301.346 3.732 50 0 DHAARN Cc1[nH]c2c(cccc2F)c1CCNC(=O)Cc1cccs1 ZINC000032611452 563371596 /nfs/dbraw/zinc/37/15/96/563371596.db2.gz ZGXKXOWYVZDOCP-UHFFFAOYSA-N 0 0 316.401 3.578 50 0 DHAARN COc1ccc(-c2n[nH]c3c2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000012653621 563372341 /nfs/dbraw/zinc/37/23/41/563372341.db2.gz DDTROEDDYLTLKB-HNNXBMFYSA-N 0 0 318.376 3.998 50 0 DHAARN Cc1ncoc1C(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000012761288 563373533 /nfs/dbraw/zinc/37/35/33/563373533.db2.gz IAYKZCDAWNQYFA-OAHLLOKOSA-N 0 0 316.376 3.607 50 0 DHAARN Cc1ccccc1OCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000012790912 563373643 /nfs/dbraw/zinc/37/36/43/563373643.db2.gz PAYRGPZQBXTLPV-GOEBONIOSA-N 0 0 304.434 3.594 50 0 DHAARN Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000032674606 563375097 /nfs/dbraw/zinc/37/50/97/563375097.db2.gz JDCMNCDWOKKFSV-SNVBAGLBSA-N 0 0 306.793 3.755 50 0 DHAARN O=C(NC1CC1)[C@H](Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000013000506 563376782 /nfs/dbraw/zinc/37/67/82/563376782.db2.gz LWQZEVKSYNTODJ-MRXNPFEDSA-N 0 0 318.779 3.911 50 0 DHAARN O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012993488 563376905 /nfs/dbraw/zinc/37/69/05/563376905.db2.gz UMBQYDKODCKWAQ-UHFFFAOYSA-N 0 0 321.355 3.752 50 0 DHAARN Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1F ZINC000013000669 563377570 /nfs/dbraw/zinc/37/75/70/563377570.db2.gz ITZCWUJBJQRNBM-UHFFFAOYSA-N 0 0 312.348 3.712 50 0 DHAARN COc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)ccc1C ZINC000013002226 563377614 /nfs/dbraw/zinc/37/76/14/563377614.db2.gz VNFYIZXJFKLEBD-UHFFFAOYSA-N 0 0 324.384 3.582 50 0 DHAARN CCc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)cc1 ZINC000013132139 563378828 /nfs/dbraw/zinc/37/88/28/563378828.db2.gz LZSJKABBTONJNC-SJORKVTESA-N 0 0 319.412 3.569 50 0 DHAARN O=C(c1nccn1-c1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000013282096 563380142 /nfs/dbraw/zinc/38/01/42/563380142.db2.gz NRVYWSRICTWJJC-UHFFFAOYSA-N 0 0 318.163 3.805 50 0 DHAARN O=C(Nc1ccc2n[nH]cc2c1)c1cc(F)c(F)cc1Cl ZINC000013324124 563380568 /nfs/dbraw/zinc/38/05/68/563380568.db2.gz MVMMDWCLAYEDLG-UHFFFAOYSA-N 0 0 307.687 3.747 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000013327065 563380812 /nfs/dbraw/zinc/38/08/12/563380812.db2.gz PWIXYBBTCYMDIX-UHFFFAOYSA-N 0 0 322.364 3.976 50 0 DHAARN CCC(CC)C(=O)Nc1ccccc1I ZINC000013325724 563380900 /nfs/dbraw/zinc/38/09/00/563380900.db2.gz 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Cn1ccnc1[C@@H](NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000030644244 563437282 /nfs/dbraw/zinc/43/72/82/563437282.db2.gz YYJXOLCJYSJXQK-KRWDZBQOSA-N 0 0 313.351 3.578 50 0 DHAARN O=C(Nc1nncs1)c1ccc(CSc2ccccc2)o1 ZINC000030611540 563437360 /nfs/dbraw/zinc/43/73/60/563437360.db2.gz IHPXYBURHWRBMM-UHFFFAOYSA-N 0 0 317.395 3.676 50 0 DHAARN Cc1cccc(CN[C@@H](c2nccn2C)c2cccc(F)c2)c1 ZINC000030645414 563437663 /nfs/dbraw/zinc/43/76/63/563437663.db2.gz SMEMXWBOYFKXAQ-GOSISDBHSA-N 0 0 309.388 3.747 50 0 DHAARN Cn1ccnc1[C@H](NCc1cccc(F)c1)c1cccc(F)c1 ZINC000030645430 563437745 /nfs/dbraw/zinc/43/77/45/563437745.db2.gz XPNROSFXWPAMSY-QGZVFWFLSA-N 0 0 313.351 3.578 50 0 DHAARN Cc1ccc(CN[C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644425 563437777 /nfs/dbraw/zinc/43/77/77/563437777.db2.gz FHHJTBGPCKJRBM-GOSISDBHSA-N 0 0 309.388 3.747 50 0 DHAARN Cc1ccc(NC(=O)NC2CCCCC2)cc1NC(=O)C1CC1 ZINC000030831063 563438694 /nfs/dbraw/zinc/43/86/94/563438694.db2.gz DOHYJCWFDGQKLT-UHFFFAOYSA-N 0 0 315.417 3.798 50 0 DHAARN 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CCOc1ccc(-c2csc3ncn(CC)c(=O)c23)cc1 ZINC000000131725 563446753 /nfs/dbraw/zinc/44/67/53/563446753.db2.gz UQVUCELNFVCVDV-UHFFFAOYSA-N 0 0 300.383 3.544 50 0 DHAARN CC[C@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cn1 ZINC000000069600 563447021 /nfs/dbraw/zinc/44/70/21/563447021.db2.gz VSMWDSFRFPGKEZ-NSHDSACASA-N 0 0 307.806 3.639 50 0 DHAARN CCCCC1CCC(C(=O)N2c3ccccc3C(=O)C2=O)CC1 ZINC000002837278 563449052 /nfs/dbraw/zinc/44/90/52/563449052.db2.gz VRHGEGRNXGCGCV-UHFFFAOYSA-N 0 0 313.397 3.739 50 0 DHAARN S=c1nc(Cc2nc(-c3ccc(Cl)cc3)cs2)o[nH]1 ZINC000071328716 563451917 /nfs/dbraw/zinc/45/19/17/563451917.db2.gz JWMQYOUTNRYNHW-UHFFFAOYSA-N 0 0 309.803 3.726 50 0 DHAARN CCCC(=O)Nc1ccc(C2(C(=O)NCCC(C)C)CC2)cc1 ZINC000035556997 563453411 /nfs/dbraw/zinc/45/34/11/563453411.db2.gz QGUCQNOWIDHKKA-UHFFFAOYSA-N 0 0 316.445 3.619 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000036620785 563456074 /nfs/dbraw/zinc/45/60/74/563456074.db2.gz VDYOFPPIIFHMFN-GOSISDBHSA-N 0 0 315.438 3.829 50 0 DHAARN CC(=O)c1nnc(-c2ccccc2)n1Nc1ccc(Cl)cc1 ZINC000036649171 563457243 /nfs/dbraw/zinc/45/72/43/563457243.db2.gz ZSDYAZMKWZFAQK-UHFFFAOYSA-N 0 0 312.760 3.676 50 0 DHAARN Fc1ccc(Oc2cc(N3CCCCCC3)ncn2)c(F)c1 ZINC000037378323 563458180 /nfs/dbraw/zinc/45/81/80/563458180.db2.gz GPBNISAFOOIRLP-UHFFFAOYSA-N 0 0 305.328 3.928 50 0 DHAARN CCCCC(=O)N[C@H](C)c1nc(-c2ccccc2Cl)no1 ZINC000013494860 563458517 /nfs/dbraw/zinc/45/85/17/563458517.db2.gz FCCHCQMTYPQLII-SNVBAGLBSA-N 0 0 307.781 3.757 50 0 DHAARN S=C(NCCc1ccccc1)Nc1cnc2ccccc2c1 ZINC000037867307 563459618 /nfs/dbraw/zinc/45/96/18/563459618.db2.gz ZJDJAMIHPGQGAJ-UHFFFAOYSA-N 0 0 307.422 3.764 50 0 DHAARN Cc1cccc(Oc2ccccc2NC(=O)C2=COCCO2)c1 ZINC000032997805 563460239 /nfs/dbraw/zinc/46/02/39/563460239.db2.gz AHCHATRAYQWNNB-UHFFFAOYSA-N 0 0 311.337 3.614 50 0 DHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1ccc[nH]1 ZINC000071818744 563460675 /nfs/dbraw/zinc/46/06/75/563460675.db2.gz FVNYWFPVBRKEGN-HNNXBMFYSA-N 0 0 322.330 3.940 50 0 DHAARN Cc1ccc(-c2ncc(NC(=O)c3ccccc3F)cn2)cc1 ZINC000097938518 563460932 /nfs/dbraw/zinc/46/09/32/563460932.db2.gz PHWMQLHDXKCWKP-UHFFFAOYSA-N 0 0 307.328 3.843 50 0 DHAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccs1 ZINC000044901487 563463714 /nfs/dbraw/zinc/46/37/14/563463714.db2.gz REOWQKZEJAPXQS-ZDUSSCGKSA-N 0 0 313.382 3.728 50 0 DHAARN CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccccc1 ZINC000046141158 563465451 /nfs/dbraw/zinc/46/54/51/563465451.db2.gz UTLQQXWZZMOCSZ-UHFFFAOYSA-N 0 0 307.353 3.939 50 0 DHAARN COCCN(C(=S)Nc1ccc(C)cc1)[C@H](C)c1ccco1 ZINC000013543357 563466129 /nfs/dbraw/zinc/46/61/29/563466129.db2.gz SRPYFKYTLHFYCW-CQSZACIVSA-N 0 0 318.442 3.994 50 0 DHAARN O=C(c1ccsc1)N1CCC(OCc2ccccc2)CC1 ZINC000053777902 563469789 /nfs/dbraw/zinc/46/97/89/563469789.db2.gz BLTMSABWFLBYJV-UHFFFAOYSA-N 0 0 301.411 3.570 50 0 DHAARN Cc1ccc(N2CCN(Cc3cc(F)ccc3F)CC2)cc1 ZINC000055142191 563471829 /nfs/dbraw/zinc/47/18/29/563471829.db2.gz MKJYOFABTHKRQF-UHFFFAOYSA-N 0 0 302.368 3.595 50 0 DHAARN Cc1ccnc(C[C@H](C)N(C)C(=O)CCCc2cccs2)c1 ZINC000055284524 563473413 /nfs/dbraw/zinc/47/34/13/563473413.db2.gz NQGFSOOHVBCXPH-HNNXBMFYSA-N 0 0 316.470 3.864 50 0 DHAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000055308596 563473426 /nfs/dbraw/zinc/47/34/26/563473426.db2.gz VVNAEJMLGBMONU-CQSZACIVSA-N 0 0 313.445 3.552 50 0 DHAARN COCC1(C(=O)N(Cc2sccc2C)CC(C)C)CCC1 ZINC000055326400 563474652 /nfs/dbraw/zinc/47/46/52/563474652.db2.gz PCIINDRSQAYJKI-UHFFFAOYSA-N 0 0 309.475 3.858 50 0 DHAARN CC[C@@H](C)N(Cc1ccsc1)C(=O)c1ccc(COC)o1 ZINC000055359496 563474671 /nfs/dbraw/zinc/47/46/71/563474671.db2.gz OJRYRMPGMXYXIU-GFCCVEGCSA-N 0 0 307.415 3.928 50 0 DHAARN COc1ccccc1C[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000055414002 563475486 /nfs/dbraw/zinc/47/54/86/563475486.db2.gz SBSNBRHXPQRMGS-UHFFFAOYSA-N 0 0 311.381 3.558 50 0 DHAARN Cc1cc(C)cc(NC(=O)[C@H](SCCO)c2ccccc2)c1 ZINC000033045867 563476179 /nfs/dbraw/zinc/47/61/79/563476179.db2.gz XTCFHVKBPMZOGR-QGZVFWFLSA-N 0 0 315.438 3.709 50 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DHAARN CCc1c(C(=O)CN2CCCc3ccccc32)[nH]c(C)c1C(C)=O ZINC000058406567 563478307 /nfs/dbraw/zinc/47/83/07/563478307.db2.gz HTYVMZZSJWYFAD-UHFFFAOYSA-N 0 0 324.424 3.724 50 0 DHAARN C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2)c2ccccc2S1 ZINC000033059201 563479553 /nfs/dbraw/zinc/47/95/53/563479553.db2.gz PNHGUDINYQGGGD-GFCCVEGCSA-N 0 0 316.401 3.765 50 0 DHAARN O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000096411062 563480036 /nfs/dbraw/zinc/48/00/36/563480036.db2.gz HGTUXKZZRJNRHC-GXTWGEPZSA-N 0 0 319.298 3.505 50 0 DHAARN CSc1ccc(O[C@H](C)C(=O)Nc2ccncc2C)cc1 ZINC000096419273 563480523 /nfs/dbraw/zinc/48/05/23/563480523.db2.gz FVXHLUJCWXWMTF-GFCCVEGCSA-N 0 0 302.399 3.518 50 0 DHAARN CCc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)n2ccnc2)o1 ZINC000096417137 563480613 /nfs/dbraw/zinc/48/06/13/563480613.db2.gz TXVMRJFHZNSKOD-GOEBONIOSA-N 0 0 315.417 3.743 50 0 DHAARN O=C(c1cccs1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000097941201 563481093 /nfs/dbraw/zinc/48/10/93/563481093.db2.gz ZNQUMOZMGJIUBW-ZDUSSCGKSA-N 0 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ZINC000241738503 563778233 /nfs/dbraw/zinc/77/82/33/563778233.db2.gz QYCLFGXUVJKXBL-ZDUSSCGKSA-N 0 0 313.401 3.698 50 0 DHAARN Cc1ccc(F)c(C(=O)NCc2cc(CC(C)C)no2)c1Cl ZINC000244873225 563779823 /nfs/dbraw/zinc/77/98/23/563779823.db2.gz WMDWWECBHOACPY-UHFFFAOYSA-N 0 0 324.783 3.904 50 0 DHAARN Cc1cc(-c2ccccc2)nc(CN2CCOC3(CCCC3)C2)n1 ZINC000244898837 563779906 /nfs/dbraw/zinc/77/99/06/563779906.db2.gz ZCKMFVVJMIHJJU-UHFFFAOYSA-N 0 0 323.440 3.597 50 0 DHAARN Cc1cc(N[C@@H](C)c2nccn2C)cc(C)c1Br ZINC000190327358 563781392 /nfs/dbraw/zinc/78/13/92/563781392.db2.gz DUACYQKKRMVPNN-NSHDSACASA-N 0 0 308.223 3.973 50 0 DHAARN FC(F)n1c2ccccc2nc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000051996690 563783421 /nfs/dbraw/zinc/78/34/21/563783421.db2.gz UMFYDGPZFGXODT-LSDHHAIUSA-N 0 0 321.371 3.575 50 0 DHAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccs1 ZINC000001002059 563786874 /nfs/dbraw/zinc/78/68/74/563786874.db2.gz XLEDTXGMDUADAR-UHFFFAOYSA-N 0 0 311.410 3.862 50 0 DHAARN CCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000001002164 563786943 /nfs/dbraw/zinc/78/69/43/563786943.db2.gz LAGOWGYRBOSVGI-UHFFFAOYSA-N 0 0 321.380 3.582 50 0 DHAARN COc1ccc(NC(=O)c2nc(C)oc2C)c(C(F)(F)F)c1 ZINC000293437179 563788841 /nfs/dbraw/zinc/78/88/41/563788841.db2.gz SWKQVLCNLUXLBF-UHFFFAOYSA-N 0 0 314.263 3.571 50 0 DHAARN C[C@H](NC(=O)C1(c2ccccc2)CCC1)c1ccc2c(c1)OCO2 ZINC000025584360 563793972 /nfs/dbraw/zinc/79/39/72/563793972.db2.gz ISUDDLZWWLXVJL-AWEZNQCLSA-N 0 0 323.392 3.714 50 0 DHAARN CC(C)c1nccn1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000182818003 563794088 /nfs/dbraw/zinc/79/40/88/563794088.db2.gz HGPOKIRMBDMLNB-LBPRGKRZSA-N 0 0 321.371 3.504 50 0 DHAARN Fc1ccc(Br)c(OC(F)F)c1Br ZINC000263623180 563794562 /nfs/dbraw/zinc/79/45/62/563794562.db2.gz FKIQWHUJZNJVOH-UHFFFAOYSA-N 0 0 319.902 3.952 50 0 DHAARN Cc1ccc(OCCSCC(=O)Nc2ccccc2)cc1 ZINC000001792323 563795501 /nfs/dbraw/zinc/79/55/01/563795501.db2.gz XMTPWWXTUMIQKM-UHFFFAOYSA-N 0 0 301.411 3.746 50 0 DHAARN COC(=O)c1scc(C)c1-c1c(C)csc1C(=O)OC 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O=C(Nc1ccncc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000012534310 563798811 /nfs/dbraw/zinc/79/88/11/563798811.db2.gz XUYQEISXCWWTND-UHFFFAOYSA-N 0 0 308.362 3.955 50 0 DHAARN Cc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1 ZINC000003217705 563799196 /nfs/dbraw/zinc/79/91/96/563799196.db2.gz DGLJGXLEJKDJES-UHFFFAOYSA-N 0 0 300.335 3.842 50 0 DHAARN CCc1ccc(NC(=O)CSc2ncnc3ccccc32)cc1 ZINC000003245574 563799820 /nfs/dbraw/zinc/79/98/20/563799820.db2.gz VXBIAWLRPHNZBM-UHFFFAOYSA-N 0 0 323.421 3.923 50 0 DHAARN CCCCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000012540945 563799876 /nfs/dbraw/zinc/79/98/76/563799876.db2.gz DQPFJVZMZGWBSY-AWEZNQCLSA-N 0 0 305.447 3.664 50 0 DHAARN COc1ccccc1-c1noc(CN2c3ccccc3C[C@H]2C)n1 ZINC000012555351 563800892 /nfs/dbraw/zinc/80/08/92/563800892.db2.gz YWTZZWRJTMNNGN-CYBMUJFWSA-N 0 0 321.380 3.696 50 0 DHAARN O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012557515 563801227 /nfs/dbraw/zinc/80/12/27/563801227.db2.gz WTBBMUCCWLDGKY-SFHVURJKSA-N 0 0 303.365 3.993 50 0 DHAARN Cc1ccc(F)cc1NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000003385480 563801729 /nfs/dbraw/zinc/80/17/29/563801729.db2.gz SALSLUVQXSMVTC-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN COc1cc(C(=O)NCCCn2ccc3ccccc32)ccc1C ZINC000012563130 563801936 /nfs/dbraw/zinc/80/19/36/563801936.db2.gz PSZLHJUEVJIPLY-UHFFFAOYSA-N 0 0 322.408 3.778 50 0 DHAARN Cc1ccc(-c2noc(CN3c4ccccc4C[C@@H]3C)n2)cc1 ZINC000012592581 563802769 /nfs/dbraw/zinc/80/27/69/563802769.db2.gz LADKGTMUEYXNCV-AWEZNQCLSA-N 0 0 305.381 3.996 50 0 DHAARN O=C(Nc1nc2c(cccc2C(F)(F)F)s1)c1ccncc1 ZINC000012599363 563802887 /nfs/dbraw/zinc/80/28/87/563802887.db2.gz WENFVOCIVILXQR-UHFFFAOYSA-N 0 0 323.299 3.962 50 0 DHAARN Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H](CC(C)C)c1cccnc1 ZINC000299755344 563804333 /nfs/dbraw/zinc/80/43/33/563804333.db2.gz HUHLVQZKPLPBFZ-HNNXBMFYSA-N 0 0 312.417 3.508 50 0 DHAARN CCC[C@H](C)n1nccc1NC(=O)N(C)C1CCSCC1 ZINC000299758820 563805048 /nfs/dbraw/zinc/80/50/48/563805048.db2.gz MEBSEBFGJPKHGN-LBPRGKRZSA-N 0 0 310.467 3.604 50 0 DHAARN CCCc1ccccc1NC(=O)N1CCC[C@H]1Cn1cccn1 ZINC000299759520 563805067 /nfs/dbraw/zinc/80/50/67/563805067.db2.gz OBTYQVJCLXXSBM-INIZCTEOSA-N 0 0 312.417 3.532 50 0 DHAARN CC(C)[C@@H](NC(=O)Nc1ccc2ncccc2c1)C(F)(F)F ZINC000299765287 563805131 /nfs/dbraw/zinc/80/51/31/563805131.db2.gz DXBCUSPIMUOELS-CYBMUJFWSA-N 0 0 311.307 3.943 50 0 DHAARN O=C(c1cccc(-c2cncnc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000299783933 563805725 /nfs/dbraw/zinc/80/57/25/563805725.db2.gz HEHNZECQSNYLJC-YJBOKZPZSA-N 0 0 321.424 3.796 50 0 DHAARN COCc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1 ZINC000299786590 563806557 /nfs/dbraw/zinc/80/65/57/563806557.db2.gz WCRCUOSFDOEJQI-IBGZPJMESA-N 0 0 309.409 3.853 50 0 DHAARN CC[C@H](COC)NC(=O)Nc1ccc2c(cc(C)n2CC)c1 ZINC000299798193 563806650 /nfs/dbraw/zinc/80/66/50/563806650.db2.gz QKFKUHNNUQUKQI-CQSZACIVSA-N 0 0 303.406 3.516 50 0 DHAARN O=C(c1cccc(-c2nccs2)c1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000299801073 563807021 /nfs/dbraw/zinc/80/70/21/563807021.db2.gz 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/nfs/dbraw/zinc/81/86/81/563818681.db2.gz KWQWOIATYYYNOI-UHFFFAOYSA-N 0 0 310.378 3.916 50 0 DHAARN COc1cnc(-c2ccccn2)nc1Sc1ccc(F)cc1 ZINC000001401650 563818758 /nfs/dbraw/zinc/81/87/58/563818758.db2.gz MFUCBYRUQFMVJU-UHFFFAOYSA-N 0 0 313.357 3.838 50 0 DHAARN Cc1cccc(C)c1Nc1cc(=O)n(C)nc1-c1ccccc1 ZINC000001409987 563819357 /nfs/dbraw/zinc/81/93/57/563819357.db2.gz PLCUUHWSPVFLPM-UHFFFAOYSA-N 0 0 305.381 3.808 50 0 DHAARN Cc1nc(N2CCCC2)ccc1NC(=O)C1(c2ccccc2)CC1 ZINC000084028789 563820914 /nfs/dbraw/zinc/82/09/14/563820914.db2.gz VPPIQRXUNYFDOY-UHFFFAOYSA-N 0 0 321.424 3.661 50 0 DHAARN Cc1cc(-c2cccc(F)c2)nnc1NCc1cscn1 ZINC000084116938 563823149 /nfs/dbraw/zinc/82/31/49/563823149.db2.gz DZKVFNICQGMVKP-UHFFFAOYSA-N 0 0 300.362 3.660 50 0 DHAARN O=C(CC1=CCCCC1)N1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000084137134 563823552 /nfs/dbraw/zinc/82/35/52/563823552.db2.gz IMORTKNCHODOGU-CQSZACIVSA-N 0 0 301.390 3.501 50 0 DHAARN COC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3n2C)C1(C)C ZINC000001426742 563823648 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ZINC000012788381 563831535 /nfs/dbraw/zinc/83/15/35/563831535.db2.gz MHESVIGQBOZDLL-UHFFFAOYSA-N 0 0 308.303 3.980 50 0 DHAARN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CC2(O)CCCC2)o1 ZINC000074194640 563832062 /nfs/dbraw/zinc/83/20/62/563832062.db2.gz VJCRHAZHDMMQTH-HOCLYGCPSA-N 0 0 319.445 3.837 50 0 DHAARN Cc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1C ZINC000012798723 563834274 /nfs/dbraw/zinc/83/42/74/563834274.db2.gz GIYILWJNPKZXGH-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN COc1ccc(C)cc1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000032496581 563834574 /nfs/dbraw/zinc/83/45/74/563834574.db2.gz QWXJILTVMQDKNP-UHFFFAOYSA-N 0 0 319.744 3.638 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)N[C@H](C)Cc1ccccc1F ZINC000053189852 563835848 /nfs/dbraw/zinc/83/58/48/563835848.db2.gz QCWBAEPMICYDSL-LLVKDONJSA-N 0 0 304.365 3.607 50 0 DHAARN O=C1CCC[C@H]1Sc1nnc(-c2ccccc2F)n1C1CC1 ZINC000012813589 563836656 /nfs/dbraw/zinc/83/66/56/563836656.db2.gz FHSMMJUEKYHXLH-CQSZACIVSA-N 0 0 317.389 3.633 50 0 DHAARN C/C=C/C(=O)N1CCC(CSc2ccc(OC)cc2)CC1 ZINC000085472322 563838340 /nfs/dbraw/zinc/83/83/40/563838340.db2.gz MMGJZCPFEOGSPY-ONEGZZNKSA-N 0 0 305.443 3.602 50 0 DHAARN C[C@H]1Oc2ccccc2C=C1/C=C1\N=C(c2ccccc2)OC1=O ZINC000001481436 563839368 /nfs/dbraw/zinc/83/93/68/563839368.db2.gz CSAOVZIYSPZVLG-KAECEXQPSA-N 0 0 317.344 3.738 50 0 DHAARN O=C(C=Cc1ccccc1)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000006110858 563840078 /nfs/dbraw/zinc/84/00/78/563840078.db2.gz BOSOJKZVVTUPTA-YPKPFQOOSA-N 0 0 318.420 3.523 50 0 DHAARN CC(C)C(=O)Nc1cccc(NCCCOCC(F)(F)F)c1 ZINC000086198893 563844785 /nfs/dbraw/zinc/84/47/85/563844785.db2.gz CECUBCYUNLJXFV-UHFFFAOYSA-N 0 0 318.339 3.662 50 0 DHAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)N1CCOCC1 ZINC000000398040 563846125 /nfs/dbraw/zinc/84/61/25/563846125.db2.gz SXDNKWUGMDEJKF-UHFFFAOYSA-N 0 0 309.580 3.511 50 0 DHAARN Clc1ccc2c(c1)N=C(c1ccc3c(c1)OCCO3)CO2 ZINC000071785261 563848476 /nfs/dbraw/zinc/84/84/76/563848476.db2.gz MBUBFGUQPZGSIJ-UHFFFAOYSA-N 0 0 301.729 3.624 50 0 DHAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(F)cc(F)c1 ZINC000012872606 563850259 /nfs/dbraw/zinc/85/02/59/563850259.db2.gz QMSDYACMGBKQRL-UHFFFAOYSA-N 0 0 316.307 3.566 50 0 DHAARN C[C@](O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000038876091 563851564 /nfs/dbraw/zinc/85/15/64/563851564.db2.gz ZEMRSQHDAGIOTD-FQEVSTJZSA-N 0 0 304.389 3.830 50 0 DHAARN O=C(Cc1cccc(F)c1F)N1CC[C@H](c2ccccc2)C1 ZINC000087209906 563852491 /nfs/dbraw/zinc/85/24/91/563852491.db2.gz RZTOJYNAWPILPM-HNNXBMFYSA-N 0 0 301.336 3.523 50 0 DHAARN COc1ccc(OC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000012886728 563852581 /nfs/dbraw/zinc/85/25/81/563852581.db2.gz RDKIDOOSWGGMBD-UHFFFAOYSA-N 0 0 309.321 3.878 50 0 DHAARN Cc1ccc(OCC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000012891607 563852725 /nfs/dbraw/zinc/85/27/25/563852725.db2.gz XOPMXDSYTJKIDO-MRXNPFEDSA-N 0 0 313.422 3.727 50 0 DHAARN O=C(COc1ccc(F)cc1Cl)N[C@H]1CCc2ccccc21 ZINC000012910690 563853106 /nfs/dbraw/zinc/85/31/06/563853106.db2.gz ADYZNXISRVOQJN-HNNXBMFYSA-N 0 0 319.763 3.662 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CCc2ccccc2)c1C ZINC000012904275 563853207 /nfs/dbraw/zinc/85/32/07/563853207.db2.gz BNVQHZLFRFHSRP-LBPRGKRZSA-N 0 0 312.413 3.585 50 0 DHAARN CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000012904640 563853437 /nfs/dbraw/zinc/85/34/37/563853437.db2.gz GYBCNCONPPRHPF-AAEUAGOBSA-N 0 0 317.410 3.595 50 0 DHAARN CN(Cc1cccs1)C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000012919028 563853856 /nfs/dbraw/zinc/85/38/56/563853856.db2.gz GRGAJRUCFDWNJF-UHFFFAOYSA-N 0 0 319.813 3.836 50 0 DHAARN COc1ccc(C(=O)NN=C/C(C)=C/c2ccccc2)cc1OC ZINC000015985901 563856716 /nfs/dbraw/zinc/85/67/16/563856716.db2.gz ALVVCWPXXOKABF-DGBHEGIHSA-N 0 0 324.380 3.523 50 0 DHAARN COc1cc(C2SCCS2)ccc1Oc1ncccn1 ZINC000012935606 563857649 /nfs/dbraw/zinc/85/76/49/563857649.db2.gz WVADZQDKNBSDRW-UHFFFAOYSA-N 0 0 306.412 3.756 50 0 DHAARN C[C@@H](OC(=O)c1cc2cc(F)ccc2s1)c1cnccn1 ZINC000075092157 563859297 /nfs/dbraw/zinc/85/92/97/563859297.db2.gz AMKLVMDKAKIFEN-SECBINFHSA-N 0 0 302.330 3.748 50 0 DHAARN CC[C@@H](NCc1cnc2c(C)cccn12)c1nc2ccccc2[nH]1 ZINC000075092228 563859317 /nfs/dbraw/zinc/85/93/17/563859317.db2.gz MURMDEJGUOSMLD-OAHLLOKOSA-N 0 0 319.412 3.760 50 0 DHAARN CC(C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2n2ccnc2)c1 ZINC000075092584 563859408 /nfs/dbraw/zinc/85/94/08/563859408.db2.gz ISZWEHJFPYQBLI-IAGOWNOFSA-N 0 0 312.417 3.922 50 0 DHAARN Cc1cnc([C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C2CC2)s1 ZINC000075147739 563860766 /nfs/dbraw/zinc/86/07/66/563860766.db2.gz JZKSVSIWHJJTRL-OWCLPIDISA-N 0 0 312.438 3.823 50 0 DHAARN Cc1ccnc(-c2ccc(NC(=O)/C=C/c3cscn3)cc2)n1 ZINC000075139113 563860963 /nfs/dbraw/zinc/86/09/63/563860963.db2.gz AEYGQYCLEVWQGX-VOTSOKGWSA-N 0 0 322.393 3.560 50 0 DHAARN COc1ccc([C@@H]2CCN(C(=O)NC3CCCCCC3)C2)cc1 ZINC000075166770 563861245 /nfs/dbraw/zinc/86/12/45/563861245.db2.gz JHCZPXJYAYIWSW-MRXNPFEDSA-N 0 0 316.445 3.917 50 0 DHAARN Cc1cc2c(cc1-c1ccnc3ncnn31)[C@@H](C)CC(C)(C)N2 ZINC000575473183 563861465 /nfs/dbraw/zinc/86/14/65/563861465.db2.gz LFBQWQCGYOJGRW-LBPRGKRZSA-N 0 0 307.401 3.797 50 0 DHAARN Cc1nc(C(C)C)oc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000339819596 563862242 /nfs/dbraw/zinc/86/22/42/563862242.db2.gz HDAWLUHMPGOGFT-UHFFFAOYSA-N 0 0 322.412 3.808 50 0 DHAARN CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Cl)=CN12 ZINC000075278346 563862344 /nfs/dbraw/zinc/86/23/44/563862344.db2.gz JNCYAQKUDUIVCV-UHFFFAOYSA-N 0 0 317.620 3.590 50 0 DHAARN O=C(OCc1ccccc1)c1c(O)cccc1-c1ccncc1 ZINC000075286080 563862646 /nfs/dbraw/zinc/86/26/46/563862646.db2.gz GVNBXBPEENVDII-UHFFFAOYSA-N 0 0 305.333 3.811 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)CCc2ccc(Cl)s2)on1 ZINC000053403035 563863211 /nfs/dbraw/zinc/86/32/11/563863211.db2.gz ZULYVTJNPZQEND-GFCCVEGCSA-N 0 0 324.833 3.994 50 0 DHAARN CCOC(=O)N(C)c1ccc(Nc2cnc3ccccc3n2)cc1 ZINC000053583769 563864318 /nfs/dbraw/zinc/86/43/18/563864318.db2.gz IAOCBFRPMJIKJA-UHFFFAOYSA-N 0 0 322.368 3.966 50 0 DHAARN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000117621430 563865347 /nfs/dbraw/zinc/86/53/47/563865347.db2.gz KHKRZNXLEBOTPC-SGTLLEGYSA-N 0 0 320.348 3.845 50 0 DHAARN Cc1nc(CC2CC2)sc1C(=O)N1CCc2ccc(F)cc21 ZINC000190599097 563867658 /nfs/dbraw/zinc/86/76/58/563867658.db2.gz ATDFCNPZOSRBJF-UHFFFAOYSA-N 0 0 316.401 3.746 50 0 DHAARN CCOC(=O)c1nc2ccccc2nc1N[C@@H](C)c1ccccc1 ZINC000035479366 563867878 /nfs/dbraw/zinc/86/78/78/563867878.db2.gz GFGZQEUNIPGZNF-ZDUSSCGKSA-N 0 0 321.380 3.980 50 0 DHAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000229787932 563871184 /nfs/dbraw/zinc/87/11/84/563871184.db2.gz XXNWHIRSFGRPSO-CEXWTWQISA-N 0 0 306.409 3.742 50 0 DHAARN CC(C)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 ZINC000012974068 563871543 /nfs/dbraw/zinc/87/15/43/563871543.db2.gz JJKROXLSBISSAP-UHFFFAOYSA-N 0 0 306.369 3.643 50 0 DHAARN CC1=CCC[C@@H](C)[C@@H]1CNc1ccccc1CS(C)(=O)=O ZINC000191083571 563871592 /nfs/dbraw/zinc/87/15/92/563871592.db2.gz JQBLVDPOGLBTLI-GDBMZVCRSA-N 0 0 307.459 3.636 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc2nsnc21 ZINC000001737161 563871597 /nfs/dbraw/zinc/87/15/97/563871597.db2.gz AKBREOYDSCCWEC-UHFFFAOYSA-N 0 0 304.762 3.989 50 0 DHAARN Cc1ccc(NC(C)(C)c2nnnn2-c2ccccc2C)cc1 ZINC000035622730 563872748 /nfs/dbraw/zinc/87/27/48/563872748.db2.gz FUIPVGPVLVEDGS-UHFFFAOYSA-N 0 0 307.401 3.626 50 0 DHAARN C[C@@H]1CCN(C(=O)Nc2ccc(F)cn2)[C@@H](c2ccco2)C1 ZINC000123012696 563873033 /nfs/dbraw/zinc/87/30/33/563873033.db2.gz VJRQJPQMAAWBHY-DGCLKSJQSA-N 0 0 303.337 3.819 50 0 DHAARN Cc1nnc(CN(Cc2ccccc2C(F)(F)F)C2CC2)o1 ZINC000052045777 563875013 /nfs/dbraw/zinc/87/50/13/563875013.db2.gz WDSQCJZMPIQHPZ-UHFFFAOYSA-N 0 0 311.307 3.561 50 0 DHAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1O ZINC000013005664 563875073 /nfs/dbraw/zinc/87/50/73/563875073.db2.gz OTENROQMULTMLI-NSHDSACASA-N 0 0 305.761 3.760 50 0 DHAARN CCOc1ccc(NC(=O)CCc2ccc3[nH]cnc3c2)cc1 ZINC000075478817 563876100 /nfs/dbraw/zinc/87/61/00/563876100.db2.gz NBABIDFFMWGLLH-UHFFFAOYSA-N 0 0 309.369 3.533 50 0 DHAARN COc1ccc(C(=O)Nc2cccc3cccnc32)c(OC)c1 ZINC000013011861 563876126 /nfs/dbraw/zinc/87/61/26/563876126.db2.gz JACBJEYAPLACIW-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN CC(C)c1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000013015682 563876704 /nfs/dbraw/zinc/87/67/04/563876704.db2.gz WYXQZOJHXOOGCJ-LJQANCHMSA-N 0 0 309.409 3.993 50 0 DHAARN O=C(C1CCCC1)N1CCC(c2cnn(-c3ccccc3)c2)CC1 ZINC000075500731 563877106 /nfs/dbraw/zinc/87/71/06/563877106.db2.gz UHRMTMYWQZFCGH-UHFFFAOYSA-N 0 0 323.440 3.769 50 0 DHAARN O=C(Nc1cccnc1Cl)c1ccc(Cl)nc1Cl ZINC000013625675 563877631 /nfs/dbraw/zinc/87/76/31/563877631.db2.gz QUWZRMCAESEJCW-UHFFFAOYSA-N 0 0 302.548 3.689 50 0 DHAARN Cc1ncc(Cl)c(C(=O)O[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)n1 ZINC000242047895 563881033 /nfs/dbraw/zinc/88/10/33/563881033.db2.gz VQYBXKRGCIRWHA-GOONRYMUSA-N 0 0 308.809 3.666 50 0 DHAARN COc1ccc(-c2nc3nc(-c4ccccc4)oc3c(=O)[nH]2)cc1 ZINC000053993887 563881935 /nfs/dbraw/zinc/88/19/35/563881935.db2.gz HXRROPDBVGGHTO-UHFFFAOYSA-N 0 0 319.320 3.666 50 0 DHAARN COc1ccc(NC(=O)CCc2cccc3[nH]ccc32)cc1OC ZINC000075550478 563883222 /nfs/dbraw/zinc/88/32/22/563883222.db2.gz QUYBKULZDUDWLW-UHFFFAOYSA-N 0 0 324.380 3.756 50 0 DHAARN CCn1ccc2ccc(CCC(=O)N[C@H](C)c3ccccn3)cc21 ZINC000075550810 563883887 /nfs/dbraw/zinc/88/38/87/563883887.db2.gz KZBJXEDNCOHHDP-OAHLLOKOSA-N 0 0 321.424 3.866 50 0 DHAARN CCc1nc2c(s1)[C@H](N(C)Cc1noc(C(C)C)n1)CCC2 ZINC000089295784 563884393 /nfs/dbraw/zinc/88/43/93/563884393.db2.gz JFBRBAYHUIHLTJ-GFCCVEGCSA-N 0 0 320.462 3.721 50 0 DHAARN CC[C@H]1COCCN1C(=O)c1oc2ccc(Cl)cc2c1C ZINC000075613136 563884870 /nfs/dbraw/zinc/88/48/70/563884870.db2.gz UYZFDJKHEDRPMU-LBPRGKRZSA-N 0 0 307.777 3.646 50 0 DHAARN Cc1ccc(Cc2cnc(NC(=O)N[C@@H](C)C3CC3)s2)cc1 ZINC000075572441 563884928 /nfs/dbraw/zinc/88/49/28/563884928.db2.gz DPTFWIGTXUVTOP-LBPRGKRZSA-N 0 0 315.442 3.962 50 0 DHAARN COCc1ccccc1NC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000075611667 563885030 /nfs/dbraw/zinc/88/50/30/563885030.db2.gz FNJQBVHDESXRTD-UHFFFAOYSA-N 0 0 320.418 3.626 50 0 DHAARN O=C(C[C@@H]1CCCN1C(=O)c1ccoc1Cl)c1cccs1 ZINC000192432843 563885554 /nfs/dbraw/zinc/88/55/54/563885554.db2.gz DRHKREIXQZYFBB-JTQLQIEISA-N 0 0 323.801 3.872 50 0 DHAARN CC(C)Oc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 ZINC000000463082 563887261 /nfs/dbraw/zinc/88/72/61/563887261.db2.gz LCVIERINSCJDHL-UHFFFAOYSA-N 0 0 324.332 3.799 50 0 biogenic DHAARN Cc1ccc(NN=C2Sc3nc4ccccc4n3C2=O)cc1 ZINC000252602949 563887478 /nfs/dbraw/zinc/88/74/78/563887478.db2.gz FMVGLVWOZAGBEO-UHFFFAOYSA-N 0 0 308.366 3.516 50 0 DHAARN CCCN(CCC)C(=O)CCN(C(=O)c1ccoc1)[C@H](C)CC ZINC000035809121 563887946 /nfs/dbraw/zinc/88/79/46/563887946.db2.gz QWDYZMJVUUOQSG-OAHLLOKOSA-N 0 0 322.449 3.559 50 0 DHAARN c1ccc2c(c1)[nH]c1c2ncnc1N1CCc2ccccc2C1 ZINC000006504001 563888792 /nfs/dbraw/zinc/88/87/92/563888792.db2.gz LSBGYWOQKNFBPD-UHFFFAOYSA-N 0 0 300.365 3.674 50 0 biogenic DHAARN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1nnc3ccccn31)CCCO2 ZINC000089511349 563888861 /nfs/dbraw/zinc/88/88/61/563888861.db2.gz XCECHDUKHFCYOY-ZBFHGGJFSA-N 0 0 322.412 3.602 50 0 DHAARN O=C(CNc1ccccc1F)Nc1ccc(Br)cc1 ZINC000007972113 563890271 /nfs/dbraw/zinc/89/02/71/563890271.db2.gz MPYDGQHLMFVONC-UHFFFAOYSA-N 0 0 323.165 3.639 50 0 DHAARN Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1 ZINC000089530053 563890860 /nfs/dbraw/zinc/89/08/60/563890860.db2.gz FQIZTYCOQDINSQ-UHFFFAOYSA-N 0 0 311.385 3.585 50 0 DHAARN CCOC(=O)N(C)c1ccc(NC(=O)c2cccs2)cc1 ZINC000054313156 563891270 /nfs/dbraw/zinc/89/12/70/563891270.db2.gz MMAZFMGXGICJRH-UHFFFAOYSA-N 0 0 304.371 3.593 50 0 DHAARN Cc1ncccc1-n1cccc1C(=O)NCCCc1ccccc1 ZINC000064658862 563891664 /nfs/dbraw/zinc/89/16/64/563891664.db2.gz IOICGKPXFSOVRC-UHFFFAOYSA-N 0 0 319.408 3.543 50 0 DHAARN C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000036077116 563892128 /nfs/dbraw/zinc/89/21/28/563892128.db2.gz BYWOVHMCLUFGFJ-INIZCTEOSA-N 0 0 308.425 3.568 50 0 DHAARN O=C(c1ccccc1)N1CC(OCc2ccc(F)cc2Cl)C1 ZINC000064666136 563892398 /nfs/dbraw/zinc/89/23/98/563892398.db2.gz PTONCOPXQRSQNM-UHFFFAOYSA-N 0 0 319.763 3.520 50 0 DHAARN CC(C)OC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000064666512 563892409 /nfs/dbraw/zinc/89/24/09/563892409.db2.gz DLMXYCUCNZICED-UHFFFAOYSA-N 0 0 307.349 3.556 50 0 DHAARN CCn1cnc2ccc(-c3noc(-c4ccccc4OC)n3)cc21 ZINC000064759493 563893178 /nfs/dbraw/zinc/89/31/78/563893178.db2.gz HOJASDZWUSJVHF-UHFFFAOYSA-N 0 0 320.352 3.782 50 0 DHAARN CCc1cccc(NC(=O)c2cc(C(C)C)n3nccc3n2)c1 ZINC000064760721 563893728 /nfs/dbraw/zinc/89/37/28/563893728.db2.gz TXJFDKCNWVFARY-UHFFFAOYSA-N 0 0 308.385 3.667 50 0 DHAARN Cc1cc(C[S@@](=O)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000064811364 563894133 /nfs/dbraw/zinc/89/41/33/563894133.db2.gz NXJUCWJZEXYEQO-GOSISDBHSA-N 0 0 304.198 3.739 50 0 DHAARN Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1 ZINC000036140918 563894178 /nfs/dbraw/zinc/89/41/78/563894178.db2.gz CORNMCLAYHZGFD-UHFFFAOYSA-N 0 0 308.381 3.683 50 0 DHAARN O=C(Nc1ccccc1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000036315787 563895078 /nfs/dbraw/zinc/89/50/78/563895078.db2.gz CVNYRFKQKIUBDS-SFHVURJKSA-N 0 0 310.397 3.900 50 0 DHAARN CC(C)COc1ccccc1[C@H]1CC(=O)Nc2nc(N)sc21 ZINC000036360610 563896301 /nfs/dbraw/zinc/89/63/01/563896301.db2.gz RJSXUSRUDYWTAQ-LLVKDONJSA-N 0 0 317.414 3.884 50 0 DHAARN O=c1c2ccc(F)cc2ncn1Cc1ccc2ccccc2c1 ZINC000036359641 563896373 /nfs/dbraw/zinc/89/63/73/563896373.db2.gz SGGDGPWWXSMWHF-UHFFFAOYSA-N 0 0 304.324 3.737 50 0 DHAARN COc1ccc(NC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)cc1 ZINC000006842752 563896728 /nfs/dbraw/zinc/89/67/28/563896728.db2.gz AKFNNLVIHOTQAO-CYBMUJFWSA-N 0 0 312.369 3.823 50 0 DHAARN Fc1ccc(Cl)cc1-c1nnc2sc(-c3ccco3)nn21 ZINC000036367110 563896730 /nfs/dbraw/zinc/89/67/30/563896730.db2.gz PKPXBRLYTBTEAO-UHFFFAOYSA-N 0 0 320.736 3.905 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@H]3CCCC[C@@H]3C)c2c1 ZINC000006866221 563897362 /nfs/dbraw/zinc/89/73/62/563897362.db2.gz VUXXHRUEGZWTPI-JSGCOSHPSA-N 0 0 301.390 3.514 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCc2noc3ccc(C)cc23)c1 ZINC000006866213 563897450 /nfs/dbraw/zinc/89/74/50/563897450.db2.gz SELGXQYHBYZOLP-UHFFFAOYSA-N 0 0 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322.408 3.817 50 0 DHAARN O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000007254605 563904801 /nfs/dbraw/zinc/90/48/01/563904801.db2.gz AYQGGNCZVCYWNL-UHFFFAOYSA-N 0 0 312.756 3.883 50 0 DHAARN CCOc1ccccc1NC(=O)c1ccc(OC)c(OCC)c1 ZINC000007310725 563905173 /nfs/dbraw/zinc/90/51/73/563905173.db2.gz CWBYZAJQUJZWES-UHFFFAOYSA-N 0 0 315.369 3.745 50 0 DHAARN Cc1[nH]c(C(=O)Nc2ccc(C)cc2)c(C)c1C(=O)OC(C)C ZINC000007400670 563905746 /nfs/dbraw/zinc/90/57/46/563905746.db2.gz BMLMBEVSZKASIB-UHFFFAOYSA-N 0 0 314.385 3.757 50 0 DHAARN Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000037149125 563906329 /nfs/dbraw/zinc/90/63/29/563906329.db2.gz BIXHFJIAZGGUMY-GOSISDBHSA-N 0 0 309.409 3.828 50 0 DHAARN Cc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)c1 ZINC000007433542 563906351 /nfs/dbraw/zinc/90/63/51/563906351.db2.gz UCEARFWKFIRRQX-UHFFFAOYSA-N 0 0 308.337 3.615 50 0 DHAARN Cc1ccc(C(=O)OCc2cc(-c3ccccc3)on2)c(O)c1 ZINC000007485147 563906767 /nfs/dbraw/zinc/90/67/67/563906767.db2.gz WBQXTDVNUUDKPJ-UHFFFAOYSA-N 0 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O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc[nH]1 ZINC000007652857 563917752 /nfs/dbraw/zinc/91/77/52/563917752.db2.gz KLZMAVQRLVEANY-UHFFFAOYSA-N 0 0 323.323 3.647 50 0 DHAARN Cc1cnc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cn1 ZINC000007670817 563917837 /nfs/dbraw/zinc/91/78/37/563917837.db2.gz HYDOZIGHSAFQNN-UHFFFAOYSA-N 0 0 320.377 3.800 50 0 DHAARN CC1CCN(C(=O)c2cc3sccc3n2CC2CC2)CC1 ZINC000037526452 563918337 /nfs/dbraw/zinc/91/83/37/563918337.db2.gz XCFWHVOHAOMGLS-UHFFFAOYSA-N 0 0 302.443 3.985 50 0 DHAARN O=C(NCc1ccccc1F)c1c2c(nc3ccccc31)CCC2 ZINC000007755730 563918668 /nfs/dbraw/zinc/91/86/68/563918668.db2.gz GXSDSZWSFTWUFT-UHFFFAOYSA-N 0 0 320.367 3.793 50 0 DHAARN Cc1cc(CSc2nnc(-c3cc(C)cc(C)c3)o2)no1 ZINC000007743943 563918706 /nfs/dbraw/zinc/91/87/06/563918706.db2.gz MDCZQGOJTCGNCM-UHFFFAOYSA-N 0 0 301.371 3.942 50 0 DHAARN CC1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000007779375 563919081 /nfs/dbraw/zinc/91/90/81/563919081.db2.gz SYNRDBZAAHJPMN-UHFFFAOYSA-N 0 0 321.364 3.562 50 0 DHAARN COc1ccc(C[S@@](=O)CC[C@@H]2CCCCO2)cc1Cl ZINC000195579625 563919790 /nfs/dbraw/zinc/91/97/90/563919790.db2.gz PDQYDVYDEVFPCF-RBZFPXEDSA-N 0 0 316.850 3.557 50 0 DHAARN Cc1nc(CC(C)C)oc1C(=O)N(CC(F)(F)F)C(C)C ZINC000195579121 563919829 /nfs/dbraw/zinc/91/98/29/563919829.db2.gz XSHICFNILRCVMA-UHFFFAOYSA-N 0 0 306.328 3.594 50 0 DHAARN Cc1ccc(C)c(COC(=O)CCCNC(=O)OC(C)(C)C)c1 ZINC000007828689 563919899 /nfs/dbraw/zinc/91/98/99/563919899.db2.gz KFFHGIDHFZIADW-UHFFFAOYSA-N 0 0 321.417 3.652 50 0 DHAARN Cc1ccc2[nH]c(SCC(=O)NC3CCCCCC3)nc2c1 ZINC000002226912 563920160 /nfs/dbraw/zinc/92/01/60/563920160.db2.gz CFDDBWZJBUVQPC-UHFFFAOYSA-N 0 0 317.458 3.802 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccccc2)cc1 ZINC000001981083 563920478 /nfs/dbraw/zinc/92/04/78/563920478.db2.gz FWIRVBAPKSAUOB-NRMKIYEFSA-N 0 0 309.365 3.579 50 0 DHAARN Cc1ccc(CNC(=O)CSCc2ccccc2F)cc1 ZINC000000260361 563920576 /nfs/dbraw/zinc/92/05/76/563920576.db2.gz AQASQCVJEFBVPO-UHFFFAOYSA-N 0 0 303.402 3.684 50 0 DHAARN CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC ZINC000000217438 563920661 /nfs/dbraw/zinc/92/06/61/563920661.db2.gz HSACPABJEOOYJH-UHFFFAOYSA-N 0 0 319.408 3.685 50 0 DHAARN O=S(=O)(c1ccc(F)cc1)N(Cc1ccco1)C1CCCC1 ZINC000054830488 563920840 /nfs/dbraw/zinc/92/08/40/563920840.db2.gz LYGAFTOIYAUJPD-UHFFFAOYSA-N 0 0 323.389 3.552 50 0 DHAARN CC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2onc(C)c21 ZINC000013642108 563920895 /nfs/dbraw/zinc/92/08/95/563920895.db2.gz IDQFRXRRAROLEQ-SECBINFHSA-N 0 0 315.398 3.788 50 0 DHAARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000016890020 563923722 /nfs/dbraw/zinc/92/37/22/563923722.db2.gz CHNXZKVNWQUJIB-PZAQWVNCSA-N 0 0 312.453 3.883 50 0 biogenic DHAARN O=C(CCn1cnc2ccccc21)N1CCC[C@@H]1c1ccccc1 ZINC000029981043 563923825 /nfs/dbraw/zinc/92/38/25/563923825.db2.gz UCAFJPULLXJFPT-GOSISDBHSA-N 0 0 319.408 3.790 50 0 DHAARN CC(C)(C)c1cc2nnc(-c3ccccc3F)n2nc1Cl ZINC000038304528 563923884 /nfs/dbraw/zinc/92/38/84/563923884.db2.gz KXRSWXZVHQRQTP-UHFFFAOYSA-N 0 0 304.756 3.881 50 0 DHAARN CCCO[C@H]1CCCN(C(=O)Nc2ccccc2SC)C1 ZINC000067662276 563924077 /nfs/dbraw/zinc/92/40/77/563924077.db2.gz FRWDOWHEWWKFBR-ZDUSSCGKSA-N 0 0 308.447 3.831 50 0 DHAARN C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc2ncoc2c1 ZINC000253416500 563925027 /nfs/dbraw/zinc/92/50/27/563925027.db2.gz JBDSEZSNDGCSBJ-NSHDSACASA-N 0 0 300.383 3.593 50 0 DHAARN C[C@@H](OC(=O)c1cc2nc[nH]c2cc1F)c1cccc(F)c1 ZINC000253424588 563925079 /nfs/dbraw/zinc/92/50/79/563925079.db2.gz IDXDLUZWAAMIEE-SECBINFHSA-N 0 0 302.280 3.759 50 0 DHAARN CC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@@H]3CCCC[C@H]23)n1 ZINC000253417275 563925107 /nfs/dbraw/zinc/92/51/07/563925107.db2.gz VMQWVBGWXWHJGD-MELADBBJSA-N 0 0 305.422 3.515 50 0 DHAARN C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NC1(C2CC2)CC1 ZINC000584884455 563925300 /nfs/dbraw/zinc/92/53/00/563925300.db2.gz AHQNBSVJCUYLJT-ZDUSSCGKSA-N 0 0 324.428 3.722 50 0 DHAARN CC(=O)N(Cc1ccncc1)c1ccc(F)c(Br)c1 ZINC000253430549 563925337 /nfs/dbraw/zinc/92/53/37/563925337.db2.gz RBTWNINIQAMFAS-UHFFFAOYSA-N 0 0 323.165 3.536 50 0 DHAARN CCCC[C@@H](c1cccnc1)n1cnc2c(C)csc2c1=O ZINC000584899102 563925566 /nfs/dbraw/zinc/92/55/66/563925566.db2.gz CLJVOWBCTWTTOS-AWEZNQCLSA-N 0 0 313.426 3.941 50 0 DHAARN OCCCn1nc(Cc2cccc(Cl)c2)nc1C1CCCC1 ZINC000584900829 563925613 /nfs/dbraw/zinc/92/56/13/563925613.db2.gz MJVIPLMCQXSBJV-UHFFFAOYSA-N 0 0 319.836 3.562 50 0 DHAARN CCC[C@@H]1C[C@@H]1NC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000253432285 563925729 /nfs/dbraw/zinc/92/57/29/563925729.db2.gz YGEJMWQYOBRISW-OCCSQVGLSA-N 0 0 315.335 3.823 50 0 DHAARN CCCOc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 ZINC000002317834 563925792 /nfs/dbraw/zinc/92/57/92/563925792.db2.gz RLQVILNJVXTFSV-SDNWHVSQSA-N 0 0 313.378 3.881 50 0 DHAARN CC(C)CC[C@@H](C[C@@H](C)O)C1N=NC(=S)N1c1ccccc1 ZINC000002303647 563925840 /nfs/dbraw/zinc/92/58/40/563925840.db2.gz UTESJULFGYSALG-KGLIPLIRSA-N 0 0 319.474 3.847 50 0 DHAARN C[C@@H]1CC2(CCCCCC2)N2C(=O)C(=O)c3cc(F)cc1c32 ZINC000253495789 563926406 /nfs/dbraw/zinc/92/64/06/563926406.db2.gz QXMNVYBDFWEKIF-LLVKDONJSA-N 0 0 301.361 3.955 50 0 DHAARN O=C(Nc1c(Cl)cccc1Cl)[C@H]1COc2ccccc2O1 ZINC000002358351 563927256 /nfs/dbraw/zinc/92/72/56/563927256.db2.gz URPDBNAKKXGUEG-CYBMUJFWSA-N 0 0 324.163 3.772 50 0 DHAARN CC(C)(C)n1nccc1NC(=O)c1cc(F)cc2cccnc21 ZINC000225449672 563928187 /nfs/dbraw/zinc/92/81/87/563928187.db2.gz WXZMQHRRQHRTCT-UHFFFAOYSA-N 0 0 312.348 3.578 50 0 DHAARN Cc1ccc2cc(CNc3ccn(CC(F)F)n3)ccc2n1 ZINC000225464693 563928319 /nfs/dbraw/zinc/92/83/19/563928319.db2.gz RIZKOUUCQFLHDI-UHFFFAOYSA-N 0 0 302.328 3.617 50 0 DHAARN NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002425399 563928363 /nfs/dbraw/zinc/92/83/63/563928363.db2.gz VHHIHHVAYBAKCT-UHFFFAOYSA-N 0 0 318.201 3.665 50 0 DHAARN Cc1ccc2cc(CNc3cccc([S@@](C)=O)c3)ccc2n1 ZINC000225465109 563928414 /nfs/dbraw/zinc/92/84/14/563928414.db2.gz JTAKZDHKJIUAPG-JOCHJYFZSA-N 0 0 310.422 3.893 50 0 DHAARN O=C(NCCCCC(F)(F)F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000225502318 563928888 /nfs/dbraw/zinc/92/88/88/563928888.db2.gz FMPQBXJYCMWBPG-GOEBONIOSA-N 0 0 311.347 3.739 50 0 DHAARN Cc1sc2[nH]c([C@H](C)N3C[C@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000013068407 563929251 /nfs/dbraw/zinc/92/92/51/563929251.db2.gz KOUMTNYUKLAYJE-UMNHJUIQSA-N 0 0 319.474 3.640 50 0 DHAARN CC[C@@H](C)NS(=O)(=O)c1cc(-c2csc(C)n2)ccc1C ZINC000013357837 563929432 /nfs/dbraw/zinc/92/94/32/563929432.db2.gz RFGYPXKGHZKKPT-LLVKDONJSA-N 0 0 324.471 3.504 50 0 DHAARN O=C(Nc1ccc(CCO)cc1)c1ccc(SC(F)F)cc1 ZINC000078732938 563929898 /nfs/dbraw/zinc/92/98/98/563929898.db2.gz SLIXBAOWLRDSRF-UHFFFAOYSA-N 0 0 323.364 3.788 50 0 DHAARN Cc1noc(Cl)c1CC(=O)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000078712960 563929958 /nfs/dbraw/zinc/92/99/58/563929958.db2.gz PGOJPLFVTXCCIS-OAHLLOKOSA-N 0 0 322.767 3.586 50 0 DHAARN O=C(OCc1ccccn1)c1ncoc1-c1ccccc1Cl ZINC000078876907 563930107 /nfs/dbraw/zinc/93/01/07/563930107.db2.gz MAZSIJBRLBLDLP-UHFFFAOYSA-N 0 0 314.728 3.747 50 0 DHAARN Cc1cccn2cc(C[S@](=O)[C@@H](C)c3cccs3)nc12 ZINC000079053184 563930350 /nfs/dbraw/zinc/93/03/50/563930350.db2.gz IWDPCBFQZWROMG-FKIZINRSSA-N 0 0 304.440 3.714 50 0 DHAARN O=C(NCc1ncc(-c2ccccc2)o1)C1(c2ccccc2)CC1 ZINC000079717548 563930627 /nfs/dbraw/zinc/93/06/27/563930627.db2.gz DLIZZUCSBZQKAK-UHFFFAOYSA-N 0 0 318.376 3.690 50 0 DHAARN O=C(NCCCc1cc2ccccc2o1)c1cc(C2CC2)on1 ZINC000390830982 563930819 /nfs/dbraw/zinc/93/08/19/563930819.db2.gz OTCKXRRTBWQFKF-UHFFFAOYSA-N 0 0 310.353 3.661 50 0 DHAARN CC(=O)c1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)n(C)c1 ZINC000095369232 563931057 /nfs/dbraw/zinc/93/10/57/563931057.db2.gz CBYLMLUYCJMXFZ-UHFFFAOYSA-N 0 0 319.364 3.542 50 0 DHAARN CN(C(=O)Nc1ccccn1)[C@H](c1ccccc1)c1ccccn1 ZINC000095352091 563931203 /nfs/dbraw/zinc/93/12/03/563931203.db2.gz FLQNHGQSWWWCDV-GOSISDBHSA-N 0 0 318.380 3.730 50 0 DHAARN Cc1ccc(-c2c(=O)c(=O)c2N(C)[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000020509305 563931575 /nfs/dbraw/zinc/93/15/75/563931575.db2.gz UZMMIUKEIGKGBB-SQWLQELKSA-N 0 0 311.425 3.519 50 0 DHAARN Cc1nc2c(cccc2C(=O)N(CC(F)(F)F)C2CCC2)o1 ZINC000280625550 563931708 /nfs/dbraw/zinc/93/17/08/563931708.db2.gz YNHYIIJBWPXHHD-UHFFFAOYSA-N 0 0 312.291 3.693 50 0 DHAARN C[C@@]1(CCCO)CCCN1C(=O)c1ccc(F)c2ccccc12 ZINC000280433807 563931730 /nfs/dbraw/zinc/93/17/30/563931730.db2.gz AFXDVGTZGHCIGA-IBGZPJMESA-N 0 0 315.388 3.746 50 0 DHAARN C[C@@H]1C[C@H]1[C@H](NC(=O)N(C)Cc1nccs1)c1ccccc1 ZINC000080695355 563931759 /nfs/dbraw/zinc/93/17/59/563931759.db2.gz LSQSKXJBKGWEGH-XNRPHZJLSA-N 0 0 315.442 3.682 50 0 DHAARN O=C(Nc1cccc(F)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000020860591 563931826 /nfs/dbraw/zinc/93/18/26/563931826.db2.gz UFUTUEYNYNLQHY-OAHLLOKOSA-N 0 0 311.360 3.847 50 0 DHAARN CCCn1cc(NC(=O)Nc2ccnn2[C@H](C)CC(C)C)cn1 ZINC000095942253 563931943 /nfs/dbraw/zinc/93/19/43/563931943.db2.gz BQSQHKBEBBLVAQ-CYBMUJFWSA-N 0 0 318.425 3.741 50 0 DHAARN FC(F)(F)c1nnc(NCc2cnc3ccsc3c2)s1 ZINC000095939354 563932045 /nfs/dbraw/zinc/93/20/45/563932045.db2.gz SYDWLLPGVUQDSI-UHFFFAOYSA-N 0 0 316.333 3.779 50 0 DHAARN S=C(SCc1cn2cc(Cl)ccc2n1)N1CCCC1 ZINC000095947479 563932172 /nfs/dbraw/zinc/93/21/72/563932172.db2.gz YJZPEZJPSJWHDN-UHFFFAOYSA-N 0 0 311.863 3.602 50 0 DHAARN CCOc1ccc(CCC2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000095956463 563932352 /nfs/dbraw/zinc/93/23/52/563932352.db2.gz ZRDRGPWAJHABPR-UHFFFAOYSA-N 0 0 313.445 3.653 50 0 DHAARN COc1ccc(Br)c(NCc2nccn2C(C)C)c1 ZINC000095965282 563932696 /nfs/dbraw/zinc/93/26/96/563932696.db2.gz VMXWJSVNEBFIBA-UHFFFAOYSA-N 0 0 324.222 3.847 50 0 DHAARN CCC(CC)n1ccc(C(=O)Nc2ccnn2C2CCCC2)n1 ZINC000095971874 563933389 /nfs/dbraw/zinc/93/33/89/563933389.db2.gz PAUNJAUTUDJOCG-UHFFFAOYSA-N 0 0 315.421 3.808 50 0 DHAARN Cc1ccc2oc(C(=O)N3C[C@@H](C)Oc4ncccc43)cc2c1 ZINC000095973371 563933583 /nfs/dbraw/zinc/93/35/83/563933583.db2.gz JYHIIHKNMOEYDV-GFCCVEGCSA-N 0 0 308.337 3.564 50 0 DHAARN CCS[C@H]1CC[C@H](N(C)C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000095979109 563933595 /nfs/dbraw/zinc/93/35/95/563933595.db2.gz IQKCPKRVDUUXCB-STQMWFEESA-N 0 0 309.479 3.588 50 0 DHAARN Cc1nnc2ccc(N[C@H]3c4ccccc4CCC3(C)C)nn12 ZINC000095973100 563933603 /nfs/dbraw/zinc/93/36/03/563933603.db2.gz UCDDPCQCIYJFIT-KRWDZBQOSA-N 0 0 307.401 3.558 50 0 DHAARN C[C@@H](CNC(=O)c1cc2occc2[nH]1)Sc1ccccc1 ZINC000095972815 563933626 /nfs/dbraw/zinc/93/36/26/563933626.db2.gz YTAQPJPPUXSLQE-NSHDSACASA-N 0 0 300.383 3.672 50 0 DHAARN Cc1c(O)cccc1C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000095979034 563933658 /nfs/dbraw/zinc/93/36/58/563933658.db2.gz WGFINHDFYIKBFC-VOJFVSQTSA-N 0 0 313.372 3.893 50 0 DHAARN c1c[nH]c(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)n1 ZINC000095981740 563933846 /nfs/dbraw/zinc/93/38/46/563933846.db2.gz BXHVPGTVEDGWSF-UHFFFAOYSA-N 0 0 304.397 3.636 50 0 DHAARN Cc1nc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)oc1C ZINC000095985847 563934095 /nfs/dbraw/zinc/93/40/95/563934095.db2.gz SVEOUDOGLXPINF-WBVHZDCISA-N 0 0 300.402 3.549 50 0 DHAARN OCCOc1ccccc1OCc1cc2ccccc2s1 ZINC000096006453 563934572 /nfs/dbraw/zinc/93/45/72/563934572.db2.gz OHPOZZMNPBEJBJ-UHFFFAOYSA-N 0 0 300.379 3.851 50 0 DHAARN Cc1ccc(-c2noc(C[C@@](C)(O)c3ccccc3)n2)cc1F ZINC000096003505 563934727 /nfs/dbraw/zinc/93/47/27/563934727.db2.gz GQNVNBLHJNZIAA-GOSISDBHSA-N 0 0 312.344 3.634 50 0 DHAARN CCC(CC)(CC(=O)OC)NC(=O)Nc1c(C)cc(C)cc1C ZINC000096013167 563934941 /nfs/dbraw/zinc/93/49/41/563934941.db2.gz QSRMVLUVYAJFQI-UHFFFAOYSA-N 0 0 320.433 3.855 50 0 DHAARN COc1ccc(-c2csc3c2ncn(C(C)C)c3=O)cc1 ZINC000021356585 563935341 /nfs/dbraw/zinc/93/53/41/563935341.db2.gz NVWMQSBOKQTGLZ-UHFFFAOYSA-N 0 0 300.383 3.715 50 0 DHAARN CO[C@@H](CNC(=O)/C=C/c1ccsc1)c1ccccc1C ZINC000096105013 563935506 /nfs/dbraw/zinc/93/55/06/563935506.db2.gz WTUWGNNOGMYZEB-WAVCKPEOSA-N 0 0 301.411 3.574 50 0 DHAARN CO[C@H]1CCCN(c2ccc(NC(=O)c3ccsc3)cc2)C1 ZINC000096122421 563935603 /nfs/dbraw/zinc/93/56/03/563935603.db2.gz WBLFOWFIALDSIN-INIZCTEOSA-N 0 0 316.426 3.616 50 0 DHAARN COC(=O)c1cnc(/C=C\c2cnc(-c3ccccc3)nc2)s1 ZINC000096189877 563935866 /nfs/dbraw/zinc/93/58/66/563935866.db2.gz WRKVZYIJJXWJTE-FPLPWBNLSA-N 0 0 323.377 3.557 50 0 DHAARN CCn1cc(NC(=O)c2ccc(Oc3cccc(F)c3)o2)cn1 ZINC000096183901 563935877 /nfs/dbraw/zinc/93/58/77/563935877.db2.gz RFTUHUGGPAXNOA-UHFFFAOYSA-N 0 0 315.304 3.680 50 0 DHAARN C[C@@H]1CCCCN1C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000096192877 563936037 /nfs/dbraw/zinc/93/60/37/563936037.db2.gz ILIJXMPPEXVRII-PXAZEXFGSA-N 0 0 320.820 3.624 50 0 DHAARN CC(C)[C@H](NC(=O)c1cccs1)c1nc(-c2ccco2)no1 ZINC000096292989 563936216 /nfs/dbraw/zinc/93/62/16/563936216.db2.gz QHIBBDGAVJZLQU-LBPRGKRZSA-N 0 0 317.370 3.518 50 0 DHAARN O=C(/C=C\c1ccco1)Nc1ccc(NC2CCOCC2)cc1 ZINC000096292662 563936231 /nfs/dbraw/zinc/93/62/31/563936231.db2.gz OAGZUHPTODKBHL-FPLPWBNLSA-N 0 0 312.369 3.522 50 0 DHAARN O=C1C[C@@H](c2cccc(C(F)(F)F)c2)c2ccc(O)cc2N1 ZINC000096335750 563936323 /nfs/dbraw/zinc/93/63/23/563936323.db2.gz XSWHIGUGLJQECZ-ZDUSSCGKSA-N 0 0 307.271 3.885 50 0 DHAARN c1coc(-c2nc3nccc(-c4cc5ccccc5o4)n3n2)c1 ZINC000096345055 563936437 /nfs/dbraw/zinc/93/64/37/563936437.db2.gz NCICVMMBLLOUDU-UHFFFAOYSA-N 0 0 302.293 3.798 50 0 DHAARN CC[C@@](CNC(=O)c1cc2ccccc2[nH]1)(OC)c1ccccc1 ZINC000096391589 563936444 /nfs/dbraw/zinc/93/64/44/563936444.db2.gz DOAZKNPYEGYOSQ-FQEVSTJZSA-N 0 0 322.408 3.850 50 0 DHAARN COc1ccc(C(=O)Nc2nc(-c3ccsc3)ns2)cc1 ZINC000096346152 563936455 /nfs/dbraw/zinc/93/64/55/563936455.db2.gz VTYNWGWSUZCKHI-UHFFFAOYSA-N 0 0 317.395 3.528 50 0 DHAARN O=C(NCCCn1ccc2cccnc21)c1ccc(Cl)s1 ZINC000096353465 563936502 /nfs/dbraw/zinc/93/65/02/563936502.db2.gz HXXGTZCVWKGMDI-UHFFFAOYSA-N 0 0 319.817 3.571 50 0 DHAARN CO[C@@](C)(CNC(=O)/C=C/c1ccoc1)c1cccc(Cl)c1 ZINC000096392757 563936538 /nfs/dbraw/zinc/93/65/38/563936538.db2.gz ZAFWJNMVZVOTNQ-LXXRFIIISA-N 0 0 319.788 3.624 50 0 DHAARN Cc1nc(C[S@](=O)Cc2cccc(OC(F)F)c2)cs1 ZINC000096404416 563936586 /nfs/dbraw/zinc/93/65/86/563936586.db2.gz IFCOBRDAFTVZKA-FQEVSTJZSA-N 0 0 317.382 3.502 50 0 DHAARN O=C(/C=C\c1cccc(F)c1)NCc1ccccc1N1CCCC1 ZINC000096401824 563936686 /nfs/dbraw/zinc/93/66/86/563936686.db2.gz HWZHVVJLJQBORI-KHPPLWFESA-N 0 0 324.399 3.756 50 0 DHAARN O=C(c1ncoc1[C@H]1CCCO1)N1CCC2(CCCCC2)CC1 ZINC000096406286 563936765 /nfs/dbraw/zinc/93/67/65/563936765.db2.gz XLILIRPVYWLMLU-CQSZACIVSA-N 0 0 318.417 3.713 50 0 DHAARN C[C@@H](CC(=O)N(C)Cc1cccc(O)c1)c1cccc(F)c1 ZINC000096407828 563936782 /nfs/dbraw/zinc/93/67/82/563936782.db2.gz XFQJMKYZJYBPFU-ZDUSSCGKSA-N 0 0 301.361 3.684 50 0 DHAARN COC(=O)C[C@H](C)Sc1nc(C(F)F)nc2ccccc21 ZINC000096406553 563936819 /nfs/dbraw/zinc/93/68/19/563936819.db2.gz SYGCCGLAESFAPS-QMMMGPOBSA-N 0 0 312.341 3.611 50 0 DHAARN CSc1ccccc1NC(=O)Nc1cnn(CC(F)F)c1 ZINC000096444531 563936964 /nfs/dbraw/zinc/93/69/64/563936964.db2.gz WYWCIVHXKXEXNV-UHFFFAOYSA-N 0 0 312.345 3.514 50 0 DHAARN Fc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)cc1 ZINC000096462686 563937112 /nfs/dbraw/zinc/93/71/12/563937112.db2.gz LDSOIKJXDQTDIT-GFCCVEGCSA-N 0 0 302.349 3.573 50 0 DHAARN Cc1nc(N2CCCC2)ccc1N[C@H](C)c1ccc(F)cn1 ZINC000097038347 563937647 /nfs/dbraw/zinc/93/76/47/563937647.db2.gz DYDFLPAFQNLDAJ-GFCCVEGCSA-N 0 0 300.381 3.697 50 0 DHAARN Cn1cnnc1SCc1nc(-c2c(F)cccc2F)cs1 ZINC000097107161 563937809 /nfs/dbraw/zinc/93/78/09/563937809.db2.gz SCCIWJZLYDNVDN-UHFFFAOYSA-N 0 0 324.381 3.509 50 0 DHAARN Cc1ccsc1C(=O)Nc1cnn(Cc2ccccc2C)c1 ZINC000027920355 563937995 /nfs/dbraw/zinc/93/79/95/563937995.db2.gz KKOUREXRLIZGCM-UHFFFAOYSA-N 0 0 311.410 3.862 50 0 DHAARN CC(=O)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 ZINC000027914032 563938065 /nfs/dbraw/zinc/93/80/65/563938065.db2.gz AKUMTYXPQFDXRZ-UHFFFAOYSA-N 0 0 313.357 3.970 50 0 DHAARN CCCN(C(=O)c1ccco1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000225717650 563938461 /nfs/dbraw/zinc/93/84/61/563938461.db2.gz PBXFAUAPCDDNBC-AWEZNQCLSA-N 0 0 314.385 3.549 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ncccc1OCC(F)F ZINC000225733083 563938468 /nfs/dbraw/zinc/93/84/68/563938468.db2.gz YINPDNCSKXCHSU-LBPRGKRZSA-N 0 0 320.339 3.559 50 0 DHAARN COc1ccc(-c2ccc(C)c(NC(=O)c3cc(C)no3)c2)cn1 ZINC000225762134 563938649 /nfs/dbraw/zinc/93/86/49/563938649.db2.gz KTLPHSIUTOURCK-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN O=C(C1=CCCC1)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000299794504 563938784 /nfs/dbraw/zinc/93/87/84/563938784.db2.gz JRDWIKZOMSHSNG-UHFFFAOYSA-N 0 0 321.424 3.893 50 0 DHAARN Cc1coc(C)c1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000225809813 563938862 /nfs/dbraw/zinc/93/88/62/563938862.db2.gz JWOFBEWYQLXDBA-UHFFFAOYSA-N 0 0 312.394 3.950 50 0 DHAARN COc1ccc2[nH]cc(C3CCN(C(=O)C(C)C)CC3)c2c1 ZINC000055680244 563938912 /nfs/dbraw/zinc/93/89/12/563938912.db2.gz HAKGRLKCKQAPBP-UHFFFAOYSA-N 0 0 300.402 3.539 50 0 DHAARN Cc1ccccc1Cn1cc(NC(=O)NC2CCCCC2)cn1 ZINC000028229868 563939050 /nfs/dbraw/zinc/93/90/50/563939050.db2.gz DHXJCIMAECIIQS-UHFFFAOYSA-N 0 0 312.417 3.694 50 0 DHAARN Cn1c2ccccc2nc1NC(=O)CCc1ccc(Cl)cc1 ZINC000028244581 563939197 /nfs/dbraw/zinc/93/91/97/563939197.db2.gz ZOOFMOJGYYMKFG-UHFFFAOYSA-N 0 0 313.788 3.798 50 0 DHAARN CCC(C)(C)NC(=O)c1ccc(NCc2c(C)noc2C)cc1 ZINC000055879185 563939391 /nfs/dbraw/zinc/93/93/91/563939391.db2.gz OWEUXXSGHRVKPB-UHFFFAOYSA-N 0 0 315.417 3.822 50 0 DHAARN Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)ccc2n1 ZINC000161953897 563939406 /nfs/dbraw/zinc/93/94/06/563939406.db2.gz OKSLFPREDXVSDY-SFHVURJKSA-N 0 0 320.396 3.634 50 0 DHAARN C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000262060755 563940010 /nfs/dbraw/zinc/94/00/10/563940010.db2.gz DXTZDLYTDBVPHR-DEDQRHPVSA-N 0 0 303.402 3.621 50 0 DHAARN COc1ccccc1-n1cnnc1SCc1ccc(C)cc1 ZINC000002644662 563940140 /nfs/dbraw/zinc/94/01/40/563940140.db2.gz MKGLSPHFLJUGPQ-UHFFFAOYSA-N 0 0 311.410 3.877 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2c3ccccc3C[C@H]2C)cc1 ZINC000002664092 563940205 /nfs/dbraw/zinc/94/02/05/563940205.db2.gz VSJVXQVKLHQJER-ZIAGYGMSSA-N 0 0 322.408 3.667 50 0 DHAARN O=C(CSc1nnc2ccccn21)c1ccc2ccccc2c1 ZINC000002654504 563940206 /nfs/dbraw/zinc/94/02/06/563940206.db2.gz DQHKHZCVFDWVMJ-UHFFFAOYSA-N 0 0 319.389 3.858 50 0 DHAARN CCSc1nnc(-c2cccnc2)n1-c1ccccc1F ZINC000002664988 563940247 /nfs/dbraw/zinc/94/02/47/563940247.db2.gz VYTRHJALBXOFBQ-UHFFFAOYSA-N 0 0 300.362 3.580 50 0 DHAARN Cc1nn([C@H](C)C(=O)NCCCc2ccccc2)c2ccccc12 ZINC000002908346 563941013 /nfs/dbraw/zinc/94/10/13/563941013.db2.gz ZPIXADOZCFTRSD-MRXNPFEDSA-N 0 0 321.424 3.655 50 0 DHAARN Clc1ccc(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000226761275 563941277 /nfs/dbraw/zinc/94/12/77/563941277.db2.gz WLPBMOQWAGSSNP-AWEZNQCLSA-N 0 0 300.745 3.507 50 0 DHAARN c1c(CN2CCN(c3ccccc3)CC2)onc1-c1ccccc1 ZINC000057373635 563941384 /nfs/dbraw/zinc/94/13/84/563941384.db2.gz VGIKYJSTODRJCT-UHFFFAOYSA-N 0 0 319.408 3.664 50 0 DHAARN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)S1 ZINC000003141731 563942421 /nfs/dbraw/zinc/94/24/21/563942421.db2.gz NITHMFXIRVGRJD-GDNBJRDFSA-N 0 0 311.362 3.590 50 0 DHAARN O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccccc1 ZINC000003152435 563942505 /nfs/dbraw/zinc/94/25/05/563942505.db2.gz WNFMWCCGPDYEPO-PTNGSMBKSA-N 0 0 310.378 3.793 50 0 DHAARN Cc1cccc(N[P@@](C)(=O)c2nc3c(s2)CCCC3)c1 ZINC000003196157 563942823 /nfs/dbraw/zinc/94/28/23/563942823.db2.gz CKTWSEFPYXPJJG-IBGZPJMESA-N 0 0 306.371 3.976 50 0 DHAARN O=C(c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F ZINC000003215384 563942868 /nfs/dbraw/zinc/94/28/68/563942868.db2.gz VMJWGXORNRMRTD-UHFFFAOYSA-N 0 0 302.692 3.760 50 0 DHAARN Cc1cccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000030477304 563943084 /nfs/dbraw/zinc/94/30/84/563943084.db2.gz XYTSILMVSCSBKN-NSHDSACASA-N 0 0 308.303 3.900 50 0 DHAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC(C)C)cc12 ZINC000003256373 563943270 /nfs/dbraw/zinc/94/32/70/563943270.db2.gz ZNJDUZGJHLUWGM-UHFFFAOYSA-N 0 0 317.389 3.673 50 0 DHAARN CCc1ccc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000003321695 563943516 /nfs/dbraw/zinc/94/35/16/563943516.db2.gz GYLKYOAYRPAKHG-OAHLLOKOSA-N 0 0 308.425 3.634 50 0 DHAARN Cc1ccc2[nH]c(CN(C)CCCOc3ccccc3)nc2c1 ZINC000670441953 563943822 /nfs/dbraw/zinc/94/38/22/563943822.db2.gz SNHCCLISGGJTMV-UHFFFAOYSA-N 0 0 309.413 3.772 50 0 DHAARN CC(=O)c1cccc(NC(=O)[C@@H](C)N2c3ccccc3C[C@H]2C)c1 ZINC000003431747 563943917 /nfs/dbraw/zinc/94/39/17/563943917.db2.gz KYHCRSMOBUCKOW-ZIAGYGMSSA-N 0 0 322.408 3.667 50 0 DHAARN COc1c(C)cccc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000030952682 563944089 /nfs/dbraw/zinc/94/40/89/563944089.db2.gz BRSLFCMVHKAZRL-UHFFFAOYSA-N 0 0 316.426 3.981 50 0 DHAARN Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1 ZINC000003524160 563944190 /nfs/dbraw/zinc/94/41/90/563944190.db2.gz LWHUKHKPLGFPDY-ZDUSSCGKSA-N 0 0 303.789 3.732 50 0 DHAARN CN(C)C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000031223308 563944304 /nfs/dbraw/zinc/94/43/04/563944304.db2.gz KUZZXDGPUSFKOL-UHFFFAOYSA-N 0 0 310.216 3.879 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)on1 ZINC000031382524 563944402 /nfs/dbraw/zinc/94/44/02/563944402.db2.gz YQTIQARVNRDHGD-OAHLLOKOSA-N 0 0 320.392 3.933 50 0 DHAARN CC(C)NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 ZINC000031423675 563944476 /nfs/dbraw/zinc/94/44/76/563944476.db2.gz VMDUVGMNOGJJSZ-UHFFFAOYSA-N 0 0 324.833 3.753 50 0 DHAARN Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1cccc2ccccc21 ZINC000031662152 563944591 /nfs/dbraw/zinc/94/45/91/563944591.db2.gz AEECVZPZNCVVNC-KRWDZBQOSA-N 0 0 320.396 3.772 50 0 DHAARN Fc1ccc(Cl)cc1-c1nn2c(nnc2-c2ccco2)s1 ZINC000032073784 563945203 /nfs/dbraw/zinc/94/52/03/563945203.db2.gz YIOVHRWBEALVQI-UHFFFAOYSA-N 0 0 320.736 3.905 50 0 DHAARN O=C(NCc1sc2ccccc2c1Cl)C1CCOCC1 ZINC000670463435 563945806 /nfs/dbraw/zinc/94/58/06/563945806.db2.gz OCXYDHNZYKRGKS-UHFFFAOYSA-N 0 0 309.818 3.598 50 0 DHAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C)cc1 ZINC000007983302 563945980 /nfs/dbraw/zinc/94/59/80/563945980.db2.gz GELMNQBKFBOXDT-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN Cc1cc(C(=O)CCC(=O)NCc2ccccc2C)c(C)s1 ZINC000007976457 563946010 /nfs/dbraw/zinc/94/60/10/563946010.db2.gz MCODQBKJXHVWMK-UHFFFAOYSA-N 0 0 315.438 3.953 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2cccc(Br)c2)s1 ZINC000007995394 563946129 /nfs/dbraw/zinc/94/61/29/563946129.db2.gz GTUUQCGIHROXDE-UHFFFAOYSA-N 0 0 311.204 3.775 50 0 DHAARN O=C(Cc1ccc2c(c1)CCC2)NCCc1c[nH]c2ccccc12 ZINC000008037670 563946294 /nfs/dbraw/zinc/94/62/94/563946294.db2.gz DRLOOIUOUSISQC-UHFFFAOYSA-N 0 0 318.420 3.558 50 0 DHAARN O=C(CCSc1ccc(F)cc1)NOCc1ccccc1 ZINC000008096941 563946587 /nfs/dbraw/zinc/94/65/87/563946587.db2.gz ZUUVIHAWDVGSGE-UHFFFAOYSA-N 0 0 305.374 3.556 50 0 DHAARN O=C(Nc1cccc(Cl)c1)c1cncn1-c1ccc(F)cc1 ZINC000008134867 563946785 /nfs/dbraw/zinc/94/67/85/563946785.db2.gz LPOOANVKURWMIY-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccn1 ZINC000008132124 563946799 /nfs/dbraw/zinc/94/67/99/563946799.db2.gz ZQOVZAXUKZGXKH-UHFFFAOYSA-N 0 0 314.348 3.877 50 0 DHAARN CCn1c2ccccc2nc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000008165446 563946991 /nfs/dbraw/zinc/94/69/91/563946991.db2.gz JYTRMNXYAZKBIN-KRWDZBQOSA-N 0 0 305.425 3.703 50 0 DHAARN COc1cccc2sc(NC(=O)c3ccccc3F)nc21 ZINC000008237150 563947278 /nfs/dbraw/zinc/94/72/78/563947278.db2.gz BHTODPVIIUWOEG-UHFFFAOYSA-N 0 0 302.330 3.696 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)NCCc1ccc(F)cc1 ZINC000008265146 563947297 /nfs/dbraw/zinc/94/72/97/563947297.db2.gz LEVXVLMWWVXVRP-UHFFFAOYSA-N 0 0 321.779 3.525 50 0 DHAARN COc1ccc(CCSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000008230913 563947328 /nfs/dbraw/zinc/94/73/28/563947328.db2.gz IARFBKCSPDCHRP-UHFFFAOYSA-N 0 0 317.439 3.877 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)Nc2ccccc2OC)cc1 ZINC000008265393 563947405 /nfs/dbraw/zinc/94/74/05/563947405.db2.gz UJRZHDHJNFAULQ-GFCCVEGCSA-N 0 0 300.358 3.587 50 0 DHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)CCC2 ZINC000008231231 563947424 /nfs/dbraw/zinc/94/74/24/563947424.db2.gz VRJSVKPYYDWQCB-UHFFFAOYSA-N 0 0 304.393 3.629 50 0 DHAARN Cc1nc2cc(NC(=O)Cc3ccc4c(c3)CCC4)ccc2o1 ZINC000008275990 563947582 /nfs/dbraw/zinc/94/75/82/563947582.db2.gz BDPBQMQBZGYSNK-UHFFFAOYSA-N 0 0 306.365 3.806 50 0 DHAARN Clc1cccc(-c2nnn(Cc3ccccc3Cl)n2)c1 ZINC000008324890 563947889 /nfs/dbraw/zinc/94/78/89/563947889.db2.gz XFKQOJUZFAJUPP-UHFFFAOYSA-N 0 0 305.168 3.695 50 0 DHAARN O=C(CSC1=NCCS1)Nc1c(Cl)cccc1Cl ZINC000008329435 563948119 /nfs/dbraw/zinc/94/81/19/563948119.db2.gz VIOQPIPFGQQJDK-UHFFFAOYSA-N 0 0 321.254 3.768 50 0 DHAARN CCN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1 ZINC000066921929 563948069 /nfs/dbraw/zinc/94/80/69/563948069.db2.gz HZBSHUROFFAJKQ-SFHVURJKSA-N 0 0 309.413 3.515 50 0 DHAARN O=C(OCc1cc(-c2ccco2)on1)c1ccc(F)c(F)c1 ZINC000008370623 563948083 /nfs/dbraw/zinc/94/80/83/563948083.db2.gz VMRMGZTZEUNECO-UHFFFAOYSA-N 0 0 305.236 3.570 50 0 DHAARN O=C([O-])c1ccc(CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000263580254 563948314 /nfs/dbraw/zinc/94/83/14/563948314.db2.gz VSTKDVVBVNFOOP-CQSZACIVSA-N 0 0 302.399 3.569 50 0 DHAARN Cc1ccc(N2C(=O)c3ccccc3N[C@]23CCSC3)cc1 ZINC000008427680 563948549 /nfs/dbraw/zinc/94/85/49/563948549.db2.gz OOWQLPMLRKDDSG-GOSISDBHSA-N 0 0 310.422 3.901 50 0 DHAARN CCc1nc(CNCc2cccc(NC(=O)C(C)C)c2)cs1 ZINC000067185390 563948696 /nfs/dbraw/zinc/94/86/96/563948696.db2.gz XQJHWWKZGMPTBF-UHFFFAOYSA-N 0 0 317.458 3.590 50 0 DHAARN CCSc1nc2ccsc2c(=O)n1Cc1ccccc1F ZINC000067259878 563948756 /nfs/dbraw/zinc/94/87/56/563948756.db2.gz DPMSCDJMGWABEP-UHFFFAOYSA-N 0 0 320.414 3.757 50 0 DHAARN CCC[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000008519946 563948776 /nfs/dbraw/zinc/94/87/76/563948776.db2.gz WSJMPHWACUJIGO-INIZCTEOSA-N 0 0 307.390 3.645 50 0 DHAARN Cc1ccc(-c2[nH]c3cc4c(cc3c(=O)c2C)OCCO4)cc1 ZINC000067340163 563948996 /nfs/dbraw/zinc/94/89/96/563948996.db2.gz RFKDNJSHOINBCT-UHFFFAOYSA-N 0 0 307.349 3.583 50 0 DHAARN Cc1cc2n(n1)CCCN2C(=O)Nc1ccc(C)c(Cl)c1 ZINC000008610262 563949374 /nfs/dbraw/zinc/94/93/74/563949374.db2.gz CYAQZYYLMSBMHB-UHFFFAOYSA-N 0 0 304.781 3.596 50 0 DHAARN CCNc1nnc(S[C@H]2CCCc3ccccc3C2=O)s1 ZINC000067428883 563949384 /nfs/dbraw/zinc/94/93/84/563949384.db2.gz KCEKXTPGRZTUBQ-LBPRGKRZSA-N 0 0 319.455 3.650 50 0 DHAARN CC(C)COc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 ZINC000008612324 563949388 /nfs/dbraw/zinc/94/93/88/563949388.db2.gz GXESBRNWHLSQJS-UHFFFAOYSA-N 0 0 314.385 3.841 50 0 DHAARN CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1 ZINC000008602298 563949425 /nfs/dbraw/zinc/94/94/25/563949425.db2.gz WBJWDBCIFVLEMW-UHFFFAOYSA-N 0 0 320.392 3.780 50 0 DHAARN Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067511891 563949430 /nfs/dbraw/zinc/94/94/30/563949430.db2.gz YYYILMOGIMNMDU-IRXDYDNUSA-N 0 0 318.376 3.936 50 0 DHAARN CCN(C(=O)Nc1cccc(CN(C)C(C)=O)c1)[C@@H](C)C(C)C ZINC000067664622 563949530 /nfs/dbraw/zinc/94/95/30/563949530.db2.gz RLMRANWNZVMVIN-AWEZNQCLSA-N 0 0 319.449 3.563 50 0 DHAARN CCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 ZINC000008691065 563949808 /nfs/dbraw/zinc/94/98/08/563949808.db2.gz BMHQJVDCDIRKPR-UHFFFAOYSA-N 0 0 314.435 3.862 50 0 aggregator DHAARN O=C(Nc1nc2c(s1)CCCC2)c1cccc2ncccc21 ZINC000008708272 563950036 /nfs/dbraw/zinc/95/00/36/563950036.db2.gz PJYXLKPVKHIWAL-UHFFFAOYSA-N 0 0 309.394 3.822 50 0 DHAARN CC(C)[C@@H](Sc1ccccn1)C(=O)NCc1ccccc1 ZINC000008720945 563950241 /nfs/dbraw/zinc/95/02/41/563950241.db2.gz MMWVCRPRPPAAHQ-MRXNPFEDSA-N 0 0 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1024570184 /nfs/dbraw/zinc/57/01/84/1024570184.db2.gz ADANPMNXTIZHDW-UHFFFAOYSA-N 0 0 320.845 3.576 50 0 DHAARN Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2ccccc2)n1 ZINC000002659734 1025570095 /nfs/dbraw/zinc/57/00/95/1025570095.db2.gz NPGIICPSRKTLBD-MDZDMXLPSA-N 0 0 309.394 3.894 50 0 DHAARN O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccco1 ZINC000003195333 1025643184 /nfs/dbraw/zinc/64/31/84/1025643184.db2.gz WQZNUMAPYDRLTK-AATRIKPKSA-N 0 0 321.258 3.506 50 0 DHAARN Fc1ccc(OCc2nnc(SC/C=C\Cl)o2)cc1 ZINC000221997536 1026114033 /nfs/dbraw/zinc/11/40/33/1026114033.db2.gz IFVHTZAZFIZXPZ-BHQIHCQQSA-N 0 0 300.742 3.632 50 0 DHAARN Cc1[nH]nc2c1[C@H](c1ccccc1)N(c1ccc(C)cc1)C2=O ZINC000005818283 1026416156 /nfs/dbraw/zinc/41/61/56/1026416156.db2.gz VBFMSGYZSBTLLJ-SFHVURJKSA-N 0 0 303.365 3.776 50 0 DHAARN COc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1CO ZINC000129336339 1026487827 /nfs/dbraw/zinc/48/78/27/1026487827.db2.gz GNWCTCKMGOZKTK-NWDGAFQWSA-N 0 0 303.324 3.721 50 0 DHAARN O=c1nc([C@@H]2CSCCS2)[nH]c2sc3ccccc3c21 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GHJKEYNTDZDHTP-UHFFFAOYSA-N 0 0 308.422 3.724 50 0 DHAARN CS[C@H](C)Cc1nc(Cc2nsc3ccccc23)no1 ZINC000585120212 1029793647 /nfs/dbraw/zinc/79/36/47/1029793647.db2.gz AAZABZPZIUCNGM-SECBINFHSA-N 0 0 305.428 3.564 50 0 DHAARN O=C(CSC[C@H]1CCCCO1)Nc1nsc2ccccc21 ZINC000585125287 1029801989 /nfs/dbraw/zinc/80/19/89/1029801989.db2.gz MPTVCRRMORTKLG-LLVKDONJSA-N 0 0 322.455 3.537 50 0 DHAARN CC[C@@H]1C[C@H](CC(=O)Nc2ccccc2-c2ncco2)CCO1 ZINC000585126250 1029808921 /nfs/dbraw/zinc/80/89/21/1029808921.db2.gz UDHIWHCTQMBIGH-ZIAGYGMSSA-N 0 0 314.385 3.875 50 0 DHAARN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2ncccn2)CC(C)(C)C1 ZINC000585131407 1029821638 /nfs/dbraw/zinc/82/16/38/1029821638.db2.gz VFOOAGXMRRWNOF-RBSFLKMASA-N 0 0 301.434 3.603 50 0 DHAARN Cc1nc(/C=C/C(=O)N(C)c2nc3ccccc3s2)cs1 ZINC000012923931 1029927254 /nfs/dbraw/zinc/92/72/54/1029927254.db2.gz BNJKWIKHQXSKQX-BQYQJAHWSA-N 0 0 315.423 3.737 50 0 DHAARN CCc1ccc([C@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)cc1 ZINC000263415022 1031191278 /nfs/dbraw/zinc/19/12/78/1031191278.db2.gz MWNYWVWFMOCWNK-IBGZPJMESA-N 0 0 309.409 3.937 50 0 DHAARN CCOc1ccc(/C=C\C(=O)Nc2nccs2)cc1OCC ZINC000005960092 1033295811 /nfs/dbraw/zinc/29/58/11/1033295811.db2.gz CSKILGRKNGMLDB-VURMDHGXSA-N 0 0 318.398 3.592 50 0 DHAARN Cc1nn(C)c(Cl)c1/C=C\C(=O)NC(C)(C)CC(C)(C)C ZINC000098054431 1034154584 /nfs/dbraw/zinc/15/45/84/1034154584.db2.gz UUVNLCAFAGBBAK-HJWRWDBZSA-N 0 0 311.857 3.726 50 0 DHAARN Cc1ccsc1C(=O)N=c1ccccn1Cc1ccccc1 ZINC000023610405 1034157007 /nfs/dbraw/zinc/15/70/07/1034157007.db2.gz CCGAKZWUNYRJKI-UHFFFAOYSA-N 0 0 308.406 3.647 50 0 DHAARN CC(C)(C)n1cc(-c2nc(Cc3ccc(Cl)cc3)no2)cn1 ZINC000109613671 1034674722 /nfs/dbraw/zinc/67/47/22/1034674722.db2.gz NNBNFPULYZVOEU-UHFFFAOYSA-N 0 0 316.792 3.932 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)Nc1nc2c(s1)CCCC2 ZINC000006967132 1035040622 /nfs/dbraw/zinc/04/06/22/1035040622.db2.gz BRNPUJWGGDZHEL-UHFFFAOYSA-N 0 0 311.410 3.684 50 0 DHAARN O=C1c2ccccc2N[C@H](c2ccsc2)N1CC(F)(F)F ZINC000007113369 1035288591 /nfs/dbraw/zinc/28/85/91/1035288591.db2.gz BWYDSHZOKYJWON-LBPRGKRZSA-N 0 0 312.316 3.877 50 0 DHAARN COc1ccc(CNc2ccccc2C(=O)N(C)C)c(Cl)c1 ZINC000084491293 1035329365 /nfs/dbraw/zinc/32/93/65/1035329365.db2.gz DLLYMBMRMXAGQF-UHFFFAOYSA-N 0 0 318.804 3.663 50 0 DHAARN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cscn1 ZINC000084496563 1035330218 /nfs/dbraw/zinc/33/02/18/1035330218.db2.gz WOIKGHJRXNHSBD-INIZCTEOSA-N 0 0 312.442 3.850 50 0 DHAARN O=C(NC1(c2ccccc2)CCC1)C1=NO[C@H](c2ccccc2)C1 ZINC000084525308 1035330633 /nfs/dbraw/zinc/33/06/33/1035330633.db2.gz CNOHSMIBWUOIHF-SFHVURJKSA-N 0 0 320.392 3.700 50 0 DHAARN Clc1ccc(-c2noc(CSc3nncs3)n2)cc1 ZINC000007442635 1035667382 /nfs/dbraw/zinc/66/73/82/1035667382.db2.gz YEZKLRYBKBTFKF-UHFFFAOYSA-N 0 0 310.791 3.534 50 0 DHAARN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccccn2)cc1C ZINC000032561731 1036034686 /nfs/dbraw/zinc/03/46/86/1036034686.db2.gz KEGCQNVAPSGUMX-APWZRJJASA-N 0 0 324.424 3.829 50 0 DHAARN Cc1cc(C)c(OCC[NH2+]C2CCC(CC(=O)[O-])CC2)c(C)c1 ZINC000032587381 1036332122 /nfs/dbraw/zinc/33/21/22/1036332122.db2.gz MWJCGOGQCCNRDI-UHFFFAOYSA-N 0 0 319.445 3.614 50 0 DHAARN CCN(CC)C(=O)N1CCC[C@@H]1CCc1ncc(C)n1C(C)C ZINC000253412323 1036613388 /nfs/dbraw/zinc/61/33/88/1036613388.db2.gz QPWDPDNGIGSISD-MRXNPFEDSA-N 0 0 320.481 3.631 50 0 DHAARN CC(=O)Nc1cccc([C@H](C)NC(=O)/C=C/c2cccs2)c1 ZINC000030278823 1036649160 /nfs/dbraw/zinc/64/91/60/1036649160.db2.gz YQEMGVVRCAQHKU-BCPZQOPPSA-N 0 0 314.410 3.597 50 0 DHAARN Cn1nc(C2CCC2)cc1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000153544213 1036759323 /nfs/dbraw/zinc/75/93/23/1036759323.db2.gz CQRNAGZECJZHTQ-UHFFFAOYSA-N 0 0 324.428 3.884 50 0 DHAARN COC(=O)c1cn(C(=O)c2ccc(C)c(C)c2)c2ccccc12 ZINC000000460844 1036833223 /nfs/dbraw/zinc/83/32/23/1036833223.db2.gz QUXNNXZZXGGGPV-UHFFFAOYSA-N 0 0 307.349 3.733 50 0 DHAARN Clc1ccc2c(c1Cl)OCCCC2N=Nc1cnccn1 ZINC000254577693 1037638204 /nfs/dbraw/zinc/63/82/04/1037638204.db2.gz HJSPPOHIVZFAOZ-UHFFFAOYSA-N 0 0 323.183 3.772 50 0 DHAARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1ccncc1 ZINC000032726040 1037683902 /nfs/dbraw/zinc/68/39/02/1037683902.db2.gz QFQXPSCSGXTAJZ-SNAWJCMRSA-N 0 0 318.808 3.548 50 0 DHAARN Cc1cc([C@H](C)NC(=O)N2CCc3ccc(F)cc3C2)c(C)o1 ZINC000153937122 1037734572 /nfs/dbraw/zinc/73/45/72/1037734572.db2.gz OCODRMOEQIWDGB-LBPRGKRZSA-N 0 0 316.376 3.864 50 0 DHAARN Clc1ccc(-c2cnc(C[N@@H+]3CC[C@]4(CCOC4)C3)o2)cc1 ZINC000154012420 1037769949 /nfs/dbraw/zinc/76/99/49/1037769949.db2.gz FLXBREMXNPROPI-KRWDZBQOSA-N 0 0 318.804 3.607 50 0 DHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1c(F)cccc1Cl ZINC000227224107 1037860461 /nfs/dbraw/zinc/86/04/61/1037860461.db2.gz GKTFTFPKBGNPKZ-ONERCXAPSA-N 0 0 311.784 3.697 50 0 DHAARN CCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1ccnn1C ZINC000031876982 1038066061 /nfs/dbraw/zinc/06/60/61/1038066061.db2.gz UKYYZSDDDWPKDK-VQHVLOKHSA-N 0 0 317.820 3.850 50 0 DHAARN O=C(/C=C/c1ccccn1)Nc1ncc(-c2ccccc2)s1 ZINC000055321658 1038104003 /nfs/dbraw/zinc/10/40/03/1038104003.db2.gz VOYRQKCJTYJVMG-MDZDMXLPSA-N 0 0 307.378 3.857 50 0 DHAARN CC(=O)Nc1ccc(C)cc1NC(=O)c1cccc2c1CCC2 ZINC000170805002 1038989619 /nfs/dbraw/zinc/98/96/19/1038989619.db2.gz DGEXCEVQPFUFSY-UHFFFAOYSA-N 0 0 308.381 3.694 50 0 DHAARN CCCN(C[C@@H]1CCOC1)C(=O)Nc1ccc(C)cc1Cl ZINC000169762826 1040870877 /nfs/dbraw/zinc/87/08/77/1040870877.db2.gz BTGDWVFBRBDVOY-ZDUSSCGKSA-N 0 0 310.825 3.929 50 0 DHAARN CNC(=O)N1CC2(C[C@@H]1COCc1ccccc1)CCCCC2 ZINC000257189808 1040956661 /nfs/dbraw/zinc/95/66/61/1040956661.db2.gz JWNRMSHYYGQOKT-QGZVFWFLSA-N 0 0 316.445 3.567 50 0 DHAARN CCC(=O)N1CCCc2ccc(NC(=O)Oc3ccccc3)cc21 ZINC000013959230 1041265204 /nfs/dbraw/zinc/26/52/04/1041265204.db2.gz GFKRUDJNLVNGNW-UHFFFAOYSA-N 0 0 324.380 3.987 50 0 DHAARN CC(C)c1sc(Cl)nc1C(=O)NCC(=O)c1ccccc1 ZINC000095473958 185372930 /nfs/dbraw/zinc/37/29/30/185372930.db2.gz WGRNWJRVVYJTDC-UHFFFAOYSA-N 0 0 322.817 3.533 50 0 DHAARN COc1ccc(O)c(-c2ccnc3cc(-c4ccccc4)nn32)c1 ZINC000095474512 185373345 /nfs/dbraw/zinc/37/33/45/185373345.db2.gz FKFMRNAZZMPNON-UHFFFAOYSA-N 0 0 317.348 3.778 50 0 DHAARN Cc1c(-c2ccccc2)nn2c1nccc2-c1cc(O)ccc1O ZINC000095478509 185373395 /nfs/dbraw/zinc/37/33/95/185373395.db2.gz HZODKSWPMWCDSS-UHFFFAOYSA-N 0 0 317.348 3.783 50 0 DHAARN CC(C)Cn1ccc2c1cccc2NC(=O)c1n[nH]c2c1CCC2 ZINC000095480401 185373603 /nfs/dbraw/zinc/37/36/03/185373603.db2.gz CKYPWLHQTLVHJJ-UHFFFAOYSA-N 0 0 322.412 3.761 50 0 DHAARN CC(C)c1sc(Cl)nc1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000095480240 185373658 /nfs/dbraw/zinc/37/36/58/185373658.db2.gz QJGGHGZGWAKKTM-VIFPVBQESA-N 0 0 316.854 3.607 50 0 DHAARN CC(C)C1CCN(C(=O)N[C@@H](c2nccs2)C2CC2)CC1 ZINC000074709888 185011171 /nfs/dbraw/zinc/01/11/71/185011171.db2.gz RZZVAIDULYJARM-CQSZACIVSA-N 0 0 307.463 3.672 50 0 DHAARN Cc1nc2c(s1)CCC[C@@H]2Nc1nc2c(s1)c(C)nn2C ZINC000095505977 185375399 /nfs/dbraw/zinc/37/53/99/185375399.db2.gz KRLNSIGRBHMTIF-VIFPVBQESA-N 0 0 319.459 3.593 50 0 DHAARN CCN(C(=O)Nc1ccnn1[C@@H](C)c1ccccc1)C(C)C ZINC000095519063 185377041 /nfs/dbraw/zinc/37/70/41/185377041.db2.gz PJEDYFBWGBBMMN-AWEZNQCLSA-N 0 0 300.406 3.755 50 0 DHAARN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCc1ccncc1 ZINC000076648953 185028810 /nfs/dbraw/zinc/02/88/10/185028810.db2.gz MXYQHSQIZDHNTM-CQSZACIVSA-N 0 0 316.832 3.757 50 0 DHAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ccc2ccn(C)c2c1 ZINC000095520098 185377153 /nfs/dbraw/zinc/37/71/53/185377153.db2.gz VCNUJHUVBMKFSG-MRXNPFEDSA-N 0 0 323.396 3.760 50 0 DHAARN O=C(CC[C@@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1 ZINC000076919897 185055226 /nfs/dbraw/zinc/05/52/26/185055226.db2.gz ZWTSNXUATRKWRM-AWEZNQCLSA-N 0 0 307.365 3.512 50 0 DHAARN Cn1ccc2ccc(C(=O)N3CCC[C@@H]3c3nccs3)cc21 ZINC000095521122 185377473 /nfs/dbraw/zinc/37/74/73/185377473.db2.gz JJEFMPPPSULUBX-CQSZACIVSA-N 0 0 311.410 3.612 50 0 DHAARN CCCCn1ccnc1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000095522446 185377489 /nfs/dbraw/zinc/37/74/89/185377489.db2.gz NVBVBLGIRGVBPK-UHFFFAOYSA-N 0 0 317.477 3.970 50 0 DHAARN Fc1cnccc1N1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095530664 185378857 /nfs/dbraw/zinc/37/88/57/185378857.db2.gz BMZZBGSSFWWTIF-HNNXBMFYSA-N 0 0 314.408 3.601 50 0 DHAARN CCc1nc(CNC(=O)Nc2ccc3ccn(C)c3c2)cs1 ZINC000078937872 185131780 /nfs/dbraw/zinc/13/17/80/185131780.db2.gz GDXDZBJEWFQIMF-UHFFFAOYSA-N 0 0 314.414 3.519 50 0 DHAARN O=S(=O)(/C=C\c1ccccc1)Nc1cccc2c1CCCC2 ZINC000096793780 185388491 /nfs/dbraw/zinc/38/84/91/185388491.db2.gz KBMAJNGNZMRTDS-YPKPFQOOSA-N 0 0 313.422 3.978 50 0 DHAARN CCOc1ccc(N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1C ZINC000079029958 185147495 /nfs/dbraw/zinc/14/74/95/185147495.db2.gz DSSWFQAFGNPBDW-ZDUSSCGKSA-N 0 0 323.396 3.803 50 0 DHAARN CC(C)C[C@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1 ZINC000079104759 185158706 /nfs/dbraw/zinc/15/87/06/185158706.db2.gz PZZDEJOAAYWWGM-OAHLLOKOSA-N 0 0 304.434 3.767 50 0 DHAARN O=C(c1cc2ccccc2s1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000079110874 185159111 /nfs/dbraw/zinc/15/91/11/185159111.db2.gz PIVQCYSIEJHZMP-OAHLLOKOSA-N 0 0 324.405 3.590 50 0 DHAARN CCOC(=O)C[C@@H](C)S[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000079359108 185166938 /nfs/dbraw/zinc/16/69/38/185166938.db2.gz KHJRHCJIYZHVMD-NEPJUHHUSA-N 0 0 320.414 3.873 50 0 DHAARN O=C1OC(c2ccc(F)cc2F)=N/C1=C/c1ccc(F)cc1F ZINC000096892194 185390480 /nfs/dbraw/zinc/39/04/80/185390480.db2.gz WHSFDEYZKURFNH-LHHJGKSTSA-N 0 0 321.229 3.588 50 0 DHAARN O=C(Nc1ccc2ccccc2n1)c1ccncc1C(F)(F)F ZINC000328589425 231233634 /nfs/dbraw/zinc/23/36/34/231233634.db2.gz FJDMNWDHANVYNS-UHFFFAOYSA-N 0 0 317.270 3.901 50 0 DHAARN Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](C)c2cncnc2)c1C ZINC000328595738 231236712 /nfs/dbraw/zinc/23/67/12/231236712.db2.gz CVSVNPDRPADMDP-QFBILLFUSA-N 0 0 323.440 3.951 50 0 DHAARN CC(=O)Nc1ccc([S@](=O)CCc2ccccc2Cl)cc1 ZINC000083077192 185212916 /nfs/dbraw/zinc/21/29/16/185212916.db2.gz TYRMKSDQNXUEOO-NRFANRHFSA-N 0 0 321.829 3.649 50 0 DHAARN CC(C)CCc1noc(CNC2(c3nccs3)CCCC2)n1 ZINC000083214931 185220195 /nfs/dbraw/zinc/22/01/95/185220195.db2.gz MZVFOFUFVSKCGM-UHFFFAOYSA-N 0 0 320.462 3.674 50 0 DHAARN COc1cc(/C=C\C(=O)N(C)C2CCCC2)cc(Cl)c1OC ZINC000096926017 185391961 /nfs/dbraw/zinc/39/19/61/185391961.db2.gz MJJHBLIYRMFQAY-HJWRWDBZSA-N 0 0 323.820 3.771 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000096932094 185392624 /nfs/dbraw/zinc/39/26/24/185392624.db2.gz FXFILQAHELADBD-KLQCNHIUSA-N 0 0 307.393 3.854 50 0 DHAARN Cc1noc(C)c1CSc1n[nH]c(C=Cc2cccs2)n1 ZINC000096940048 185393233 /nfs/dbraw/zinc/39/32/33/185393233.db2.gz LRTTYFXQMFIOTB-WAYWQWQTSA-N 0 0 318.427 3.934 50 0 DHAARN O=C(Cc1cnn(-c2ccccc2)c1)OC/C=C\c1ccccc1 ZINC000096941524 185393249 /nfs/dbraw/zinc/39/32/49/185393249.db2.gz YHOQOXOKRUWJIF-YFHOEESVSA-N 0 0 318.376 3.671 50 0 DHAARN CN(Cc1ccccc1)C(=O)/C=C\c1cccc2cccnc12 ZINC000096942252 185393334 /nfs/dbraw/zinc/39/33/34/185393334.db2.gz DMKKGPMYBZCJKD-SEYXRHQNSA-N 0 0 302.377 3.907 50 0 DHAARN CC[C@H]1CCCCCN1C(=O)c1ccnc(OC2CCC2)c1 ZINC000090053201 185279721 /nfs/dbraw/zinc/27/97/21/185279721.db2.gz RMOVTVAYUHOCHU-HNNXBMFYSA-N 0 0 302.418 3.808 50 0 DHAARN O=C(Nc1cccc(-c2cnc3n2CCC3)c1)[C@H]1CC=CCC1 ZINC000090607222 185306468 /nfs/dbraw/zinc/30/64/68/185306468.db2.gz POYMGYQWAWSGQG-AWEZNQCLSA-N 0 0 307.397 3.791 50 0 DHAARN Cc1nc2c(s1)[C@@H](NCc1ccn(C3CCCC3)n1)CCC2 ZINC000090547188 185302070 /nfs/dbraw/zinc/30/20/70/185302070.db2.gz JZYOKSYKESIUAJ-HNNXBMFYSA-N 0 0 316.474 3.930 50 0 DHAARN O=C(Cc1cccnc1)N1CCCC[C@@H]1CCc1cccs1 ZINC000082096760 192355550 /nfs/dbraw/zinc/35/55/50/192355550.db2.gz SCSQTNWHITXXEO-MRXNPFEDSA-N 0 0 314.454 3.700 50 0 DHAARN CSc1ncccc1C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000082099649 192356456 /nfs/dbraw/zinc/35/64/56/192356456.db2.gz XWAHKSVYSGAZGL-UHFFFAOYSA-N 0 0 321.471 3.656 50 0 DHAARN O=C(c1csc(Cc2ccccc2)n1)N1Cc2ccccc2C1 ZINC000082114540 192357406 /nfs/dbraw/zinc/35/74/06/192357406.db2.gz ONBZUCYMGXKIGQ-UHFFFAOYSA-N 0 0 320.417 3.890 50 0 DHAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000000490379 190614692 /nfs/dbraw/zinc/61/46/92/190614692.db2.gz MGOCGJIZLYGKBE-UHFFFAOYSA-N 0 0 320.300 3.575 50 0 biogenic DHAARN CCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1 ZINC000000618741 190615737 /nfs/dbraw/zinc/61/57/37/190615737.db2.gz LIALMAGRHCVZFS-UHFFFAOYSA-N 0 0 313.382 3.881 50 0 DHAARN CCc1nnc(NC(=O)c2cc3c(s2)CCCCC3)s1 ZINC000003477307 190617695 /nfs/dbraw/zinc/61/76/95/190617695.db2.gz GHQJXEBIEMYWEU-UHFFFAOYSA-N 0 0 307.444 3.683 50 0 DHAARN O=C(COc1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000003514985 190618250 /nfs/dbraw/zinc/61/82/50/190618250.db2.gz NFQSABWZMJHSIH-UHFFFAOYSA-N 0 0 310.180 3.689 50 0 DHAARN Cc1ccc(Nc2nc3ccccc3n3cnnc23)c(Cl)c1 ZINC000004622478 190619825 /nfs/dbraw/zinc/61/98/25/190619825.db2.gz PZEDTUSCOBZDNT-UHFFFAOYSA-N 0 0 309.760 3.983 50 0 DHAARN COc1cc([C@H]2Nc3ccccc3S2)cc(OC)c1OC ZINC000000137224 190612294 /nfs/dbraw/zinc/61/22/94/190612294.db2.gz LSUGLCUGZKOMBJ-INIZCTEOSA-N 0 0 303.383 3.929 50 0 DHAARN COc1ccccc1-c1nccn1CCCc1c(C)n[nH]c1C ZINC000082125257 192359521 /nfs/dbraw/zinc/35/95/21/192359521.db2.gz SHDIZDCDBOKCLK-UHFFFAOYSA-N 0 0 310.401 3.531 50 0 DHAARN O=C(Nc1ccccc1F)[C@H]1CCCCN1Cc1ccccc1 ZINC000095402657 185354880 /nfs/dbraw/zinc/35/48/80/185354880.db2.gz IIZGMIBVNHPBFI-GOSISDBHSA-N 0 0 312.388 3.819 50 0 DHAARN Cc1ccc(CCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)o1 ZINC000095405753 185355584 /nfs/dbraw/zinc/35/55/84/185355584.db2.gz CISYWUGJWSWHJQ-QWHCGFSZSA-N 0 0 303.324 3.758 50 0 DHAARN Cc1ccc(CCC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000095405756 185355712 /nfs/dbraw/zinc/35/57/12/185355712.db2.gz CISYWUGJWSWHJQ-OLZOCXBDSA-N 0 0 303.324 3.758 50 0 DHAARN C[C@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)C1=CCCCO1 ZINC000095405629 185355782 /nfs/dbraw/zinc/35/57/82/185355782.db2.gz PZHLZEXPJTZYFW-OAHLLOKOSA-N 0 0 322.408 3.962 50 0 DHAARN C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1ccncc1Cl ZINC000095405214 185355794 /nfs/dbraw/zinc/35/57/94/185355794.db2.gz BQLVTVQLLWJRJA-ZUZCIYMTSA-N 0 0 306.818 3.504 50 0 DHAARN FC(F)(F)c1ccnc(N2CCC(Nc3cccnc3)CC2)c1 ZINC000095408584 185356718 /nfs/dbraw/zinc/35/67/18/185356718.db2.gz VCWBSAUFKSKURY-UHFFFAOYSA-N 0 0 322.334 3.576 50 0 DHAARN CC(C)(C)c1nnc(CSCc2ccc3c(c2)OCCO3)o1 ZINC000095412906 185357904 /nfs/dbraw/zinc/35/79/04/185357904.db2.gz RMSLFXDSROFKNM-UHFFFAOYSA-N 0 0 320.414 3.572 50 0 DHAARN CCOc1cccc(CN[C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000095414946 185358666 /nfs/dbraw/zinc/35/86/66/185358666.db2.gz XGSRKKPYNSOWNH-OAHLLOKOSA-N 0 0 322.412 3.517 50 0 DHAARN COc1ccc(CNc2cc(C)c(NC(C)=O)c(C)c2)s1 ZINC000095418552 185359511 /nfs/dbraw/zinc/35/95/11/185359511.db2.gz GEIYTBVOUHQVSS-UHFFFAOYSA-N 0 0 304.415 3.944 50 0 DHAARN CC[C@@H](NCc1cccc(C(=O)NC)c1)c1cc(F)ccc1F ZINC000095420963 185360316 /nfs/dbraw/zinc/36/03/16/185360316.db2.gz MXSYFUQFMAAWDS-QGZVFWFLSA-N 0 0 318.367 3.565 50 0 DHAARN CCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)cs1 ZINC000095409871 185357053 /nfs/dbraw/zinc/35/70/53/185357053.db2.gz KJTRZDDOMHBIFM-UHFFFAOYSA-N 0 0 311.357 3.554 50 0 DHAARN Cc1cc([C@@H](NC(=O)N[C@@H](C)CCCO)C(C)C)c(C)s1 ZINC000095410346 185357287 /nfs/dbraw/zinc/35/72/87/185357287.db2.gz STNBMPIRPXNPLI-NHYWBVRUSA-N 0 0 312.479 3.522 50 0 DHAARN C[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(F)c1Cl ZINC000095427624 185361943 /nfs/dbraw/zinc/36/19/43/185361943.db2.gz AHYSREPSBVGORM-SNVBAGLBSA-N 0 0 307.752 3.546 50 0 DHAARN CC(C)(C)n1cc(CNc2ccc(-n3ccnc3)c(F)c2)cn1 ZINC000095428757 185362181 /nfs/dbraw/zinc/36/21/81/185362181.db2.gz OMQDAUULDQLHLN-UHFFFAOYSA-N 0 0 313.380 3.575 50 0 DHAARN CCn1cnnc1-c1cccc(NCc2ccc(COC)cc2)c1 ZINC000095428708 185362188 /nfs/dbraw/zinc/36/21/88/185362188.db2.gz KRAMCPDMEOAQPM-UHFFFAOYSA-N 0 0 322.412 3.724 50 0 DHAARN Cc1nc(-c2cccc(NCc3cnc4cc(C)ccn34)c2)no1 ZINC000095428748 185362229 /nfs/dbraw/zinc/36/22/29/185362229.db2.gz PGOBJVMJYSCVTG-UHFFFAOYSA-N 0 0 319.368 3.613 50 0 DHAARN CCNc1ncc(C(=O)N(C)c2nc([C@@H](C)CC)cs2)s1 ZINC000095429498 185362524 /nfs/dbraw/zinc/36/25/24/185362524.db2.gz XVAURUQYKYMBIL-VIFPVBQESA-N 0 0 324.475 3.822 50 0 DHAARN c1cc(CNc2ccc(-c3nnc4n3CCCC4)cc2)cs1 ZINC000095429080 185362690 /nfs/dbraw/zinc/36/26/90/185362690.db2.gz ARYMLZCCVYQMIU-UHFFFAOYSA-N 0 0 310.426 3.955 50 0 DHAARN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(O)cc1 ZINC000095431708 185363474 /nfs/dbraw/zinc/36/34/74/185363474.db2.gz OKJDFBFLMGDHNB-GJZGRUSLSA-N 0 0 301.411 3.524 50 0 DHAARN Cc1nnc([C@H](N[C@H]2CCc3ccc(C)cc32)c2ccccc2)[nH]1 ZINC000095421733 185360628 /nfs/dbraw/zinc/36/06/28/185360628.db2.gz AMSPZROQRILBRP-RBUKOAKNSA-N 0 0 318.424 3.788 50 0 DHAARN Cc1csc(CNc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000095448624 185368529 /nfs/dbraw/zinc/36/85/29/185368529.db2.gz ZWZRKHDBRVMLKQ-OKILXGFUSA-N 0 0 317.458 3.677 50 0 DHAARN C[C@@H](NC(=O)c1ccccc1COC1CCOCC1)C(C)(C)C ZINC000095449664 185368650 /nfs/dbraw/zinc/36/86/50/185368650.db2.gz UQFJFOUOOVIMMH-CQSZACIVSA-N 0 0 319.445 3.547 50 0 DHAARN Cc1cccc([C@H](NC(=O)c2cccnc2C)c2ccccn2)c1 ZINC000095452178 185369205 /nfs/dbraw/zinc/36/92/05/185369205.db2.gz VYBKZIUWHUZIFB-IBGZPJMESA-N 0 0 317.392 3.613 50 0 DHAARN c1nc(-c2cccc(NCc3coc(-c4ccccc4)n3)c2)n[nH]1 ZINC000095437435 185365601 /nfs/dbraw/zinc/36/56/01/185365601.db2.gz YYEPAXSJJDLRBB-UHFFFAOYSA-N 0 0 317.352 3.739 50 0 DHAARN Cc1cccc(Oc2ccc(NC(=O)N(C)[C@@H](C)CO)cc2)c1 ZINC000095454876 185369902 /nfs/dbraw/zinc/36/99/02/185369902.db2.gz SCDFZAYQNSEHAO-AWEZNQCLSA-N 0 0 314.385 3.632 50 0 DHAARN O=C(CNc1cc(F)c(F)cc1F)NCCC1=CCCCC1 ZINC000095460340 185370591 /nfs/dbraw/zinc/37/05/91/185370591.db2.gz WDPRBPVFDMXHNT-UHFFFAOYSA-N 0 0 312.335 3.523 50 0 DHAARN C[C@@H](CCO)C1(CNC(=O)c2csc3ccccc23)CCC1 ZINC000095463254 185371237 /nfs/dbraw/zinc/37/12/37/185371237.db2.gz UAFVTPNZAPHISI-ZDUSSCGKSA-N 0 0 317.454 3.820 50 0 DHAARN C[C@H](CCO)C1(CNC(=O)c2csc3ccccc23)CCC1 ZINC000095463255 185371285 /nfs/dbraw/zinc/37/12/85/185371285.db2.gz UAFVTPNZAPHISI-CYBMUJFWSA-N 0 0 317.454 3.820 50 0 DHAARN O=C(/C=C\c1ccccc1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000097011178 185396974 /nfs/dbraw/zinc/39/69/74/185396974.db2.gz UDOBILUJBOEQDA-YAINUAMHSA-N 0 0 323.392 3.896 50 0 DHAARN COc1ccc(Cl)cc1CN[C@@H](C)c1cnc(C)nc1C ZINC000097016646 185397497 /nfs/dbraw/zinc/39/74/97/185397497.db2.gz PHXCMVISUWXOMG-JTQLQIEISA-N 0 0 305.809 3.606 50 0 DHAARN CCNc1ncc(C(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000097020118 185398250 /nfs/dbraw/zinc/39/82/50/185398250.db2.gz QRGAAKVZSOBLPD-UHFFFAOYSA-N 0 0 313.426 3.504 50 0 DHAARN COCC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccco1 ZINC000095468450 185372417 /nfs/dbraw/zinc/37/24/17/185372417.db2.gz PDWCCMNYYZTNKZ-MRXNPFEDSA-N 0 0 317.385 3.574 50 0 DHAARN CC(C)c1nnc(NCc2csc(-c3ccccn3)n2)s1 ZINC000097045328 185402273 /nfs/dbraw/zinc/40/22/73/185402273.db2.gz AMXQLFXZWORRNS-UHFFFAOYSA-N 0 0 317.443 3.792 50 0 DHAARN OCC1CCN(c2ccc(Cl)cc2NCc2ccco2)CC1 ZINC000097048898 185403277 /nfs/dbraw/zinc/40/32/77/185403277.db2.gz GSMURTVNROFDBZ-UHFFFAOYSA-N 0 0 320.820 3.754 50 0 DHAARN COC(=O)c1ccc(NC(=O)Nc2ccccc2SC)cc1 ZINC000020220877 190646352 /nfs/dbraw/zinc/64/63/52/190646352.db2.gz KKHXSINTDQSAKI-UHFFFAOYSA-N 0 0 316.382 3.839 50 0 DHAARN Fc1ccc(-c2noc3ncnc(NCc4ccco4)c32)cc1 ZINC000020574416 190646676 /nfs/dbraw/zinc/64/66/76/190646676.db2.gz ZHONTVHZRDVRDV-UHFFFAOYSA-N 0 0 310.288 3.629 50 0 DHAARN CC(=O)c1ccc(NC(=O)NCCC[C@@H]2CCCCO2)cc1C ZINC000097138348 185414391 /nfs/dbraw/zinc/41/43/91/185414391.db2.gz PECDWVMWPBXBLO-INIZCTEOSA-N 0 0 318.417 3.668 50 0 DHAARN CCSc1cc(Cl)ccc1C(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000097141703 185414906 /nfs/dbraw/zinc/41/49/06/185414906.db2.gz NNWPVUGIVZUVTO-UHFFFAOYSA-N 0 0 322.817 3.701 50 0 DHAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000030828945 190657010 /nfs/dbraw/zinc/65/70/10/190657010.db2.gz RJQWLNFIVQRLQT-UHFFFAOYSA-N 0 0 324.424 3.921 50 0 DHAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(C)=O ZINC000036106566 190662441 /nfs/dbraw/zinc/66/24/41/190662441.db2.gz SNNKOJXFXQFCGW-UHFFFAOYSA-N 0 0 318.442 3.789 50 0 DHAARN C[Si](C)(C)c1cc(Br)cc([Si](C)(C)C)c1 ZINC000169983976 197763805 /nfs/dbraw/zinc/76/38/05/197763805.db2.gz TZFLBWAKFGADPX-UHFFFAOYSA-N 0 0 301.376 3.540 50 0 DHAARN CSCc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)o1 ZINC000040157409 190665757 /nfs/dbraw/zinc/66/57/57/190665757.db2.gz JPPXVHLMMUQXLH-JTQLQIEISA-N 0 0 315.398 3.510 50 0 DHAARN CCCN(CCc1cccs1)C(=O)CCc1cscn1 ZINC000170596678 197782801 /nfs/dbraw/zinc/78/28/01/197782801.db2.gz WFPPXOLSGSRCOS-UHFFFAOYSA-N 0 0 308.472 3.619 50 0 DHAARN c1sc2ncnc(N3CCCOCC3)c2c1-c1ccccc1 ZINC000170599671 197784225 /nfs/dbraw/zinc/78/42/25/197784225.db2.gz GPKJPMIOHJTDDY-UHFFFAOYSA-N 0 0 311.410 3.585 50 0 DHAARN Cn1cc([C@@H]2C[C@@H]2C(=O)Oc2ccc(-c3ccccc3)cc2)cn1 ZINC000063888347 190701829 /nfs/dbraw/zinc/70/18/29/190701829.db2.gz MEUKTRUBRBVPNB-OALUTQOASA-N 0 0 318.376 3.796 50 0 DHAARN Cc1ccc(NC(=O)c2cc(C(C)C)n3nccc3n2)c(C)c1 ZINC000064760757 190704713 /nfs/dbraw/zinc/70/47/13/190704713.db2.gz QWOCYNXRKJXQLE-UHFFFAOYSA-N 0 0 308.385 3.722 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3ccccc3CC)ccc21 ZINC000064818574 190705270 /nfs/dbraw/zinc/70/52/70/190705270.db2.gz BBVXELWFIRRUFA-UHFFFAOYSA-N 0 0 308.385 3.656 50 0 DHAARN CC(C)Cc1ncc2c(n1)CN(C(=O)c1cc3ccccc3o1)C2 ZINC000067894635 190731423 /nfs/dbraw/zinc/73/14/23/190731423.db2.gz GKWVGDFVTSRNSR-UHFFFAOYSA-N 0 0 321.380 3.577 50 0 DHAARN CNC(=O)c1sc2cc(Br)ccc2c1Cl ZINC000069776491 190815945 /nfs/dbraw/zinc/81/59/45/190815945.db2.gz KCANKIFZXLGRPH-UHFFFAOYSA-N 0 0 304.596 3.677 50 0 DHAARN CCc1noc([C@@H](C)Sc2nnc(-c3sccc3C)o2)n1 ZINC000069811525 190822322 /nfs/dbraw/zinc/82/23/22/190822322.db2.gz HSTBMWAIXFIUPV-MRVPVSSYSA-N 0 0 322.415 3.905 50 0 DHAARN CCc1cnc([C@H](C)NCc2cc(OC)c(OC)cc2C)s1 ZINC000083474178 192371522 /nfs/dbraw/zinc/37/15/22/192371522.db2.gz HOYNAYZVTPSPDR-LBPRGKRZSA-N 0 0 320.458 3.882 50 0 DHAARN Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)no1 ZINC000070013125 190848906 /nfs/dbraw/zinc/84/89/06/190848906.db2.gz XRCCOXBJHULHND-NSHDSACASA-N 0 0 317.242 3.547 50 0 DHAARN COc1cccc(C(=O)N[C@@H](C)COc2ccc(Cl)cc2)c1 ZINC000080345913 192150605 /nfs/dbraw/zinc/15/06/05/192150605.db2.gz LMSRAMQSKHIDER-LBPRGKRZSA-N 0 0 319.788 3.546 50 0 DHAARN CC(C)c1ocnc1C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000070957614 190926641 /nfs/dbraw/zinc/92/66/41/190926641.db2.gz IQUWHTDYKMVIMR-UHFFFAOYSA-N 0 0 316.376 3.784 50 0 DHAARN C/C=C/CSCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000083633440 192377230 /nfs/dbraw/zinc/37/72/30/192377230.db2.gz HOFMDBFDDJTWPV-SNAWJCMRSA-N 0 0 315.442 3.737 50 0 DHAARN Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCN(C)C1 ZINC000071294554 190954062 /nfs/dbraw/zinc/95/40/62/190954062.db2.gz PMLYIGFXJXRZKK-UHFFFAOYSA-N 0 0 305.425 3.575 50 0 DHAARN COC(=O)c1ccc([C@H]2SCC(=O)Nc3ccsc32)cc1 ZINC000071283159 190952753 /nfs/dbraw/zinc/95/27/53/190952753.db2.gz IGEYARBXXOARIC-CYBMUJFWSA-N 0 0 319.407 3.959 50 0 DHAARN COCc1nn2c(nccc2-c2ccco2)c1-c1ccc(F)cc1 ZINC000071375844 190963600 /nfs/dbraw/zinc/96/36/00/190963600.db2.gz DZYALPIZCAWMMZ-UHFFFAOYSA-N 0 0 323.327 3.942 50 0 DHAARN CC(C)c1cncnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071415585 190967695 /nfs/dbraw/zinc/96/76/95/190967695.db2.gz PYZIYYBDIDIAED-INIZCTEOSA-N 0 0 317.820 3.831 50 0 DHAARN COc1ccc(CNc2c(C)nn(C(C)C)c2C)cc1OC ZINC000084008421 192395422 /nfs/dbraw/zinc/39/54/22/192395422.db2.gz XLJLARMVYFFGMH-UHFFFAOYSA-N 0 0 303.406 3.710 50 0 DHAARN CCOc1ccc(-c2nccn2[C@@H](C)c2csc(C)n2)cn1 ZINC000071721405 191013080 /nfs/dbraw/zinc/01/30/80/191013080.db2.gz PPXYQYHJBVNIBI-NSHDSACASA-N 0 0 314.414 3.718 50 0 DHAARN O=C(Nc1nccs1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000084525707 192437866 /nfs/dbraw/zinc/43/78/66/192437866.db2.gz ATRMAZLUGICPMN-CQSZACIVSA-N 0 0 301.415 3.772 50 0 DHAARN CCc1[nH]c2c(cc(C)cc2CNc2ncc(C)c(N)n2)c1C ZINC000071750730 191021907 /nfs/dbraw/zinc/02/19/07/191021907.db2.gz QIIARSSESAMQGY-UHFFFAOYSA-N 0 0 309.417 3.640 50 0 DHAARN Cc1c2ccccc2sc1C(=O)N1CCC2(CCCO2)CC1 ZINC000071751511 191021913 /nfs/dbraw/zinc/02/19/13/191021913.db2.gz NUDXTTGNRKKPGG-UHFFFAOYSA-N 0 0 315.438 3.995 50 0 DHAARN c1cnn(-c2ccc(-c3nccn3CCc3ccco3)cc2)c1 ZINC000071764796 191027089 /nfs/dbraw/zinc/02/70/89/191027089.db2.gz DSNLEFOKDHSZQI-UHFFFAOYSA-N 0 0 304.353 3.572 50 0 DHAARN Cc1nccc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000071764843 191028053 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180787801 /nfs/dbraw/zinc/78/78/01/180787801.db2.gz JNKGWFLYFIMGBS-UHFFFAOYSA-N 0 0 314.429 3.656 50 0 DHAARN S=C(/C=C(/c1ccccc1)N1CCOCC1)Nc1ccccc1 ZINC000000456298 180796646 /nfs/dbraw/zinc/79/66/46/180796646.db2.gz LGHRVUMKIJGMAV-SDXDJHTJSA-N 0 0 324.449 3.799 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ccccc2o1 ZINC000000465150 180799185 /nfs/dbraw/zinc/79/91/85/180799185.db2.gz IWGIROCRRGWDRW-VXGBXAGGSA-N 0 0 304.415 3.615 50 0 DHAARN Cc1cc(NC(=O)C(C)C)ccc1NC(=O)c1cccs1 ZINC000000449434 180794360 /nfs/dbraw/zinc/79/43/60/180794360.db2.gz YLLLJIAHTRKMOI-UHFFFAOYSA-N 0 0 302.399 3.903 50 0 DHAARN Cc1ccc(O)c(NC(=O)c2cccc(Br)c2)c1 ZINC000000450525 180794897 /nfs/dbraw/zinc/79/48/97/180794897.db2.gz WVZKZGWJLNLSFX-UHFFFAOYSA-N 0 0 306.159 3.715 50 0 DHAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1COc2ccccc2O1 ZINC000000450040 180794986 /nfs/dbraw/zinc/79/49/86/180794986.db2.gz YGMFMKQLGDEXAT-CQSZACIVSA-N 0 0 324.163 3.772 50 0 DHAARN CCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)ccc12 ZINC000000451617 180795313 /nfs/dbraw/zinc/79/53/13/180795313.db2.gz YIYJEZSEAMQWDA-UHFFFAOYSA-N 0 0 310.349 3.943 50 0 biogenic DHAARN COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000000451358 180795607 /nfs/dbraw/zinc/79/56/07/180795607.db2.gz QJAYNVREKOIHBP-UHFFFAOYSA-N 0 0 305.761 3.675 50 0 DHAARN O=Cc1cc(Br)ccc1OCc1cccc(F)c1 ZINC000000454167 180795813 /nfs/dbraw/zinc/79/58/13/180795813.db2.gz DRRMKDYCXFUJAF-UHFFFAOYSA-N 0 0 309.134 3.980 50 0 DHAARN CCCc1cc(=O)oc2c(C)c(O[C@H]3CCCCC3=O)ccc12 ZINC000000454775 180795855 /nfs/dbraw/zinc/79/58/55/180795855.db2.gz HRCXBPPNKDISCK-KRWDZBQOSA-N 0 0 314.381 3.944 50 0 biogenic DHAARN CCC[C@@H]1CCc2c(sc(NC(=O)CC(C)C)c2C(N)=O)C1 ZINC000000474771 180802811 /nfs/dbraw/zinc/80/28/11/180802811.db2.gz KIMJNUOSZOVDPZ-LLVKDONJSA-N 0 0 322.474 3.737 50 0 DHAARN CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](CC)C2 ZINC000000483850 180805375 /nfs/dbraw/zinc/80/53/75/180805375.db2.gz TVNLYPADSZNEHK-JTQLQIEISA-N 0 0 321.442 3.788 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1cccs1 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Cc1cc(CNC(=O)Nc2c(C)noc2C)c(C(F)(F)F)o1 ZINC000001034925 180842048 /nfs/dbraw/zinc/84/20/48/180842048.db2.gz ZHGDCVHWCPRGGA-UHFFFAOYSA-N 0 0 317.267 3.533 50 0 DHAARN COC(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000001286877 180853069 /nfs/dbraw/zinc/85/30/69/180853069.db2.gz PVNYPHXWWZUNPX-UHFFFAOYSA-N 0 0 305.337 3.674 50 0 DHAARN C[C@@]12C=Cc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000001319998 180854492 /nfs/dbraw/zinc/85/44/92/180854492.db2.gz JEKMKNDURXDJAD-UZWFVJOISA-N 0 0 314.425 3.720 50 0 endogenous,in-man DHAARN Cc1ccc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc1 ZINC000001440296 180867085 /nfs/dbraw/zinc/86/70/85/180867085.db2.gz BOASXBQTDJERNL-UHFFFAOYSA-N 0 0 316.360 3.873 50 0 DHAARN O=C(Nc1ccc(C(=O)c2ccncc2)cc1)c1cccs1 ZINC000001431666 180866620 /nfs/dbraw/zinc/86/66/20/180866620.db2.gz LANIGVIALZQYTH-UHFFFAOYSA-N 0 0 308.362 3.626 50 0 DHAARN O=C(C=Cc1cccs1)NC(=S)NCCC1=CCCCC1 ZINC000001796941 180897445 /nfs/dbraw/zinc/89/74/45/180897445.db2.gz 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ONOAEBWVXJXGLX-UHFFFAOYSA-N 0 0 315.438 3.721 50 0 DHAARN CCc1cccc(C)c1NC(=O)COc1ccc(C(C)=O)cc1 ZINC000002619562 180940244 /nfs/dbraw/zinc/94/02/44/180940244.db2.gz QZLVYXZHYDYIKS-UHFFFAOYSA-N 0 0 311.381 3.778 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000002621179 180940309 /nfs/dbraw/zinc/94/03/09/180940309.db2.gz ZBNRBQKTMKXQSV-UHFFFAOYSA-N 0 0 311.259 3.846 50 0 DHAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)OC ZINC000002732654 180949684 /nfs/dbraw/zinc/94/96/84/180949684.db2.gz KLKZCVPQXRBXGH-UHFFFAOYSA-N 0 0 309.369 3.522 50 0 DHAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C)cc3N2)c1 ZINC000002782694 180956988 /nfs/dbraw/zinc/95/69/88/180956988.db2.gz MJUKBGMCQJNCNH-OLZOCXBDSA-N 0 0 311.307 3.860 50 0 DHAARN COc1ccc(-c2ccnc3c4c(nn32)nc(C)cc4C)cc1 ZINC000002788343 180957316 /nfs/dbraw/zinc/95/73/16/180957316.db2.gz SJWLXNUCSPHMBF-UHFFFAOYSA-N 0 0 304.353 3.570 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002821723 180961275 /nfs/dbraw/zinc/96/12/75/180961275.db2.gz SQBBUNNNSXZCBW-SSDOTTSWSA-N 0 0 307.262 3.787 50 0 DHAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)NC2CCCC2)c1C ZINC000002929731 180970727 /nfs/dbraw/zinc/97/07/27/180970727.db2.gz NMCXDOOXJFZQCO-UHFFFAOYSA-N 0 0 324.424 3.725 50 0 DHAARN O=c1c2ccccc2ncn1CCCOc1cccc(Cl)c1 ZINC000002863046 180964800 /nfs/dbraw/zinc/96/48/00/180964800.db2.gz FRNNWNAUNNFHIZ-UHFFFAOYSA-N 0 0 314.772 3.519 50 0 DHAARN CC[C@@H](COC(=O)Nc1cccc2ccccc21)NC(=O)OC ZINC000002875328 180965726 /nfs/dbraw/zinc/96/57/26/180965726.db2.gz BCNZBYCDOZBIAQ-ZDUSSCGKSA-N 0 0 316.357 3.523 50 0 DHAARN CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C)cc1C ZINC000003017324 180977349 /nfs/dbraw/zinc/97/73/49/180977349.db2.gz UERMBOKQXOCJHP-HNNXBMFYSA-N 0 0 304.434 3.575 50 0 DHAARN COc1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1 ZINC000003128594 180983245 /nfs/dbraw/zinc/98/32/45/180983245.db2.gz KDEOIZFBJGSWFC-UHFFFAOYSA-N 0 0 321.829 3.871 50 0 DHAARN COc1cnc(-c2ccccn2)nc1Oc1ccccc1Cl ZINC000003128555 180983759 /nfs/dbraw/zinc/98/37/59/180983759.db2.gz QFEGXSKDDPDKHS-UHFFFAOYSA-N 0 0 313.744 3.993 50 0 DHAARN CN(C(=O)/C=C/c1ccc(Br)o1)c1ccccc1 ZINC000003187871 180989597 /nfs/dbraw/zinc/98/95/97/180989597.db2.gz MYGHTKFGFWZUHW-CSKARUKUSA-N 0 0 306.159 3.718 50 0 DHAARN CCN(C(=O)C(=O)N(CC)c1ccccc1C)c1ccccc1C ZINC000003199713 180990890 /nfs/dbraw/zinc/99/08/90/180990890.db2.gz UOZGBWBBIDONML-UHFFFAOYSA-N 0 0 324.424 3.709 50 0 DHAARN O=C(CSc1ccc(Cl)cc1)NCCOc1ccccc1 ZINC000003153522 180987074 /nfs/dbraw/zinc/98/70/74/180987074.db2.gz RCUMLMLAVXAZOY-UHFFFAOYSA-N 0 0 321.829 3.627 50 0 DHAARN CN(CC(=O)Nc1ccccc1Cl)Cc1cccc(F)c1 ZINC000003323135 181005583 /nfs/dbraw/zinc/00/55/83/181005583.db2.gz FFINMHVHKNEZQP-UHFFFAOYSA-N 0 0 306.768 3.550 50 0 DHAARN Cc1cc(C)c(C(=O)COc2ncnc3sccc32)cc1C ZINC000003285292 181000132 /nfs/dbraw/zinc/00/01/32/181000132.db2.gz CKGQYHGTRJVABC-UHFFFAOYSA-N 0 0 312.394 3.878 50 0 DHAARN CN(C)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000003287052 181000189 /nfs/dbraw/zinc/00/01/89/181000189.db2.gz FLNLLPBUXDRIEM-UHFFFAOYSA-N 0 0 310.426 3.589 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)c1ccccc1C(F)(F)F ZINC000003281584 181000242 /nfs/dbraw/zinc/00/02/42/181000242.db2.gz VFQPVSJUEUFCDD-UHFFFAOYSA-N 0 0 313.304 3.687 50 0 DHAARN CCc1nnc(NC(=O)CCCSc2ccccc2)s1 ZINC000003288573 181001025 /nfs/dbraw/zinc/00/10/25/181001025.db2.gz IADWLEWHQGNLJG-UHFFFAOYSA-N 0 0 307.444 3.612 50 0 DHAARN O=C(Cn1cnc2ccccc21)OCc1cccc2ccccc21 ZINC000003292918 181001666 /nfs/dbraw/zinc/00/16/66/181001666.db2.gz QKFNXHITBLNZTG-UHFFFAOYSA-N 0 0 316.360 3.933 50 0 DHAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccn1 ZINC000003309744 181002670 /nfs/dbraw/zinc/00/26/70/181002670.db2.gz UAMMGCKOJJDHHI-UHFFFAOYSA-N 0 0 304.349 3.913 50 0 DHAARN CCOc1cc(/C=C2\c3ccccc3N(C)C2=O)ccc1OC ZINC000003372351 181012009 /nfs/dbraw/zinc/01/20/09/181012009.db2.gz HJINHONMLOAWMG-RVDMUPIBSA-N 0 0 309.365 3.611 50 0 DHAARN COc1cccc(C(=O)OCc2c(F)cccc2Cl)c1OC ZINC000003370668 181012310 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CCc1cc2c([nH]c(=S)n(-c3cccc(OC)c3)c2=O)s1 ZINC000017054711 182071995 /nfs/dbraw/zinc/07/19/95/182071995.db2.gz ZDUYGPVVCDWAJO-UHFFFAOYSA-N 0 0 318.423 3.681 50 0 DHAARN C[C@@H](NC(=O)NCCc1ccccc1)c1cccc(Cl)c1 ZINC000017115781 182075793 /nfs/dbraw/zinc/07/57/93/182075793.db2.gz MOYXQUPKSNMVFM-CYBMUJFWSA-N 0 0 302.805 3.943 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCC2)cc1C ZINC000017120378 182076404 /nfs/dbraw/zinc/07/64/04/182076404.db2.gz LNYRLELPQBAELT-UHFFFAOYSA-N 0 0 307.401 3.787 50 0 DHAARN COCc1c(C(=O)Nc2ccncc2)sc2cccc(F)c21 ZINC000017585636 182084635 /nfs/dbraw/zinc/08/46/35/182084635.db2.gz ACMAZUHNXWTPTA-UHFFFAOYSA-N 0 0 316.357 3.834 50 0 DHAARN CCCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017270436 182080744 /nfs/dbraw/zinc/08/07/44/182080744.db2.gz QPTGNYFEMIECSU-UHFFFAOYSA-N 0 0 315.808 3.989 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000017907979 182087541 /nfs/dbraw/zinc/08/75/41/182087541.db2.gz OCGSVNBYJZYIME-NSHDSACASA-N 0 0 316.788 3.789 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000017302551 182082404 /nfs/dbraw/zinc/08/24/04/182082404.db2.gz QKHHOXPHPGOAOO-UHFFFAOYSA-N 0 0 319.364 3.688 50 0 DHAARN COc1ccc(Oc2c(C)[nH]nc2-c2ccc(O)cc2O)cc1 ZINC000018083446 182092835 /nfs/dbraw/zinc/09/28/35/182092835.db2.gz AZSKFDMVCSRCDG-UHFFFAOYSA-N 0 0 312.325 3.597 50 0 DHAARN Cc1ccccc1Nc1ncnc2c1cnn2Cc1ccccc1 ZINC000018145491 182094800 /nfs/dbraw/zinc/09/48/00/182094800.db2.gz SKVAMPTUWGSEDX-UHFFFAOYSA-N 0 0 315.380 3.927 50 0 DHAARN CCC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000018135138 182094595 /nfs/dbraw/zinc/09/45/95/182094595.db2.gz QHFPDTVOZRAILI-IBGZPJMESA-N 0 0 324.424 3.845 50 0 DHAARN CCCCSc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000017946011 182088318 /nfs/dbraw/zinc/08/83/18/182088318.db2.gz AVOYJRKSQUCXIX-ZIAGYGMSSA-N 0 0 307.459 3.828 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000018029468 182089741 /nfs/dbraw/zinc/08/97/41/182089741.db2.gz ZVWXFWULDPMRPC-UHFFFAOYSA-N 0 0 304.349 3.932 50 0 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3.758 50 0 DHAARN CCN(C(=O)NCc1noc2ccccc12)c1ccccc1C ZINC000020516651 182226356 /nfs/dbraw/zinc/22/63/56/182226356.db2.gz BUWGNKLKLDKCCQ-UHFFFAOYSA-N 0 0 309.369 3.872 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3NCC(C)C)cc1Cl ZINC000020662130 182242071 /nfs/dbraw/zinc/24/20/71/182242071.db2.gz KUJIJLQKXBXXFP-UHFFFAOYSA-N 0 0 315.808 3.845 50 0 DHAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020733820 182244884 /nfs/dbraw/zinc/24/48/84/182244884.db2.gz GNXKVWAKDKEQPL-JKDFXYPNSA-N 0 0 300.402 3.580 50 0 DHAARN CCn1ccc2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)ccc21 ZINC000097732677 193751598 /nfs/dbraw/zinc/75/15/98/193751598.db2.gz MGJPKRRWBAGIFW-ZWKOTPCHSA-N 0 0 304.393 3.947 50 0 DHAARN Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000020603194 182237036 /nfs/dbraw/zinc/23/70/36/182237036.db2.gz FBFLVMBXKYWTOS-LLVKDONJSA-N 0 0 309.772 3.882 50 0 DHAARN Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1 ZINC000020604800 182237254 /nfs/dbraw/zinc/23/72/54/182237254.db2.gz ADPGDSXGYVHQJU-UHFFFAOYSA-N 0 0 312.442 3.992 50 0 DHAARN CSc1cccc(NC(=O)C[C@@H](C)n2nc(C)cc2C)c1 ZINC000020603160 182237285 /nfs/dbraw/zinc/23/72/85/182237285.db2.gz GPLCDMPSOVWRMH-CYBMUJFWSA-N 0 0 303.431 3.812 50 0 DHAARN Cc1ccnn1C[C@H](C)CNC(=O)Nc1cccc2ccccc21 ZINC000020606976 182237674 /nfs/dbraw/zinc/23/76/74/182237674.db2.gz FSKNDFCDEUWWDU-CQSZACIVSA-N 0 0 322.412 3.803 50 0 DHAARN Cc1cc(NC(=O)c2cc3c(s2)CCCC3)nn1C(C)C ZINC000020606464 182237950 /nfs/dbraw/zinc/23/79/50/182237950.db2.gz LRJDQINFJZPLQM-UHFFFAOYSA-N 0 0 303.431 3.965 50 0 DHAARN CN(C(=O)c1noc2c1COc1ccccc1-2)c1ccc(F)cc1 ZINC000020901984 182252943 /nfs/dbraw/zinc/25/29/43/182252943.db2.gz AUGPHDQPLMIXJU-UHFFFAOYSA-N 0 0 324.311 3.650 50 0 DHAARN CCC[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1 ZINC000020905660 182253766 /nfs/dbraw/zinc/25/37/66/182253766.db2.gz WNIBBPHIUDVZQS-SFHVURJKSA-N 0 0 320.396 3.539 50 0 DHAARN Cc1scc(C(=O)N(C)Cc2cnccn2)c1-c1ccccc1 ZINC000020914232 182253845 /nfs/dbraw/zinc/25/38/45/182253845.db2.gz VXLWODWHAUJGNP-UHFFFAOYSA-N 0 0 323.421 3.786 50 0 DHAARN CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3n[nH]cc32)cc1 ZINC000020733665 182245149 /nfs/dbraw/zinc/24/51/49/182245149.db2.gz AENPWSWTFUXLTA-AWEZNQCLSA-N 0 0 303.387 3.621 50 0 DHAARN CSc1cccc(CNC(=O)Cc2csc(C(C)=O)c2)c1 ZINC000020776260 182246876 /nfs/dbraw/zinc/24/68/76/182246876.db2.gz PEFXQSSVRJGUMG-UHFFFAOYSA-N 0 0 319.451 3.532 50 0 DHAARN CC(=O)Nc1ccc(OCCOc2cccc(Cl)c2)cc1 ZINC000020821015 182247648 /nfs/dbraw/zinc/24/76/48/182247648.db2.gz DBWBJPNWRRXJJS-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN Fc1ccc(-c2[nH]nc3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000020848991 182249350 /nfs/dbraw/zinc/24/93/50/182249350.db2.gz ONSABEKNXHPDMU-UHFFFAOYSA-N 0 0 321.311 3.688 50 0 DHAARN Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020865650 182250945 /nfs/dbraw/zinc/25/09/45/182250945.db2.gz BLDXRGAPKYCQLG-YRGRVCCFSA-N 0 0 317.458 3.797 50 0 DHAARN CCc1nc(SC)ncc1C(=O)Nc1cc(Cl)ccc1C ZINC000020931680 182255244 /nfs/dbraw/zinc/25/52/44/182255244.db2.gz NSVQKHXHGVNTCY-UHFFFAOYSA-N 0 0 321.833 3.975 50 0 DHAARN Cc1nc2cccnc2n1-c1cccc(C(=O)NCCC(C)C)c1 ZINC000020934291 182255311 /nfs/dbraw/zinc/25/53/11/182255311.db2.gz ZDWCFTIICRNTIE-UHFFFAOYSA-N 0 0 322.412 3.505 50 0 DHAARN Cc1occc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000020937677 182255873 /nfs/dbraw/zinc/25/58/73/182255873.db2.gz WENYRAVJKDGMBF-VIFPVBQESA-N 0 0 308.175 3.842 50 0 DHAARN Cn1[nH]c(-c2ccccn2)c2nc(-c3cccc(Cl)c3)nc1-2 ZINC000020998775 182258582 /nfs/dbraw/zinc/25/85/82/182258582.db2.gz TVXCTVAMMGLFKV-UHFFFAOYSA-N 0 0 309.760 3.679 50 0 DHAARN Cc1cccc([C@@H](CC(=O)Nc2nccs2)n2cccc2)c1 ZINC000020998851 182258690 /nfs/dbraw/zinc/25/86/90/182258690.db2.gz DICAWHLKJHVPGJ-OAHLLOKOSA-N 0 0 311.410 3.871 50 0 DHAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)nc1 ZINC000021383048 182273878 /nfs/dbraw/zinc/27/38/78/182273878.db2.gz FYXFIFRTIWPKNW-UHFFFAOYSA-N 0 0 307.353 3.616 50 0 DHAARN COc1ccc(-c2noc(NCCc3cccc(C)c3)n2)cc1 ZINC000021158355 182267179 /nfs/dbraw/zinc/26/71/79/182267179.db2.gz LTXGUJOXYSATBB-UHFFFAOYSA-N 0 0 309.369 3.708 50 0 DHAARN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)o1 ZINC000021188357 182268864 /nfs/dbraw/zinc/26/88/64/182268864.db2.gz YMDQUJHHIRTGPG-ZDUSSCGKSA-N 0 0 319.426 3.506 50 0 DHAARN CCCc1cc(C(=O)N2CCC[C@@H]2c2cc(CCC)on2)no1 ZINC000021719152 182285449 /nfs/dbraw/zinc/28/54/49/182285449.db2.gz OKFSMYFKZPNQRP-MRXNPFEDSA-N 0 0 317.389 3.545 50 0 DHAARN CCOc1ccccc1C(=O)N(Cc1ccco1)c1ccccn1 ZINC000021524361 182278779 /nfs/dbraw/zinc/27/87/79/182278779.db2.gz ZIHCGLMZVYLAEA-UHFFFAOYSA-N 0 0 322.364 3.920 50 0 DHAARN Cc1ccc(C)c(-n2ccnc(NCc3ccc(F)cc3)c2=O)c1 ZINC000021536967 182278967 /nfs/dbraw/zinc/27/89/67/182278967.db2.gz KVOGYIMKWAWPFK-UHFFFAOYSA-N 0 0 323.371 3.601 50 0 DHAARN Cc1ccc(-c2noc3ncnc(NCc4ccco4)c32)cc1 ZINC000021650699 182282769 /nfs/dbraw/zinc/28/27/69/182282769.db2.gz SXQBPZNFFVTLNA-UHFFFAOYSA-N 0 0 306.325 3.798 50 0 DHAARN CCc1cc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)on1 ZINC000021719592 182286619 /nfs/dbraw/zinc/28/66/19/182286619.db2.gz NQWQHVJMSFVIKT-HNNXBMFYSA-N 0 0 318.804 3.797 50 0 DHAARN Cc1ccc(C)c(C(=O)CCC(=O)NCCc2cccs2)c1 ZINC000021911783 182298185 /nfs/dbraw/zinc/29/81/85/182298185.db2.gz WEFAVRAVDOFIRW-UHFFFAOYSA-N 0 0 315.438 3.687 50 0 DHAARN CSc1cccc(NC(=O)c2cncn2-c2ccccc2)c1 ZINC000021782328 182288379 /nfs/dbraw/zinc/28/83/79/182288379.db2.gz PYRHPHNKDKRLJJ-UHFFFAOYSA-N 0 0 309.394 3.847 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccccc1F ZINC000021791304 182289194 /nfs/dbraw/zinc/28/91/94/182289194.db2.gz RYVNNRMZGGSMEP-HNNXBMFYSA-N 0 0 300.333 3.668 50 0 DHAARN CN(Cc1cccc(Cl)c1)C(=O)c1cc(Cl)ccc1O ZINC000021916366 182298228 /nfs/dbraw/zinc/29/82/28/182298228.db2.gz RVNGIVOUYDTDBI-UHFFFAOYSA-N 0 0 310.180 3.971 50 0 DHAARN Cc1cccc(C)c1OCCN1c2ccccc2NC[C@H](C)C1=O ZINC000021793525 182289958 /nfs/dbraw/zinc/28/99/58/182289958.db2.gz QPQCTYQVNNJHNN-INIZCTEOSA-N 0 0 324.424 3.777 50 0 DHAARN CCn1nccc1[C@H]1CCCN1C(=O)Nc1cccc(C)c1C ZINC000021791729 182290123 /nfs/dbraw/zinc/29/01/23/182290123.db2.gz FAZUJMULDZRWBA-MRXNPFEDSA-N 0 0 312.417 3.889 50 0 DHAARN CCCC[C@@H](CC)C(=O)n1nc(-c2ccc(C)cc2)nc1N ZINC000021804626 182290951 /nfs/dbraw/zinc/29/09/51/182290951.db2.gz MJTVLPGVNFCPPO-CYBMUJFWSA-N 0 0 300.406 3.692 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3ccc(C)o3)cc2)n1 ZINC000021839882 182294555 /nfs/dbraw/zinc/29/45/55/182294555.db2.gz CRSPNJYXECDDJD-OAHLLOKOSA-N 0 0 323.396 3.882 50 0 DHAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000021893988 182296715 /nfs/dbraw/zinc/29/67/15/182296715.db2.gz YVFUOJPUJBYNCZ-UHFFFAOYSA-N 0 0 313.357 3.681 50 0 DHAARN CCOCCCNC(=O)c1ccccc1Nc1ccc(F)cc1 ZINC000021900004 182297474 /nfs/dbraw/zinc/29/74/74/182297474.db2.gz CVHGRXAYGZPTHK-UHFFFAOYSA-N 0 0 316.376 3.726 50 0 DHAARN COc1ccccc1CN(C)C(=O)CCn1ccc2ccccc21 ZINC000021923069 182298463 /nfs/dbraw/zinc/29/84/63/182298463.db2.gz NLDSTYCIFUKROU-UHFFFAOYSA-N 0 0 322.408 3.699 50 0 DHAARN O=C(c1cccnc1-c1ccc(F)c(Cl)c1)N1CCCC1 ZINC000097819519 193760390 /nfs/dbraw/zinc/76/03/90/193760390.db2.gz REQKSDSXDJGJGT-UHFFFAOYSA-N 0 0 304.752 3.777 50 0 DHAARN CN(C)c1ccc(CCC(=O)Nc2cccc3ncccc32)cc1 ZINC000021973848 182300909 /nfs/dbraw/zinc/30/09/09/182300909.db2.gz FPVADOHQVKJULL-UHFFFAOYSA-N 0 0 319.408 3.872 50 0 DHAARN CCCCCN(C)C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000022326676 182318302 /nfs/dbraw/zinc/31/83/02/182318302.db2.gz MKBKVLODAJLYEM-UHFFFAOYSA-N 0 0 302.374 3.612 50 0 DHAARN Cc1noc(-c2ccncc2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000022638243 182329629 /nfs/dbraw/zinc/32/96/29/182329629.db2.gz PBQRMTHECKYURS-LBPRGKRZSA-N 0 0 307.353 3.536 50 0 DHAARN CC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000022462995 182321996 /nfs/dbraw/zinc/32/19/96/182321996.db2.gz SSOAYAVMCRGRPE-UHFFFAOYSA-N 0 0 322.368 3.783 50 0 DHAARN CCCCC(=O)Nc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000022463049 182322437 /nfs/dbraw/zinc/32/24/37/182322437.db2.gz LEUDHDVHSHYHEJ-UHFFFAOYSA-N 0 0 322.368 3.927 50 0 DHAARN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000022480222 182323738 /nfs/dbraw/zinc/32/37/38/182323738.db2.gz KFKSIKZTOLJOQS-UHFFFAOYSA-N 0 0 309.287 3.514 50 0 DHAARN Cc1c(C(=O)N[C@@H](C)C(C)C)sc2nc(C3CC3)nc(C)c12 ZINC000022977354 182344095 /nfs/dbraw/zinc/34/40/95/182344095.db2.gz KNAZQGLFXWBIRS-JTQLQIEISA-N 0 0 317.458 3.960 50 0 DHAARN c1sc(-c2ccccn2)nc1CN1CCc2ccccc2C1 ZINC000022910439 182340296 /nfs/dbraw/zinc/34/02/96/182340296.db2.gz AQBNJBLLYZDESD-UHFFFAOYSA-N 0 0 307.422 3.763 50 0 DHAARN O=C(CCc1ccccc1O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000023387220 182358994 /nfs/dbraw/zinc/35/89/94/182358994.db2.gz PGSKNOHOLBQFGT-CHWSQXEVSA-N 0 0 315.335 3.562 50 0 DHAARN CC(C)N1C[C@H](c2nc(-c3ccc(Cl)s3)c[nH]2)CC1=O ZINC000023398122 182360177 /nfs/dbraw/zinc/36/01/77/182360177.db2.gz BCRGADJEAMRMTA-SECBINFHSA-N 0 0 309.822 3.516 50 0 DHAARN COc1ccc(CCC(=O)N[C@@H](C)c2cccs2)cc1OC ZINC000023435117 182360844 /nfs/dbraw/zinc/36/08/44/182360844.db2.gz GJMRXQAARVTENY-LBPRGKRZSA-N 0 0 319.426 3.575 50 0 DHAARN Cc1ccc(C(=O)Oc2ccc3c(c2)oc(=O)cc3C(C)C)cn1 ZINC000023448396 182361795 /nfs/dbraw/zinc/36/17/95/182361795.db2.gz FYXYEFRVIXYENA-UHFFFAOYSA-N 0 0 323.348 3.839 50 0 DHAARN COc1ccccc1NC(=O)CCC(=O)c1cc(C)sc1C ZINC000023709767 182366353 /nfs/dbraw/zinc/36/63/53/182366353.db2.gz CYHKYXMJTFVBMI-UHFFFAOYSA-N 0 0 317.410 3.975 50 0 DHAARN CCc1ccc(-c2noc(CN3CCc4ccccc4C3)n2)cc1 ZINC000024193271 182376579 /nfs/dbraw/zinc/37/65/79/182376579.db2.gz BETGISFHOCTYMF-UHFFFAOYSA-N 0 0 319.408 3.857 50 0 DHAARN C[C@H](NC(=O)/C=C\c1ccnc2ccccc12)c1cccnc1 ZINC000098010444 193774118 /nfs/dbraw/zinc/77/41/18/193774118.db2.gz RNVGJOFGSOIFKQ-CKXPSTMWSA-N 0 0 303.365 3.520 50 0 DHAARN Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)no1 ZINC000023762049 182368542 /nfs/dbraw/zinc/36/85/42/182368542.db2.gz HKKRCPGRTGZLPA-QGZVFWFLSA-N 0 0 306.365 3.697 50 0 DHAARN C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000023864216 182369737 /nfs/dbraw/zinc/36/97/37/182369737.db2.gz XQKWUFVWEBZNTG-SNVBAGLBSA-N 0 0 313.781 3.519 50 0 DHAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccsc1 ZINC000023880678 182369977 /nfs/dbraw/zinc/36/99/77/182369977.db2.gz JAEFGRZXLRDULN-UHFFFAOYSA-N 0 0 321.352 3.765 50 0 DHAARN Cc1oc(C)c(C(=O)NCCCn2ccc3ccccc32)c1C ZINC000024347913 182379667 /nfs/dbraw/zinc/37/96/67/182379667.db2.gz RSWROAXYOSEYTK-UHFFFAOYSA-N 0 0 310.397 3.980 50 0 DHAARN CCC[C@@H](C)NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000024471223 182381695 /nfs/dbraw/zinc/38/16/95/182381695.db2.gz ANUMXYWVAHPHTH-CYBMUJFWSA-N 0 0 318.442 3.949 50 0 DHAARN CC(C)NC(=O)Nc1cccc(NC(=O)c2ccsc2)c1 ZINC000024545312 182383312 /nfs/dbraw/zinc/38/33/12/182383312.db2.gz YGQOFZXSQGDQOZ-UHFFFAOYSA-N 0 0 303.387 3.530 50 0 DHAARN O=C(N[C@H]1CCOc2ccccc21)c1cc2c(s1)CCCC2 ZINC000024646463 182386140 /nfs/dbraw/zinc/38/61/40/182386140.db2.gz HVENXDMDYWMLOK-AWEZNQCLSA-N 0 0 313.422 3.881 50 0 DHAARN Cc1ccc(CCC(=O)Oc2ccc3c(c2)OCO3)cc1Cl ZINC000024689415 182387575 /nfs/dbraw/zinc/38/75/75/182387575.db2.gz JREHYAGTTGAGFL-UHFFFAOYSA-N 0 0 318.756 3.915 50 0 DHAARN Cc1ccoc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024694161 182387711 /nfs/dbraw/zinc/38/77/11/182387711.db2.gz WUTPQPJZNRDJHL-CYBMUJFWSA-N 0 0 310.353 3.749 50 0 DHAARN CC(C)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 ZINC000025009326 182398745 /nfs/dbraw/zinc/39/87/45/182398745.db2.gz HVOSGDHQMGZSFL-UHFFFAOYSA-N 0 0 305.381 3.681 50 0 DHAARN OCCCSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000025046953 182399487 /nfs/dbraw/zinc/39/94/87/182399487.db2.gz HXGLZZVMCIUAJQ-UHFFFAOYSA-N 0 0 320.414 3.972 50 0 DHAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3)n2)C1(C)C ZINC000025162500 182403789 /nfs/dbraw/zinc/40/37/89/182403789.db2.gz NCMVYIVNXTXASO-KGLIPLIRSA-N 0 0 310.401 3.649 50 0 DHAARN Cc1ccc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)[nH]c2c1 ZINC000024860286 182392800 /nfs/dbraw/zinc/39/28/00/182392800.db2.gz CFEYUWUMGBWYLA-UHFFFAOYSA-N 0 0 322.364 3.890 50 0 DHAARN C[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000024923598 182394742 /nfs/dbraw/zinc/39/47/42/182394742.db2.gz FNHYRWKZCMTADH-ZDUSSCGKSA-N 0 0 305.377 3.913 50 0 DHAARN C[C@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000024929598 182395088 /nfs/dbraw/zinc/39/50/88/182395088.db2.gz OEENRHDGSQZCNN-KWQFWETISA-N 0 0 308.353 3.607 50 0 DHAARN CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(F)cc1F ZINC000024949822 182395684 /nfs/dbraw/zinc/39/56/84/182395684.db2.gz ZQJPQAFRUXLQOR-UHFFFAOYSA-N 0 0 315.323 3.647 50 0 DHAARN CC(=Cc1cc(F)ccc1F)c1nc(=O)c2ccsc2[nH]1 ZINC000098053233 193778657 /nfs/dbraw/zinc/77/86/57/193778657.db2.gz QWAZOGAHRKGXKA-SOFGYWHQSA-N 0 0 304.321 3.823 50 0 DHAARN CC(=O)Nc1ccc(CC(=O)O[C@@H](C)c2ccc(F)cc2)cc1 ZINC000025624390 182418439 /nfs/dbraw/zinc/41/84/39/182418439.db2.gz BWVQACSGADUHGT-LBPRGKRZSA-N 0 0 315.344 3.631 50 0 DHAARN CC1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000025707242 182421092 /nfs/dbraw/zinc/42/10/92/182421092.db2.gz KLAIEKJUTPVOLL-UHFFFAOYSA-N 0 0 313.422 3.851 50 0 DHAARN COc1cc(NC(=O)c2ccc(-n3cccc3)cc2)cc(OC)c1 ZINC000026532203 182444962 /nfs/dbraw/zinc/44/49/62/182444962.db2.gz SIPXAZCTFZBSIN-UHFFFAOYSA-N 0 0 322.364 3.747 50 0 DHAARN Clc1nc(Cl)c2ccc(I)cc2n1 ZINC000026894470 182457222 /nfs/dbraw/zinc/45/72/22/182457222.db2.gz OAZYTNLOQKCMDG-UHFFFAOYSA-N 0 0 324.936 3.541 50 0 DHAARN CC(C)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027794246 182491580 /nfs/dbraw/zinc/49/15/80/182491580.db2.gz QFMOHZMACGWPCM-UHFFFAOYSA-N 0 0 309.163 3.699 50 0 DHAARN CC(C)c1noc([C@H](C)N(C)Cc2nc3ccccc3s2)n1 ZINC000027809237 182491857 /nfs/dbraw/zinc/49/18/57/182491857.db2.gz WBMWAUUMGFDRHV-NSHDSACASA-N 0 0 316.430 3.996 50 0 DHAARN O=C(NCc1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000028539807 182528492 /nfs/dbraw/zinc/52/84/92/182528492.db2.gz TWVYIOGPHLZGCA-UHFFFAOYSA-N 0 0 319.286 3.512 50 0 DHAARN C[C@H](Cc1ccco1)NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000028415027 182523628 /nfs/dbraw/zinc/52/36/28/182523628.db2.gz CUHLJEPHCLTNMV-SNVBAGLBSA-N 0 0 312.822 3.767 50 0 DHAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000098212966 193792380 /nfs/dbraw/zinc/79/23/80/193792380.db2.gz YYLCYIMJCQQDEA-ZDUSSCGKSA-N 0 0 315.373 3.809 50 0 DHAARN C[C@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccccn1 ZINC000028780157 182538994 /nfs/dbraw/zinc/53/89/94/182538994.db2.gz QPLWGYZUPXUCSR-RYUDHWBXSA-N 0 0 300.427 3.759 50 0 DHAARN C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)ccn3)sc2C1 ZINC000028790908 182539446 /nfs/dbraw/zinc/53/94/46/182539446.db2.gz KQOIQLBYMBXQMC-MRVPVSSYSA-N 0 0 307.806 3.569 50 0 DHAARN CC[C@@H](C(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1ccccc1 ZINC000029017636 182548838 /nfs/dbraw/zinc/54/88/38/182548838.db2.gz ALQIYPNHLVYUBN-CYBMUJFWSA-N 0 0 316.788 3.571 50 0 DHAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)NCCc1cccs1 ZINC000029004592 182548091 /nfs/dbraw/zinc/54/80/91/182548091.db2.gz QUCKNGKSHYZBSP-UHFFFAOYSA-N 0 0 312.438 3.748 50 0 DHAARN Cc1ccc2c(CC(=O)N3CCn4cccc4[C@H]3C)coc2c1 ZINC000030265632 182587459 /nfs/dbraw/zinc/58/74/59/182587459.db2.gz GWHMAPVCNVOAKS-CQSZACIVSA-N 0 0 308.381 3.689 50 0 DHAARN Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000031127872 182607202 /nfs/dbraw/zinc/60/72/02/182607202.db2.gz WBDVHDAQUIDSHJ-CYBMUJFWSA-N 0 0 310.353 3.749 50 0 DHAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3nccs3)s2)o1 ZINC000031208173 182608767 /nfs/dbraw/zinc/60/87/67/182608767.db2.gz UGERNCSPXDCHJA-UHFFFAOYSA-N 0 0 305.384 3.729 50 0 DHAARN Nc1nc2c(s1)[C@@H](c1cccc(Br)c1)CC(=O)N2 ZINC000032090704 182634102 /nfs/dbraw/zinc/63/41/02/182634102.db2.gz HZKUBEKJYCYOOQ-MRVPVSSYSA-N 0 0 324.203 3.611 50 0 DHAARN Nc1nc2c(s1)[C@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000032092989 182634174 /nfs/dbraw/zinc/63/41/74/182634174.db2.gz LSKMROFRPHRCMJ-YFKPBYRVSA-N 0 0 314.197 3.506 50 0 DHAARN O=C(NCc1cccc(Cl)c1)c1noc2c1CCCCC2 ZINC000032089228 182634240 /nfs/dbraw/zinc/63/42/40/182634240.db2.gz VVRYPPAIBJCTNE-UHFFFAOYSA-N 0 0 304.777 3.527 50 0 DHAARN CC(C)c1noc(Cn2c3ccccc3nc2C(F)(F)F)n1 ZINC000031818142 182624660 /nfs/dbraw/zinc/62/46/60/182624660.db2.gz LMDWSXXWVPHZNT-UHFFFAOYSA-N 0 0 310.279 3.610 50 0 DHAARN O=C(c1ccc(F)cc1F)N1CCC(c2ccccc2)CC1 ZINC000032368051 182640710 /nfs/dbraw/zinc/64/07/10/182640710.db2.gz UDRUWLXORIDSHE-UHFFFAOYSA-N 0 0 301.336 3.985 50 0 DHAARN CCN(CC)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000032753118 182659024 /nfs/dbraw/zinc/65/90/24/182659024.db2.gz DCXRNTLDZYAQKR-UHFFFAOYSA-N 0 0 303.431 3.668 50 0 DHAARN COc1cc(C(=O)Nc2ccc(NC(C)=O)c(C)c2)ccc1C ZINC000032753768 182659287 /nfs/dbraw/zinc/65/92/87/182659287.db2.gz BWCIXZMKSCTWFN-UHFFFAOYSA-N 0 0 312.369 3.523 50 0 DHAARN COc1ccc2cc(C(=O)N[C@H](C)CCc3ccccc3)[nH]c2c1 ZINC000032755478 182660187 /nfs/dbraw/zinc/66/01/87/182660187.db2.gz XETGCWLCFHTIKF-CQSZACIVSA-N 0 0 322.408 3.928 50 0 DHAARN CCOc1ccccc1CCC(=O)Nc1n[nH]c2ccccc21 ZINC000032787049 182663869 /nfs/dbraw/zinc/66/38/69/182663869.db2.gz DFCDMVDHZWPNKO-UHFFFAOYSA-N 0 0 309.369 3.533 50 0 DHAARN Cc1ncc(CNC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000032611480 182651026 /nfs/dbraw/zinc/65/10/26/182651026.db2.gz GVNWCUYRQGZQPF-UHFFFAOYSA-N 0 0 301.198 3.688 50 0 DHAARN Cc1ccc(NC(=O)OCC(F)(F)F)c(Br)c1 ZINC000032628792 182651485 /nfs/dbraw/zinc/65/14/85/182651485.db2.gz XDBYVTLOSMTJGC-UHFFFAOYSA-N 0 0 312.085 3.868 50 0 DHAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc(N(C)C)c1 ZINC000032796605 182664870 /nfs/dbraw/zinc/66/48/70/182664870.db2.gz VLFTZRFAMCQZEY-CQSZACIVSA-N 0 0 312.413 3.594 50 0 DHAARN CCCOc1ccccc1OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000032958187 182684912 /nfs/dbraw/zinc/68/49/12/182684912.db2.gz YHTRJWMXGDWDNB-GASCZTMLSA-N 0 0 305.418 3.644 50 0 DHAARN CCc1noc(-c2ccccc2NC(=O)c2ccc(OC)cc2)n1 ZINC000033012688 182688905 /nfs/dbraw/zinc/68/89/05/182688905.db2.gz VJGCDQBSOHRAHT-UHFFFAOYSA-N 0 0 323.352 3.560 50 0 DHAARN COc1ccc(CNC(=O)c2sc(C(C)C)nc2C)cc1 ZINC000032924058 182681281 /nfs/dbraw/zinc/68/12/81/182681281.db2.gz JJQILVNBKMIUDY-UHFFFAOYSA-N 0 0 304.415 3.514 50 0 DHAARN Cc1ccc(CCNC(=O)c2cc(C)nc3ccccc32)cc1 ZINC000033252801 182697582 /nfs/dbraw/zinc/69/75/82/182697582.db2.gz MGOHCSVXYNLWRR-UHFFFAOYSA-N 0 0 304.393 3.824 50 0 DHAARN CCc1nc(-c2ccc(NC(=O)NCc3ccccc3)cc2)no1 ZINC000033257292 182698671 /nfs/dbraw/zinc/69/86/71/182698671.db2.gz PJNHPKKGWRHUGM-UHFFFAOYSA-N 0 0 322.368 3.621 50 0 DHAARN CN1c2ccccc2[C@H](Cc2ccc(Br)cc2)C1=O ZINC000101016350 193806317 /nfs/dbraw/zinc/80/63/17/193806317.db2.gz QUSGHSKJQIGAHW-AWEZNQCLSA-N 0 0 316.198 3.752 50 0 DHAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000033086835 182691439 /nfs/dbraw/zinc/69/14/39/182691439.db2.gz QAXSFDSMDOATDI-CYBMUJFWSA-N 0 0 304.415 3.513 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)/C=C\c2cccs2)c(C)c1 ZINC000033762497 182722126 /nfs/dbraw/zinc/72/21/26/182722126.db2.gz MMSCOLXRTSITON-VURMDHGXSA-N 0 0 315.394 3.560 50 0 DHAARN CCN(C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(CC)n1 ZINC000034902071 182742387 /nfs/dbraw/zinc/74/23/87/182742387.db2.gz JEJFULNJQUDVDU-UHFFFAOYSA-N 0 0 313.445 3.959 50 0 DHAARN O=C1C(=Cc2c[nH]c3ccccc23)NC(=S)N1c1ccccc1 ZINC000034927074 182744474 /nfs/dbraw/zinc/74/44/74/182744474.db2.gz LPUMASDYXGPFNI-MHWRWJLKSA-N 0 0 319.389 3.841 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccn1-c1cccnc1 ZINC000035396923 182774342 /nfs/dbraw/zinc/77/43/42/182774342.db2.gz ADBFZAQXLJAPPD-INIZCTEOSA-N 0 0 319.408 3.623 50 0 DHAARN CC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C ZINC000035476066 182776970 /nfs/dbraw/zinc/77/69/70/182776970.db2.gz JDGUWCTWVYIQQI-UHFFFAOYSA-N 0 0 314.433 3.562 50 0 DHAARN C[C@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2C[C@@H]1C ZINC000036437950 182825670 /nfs/dbraw/zinc/82/56/70/182825670.db2.gz AIBCUUJDBNJJKX-JKSUJKDBSA-N 0 0 308.425 3.657 50 0 DHAARN Cc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c(C)o1 ZINC000036659480 182834134 /nfs/dbraw/zinc/83/41/34/182834134.db2.gz VWBVHQKIVBEWLB-UHFFFAOYSA-N 0 0 323.308 3.945 50 0 DHAARN Cc1cc2ccccc2n1CC(=O)NCc1cc(F)cc(F)c1 ZINC000036747885 182839856 /nfs/dbraw/zinc/83/98/56/182839856.db2.gz PDHSEXKYVCQTDU-UHFFFAOYSA-N 0 0 314.335 3.544 50 0 DHAARN Cc1ccc(CNc2ccc(CC(=O)NC(C)C)cc2)cc1C ZINC000037555059 182906639 /nfs/dbraw/zinc/90/66/39/182906639.db2.gz PXIHHKJWQCWCGR-UHFFFAOYSA-N 0 0 310.441 3.983 50 0 DHAARN COc1cccc2cc(C(=O)N[C@H](C)Cc3cccs3)oc21 ZINC000038565844 183002313 /nfs/dbraw/zinc/00/23/13/183002313.db2.gz FQUADCMGEUUHAR-LLVKDONJSA-N 0 0 315.394 3.864 50 0 DHAARN O=C(CSCc1ccccc1)NCC1(c2cccs2)CC1 ZINC000038593007 183003851 /nfs/dbraw/zinc/00/38/51/183003851.db2.gz RUEWXKXHNPWZCF-UHFFFAOYSA-N 0 0 317.479 3.829 50 0 DHAARN Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 ZINC000038666504 183005390 /nfs/dbraw/zinc/00/53/90/183005390.db2.gz MGVRBYARKBPNBP-GFCCVEGCSA-N 0 0 321.833 3.520 50 0 DHAARN NC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000038655043 183005471 /nfs/dbraw/zinc/00/54/71/183005471.db2.gz XVNWGHRDIUFFEE-UHFFFAOYSA-N 0 0 302.786 3.958 50 0 DHAARN O=c1cc(CNc2cccc(Cl)c2)nc2ccc(Cl)cn12 ZINC000039987665 183026892 /nfs/dbraw/zinc/02/68/92/183026892.db2.gz OWHVRKJYCUXSBV-UHFFFAOYSA-N 0 0 320.179 3.613 50 0 DHAARN CC(=O)c1cccc(N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000040005411 183027574 /nfs/dbraw/zinc/02/75/74/183027574.db2.gz RPQBOKGMJFXCFG-CABCVRRESA-N 0 0 324.424 3.610 50 0 DHAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2ccc(C)cc2)n1 ZINC000040023527 183027906 /nfs/dbraw/zinc/02/79/06/183027906.db2.gz DRTIHWVTGXIRGZ-UHFFFAOYSA-N 0 0 323.371 3.809 50 0 DHAARN O=C(CCN1CCc2ccccc21)Nc1cccc(Cl)c1 ZINC000040024983 183027967 /nfs/dbraw/zinc/02/79/67/183027967.db2.gz OIQGTUGPEHUETA-UHFFFAOYSA-N 0 0 300.789 3.731 50 0 DHAARN C[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(F)cc1 ZINC000040033985 183029257 /nfs/dbraw/zinc/02/92/57/183029257.db2.gz KSUZICYLQVUSHO-CQSZACIVSA-N 0 0 317.429 3.806 50 0 DHAARN Cc1ccccc1OCCCC(=O)Nc1ccc(Cl)cn1 ZINC000040050479 183029734 /nfs/dbraw/zinc/02/97/34/183029734.db2.gz SVBZPCFXRLWTDG-UHFFFAOYSA-N 0 0 304.777 3.841 50 0 DHAARN CC(C)(C)OC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000039086368 183014029 /nfs/dbraw/zinc/01/40/29/183014029.db2.gz UPXBKNVHTILOPR-HNNXBMFYSA-N 0 0 309.381 3.506 50 0 DHAARN Cc1cccc(N2C(=O)SC[C@@]23c2ccccc2NC3=O)c1 ZINC000039324351 183017412 /nfs/dbraw/zinc/01/74/12/183017412.db2.gz WFSVDIDZBCKCCP-KRWDZBQOSA-N 0 0 310.378 3.516 50 0 DHAARN CC(C)OCCCNC(=O)c1sccc1-c1ccccc1 ZINC000039976149 183025914 /nfs/dbraw/zinc/02/59/14/183025914.db2.gz JQMXIBSKYCVCCN-UHFFFAOYSA-N 0 0 303.427 3.960 50 0 DHAARN Cc1ccc(NC(=O)CCSc2ncccn2)cc1Cl ZINC000040146482 183040140 /nfs/dbraw/zinc/04/01/40/183040140.db2.gz RCCXSYPZTLREBT-UHFFFAOYSA-N 0 0 307.806 3.559 50 0 DHAARN CN(Cc1nc(Cc2ccccc2)no1)[C@@H]1CCc2ccccc21 ZINC000040153524 183040584 /nfs/dbraw/zinc/04/05/84/183040584.db2.gz XVZUDRUGBJEOBK-GOSISDBHSA-N 0 0 319.408 3.780 50 0 DHAARN CCc1cc(C(=O)NCc2ccc(COC)cc2)sc1C ZINC000040074598 183031340 /nfs/dbraw/zinc/03/13/40/183031340.db2.gz KIXGFOVSVIQPEL-UHFFFAOYSA-N 0 0 303.427 3.695 50 0 DHAARN CCOc1ccc(-c2noc(CNc3ccccc3F)n2)cc1 ZINC000040071580 183031369 /nfs/dbraw/zinc/03/13/69/183031369.db2.gz NGOVBEPVSZRBIH-UHFFFAOYSA-N 0 0 313.332 3.887 50 0 DHAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C)cc1 ZINC000040073361 183031425 /nfs/dbraw/zinc/03/14/25/183031425.db2.gz SNHVZLYCEZJRQV-UHFFFAOYSA-N 0 0 321.380 3.750 50 0 DHAARN O=C(NC1CCCCC1)c1ccc(N2CCCCCC2)nc1 ZINC000040071921 183031439 /nfs/dbraw/zinc/03/14/39/183031439.db2.gz WGMHKRQLOUFPGI-UHFFFAOYSA-N 0 0 301.434 3.525 50 0 DHAARN Cc1cc2cc(NC(=O)c3cn4ccc(C)cc4n3)ccc2[nH]1 ZINC000040081328 183032025 /nfs/dbraw/zinc/03/20/25/183032025.db2.gz OXIIXDMIRQCAAI-UHFFFAOYSA-N 0 0 304.353 3.685 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1Cc1nnc(C(C)(C)C)o1 ZINC000040086375 183032213 /nfs/dbraw/zinc/03/22/13/183032213.db2.gz VIGYAPNSNSAVCR-GFCCVEGCSA-N 0 0 305.447 3.938 50 0 DHAARN C[C@@H](OCc1ccccc1)C(=O)NCCc1cccc(Cl)c1 ZINC000040088812 183032569 /nfs/dbraw/zinc/03/25/69/183032569.db2.gz NJZARYXKYHNQCL-CQSZACIVSA-N 0 0 317.816 3.604 50 0 DHAARN COc1cc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc(OC)c1 ZINC000040097745 183034299 /nfs/dbraw/zinc/03/42/99/183034299.db2.gz PBCKXWOTOKIJGD-LLVKDONJSA-N 0 0 318.348 3.726 50 0 DHAARN COc1cc(C)c(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1OC ZINC000040103469 183034845 /nfs/dbraw/zinc/03/48/45/183034845.db2.gz CONHETOMZHDSKO-AAEUAGOBSA-N 0 0 306.406 3.712 50 0 DHAARN COc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1OC ZINC000040103470 183034954 /nfs/dbraw/zinc/03/49/54/183034954.db2.gz CONHETOMZHDSKO-DGCLKSJQSA-N 0 0 306.406 3.712 50 0 DHAARN CCN(Cc1cccc(F)c1)C(=O)Nc1nnc(C(C)C)s1 ZINC000040104053 183035560 /nfs/dbraw/zinc/03/55/60/183035560.db2.gz DMJMDKFMGYASRT-UHFFFAOYSA-N 0 0 322.409 3.855 50 0 DHAARN Cc1ncsc1C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000040107457 183036630 /nfs/dbraw/zinc/03/66/30/183036630.db2.gz UKGORCVFUDSUIF-IINYFYTJSA-N 0 0 316.426 3.973 50 0 DHAARN CCCCNC(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000040119856 183038006 /nfs/dbraw/zinc/03/80/06/183038006.db2.gz LUVHBUBJRPBXBC-UHFFFAOYSA-N 0 0 317.364 3.612 50 0 DHAARN CCc1ccc(CNC(=O)c2oc3c(c2C)C(=O)CCC3)s1 ZINC000040134455 183039058 /nfs/dbraw/zinc/03/90/58/183039058.db2.gz MEQXLHBMNJHQMY-UHFFFAOYSA-N 0 0 317.410 3.661 50 0 DHAARN CCCCC[C@H](C)NC(=O)c1sc(-c2ncccn2)nc1C ZINC000040146502 183039812 /nfs/dbraw/zinc/03/98/12/183039812.db2.gz DLWXEWBQSHFGDM-NSHDSACASA-N 0 0 318.446 3.607 50 0 DHAARN O=C1C[C@@H](c2cccc(F)c2)c2ncn(-c3cccnc3)c2N1 ZINC000040284047 183050633 /nfs/dbraw/zinc/05/06/33/183050633.db2.gz OIBCCDGGMLBAJZ-AWEZNQCLSA-N 0 0 308.316 3.530 50 0 DHAARN COc1ccc(C[C@H]2C(=O)Nc3cc(Cl)ccc32)c(OC)c1 ZINC000040286979 183051353 /nfs/dbraw/zinc/05/13/53/183051353.db2.gz WLLSURNPUXUWFX-CQSZACIVSA-N 0 0 317.772 3.636 50 0 DHAARN O=C1C[C@@H](c2cccnc2)c2ncn(-c3cccc(F)c3)c2N1 ZINC000040287807 183052357 /nfs/dbraw/zinc/05/23/57/183052357.db2.gz QUFUEXHPMMBYQU-AWEZNQCLSA-N 0 0 308.316 3.530 50 0 DHAARN CCCC(=O)Nc1ccc(C2(C(=O)N[C@@H](C)CC)CCC2)cc1 ZINC000040454902 183068486 /nfs/dbraw/zinc/06/84/86/183068486.db2.gz ZTFFMGKLZVQQEY-AWEZNQCLSA-N 0 0 316.445 3.762 50 0 DHAARN CC(C)CCNC(=O)Cn1ccc2c1cccc2Br ZINC000040266938 183049913 /nfs/dbraw/zinc/04/99/13/183049913.db2.gz TVDKJWODWMFYGT-UHFFFAOYSA-N 0 0 323.234 3.566 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000040466445 183072647 /nfs/dbraw/zinc/07/26/47/183072647.db2.gz DNZFHZKJZNXIRL-CYBMUJFWSA-N 0 0 319.430 3.522 50 0 DHAARN CC(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)s1 ZINC000040466587 183072779 /nfs/dbraw/zinc/07/27/79/183072779.db2.gz JWVUXNIHECQOON-UHFFFAOYSA-N 0 0 302.380 3.813 50 0 DHAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccco1 ZINC000040474181 183074526 /nfs/dbraw/zinc/07/45/26/183074526.db2.gz YJJGNIIRVKFOQE-UHFFFAOYSA-N 0 0 312.291 3.640 50 0 DHAARN Cc1c(F)cccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478384 183075869 /nfs/dbraw/zinc/07/58/69/183075869.db2.gz NKTOYLOPYWBSDI-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]2CCCC[C@H]21 ZINC000040489605 183078880 /nfs/dbraw/zinc/07/88/80/183078880.db2.gz BMGHSUVUWJEGGK-RHSMWYFYSA-N 0 0 311.429 3.677 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000040489606 183079167 /nfs/dbraw/zinc/07/91/67/183079167.db2.gz BMGHSUVUWJEGGK-WMLDXEAASA-N 0 0 311.429 3.677 50 0 DHAARN Cc1cccc(CS(=O)(=O)Cc2nc3ccccc3s2)c1 ZINC000040496855 183081340 /nfs/dbraw/zinc/08/13/40/183081340.db2.gz YLJXUOYCOOBFQG-UHFFFAOYSA-N 0 0 317.435 3.720 50 0 DHAARN CC(C)C[C@@H](C)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000040497971 183082044 /nfs/dbraw/zinc/08/20/44/183082044.db2.gz 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/nfs/dbraw/zinc/18/68/04/183186804.db2.gz XDXBMPYHVSKIIT-UHFFFAOYSA-N 0 0 310.353 3.716 50 0 DHAARN Cn1ccnc1[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000042203562 183241681 /nfs/dbraw/zinc/24/16/81/183241681.db2.gz KVBLZFWGUABOLK-KRWDZBQOSA-N 0 0 313.351 3.578 50 0 DHAARN CC(C)(C)CC(C)(C)NC(=O)c1cncc(Br)c1 ZINC000042208343 183243070 /nfs/dbraw/zinc/24/30/70/183243070.db2.gz NBAZSNDZZRDBGG-UHFFFAOYSA-N 0 0 313.239 3.789 50 0 DHAARN COc1ccc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)cc1 ZINC000042790964 183308977 /nfs/dbraw/zinc/30/89/77/183308977.db2.gz NHSXRFQTBIYGAI-SFHVURJKSA-N 0 0 312.413 3.562 50 0 DHAARN CN(Cc1ccco1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000043166631 183342655 /nfs/dbraw/zinc/34/26/55/183342655.db2.gz GCNMMMFZXPALEY-AWEZNQCLSA-N 0 0 302.399 3.658 50 0 DHAARN CN(Cc1ccco1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000043166630 183342721 /nfs/dbraw/zinc/34/27/21/183342721.db2.gz GCNMMMFZXPALEY-CQSZACIVSA-N 0 0 302.399 3.658 50 0 DHAARN C[C@@H](NC(=O)N1CCC[C@H]1c1ccsc1)c1ccccn1 ZINC000043181380 183343506 /nfs/dbraw/zinc/34/35/06/183343506.db2.gz CFWUOMGJGFRYAB-DOMZBBRYSA-N 0 0 301.415 3.751 50 0 DHAARN CC(=O)Oc1ccccc1C(=O)c1ccc(Br)cc1 ZINC000043209761 183344254 /nfs/dbraw/zinc/34/42/54/183344254.db2.gz XJAWYUDNVDPZJF-UHFFFAOYSA-N 0 0 319.154 3.605 50 0 DHAARN CC(=O)Oc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000043209753 183344266 /nfs/dbraw/zinc/34/42/66/183344266.db2.gz RSGWXZBUKINPEM-UHFFFAOYSA-N 0 0 308.255 3.862 50 0 DHAARN O=C(c1ccccc1CN1CCSCC1)C1CCCCC1 ZINC000043211778 183345268 /nfs/dbraw/zinc/34/52/68/183345268.db2.gz FSNZMOXMVWQFIM-UHFFFAOYSA-N 0 0 303.471 3.998 50 0 DHAARN COc1ccc(C)cc1NC(=O)N(Cc1ccccn1)C1CC1 ZINC000043279814 183350900 /nfs/dbraw/zinc/35/09/00/183350900.db2.gz ZIPBZSLQFFICEP-UHFFFAOYSA-N 0 0 311.385 3.595 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)Nc1cc(Cl)ccc1F ZINC000043526979 183370105 /nfs/dbraw/zinc/37/01/05/183370105.db2.gz ZXTFKUVQEBZMCZ-UHFFFAOYSA-N 0 0 311.744 3.748 50 0 DHAARN CN(C)S(=O)(=O)/C(=C/C=C/c1ccccc1)c1ccccc1 ZINC000043761465 183384974 /nfs/dbraw/zinc/38/49/74/183384974.db2.gz PJAULCWOIFZDCF-FPIZNTTDSA-N 0 0 313.422 3.632 50 0 DHAARN Cc1cc(CN(C)C(=S)Nc2ccc3ccccc3c2)no1 ZINC000044136667 183396340 /nfs/dbraw/zinc/39/63/40/183396340.db2.gz OZNXRCRKOONOSE-UHFFFAOYSA-N 0 0 311.410 3.965 50 0 DHAARN COc1ncccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000044953497 183465971 /nfs/dbraw/zinc/46/59/71/183465971.db2.gz NVGRYNPJKPIFBX-LBPRGKRZSA-N 0 0 303.387 3.521 50 0 DHAARN Cc1ccc(CNC(=O)Cc2csc(-c3ccco3)n2)s1 ZINC000044954582 183467054 /nfs/dbraw/zinc/46/70/54/183467054.db2.gz MOUVMOAKBPIOBY-UHFFFAOYSA-N 0 0 318.423 3.632 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000045000418 183474219 /nfs/dbraw/zinc/47/42/19/183474219.db2.gz VFVXDQVYNWVXMB-UHFFFAOYSA-N 0 0 315.417 3.714 50 0 DHAARN Cc1ccsc1C(=O)Nc1cccc(Oc2ncccn2)c1 ZINC000046292610 183559264 /nfs/dbraw/zinc/55/92/64/183559264.db2.gz UFXTYEPGUARKSR-UHFFFAOYSA-N 0 0 311.366 3.891 50 0 DHAARN COc1ccc(-c2ncnc(Oc3ccccc3OC)c2N)cc1 ZINC000106046333 194181921 /nfs/dbraw/zinc/18/19/21/194181921.db2.gz CTLBZDOCKLHQCK-UHFFFAOYSA-N 0 0 323.352 3.535 50 0 DHAARN COc1ccc(OC)c(-c2cc(=O)c3cc(F)ccc3o2)c1 ZINC000048057039 183617873 /nfs/dbraw/zinc/61/78/73/183617873.db2.gz BFANYDGZCLJUOE-UHFFFAOYSA-N 0 0 300.285 3.616 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)on1 ZINC000050581159 183789623 /nfs/dbraw/zinc/78/96/23/183789623.db2.gz ASKGCEUBESGJGE-KRWDZBQOSA-N 0 0 323.396 3.610 50 0 DHAARN COc1ccc(OC)c(NC(=O)Nc2cccc(F)c2C)c1 ZINC000051354499 183824402 /nfs/dbraw/zinc/82/44/02/183824402.db2.gz SSZARRPQGRYRBK-UHFFFAOYSA-N 0 0 304.321 3.795 50 0 DHAARN CN(C(=O)C1=NO[C@H](c2ccccc2)C1)[C@H]1CCc2ccccc21 ZINC000054365676 183936551 /nfs/dbraw/zinc/93/65/51/183936551.db2.gz SFIFAMLYYDJCIO-OALUTQOASA-N 0 0 320.392 3.650 50 0 DHAARN O=C(/C=C\c1cccc2cccnc12)NCCc1cccs1 ZINC000055103555 183964203 /nfs/dbraw/zinc/96/42/03/183964203.db2.gz KHVGHUIPVIRCFC-HJWRWDBZSA-N 0 0 308.406 3.668 50 0 DHAARN CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1cnc2ccccn21 ZINC000055325735 183979872 /nfs/dbraw/zinc/97/98/72/183979872.db2.gz UGAYZYXEZQPSRH-CQSZACIVSA-N 0 0 311.385 3.614 50 0 DHAARN O=C(NCc1cccc(O)c1)Nc1ccccc1C(F)(F)F ZINC000056531967 184014987 /nfs/dbraw/zinc/01/49/87/184014987.db2.gz YOKSBCLIYKBALU-UHFFFAOYSA-N 0 0 310.275 3.733 50 0 DHAARN COc1cccc(CC(=O)N2CCC[C@H]2c2cccc(C)c2)c1 ZINC000056000937 184002436 /nfs/dbraw/zinc/00/24/36/184002436.db2.gz KJUBOVLCDJBEPI-IBGZPJMESA-N 0 0 309.409 3.910 50 0 DHAARN COCCCCNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000056731792 184018164 /nfs/dbraw/zinc/01/81/64/184018164.db2.gz WBABAHYRDRBWCT-UHFFFAOYSA-N 0 0 317.389 3.507 50 0 DHAARN C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2oc1=O)C1CC1 ZINC000056181552 184006501 /nfs/dbraw/zinc/00/65/01/184006501.db2.gz ZWWXVRMOBJFLIW-GFCCVEGCSA-N 0 0 323.348 3.752 50 0 DHAARN COC1CCN(C(=O)c2oc3c(c2C)c(C)ccc3C)CC1 ZINC000056390439 184012107 /nfs/dbraw/zinc/01/21/07/184012107.db2.gz HMHHSDCBGAMPEM-UHFFFAOYSA-N 0 0 301.386 3.609 50 0 DHAARN O=C(Nc1cn[nH]c1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000057029776 184025335 /nfs/dbraw/zinc/02/53/35/184025335.db2.gz RXYGXOFZNNCIDG-MRXNPFEDSA-N 0 0 324.409 3.651 50 0 DHAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CCCC1)CO3 ZINC000057099769 184026960 /nfs/dbraw/zinc/02/69/60/184026960.db2.gz JOAKPEPLXRSPCZ-UHFFFAOYSA-N 0 0 313.397 3.758 50 0 DHAARN CCCCN1COc2c(C)c3oc(=O)cc(CC)c3cc2C1 ZINC000057122042 184027418 /nfs/dbraw/zinc/02/74/18/184027418.db2.gz IFUSUXYKQIMABR-UHFFFAOYSA-N 0 0 301.386 3.616 50 0 DHAARN Cc1cc(=O)oc2c1cc(Cl)c1c2CN(C2CCCC2)CO1 ZINC000057135035 184028023 /nfs/dbraw/zinc/02/80/23/184028023.db2.gz CLZGZJDSTGSAAP-UHFFFAOYSA-N 0 0 319.788 3.849 50 0 DHAARN O=C(c1ccc(Cl)s1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000056924152 184021677 /nfs/dbraw/zinc/02/16/77/184021677.db2.gz QHRQBGFSIPQMAP-UHFFFAOYSA-N 0 0 317.801 3.517 50 0 DHAARN CCOc1ccccc1CNC(=O)c1cc2c(s1)CCCC2 ZINC000057416246 184037861 /nfs/dbraw/zinc/03/78/61/184037861.db2.gz QFRRSGZZSNCSRG-UHFFFAOYSA-N 0 0 315.438 3.956 50 0 DHAARN C[C@H](c1ccccn1)N(C(=O)[C@H](C)OCc1ccccc1)C1CC1 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COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C3CC3)[nH]c2c1 ZINC000057992645 184065623 /nfs/dbraw/zinc/06/56/23/184065623.db2.gz NPXUEQVIJOIWPA-UHFFFAOYSA-N 0 0 324.380 3.883 50 0 DHAARN O=C(Cn1cc(Cl)cn1)Nc1ccccc1-c1ccccc1 ZINC000058015510 184067157 /nfs/dbraw/zinc/06/71/57/184067157.db2.gz ZFGIGWDFUSPINJ-UHFFFAOYSA-N 0 0 311.772 3.842 50 0 DHAARN COc1ccc(C(=O)COc2ccc(F)cc2Cl)c(OC)c1 ZINC000058014376 184067263 /nfs/dbraw/zinc/06/72/63/184067263.db2.gz HDFOCFWWJFRHGF-UHFFFAOYSA-N 0 0 324.735 3.758 50 0 DHAARN C[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000058014605 184067545 /nfs/dbraw/zinc/06/75/45/184067545.db2.gz OBVOSGMCSKWHTK-GFCCVEGCSA-N 0 0 309.344 3.707 50 0 DHAARN O=C(Cc1c(F)cccc1Cl)N1CCC(n2cccc2)CC1 ZINC000058167895 184083781 /nfs/dbraw/zinc/08/37/81/184083781.db2.gz GUMAVZYXEGOJME-UHFFFAOYSA-N 0 0 320.795 3.687 50 0 DHAARN Cc1nnc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cn12 ZINC000058167997 184083841 /nfs/dbraw/zinc/08/38/41/184083841.db2.gz JIKTWPCAEQVAHN-UHFFFAOYSA-N 0 0 321.167 3.597 50 0 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Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2cncnc2)nc1 ZINC000065177934 184313853 /nfs/dbraw/zinc/31/38/53/184313853.db2.gz IBLUCCDCQJXLAI-UHFFFAOYSA-N 0 0 324.771 3.753 50 0 DHAARN Fc1ccccc1-c1noc(Cc2nnc(-c3ccccc3)o2)n1 ZINC000065185337 184314011 /nfs/dbraw/zinc/31/40/11/184314011.db2.gz XSFUXFCKHHCUPG-UHFFFAOYSA-N 0 0 322.299 3.517 50 0 DHAARN Cc1ccc(-c2nnc(Cc3nc(C(C)(C)C)no3)o2)cc1C ZINC000065185477 184314180 /nfs/dbraw/zinc/31/41/80/184314180.db2.gz KHRXAOWDBFDTEH-UHFFFAOYSA-N 0 0 312.373 3.625 50 0 DHAARN CCn1nc(CNC(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000065219563 184314884 /nfs/dbraw/zinc/31/48/84/184314884.db2.gz PGLPGOQORONGLB-UHFFFAOYSA-N 0 0 313.788 3.640 50 0 DHAARN Cc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000064667281 184302152 /nfs/dbraw/zinc/30/21/52/184302152.db2.gz MISNIMBWRRQBPF-QGZVFWFLSA-N 0 0 317.392 3.963 50 0 DHAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@H]3c2ccccc2F)cc1 ZINC000064667288 184302246 /nfs/dbraw/zinc/30/22/46/184302246.db2.gz RXIUXTLTBFBXMA-OAHLLOKOSA-N 0 0 321.355 3.794 50 0 DHAARN Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000064667190 184302375 /nfs/dbraw/zinc/30/23/75/184302375.db2.gz WKBGYVGZOJSKBY-INIZCTEOSA-N 0 0 303.365 3.655 50 0 DHAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@H]3c2ccccc2)cc1 ZINC000064667272 184302383 /nfs/dbraw/zinc/30/23/83/184302383.db2.gz ZRQPAWFDHWSPQS-MRXNPFEDSA-N 0 0 303.365 3.655 50 0 DHAARN Clc1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 ZINC000065239592 184316955 /nfs/dbraw/zinc/31/69/55/184316955.db2.gz IWCSONPXFZNVBT-UHFFFAOYSA-N 0 0 323.743 3.638 50 0 DHAARN C[C@H](Oc1ccccc1)c1nc(-c2ccc3ncn(C)c3c2)no1 ZINC000065240601 184317660 /nfs/dbraw/zinc/31/76/60/184317660.db2.gz NUURVQGDPSMTNT-LBPRGKRZSA-N 0 0 320.352 3.763 50 0 DHAARN COc1cc(Br)ccc1C(=O)Nc1ccccc1 ZINC000065337018 184325128 /nfs/dbraw/zinc/32/51/28/184325128.db2.gz BIXCDBZTCGGQSZ-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN CCCOc1cccc(NC(=O)N(C)Cc2csc(C)n2)c1 ZINC000065361189 184328407 /nfs/dbraw/zinc/32/84/07/184328407.db2.gz DELJICWJEDLMTJ-UHFFFAOYSA-N 0 0 319.430 3.904 50 0 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CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCC2 ZINC000000089581 563215311 /nfs/dbraw/zinc/21/53/11/563215311.db2.gz HTQSDLKKDDCLHB-UHFFFAOYSA-N 0 0 321.442 3.932 50 0 DHAARN Cc1cc(Cl)ccc1OCc1nc(-c2ccccn2)no1 ZINC000000099437 563216786 /nfs/dbraw/zinc/21/67/86/563216786.db2.gz HIMRBCAJPCFDFY-UHFFFAOYSA-N 0 0 301.733 3.672 50 0 DHAARN CN(C)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000098644 563216813 /nfs/dbraw/zinc/21/68/13/563216813.db2.gz WPSBWRAIGZDWMR-UHFFFAOYSA-N 0 0 316.270 3.983 50 0 DHAARN Cc1ccc([C@]2(CC(=O)N3CCCC3)CCOC(C)(C)C2)cc1 ZINC000000110820 563218552 /nfs/dbraw/zinc/21/85/52/563218552.db2.gz FQQXTBLMCDVTJT-FQEVSTJZSA-N 0 0 315.457 3.834 50 0 DHAARN O=C(Nc1ccccc1)c1csc(-c2ccc3c(c2)CCO3)n1 ZINC000000113647 563219113 /nfs/dbraw/zinc/21/91/13/563219113.db2.gz ZNJJUDQJXGSPRT-UHFFFAOYSA-N 0 0 322.389 3.997 50 0 DHAARN COc1ccc(NC(=O)COc2ccccc2)c2ccccc12 ZINC000000123407 563220531 /nfs/dbraw/zinc/22/05/31/563220531.db2.gz BTCCPKVUCQMRFJ-UHFFFAOYSA-N 0 0 307.349 3.866 50 0 DHAARN Cc1cc(C)cc(NC(=O)Cn2cc(C=O)c3ccccc32)c1 ZINC000000123539 563220611 /nfs/dbraw/zinc/22/06/11/563220611.db2.gz YULWXXAVJMUUJH-UHFFFAOYSA-N 0 0 306.365 3.709 50 0 DHAARN Cc1cc(OCC(=O)NCCc2ccccc2)ccc1C(C)C ZINC000000142379 563223336 /nfs/dbraw/zinc/22/33/36/563223336.db2.gz KDVFWFXTKXXANW-UHFFFAOYSA-N 0 0 311.425 3.856 50 0 DHAARN CSCC(CSC)OC(=O)Nc1ccc(Cl)cc1 ZINC000000140802 563223489 /nfs/dbraw/zinc/22/34/89/563223489.db2.gz DAWLMPHCMIGMGM-UHFFFAOYSA-N 0 0 305.852 3.983 50 0 DHAARN Cc1ccc(F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000000148415 563224482 /nfs/dbraw/zinc/22/44/82/563224482.db2.gz NTYKGVIMGOWSNK-UHFFFAOYSA-N 0 0 304.369 3.809 50 0 DHAARN CCCc1cnc(Oc2ncnc3cc(Cl)ccc32)nc1 ZINC000000152570 563225072 /nfs/dbraw/zinc/22/50/72/563225072.db2.gz QYURVOZPVUOOPC-UHFFFAOYSA-N 0 0 300.749 3.818 50 0 DHAARN FC(F)(F)c1cc(-c2cccnc2)nc2cc(C3CC3)nn21 ZINC000000171011 563227023 /nfs/dbraw/zinc/22/70/23/563227023.db2.gz IAXORVLMFQKOGY-UHFFFAOYSA-N 0 0 304.275 3.688 50 0 DHAARN Cc1ccccc1CN1c2cccc3cccc(c23)S1(=O)=O ZINC000000184770 563229210 /nfs/dbraw/zinc/22/92/10/563229210.db2.gz XDTMACKNQATELC-UHFFFAOYSA-N 0 0 309.390 3.857 50 0 DHAARN O=C(Cc1ccccc1)Nc1nnc(CCc2ccccc2)s1 ZINC000000194549 563229781 /nfs/dbraw/zinc/22/97/81/563229781.db2.gz ZWUCPSQQKXAROB-UHFFFAOYSA-N 0 0 323.421 3.505 50 0 DHAARN CC1(C)Cc2nc(NC(=O)c3ccc(F)cc3)sc2C(=O)C1 ZINC000000204287 563230136 /nfs/dbraw/zinc/23/01/36/563230136.db2.gz GQCJNILKEQKOHP-UHFFFAOYSA-N 0 0 318.373 3.690 50 0 DHAARN COc1cc2cccnc2c(NC(=O)/C=C/c2ccccc2)c1 ZINC000000208580 563231103 /nfs/dbraw/zinc/23/11/03/563231103.db2.gz WXYXJJFZOWDNIN-MDZDMXLPSA-N 0 0 304.349 3.895 50 0 DHAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccs1 ZINC000000237466 563232069 /nfs/dbraw/zinc/23/20/69/563232069.db2.gz VSDBMXVNZFLXQJ-UHFFFAOYSA-N 0 0 320.377 3.734 50 0 aggregator DHAARN CCc1cc(C)cc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1 ZINC000000242889 563232817 /nfs/dbraw/zinc/23/28/17/563232817.db2.gz NRBZNDRFVRDPIW-KRWDZBQOSA-N 0 0 324.424 3.655 50 0 DHAARN CCC(=O)c1ccccc1NN1c2ccccc2C(=O)[C@]1(C)OC ZINC000000249646 563233539 /nfs/dbraw/zinc/23/35/39/563233539.db2.gz WZIJZEJPGXTRIN-IBGZPJMESA-N 0 0 324.380 3.672 50 0 DHAARN COc1ccc(-c2csc([N-][NH+]=C3CCCCCN3)n2)cc1 ZINC000000263540 563234923 /nfs/dbraw/zinc/23/49/23/563234923.db2.gz PBBWYCAMPRXCHF-UHFFFAOYSA-N 0 0 316.430 3.708 50 0 DHAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccnc1 ZINC000000272874 563235339 /nfs/dbraw/zinc/23/53/39/563235339.db2.gz JRXCUUSMADTAEP-UHFFFAOYSA-N 0 0 304.349 3.913 50 0 DHAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(F)cc2)CO1 ZINC000000286007 563235866 /nfs/dbraw/zinc/23/58/66/563235866.db2.gz DDPDEZPQNUJGKU-UHFFFAOYSA-N 0 0 311.312 3.597 50 0 DHAARN COc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000000287167 563235976 /nfs/dbraw/zinc/23/59/76/563235976.db2.gz RMZFWYXDHVBCQQ-UHFFFAOYSA-N 0 0 311.259 3.846 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000000287224 563236000 /nfs/dbraw/zinc/23/60/00/563236000.db2.gz ADNGIQJBPAZLIJ-UHFFFAOYSA-N 0 0 320.348 3.890 50 0 DHAARN O=C(Nc1ccccc1Cl)c1ccc(Br)o1 ZINC000000290599 563236553 /nfs/dbraw/zinc/23/65/53/563236553.db2.gz VJVUUPJDSGMPDR-UHFFFAOYSA-N 0 0 300.539 3.948 50 0 DHAARN COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1 ZINC000000299542 563237890 /nfs/dbraw/zinc/23/78/90/563237890.db2.gz OOEMKBMZBZPBDD-UHFFFAOYSA-N 0 0 311.381 3.835 50 0 DHAARN CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000303661 563237974 /nfs/dbraw/zinc/23/79/74/563237974.db2.gz XZNQFZIIXARIDE-UHFFFAOYSA-N 0 0 313.353 3.556 50 0 DHAARN Cc1c(Cl)cccc1NC(=S)NC[C@@H](O)c1ccccc1 ZINC000000305284 563238352 /nfs/dbraw/zinc/23/83/52/563238352.db2.gz BOFYRDCZLTUHJH-OAHLLOKOSA-N 0 0 320.845 3.668 50 0 DHAARN COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(OC)c1 ZINC000000308294 563238872 /nfs/dbraw/zinc/23/88/72/563238872.db2.gz IAWRAMOHLZOWCA-UHFFFAOYSA-N 0 0 315.369 3.743 50 0 DHAARN COc1ccccc1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000000311284 563239660 /nfs/dbraw/zinc/23/96/60/563239660.db2.gz CMSFUISKNYQYHB-UHFFFAOYSA-N 0 0 300.745 3.989 50 0 DHAARN Cc1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000000315949 563240178 /nfs/dbraw/zinc/24/01/78/563240178.db2.gz PXUKJYQIYPKENN-JTQLQIEISA-N 0 0 300.431 3.798 50 0 DHAARN COc1ccc(/C=C/C(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000000315075 563240211 /nfs/dbraw/zinc/24/02/11/563240211.db2.gz ZOKRPMPFGBMSDA-PEKVBPLLSA-N 0 0 307.393 3.725 50 0 DHAARN COc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000000320029 563240692 /nfs/dbraw/zinc/24/06/92/563240692.db2.gz KADBFQFBXPJRGR-UHFFFAOYSA-N 0 0 317.395 3.528 50 0 DHAARN Cc1ccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000000319288 563240768 /nfs/dbraw/zinc/24/07/68/563240768.db2.gz MXXFXXRHJVHTNO-UHFFFAOYSA-N 0 0 322.360 3.980 50 0 DHAARN CC(C)(C)c1csc(NC(=O)C(Cl)(Cl)Cl)n1 ZINC000000330688 563241488 /nfs/dbraw/zinc/24/14/88/563241488.db2.gz UDZQHDPYLYRNRN-UHFFFAOYSA-N 0 0 301.626 3.749 50 0 DHAARN Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1Cl ZINC000000328678 563241560 /nfs/dbraw/zinc/24/15/60/563241560.db2.gz MIISSBFPRXKKHH-UHFFFAOYSA-N 0 0 322.792 3.914 50 0 DHAARN C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000000337706 563242158 /nfs/dbraw/zinc/24/21/58/563242158.db2.gz IANNJXDZFQMSKL-GFCCVEGCSA-N 0 0 318.214 3.869 50 0 DHAARN Cc1nnc2n1-c1cc(F)ccc1[C@H](c1ccc(F)cc1)CC2 ZINC000000347715 563243317 /nfs/dbraw/zinc/24/33/17/563243317.db2.gz RPSFTORJNMCMSR-HNNXBMFYSA-N 0 0 311.335 3.932 50 0 DHAARN Cc1cc(OCc2nc(-c3ccncc3)no2)ccc1Cl ZINC000000355396 563243642 /nfs/dbraw/zinc/24/36/42/563243642.db2.gz WRIPCMBBNWABHH-UHFFFAOYSA-N 0 0 301.733 3.672 50 0 DHAARN O=C(NC(=S)Nc1cccc(Cl)c1)c1cccc(F)c1 ZINC000000361172 563244351 /nfs/dbraw/zinc/24/43/51/563244351.db2.gz JVEFBBKSJOXEAG-UHFFFAOYSA-N 0 0 308.765 3.606 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000000358042 563244358 /nfs/dbraw/zinc/24/43/58/563244358.db2.gz HCPVBHZXTMCVFI-UHFFFAOYSA-N 0 0 317.389 3.617 50 0 DHAARN COc1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000000362887 563244955 /nfs/dbraw/zinc/24/49/55/563244955.db2.gz XMNSZHBDFFBMBT-UHFFFAOYSA-N 0 0 307.143 3.677 50 0 DHAARN Cc1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1C ZINC000000362935 563244989 /nfs/dbraw/zinc/24/49/89/563244989.db2.gz LTVMNVHZYGACLF-UHFFFAOYSA-N 0 0 308.333 3.937 50 0 DHAARN COc1cc(OC)c(C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000000365282 563245885 /nfs/dbraw/zinc/24/58/85/563245885.db2.gz VYIWUNRZQITSTL-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN COc1cc(OC)c(C(=O)Oc2cc(C)ccc2C)cc1OC ZINC000000365239 563245974 /nfs/dbraw/zinc/24/59/74/563245974.db2.gz AMBUGLVKZBHMEF-UHFFFAOYSA-N 0 0 316.353 3.548 50 0 DHAARN COc1ccc(C=O)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000000373389 563246549 /nfs/dbraw/zinc/24/65/49/563246549.db2.gz UAJMJTLQDUMQRF-UHFFFAOYSA-N 0 0 324.352 3.836 50 0 DHAARN Cc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000000384529 563248058 /nfs/dbraw/zinc/24/80/58/563248058.db2.gz OUAYFCMOTOVLBM-UHFFFAOYSA-N 0 0 314.816 3.611 50 0 DHAARN O=C(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000000385991 563248576 /nfs/dbraw/zinc/24/85/76/563248576.db2.gz OMUQWTCVAMDYCO-HNNXBMFYSA-N 0 0 306.321 3.864 50 0 DHAARN O=C(CCNc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000000409552 563252050 /nfs/dbraw/zinc/25/20/50/563252050.db2.gz XFXYDBIWSQVWIH-UHFFFAOYSA-N 0 0 321.735 3.893 50 0 DHAARN Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1C ZINC000000422796 563252676 /nfs/dbraw/zinc/25/26/76/563252676.db2.gz YRSPVZFALDWRIS-UHFFFAOYSA-N 0 0 323.421 3.766 50 0 DHAARN Nc1ccc(Br)cc1[C@H](O)c1ccccc1Cl ZINC000000432904 563253359 /nfs/dbraw/zinc/25/33/59/563253359.db2.gz ZUXDXWPXEXSRSL-CYBMUJFWSA-N 0 0 312.594 3.766 50 0 DHAARN COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccccc1 ZINC000000439606 563253849 /nfs/dbraw/zinc/25/38/49/563253849.db2.gz ZPCYSKLIRQUUEZ-ICSRJNTNSA-N 0 0 320.392 3.565 50 0 DHAARN COc1ccc(NC(=O)CSc2cccc3cccnc32)cc1 ZINC000000440693 563254069 /nfs/dbraw/zinc/25/40/69/563254069.db2.gz UMDUWUYJGVIVLW-UHFFFAOYSA-N 0 0 324.405 3.974 50 0 DHAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(Cl)c1 ZINC000000443239 563254618 /nfs/dbraw/zinc/25/46/18/563254618.db2.gz OEUSVYWMEYISRP-MDZDMXLPSA-N 0 0 316.813 3.866 50 0 DHAARN Cc1cc(=O)oc2c(C)c(OCC(=O)c3ccccc3)ccc12 ZINC000000449389 563256080 /nfs/dbraw/zinc/25/60/80/563256080.db2.gz HPQGJTSZLNCWQC-UHFFFAOYSA-N 0 0 308.333 3.672 50 0 DHAARN O=C(NC(=S)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000000452809 563256667 /nfs/dbraw/zinc/25/66/67/563256667.db2.gz QVCVUQJYFXMSJF-UHFFFAOYSA-N 0 0 308.765 3.606 50 0 DHAARN COc1cc(NC(=O)CCC2CCCC2)cc(OC)c1OC ZINC000000452839 563256841 /nfs/dbraw/zinc/25/68/41/563256841.db2.gz KMVAFBHZALFKSP-UHFFFAOYSA-N 0 0 307.390 3.621 50 0 DHAARN Cc1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 ZINC000000452601 563256897 /nfs/dbraw/zinc/25/68/97/563256897.db2.gz WCMGCWLFUHTPOW-UHFFFAOYSA-N 0 0 311.454 3.514 50 0 DHAARN CC(C)C(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000000452777 563256901 /nfs/dbraw/zinc/25/69/01/563256901.db2.gz KJEPOCRSGMXXNO-UHFFFAOYSA-N 0 0 314.776 3.668 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000000456569 563257806 /nfs/dbraw/zinc/25/78/06/563257806.db2.gz YOBMSPHOOFNMKO-MDZDMXLPSA-N 0 0 314.772 3.950 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2ccccc2o1 ZINC000000465149 563259367 /nfs/dbraw/zinc/25/93/67/563259367.db2.gz IWGIROCRRGWDRW-NWDGAFQWSA-N 0 0 304.415 3.615 50 0 DHAARN O=C(Nc1nccs1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000470735 563260535 /nfs/dbraw/zinc/26/05/35/563260535.db2.gz ARJQVEIDSQFYMS-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000000470856 563260613 /nfs/dbraw/zinc/26/06/13/563260613.db2.gz CRHXYMDBDJQIBP-UHFFFAOYSA-N 0 0 301.820 3.617 50 0 DHAARN COc1nc(C)ccc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000000498619 563263413 /nfs/dbraw/zinc/26/34/13/563263413.db2.gz HQRPDMDXGZXOAZ-UHFFFAOYSA-N 0 0 301.733 3.769 50 0 DHAARN CC(C)CNc1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000000522177 563264067 /nfs/dbraw/zinc/26/40/67/563264067.db2.gz OHGUBBOEMZYNSQ-UHFFFAOYSA-N 0 0 315.808 3.596 50 0 DHAARN Clc1cccc(-c2nn3c(nnc3-c3ccccn3)s2)c1 ZINC000000526940 563264682 /nfs/dbraw/zinc/26/46/82/563264682.db2.gz VXWLVHXXMBZFTD-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN CCOc1cccc(-c2nnc3sc(-c4ccco4)nn32)c1 ZINC000000524042 563264841 /nfs/dbraw/zinc/26/48/41/563264841.db2.gz ADIGOZZADWWZHJ-UHFFFAOYSA-N 0 0 312.354 3.512 50 0 aggregator DHAARN Cc1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1 ZINC000000532572 563265364 /nfs/dbraw/zinc/26/53/64/563265364.db2.gz QQGUHOLSYBQRHC-UHFFFAOYSA-N 0 0 322.393 3.740 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)Nc1ccc2c(c1)OCO2 ZINC000000609563 563268231 /nfs/dbraw/zinc/26/82/31/563268231.db2.gz VUYRZNBQXATFSK-UHFFFAOYSA-N 0 0 310.353 3.708 50 0 DHAARN C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccncc1 ZINC000000609515 563268295 /nfs/dbraw/zinc/26/82/95/563268295.db2.gz PGOPCZHAYZARHA-SNVBAGLBSA-N 0 0 309.291 3.983 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000000587308 563268526 /nfs/dbraw/zinc/26/85/26/563268526.db2.gz PZLWZYHHONMUDT-LFYBBSHMSA-N 0 0 313.328 3.654 50 0 DHAARN O=C(Cc1cccc2ccccc21)Nc1ccc2c(c1)C(=O)OC2 ZINC000000611324 563268849 /nfs/dbraw/zinc/26/88/49/563268849.db2.gz BOHGLHXWGCAWPO-UHFFFAOYSA-N 0 0 317.344 3.691 50 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CC(C)(C)NC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000009190511 563352172 /nfs/dbraw/zinc/35/21/72/563352172.db2.gz DTAHUEJSARZAKM-UHFFFAOYSA-N 0 0 324.424 3.786 50 0 DHAARN CCc1ccc2ncnc(NCCc3ccc(OC)cc3)c2c1 ZINC000032541124 563353161 /nfs/dbraw/zinc/35/31/61/563353161.db2.gz YVMYKWOMEFUSLX-UHFFFAOYSA-N 0 0 307.397 3.855 50 0 DHAARN Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)CC(C)(C)C2 ZINC000009938777 563355080 /nfs/dbraw/zinc/35/50/80/563355080.db2.gz DMXBEZYZRXHZAY-UHFFFAOYSA-N 0 0 311.410 3.946 50 0 DHAARN O=C1C[C@H](c2ccco2)Cc2nc(Nc3ccccc3)ncc21 ZINC000010156563 563355141 /nfs/dbraw/zinc/35/51/41/563355141.db2.gz JKBFFEYNOYPCAH-GFCCVEGCSA-N 0 0 305.337 3.726 50 0 DHAARN CCn1cc(C(=O)Cn2cnc3ccccc32)c2ccccc21 ZINC000010008543 563355487 /nfs/dbraw/zinc/35/54/87/563355487.db2.gz JOSLISRHEIJOGO-UHFFFAOYSA-N 0 0 303.365 3.894 50 0 DHAARN CCOCCOc1cccc(NC(=O)NC2CCCCC2)c1 ZINC000010325549 563355803 /nfs/dbraw/zinc/35/58/03/563355803.db2.gz KRRYILGCPAXNLK-UHFFFAOYSA-N 0 0 306.406 3.556 50 0 DHAARN CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000010334967 563355871 /nfs/dbraw/zinc/35/58/71/563355871.db2.gz VXJLMKKZMAMCGC-UHFFFAOYSA-N 0 0 311.381 3.592 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000010296819 563356309 /nfs/dbraw/zinc/35/63/09/563356309.db2.gz ZKFNVZYYRKIFOE-SFHVURJKSA-N 0 0 311.381 3.805 50 0 DHAARN CSc1ccccc1C(=O)NCCCc1ccc(F)cc1 ZINC000010542339 563357273 /nfs/dbraw/zinc/35/72/73/563357273.db2.gz VMOGSWQAFXWTDY-UHFFFAOYSA-N 0 0 303.402 3.910 50 0 DHAARN CCCCc1nnc2sc(COc3c(C)cccc3C)nn12 ZINC000011278160 563358092 /nfs/dbraw/zinc/35/80/92/563358092.db2.gz BZDPNHJKCZWHDS-UHFFFAOYSA-N 0 0 316.430 3.724 50 0 DHAARN O=C(COc1ccccc1)NCc1csc(-c2ccccc2)n1 ZINC000010893730 563358488 /nfs/dbraw/zinc/35/84/88/563358488.db2.gz MEKKPKSZWRUMKG-UHFFFAOYSA-N 0 0 324.405 3.505 50 0 DHAARN O=C(c1cccc2ccccc21)[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000011818891 563359763 /nfs/dbraw/zinc/35/97/63/563359763.db2.gz YNRRRCANZWHODV-INIZCTEOSA-N 0 0 319.408 3.658 50 0 DHAARN CC(=O)Oc1ccc2c(c1)onc2Cc1ccc(Cl)cc1 ZINC000011854095 563360094 /nfs/dbraw/zinc/36/00/94/563360094.db2.gz CTDNVFSYCJNYJY-UHFFFAOYSA-N 0 0 301.729 3.997 50 0 DHAARN Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)C(C)(C)C)O3)nc1 ZINC000011840383 563360230 /nfs/dbraw/zinc/36/02/30/563360230.db2.gz SFCWSXQGJNZPOV-MRXNPFEDSA-N 0 0 324.424 3.523 50 0 DHAARN CCN(CC)c1ncccc1CNC(=O)c1cccc(Cl)c1 ZINC000011950691 563360970 /nfs/dbraw/zinc/36/09/70/563360970.db2.gz SMPCOAXFQMBGRT-UHFFFAOYSA-N 0 0 317.820 3.511 50 0 DHAARN Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)C(C)(C)C)C2 ZINC000011966530 563361255 /nfs/dbraw/zinc/36/12/55/563361255.db2.gz UOARVDIQGYIYPW-HNNXBMFYSA-N 0 0 324.424 3.523 50 0 DHAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2C)c1 ZINC000012138318 563362572 /nfs/dbraw/zinc/36/25/72/563362572.db2.gz AASKLFAHUZLDDL-CQSZACIVSA-N 0 0 310.397 3.776 50 0 DHAARN CC(C)=CC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012301809 563365258 /nfs/dbraw/zinc/36/52/58/563365258.db2.gz MDXNBOHOEKGRKN-GOSISDBHSA-N 0 0 323.440 3.949 50 0 DHAARN O=C(Nc1ccc2nsnc2c1)c1ncoc1-c1ccccc1 ZINC000012340858 563366272 /nfs/dbraw/zinc/36/62/72/563366272.db2.gz OUPXBBVUTHAENQ-UHFFFAOYSA-N 0 0 322.349 3.599 50 0 DHAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)CCC2 ZINC000012364892 563367181 /nfs/dbraw/zinc/36/71/81/563367181.db2.gz MVTHRLKXYYYWAU-LBPRGKRZSA-N 0 0 310.349 3.554 50 0 DHAARN C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000012380771 563367777 /nfs/dbraw/zinc/36/77/77/563367777.db2.gz UUSXTXLHBIQUAV-SECBINFHSA-N 0 0 324.327 3.656 50 0 DHAARN COc1cccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000012383777 563368534 /nfs/dbraw/zinc/36/85/34/563368534.db2.gz KDMYBQYWKNPHEB-LBPRGKRZSA-N 0 0 303.789 3.769 50 0 DHAARN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccncc1 ZINC000012383938 563368556 /nfs/dbraw/zinc/36/85/56/563368556.db2.gz BMOFKTDBQRITMO-LBPRGKRZSA-N 0 0 318.804 3.770 50 0 DHAARN COc1cc(/N=c2\ssnc2Cl)c(OC)cc1Cl ZINC000012418116 563368853 /nfs/dbraw/zinc/36/88/53/563368853.db2.gz VOQMETKMNGYFQC-RAXLEYEMSA-N 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AAWQFWLZIBEBGJ-UHFFFAOYSA-N 0 0 308.385 3.720 50 0 DHAARN O=C(C[C@H](c1ccccc1)c1ccccc1F)N1CCCCO1 ZINC000012573956 563371681 /nfs/dbraw/zinc/37/16/81/563371681.db2.gz WMYUYXGRADSHFZ-QGZVFWFLSA-N 0 0 313.372 3.902 50 0 DHAARN O=C(c1cccc(F)c1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012704270 563372280 /nfs/dbraw/zinc/37/22/80/563372280.db2.gz BWVBSTCCRZZMKX-KRWDZBQOSA-N 0 0 316.351 3.682 50 0 DHAARN Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000012632525 563372459 /nfs/dbraw/zinc/37/24/59/563372459.db2.gz BDAMTNACEILWEQ-LBPRGKRZSA-N 0 0 303.793 3.791 50 0 DHAARN COc1cccc(-c2noc(-c3occc3Br)n2)c1 ZINC000012655193 563372656 /nfs/dbraw/zinc/37/26/56/563372656.db2.gz DXNGIXLIYRIGHO-UHFFFAOYSA-N 0 0 321.130 3.768 50 0 DHAARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000004363110 563373000 /nfs/dbraw/zinc/37/30/00/563373000.db2.gz CHNXZKVNWQUJIB-SSFAQJFESA-N 0 0 312.453 3.883 50 0 DHAARN Cc1cnc(NC(=O)Cc2coc3cc(C)c(C)cc23)s1 ZINC000012802292 563374131 /nfs/dbraw/zinc/37/41/31/563374131.db2.gz PHFHYVDDHKRXHP-UHFFFAOYSA-N 0 0 300.383 3.996 50 0 DHAARN O=c1cc(COc2ccccc2Cl)c2ccc(O)cc2o1 ZINC000032666457 563375568 /nfs/dbraw/zinc/37/55/68/563375568.db2.gz DMETXDJTKVSJQL-UHFFFAOYSA-N 0 0 302.713 3.731 50 0 DHAARN CCCCc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 ZINC000012976301 563375868 /nfs/dbraw/zinc/37/58/68/563375868.db2.gz IORUXJQLENJIRD-UHFFFAOYSA-N 0 0 320.396 3.862 50 0 DHAARN CC(C)n1ncc2cc(NC(=O)c3ccc(F)cc3F)cnc21 ZINC000012995114 563376564 /nfs/dbraw/zinc/37/65/64/563376564.db2.gz YUVPJSAEKHXEKP-UHFFFAOYSA-N 0 0 316.311 3.543 50 0 DHAARN O=C(NC1CC1)[C@@H](Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000013000507 563376610 /nfs/dbraw/zinc/37/66/10/563376610.db2.gz LWQZEVKSYNTODJ-INIZCTEOSA-N 0 0 318.779 3.911 50 0 DHAARN C[C@@H](NC(=O)CN1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000013041124 563377226 /nfs/dbraw/zinc/37/72/26/563377226.db2.gz YRNGAGUBKPVCOW-CYBMUJFWSA-N 0 0 314.816 3.580 50 0 DHAARN COCc1nc2ccccc2n1CCCOc1ccc(C)cc1 ZINC000013017735 563377367 /nfs/dbraw/zinc/37/73/67/563377367.db2.gz DRRZBMWHRVHPFJ-UHFFFAOYSA-N 0 0 310.397 3.960 50 0 DHAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(F)cc1 ZINC000013002292 563377416 /nfs/dbraw/zinc/37/74/16/563377416.db2.gz FTWGXOCPJOVUOA-UHFFFAOYSA-N 0 0 324.359 3.675 50 0 DHAARN CCc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000013002219 563377430 /nfs/dbraw/zinc/37/74/30/563377430.db2.gz HPWNOOBWIPFUNF-UHFFFAOYSA-N 0 0 308.385 3.827 50 0 DHAARN CCc1ccccc1OCC(=O)N(C)Cc1cccc(Cl)c1 ZINC000013097997 563378108 /nfs/dbraw/zinc/37/81/08/563378108.db2.gz LKXBLZWNUBIZFZ-UHFFFAOYSA-N 0 0 317.816 3.940 50 0 DHAARN CCc1cc(Br)ccc1NC(=O)c1cccnc1 ZINC000013325676 563380578 /nfs/dbraw/zinc/38/05/78/563380578.db2.gz MNDVCHAYCQNQSH-UHFFFAOYSA-N 0 0 305.175 3.659 50 0 DHAARN O=C(NCc1ccccc1F)c1ccc(Br)s1 ZINC000013327446 563380832 /nfs/dbraw/zinc/38/08/32/563380832.db2.gz HUTMTEJHSQMALV-UHFFFAOYSA-N 0 0 314.179 3.580 50 0 DHAARN CCCc1ccc([C@@H](C)NC(=O)c2c(C)onc2CC)cc1 ZINC000013329077 563381119 /nfs/dbraw/zinc/38/11/19/563381119.db2.gz AOECSZXWXJRXGC-GFCCVEGCSA-N 0 0 300.402 3.989 50 0 DHAARN Cc1cnc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)s1 ZINC000013330289 563381499 /nfs/dbraw/zinc/38/14/99/563381499.db2.gz HPAQVAJQQDLGIM-LBPRGKRZSA-N 0 0 304.415 3.981 50 0 DHAARN Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@H]2C(C)C)cc1 ZINC000013381823 563381530 /nfs/dbraw/zinc/38/15/30/563381530.db2.gz HRSUJLDSSMFIOV-DOTOQJQBSA-N 0 0 320.458 3.570 50 0 DHAARN CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1C ZINC000013582361 563383245 /nfs/dbraw/zinc/38/32/45/563383245.db2.gz VDHJYYQDFOCQOR-UHFFFAOYSA-N 0 0 312.369 3.604 50 0 DHAARN C[C@@H](Sc1ccc(N)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013578892 563383543 /nfs/dbraw/zinc/38/35/43/563383543.db2.gz HCDLLEKERCBFKF-CHWSQXEVSA-N 0 0 312.438 3.727 50 0 DHAARN Cc1ccsc1CN(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000032721340 563383893 /nfs/dbraw/zinc/38/38/93/563383893.db2.gz YFOPRXPPWMIWSG-UHFFFAOYSA-N 0 0 311.410 3.514 50 0 DHAARN O=C(Nc1ncccc1O)c1ccc(-c2ccc(F)cc2)s1 ZINC000032721949 563384840 /nfs/dbraw/zinc/38/48/40/563384840.db2.gz DAIWYVLHHYASEO-UHFFFAOYSA-N 0 0 314.341 3.907 50 0 DHAARN Cc1nnc2sc([C@@H](C)c3ccc(CC(C)C)cc3)nn12 ZINC000013681092 563385819 /nfs/dbraw/zinc/38/58/19/563385819.db2.gz UZRATLXUWSGNPC-NSHDSACASA-N 0 0 300.431 3.845 50 0 DHAARN COCc1ccc(C(=O)Nc2cc(C)nc3ccc(C)cc32)o1 ZINC000013692312 563386039 /nfs/dbraw/zinc/38/60/39/563386039.db2.gz WVIYYVYBPPEONB-UHFFFAOYSA-N 0 0 310.353 3.843 50 0 DHAARN Cn1cc(/C=C2\N=C(c3ccccc3F)OC2=O)c2ccccc21 ZINC000013731760 563388037 /nfs/dbraw/zinc/38/80/37/563388037.db2.gz WWVAPDSGNZQELE-YBEGLDIGSA-N 0 0 320.323 3.662 50 0 DHAARN Cc1nc(-c2ccc(Oc3ncnc4sccc43)cc2)no1 ZINC000032739704 563388952 /nfs/dbraw/zinc/38/89/52/563388952.db2.gz GICYRAQOBMODJS-UHFFFAOYSA-N 0 0 310.338 3.842 50 0 DHAARN CCCCN(CCCC)S(=O)(=O)c1ccc(F)cc1F ZINC000013939980 563392724 /nfs/dbraw/zinc/39/27/24/563392724.db2.gz VKDYQPTXAIDFID-UHFFFAOYSA-N 0 0 305.390 3.556 50 0 DHAARN Cc1cc(O[C@@H](C)C(=O)Nc2cccnc2)cc(C)c1Cl ZINC000014000137 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CCc1cc(C(=O)NCCc2ccccc2OC)sc1C ZINC000032986562 563458953 /nfs/dbraw/zinc/45/89/53/563458953.db2.gz IGVWXOLYKYJIQS-UHFFFAOYSA-N 0 0 303.427 3.600 50 0 DHAARN Cc1nc(-c2cccc(C(=O)Nc3cccc(C)c3C)c2)no1 ZINC000032996533 563459623 /nfs/dbraw/zinc/45/96/23/563459623.db2.gz NJRQKMBNKFWJSP-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN CCc1cccc(NC(=O)c2cccc(-c3noc(C)n3)c2)c1 ZINC000032996547 563459626 /nfs/dbraw/zinc/45/96/26/563459626.db2.gz ZOOXGTFEDLWWPS-UHFFFAOYSA-N 0 0 307.353 3.860 50 0 DHAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 ZINC000004591649 563461216 /nfs/dbraw/zinc/46/12/16/563461216.db2.gz BXWTYBDFRSRDAC-VLIAUNLRSA-N 0 0 322.408 3.926 50 0 DHAARN CCOc1ccc([C@@H](C)NC(=O)c2cn3cc(C)ccc3n2)cc1 ZINC000097939150 563461280 /nfs/dbraw/zinc/46/12/80/563461280.db2.gz GTOAFEDDAQHISE-CQSZACIVSA-N 0 0 323.396 3.532 50 0 DHAARN C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1 ZINC000044934277 563464189 /nfs/dbraw/zinc/46/41/89/563464189.db2.gz CIEAOCANXSOWMR-AWEZNQCLSA-N 0 0 323.371 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CC(C)N(Cc1ccccc1Cl)C(=O)Cc1ccncc1 ZINC000055090944 563470794 /nfs/dbraw/zinc/47/07/94/563470794.db2.gz JEISSDSHQJPESU-UHFFFAOYSA-N 0 0 302.805 3.715 50 0 DHAARN O=C(Nc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055087832 563471208 /nfs/dbraw/zinc/47/12/08/563471208.db2.gz NGMMORSXNOMQCE-JXMROGBWSA-N 0 0 321.424 3.550 50 0 DHAARN Cc1nc2ncccc2cc1C(=O)Nc1ccnn1[C@H](C)C(C)C ZINC000055414602 563475661 /nfs/dbraw/zinc/47/56/61/563475661.db2.gz NEUCPFXYVGPTMI-CYBMUJFWSA-N 0 0 323.400 3.604 50 0 DHAARN Cc1cccc(N2CCN(Cc3ccc(F)c(F)c3)CC2)c1C ZINC000055544098 563476092 /nfs/dbraw/zinc/47/60/92/563476092.db2.gz UCAFZLNMXMMDMF-UHFFFAOYSA-N 0 0 316.395 3.904 50 0 DHAARN Cc1cc(C)cc(NC(=O)[C@@H](SCCO)c2ccccc2)c1 ZINC000033045865 563476118 /nfs/dbraw/zinc/47/61/18/563476118.db2.gz XTCFHVKBPMZOGR-KRWDZBQOSA-N 0 0 315.438 3.709 50 0 DHAARN Cc1ccc(-c2ocnc2C(=O)Nc2cc(F)ccc2F)o1 ZINC000033049067 563477264 /nfs/dbraw/zinc/47/72/64/563477264.db2.gz XVUGCZLCEVHUAC-UHFFFAOYSA-N 0 0 304.252 3.774 50 0 DHAARN Cc1nc2ccc(NC(=O)N[C@H](C)c3nccs3)cc2s1 ZINC000078602673 563477301 /nfs/dbraw/zinc/47/73/01/563477301.db2.gz XQTZDAUFDBPTLY-MRVPVSSYSA-N 0 0 318.427 3.944 50 0 DHAARN C[C@@H](CC[C@@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000058341154 563478330 /nfs/dbraw/zinc/47/83/30/563478330.db2.gz ZXMYTRSBCJPMFG-BBRMVZONSA-N 0 0 321.848 3.836 50 0 DHAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3CS2)on1 ZINC000058369551 563478725 /nfs/dbraw/zinc/47/87/25/563478725.db2.gz GHJFQHFICMGZHN-UHFFFAOYSA-N 0 0 319.411 3.589 50 0 DHAARN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)n2ccnc2)o1 ZINC000096417134 563480492 /nfs/dbraw/zinc/48/04/92/563480492.db2.gz TXVMRJFHZNSKOD-ZBFHGGJFSA-N 0 0 315.417 3.743 50 0 DHAARN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)CC[C@@H]1CCCO1 ZINC000096415376 563480537 /nfs/dbraw/zinc/48/05/37/563480537.db2.gz BSGJPJTYAPLNQM-BHYGNILZSA-N 0 0 319.449 3.522 50 0 DHAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096422438 563481300 /nfs/dbraw/zinc/48/13/00/563481300.db2.gz 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HWVOSWGLXWSIBE-UHFFFAOYSA-N 0 0 310.147 3.527 50 0 DHAARN Cc1cc(C)n(CCn2ccnc2-c2nc(C(C)C)cs2)n1 ZINC000067491385 563487951 /nfs/dbraw/zinc/48/79/51/563487951.db2.gz QPKMFVKNUOHVJE-UHFFFAOYSA-N 0 0 315.446 3.644 50 0 DHAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)NCc1ncc[nH]1 ZINC000067739404 563489745 /nfs/dbraw/zinc/48/97/45/563489745.db2.gz WVLFCXNXOVIQCV-UHFFFAOYSA-N 0 0 315.760 3.562 50 0 DHAARN CCCSc1ncc(CN2CCC[C@H]2c2ccccn2)cn1 ZINC000067727201 563489925 /nfs/dbraw/zinc/48/99/25/563489925.db2.gz QLOVAXVZVZOPCQ-INIZCTEOSA-N 0 0 314.458 3.711 50 0 DHAARN O=C(c1cncc(-c2csc3ccccc32)n1)N1CCCCC1 ZINC000067743845 563490626 /nfs/dbraw/zinc/49/06/26/563490626.db2.gz BLWRIFDQNXZEMV-UHFFFAOYSA-N 0 0 323.421 3.984 50 0 DHAARN COCC1(C(=O)N(C)[C@H](C)c2cc3ccccc3[nH]2)CCC1 ZINC000067789152 563491163 /nfs/dbraw/zinc/49/11/63/563491163.db2.gz IVZIOJRBQBILGH-CYBMUJFWSA-N 0 0 300.402 3.504 50 0 DHAARN CC(C)c1noc([C@H]2CCCN2Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000067846904 563492040 /nfs/dbraw/zinc/49/20/40/563492040.db2.gz KJXYLYKLBMTVJK-CYBMUJFWSA-N 0 0 317.437 3.551 50 0 DHAARN COc1cccc(Cl)c1-c1ccc2nc([C@@H](C)O)[nH]c2c1 ZINC000067867887 563492144 /nfs/dbraw/zinc/49/21/44/563492144.db2.gz YLORKKPYRJSTIR-SECBINFHSA-N 0 0 302.761 3.945 50 0 DHAARN Cc1noc(C)c1CN(C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000067856128 563492342 /nfs/dbraw/zinc/49/23/42/563492342.db2.gz UYKXWAAFPUTVGO-INIZCTEOSA-N 0 0 304.390 3.758 50 0 DHAARN Cc1cnc(Oc2ccccc2CN2CCOCC2)c(Cl)c1 ZINC000067967458 563494119 /nfs/dbraw/zinc/49/41/19/563494119.db2.gz BWVNPKBPNUOHJQ-UHFFFAOYSA-N 0 0 318.804 3.668 50 0 DHAARN O=C(N=c1[nH]cc(-c2ccccc2)s1)OCC(F)(F)F ZINC000068585022 563495068 /nfs/dbraw/zinc/49/50/68/563495068.db2.gz OXNVLYWTIHGCGP-UHFFFAOYSA-N 0 0 302.277 3.921 50 0 DHAARN CCc1cc(-c2nccn2C[C@H](OC)c2cccs2)on1 ZINC000071388734 563498991 /nfs/dbraw/zinc/49/89/91/563498991.db2.gz FRILQZHSABVAMH-ZDUSSCGKSA-N 0 0 303.387 3.550 50 0 DHAARN O=C(Cc1ccc(Cl)cc1F)N1CCc2ccccc2C1 ZINC000071376258 563499049 /nfs/dbraw/zinc/49/90/49/563499049.db2.gz AXVNWKZXRNQKNJ-UHFFFAOYSA-N 0 0 303.764 3.607 50 0 DHAARN O=C(Nc1nc(C2CC2)cs1)c1cc(-c2ccccc2)no1 ZINC000033167649 563499135 /nfs/dbraw/zinc/49/91/35/563499135.db2.gz CGKNWBMABJYLAH-UHFFFAOYSA-N 0 0 311.366 3.928 50 0 DHAARN Cc1ocnc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071589480 563499504 /nfs/dbraw/zinc/49/95/04/563499504.db2.gz MDYPGNMZYVLGTA-HNNXBMFYSA-N 0 0 316.376 3.607 50 0 DHAARN O=C(c1ccc[nH]1)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071779857 563501386 /nfs/dbraw/zinc/50/13/86/563501386.db2.gz GOWCWHBXDHQWGE-CYBMUJFWSA-N 0 0 318.367 3.778 50 0 DHAARN Cc1ccccc1[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000072437485 563503691 /nfs/dbraw/zinc/50/36/91/563503691.db2.gz CMWQLZHTNPBFKN-MRXNPFEDSA-N 0 0 319.408 3.731 50 0 DHAARN CC(=O)Nc1ccc(F)c(NC(=O)N([C@H](C)C(C)C)C2CC2)c1 ZINC000097103644 563505217 /nfs/dbraw/zinc/50/52/17/563505217.db2.gz QORJPCQVKSOJLU-LLVKDONJSA-N 0 0 321.396 3.825 50 0 DHAARN COC(=O)c1ccc(CNc2nc3ccccc3n2C2CC2)cc1 ZINC000097143610 563506664 /nfs/dbraw/zinc/50/66/64/563506664.db2.gz GWHIRNWODZFHPK-UHFFFAOYSA-N 0 0 321.380 3.770 50 0 DHAARN COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccsc2)o1 ZINC000097147981 563506995 /nfs/dbraw/zinc/50/69/95/563506995.db2.gz JQJWRAIZNHEHJB-AWEZNQCLSA-N 0 0 320.414 3.534 50 0 DHAARN Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CCN(C)C1 ZINC000000036611 563507272 /nfs/dbraw/zinc/50/72/72/563507272.db2.gz OHKBLWVRXBNICP-UHFFFAOYSA-N 0 0 305.425 3.575 50 0 DHAARN CN(Cc1ccco1)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000097164569 563507645 /nfs/dbraw/zinc/50/76/45/563507645.db2.gz FICSYDSUQNEUSD-UHFFFAOYSA-N 0 0 300.145 3.645 50 0 DHAARN CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)C1CCCCC1 ZINC000077376603 563508879 /nfs/dbraw/zinc/50/88/79/563508879.db2.gz UNCFIZYIAGBASR-INIZCTEOSA-N 0 0 300.446 3.552 50 0 DHAARN Cc1csc(N2CCC([C@H](O)CCc3ccccc3)CC2)n1 ZINC000077376420 563508898 /nfs/dbraw/zinc/50/88/98/563508898.db2.gz AKBKGLQPLAKAAB-QGZVFWFLSA-N 0 0 316.470 3.662 50 0 DHAARN COCC1(Cn2ccnc2-c2nccn2C(C)C)CCCC1 ZINC000077322416 563509005 /nfs/dbraw/zinc/50/90/05/563509005.db2.gz UDRDHUDISSKYLT-UHFFFAOYSA-N 0 0 302.422 3.534 50 0 DHAARN Cc1occc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000077470834 563511087 /nfs/dbraw/zinc/51/10/87/563511087.db2.gz JJBAFKZQINYNLX-CQSZACIVSA-N 0 0 317.360 3.658 50 0 DHAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2c1C ZINC000077487557 563511108 /nfs/dbraw/zinc/51/11/08/563511108.db2.gz MPBRMZRZMNMTDU-OAHLLOKOSA-N 0 0 322.412 3.528 50 0 DHAARN Cc1nc(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)cs1 ZINC000077457263 563511146 /nfs/dbraw/zinc/51/11/46/563511146.db2.gz QRJDQAAPDBCZFI-MRXNPFEDSA-N 0 0 318.417 3.887 50 0 DHAARN COc1cccc(OCCc2ccc([C@H](C)NC(C)=O)cc2)c1 ZINC000077555178 563511482 /nfs/dbraw/zinc/51/14/82/563511482.db2.gz QTHTXCAJJQHIOC-AWEZNQCLSA-N 0 0 313.397 3.514 50 0 DHAARN Cc1nc([C@H](C)N(C)Cc2nc(-c3ccco3)no2)c(C)s1 ZINC000077505866 563511569 /nfs/dbraw/zinc/51/15/69/563511569.db2.gz MWQBJYDGAFGWFK-VIFPVBQESA-N 0 0 318.402 3.596 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)N3Cc4ccccc4C3)cc2)n1 ZINC000077536381 563511799 /nfs/dbraw/zinc/51/17/99/563511799.db2.gz FZKMFCXEDBUGSU-UHFFFAOYSA-N 0 0 317.392 3.645 50 0 DHAARN CCSc1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)s1 ZINC000077536437 563512128 /nfs/dbraw/zinc/51/21/28/563512128.db2.gz XAEITHFSGQNJQC-LLVKDONJSA-N 0 0 321.471 3.603 50 0 DHAARN CC[C@H](Nc1cncc(-c2nncn2C)c1)c1ccc(F)cc1 ZINC000097231614 563514683 /nfs/dbraw/zinc/51/46/83/563514683.db2.gz UOYNXRRIARWKMQ-INIZCTEOSA-N 0 0 311.364 3.579 50 0 DHAARN Cc1nnc([C@H]2CCCN2C(=O)c2cc(C)c(C)cc2Cl)o1 ZINC000097237095 563514711 /nfs/dbraw/zinc/51/47/11/563514711.db2.gz LBWBHZZBTOCVHP-CQSZACIVSA-N 0 0 319.792 3.626 50 0 DHAARN CC(C)n1cc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)cn1 ZINC000097231987 563514727 /nfs/dbraw/zinc/51/47/27/563514727.db2.gz FPNREBHRHQSRSM-ZDUSSCGKSA-N 0 0 314.389 3.594 50 0 DHAARN CC[C@@H](c1nnc(NCc2scnc2C)o1)c1ccccc1 ZINC000097231704 563514804 /nfs/dbraw/zinc/51/48/04/563514804.db2.gz USGJPIMMWDAYJF-CYBMUJFWSA-N 0 0 314.414 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Cc1csc(NC(=O)N2CCCC[C@H]2c2nccs2)n1 ZINC000176257345 563538351 /nfs/dbraw/zinc/53/83/51/563538351.db2.gz PCJPMOKFOXHYEY-JTQLQIEISA-N 0 0 308.432 3.667 50 0 DHAARN CC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000097217572 563538845 /nfs/dbraw/zinc/53/88/45/563538845.db2.gz WQXCUUGZYMJLDF-GOSISDBHSA-N 0 0 320.396 3.695 50 0 DHAARN CCC[C@@H](NC(=O)CCc1[nH]nc(C)c1C)c1cccs1 ZINC000097602179 563540207 /nfs/dbraw/zinc/54/02/07/563540207.db2.gz FGGNBRVIAMCPJD-CQSZACIVSA-N 0 0 305.447 3.678 50 0 DHAARN CC(C)c1nc(CN(Cc2ccccc2)C[C@H]2CCCO2)co1 ZINC000097604234 563540212 /nfs/dbraw/zinc/54/02/12/563540212.db2.gz RYEPIXSIBITFLY-GOSISDBHSA-N 0 0 314.429 3.979 50 0 DHAARN CCN(Cc1ccc(F)cc1)C(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000097578576 563540566 /nfs/dbraw/zinc/54/05/66/563540566.db2.gz ZBKUDKKUQPGDKQ-UHFFFAOYSA-N 0 0 323.371 3.878 50 0 DHAARN O=C(NC[C@H]1CCOc2ccccc2C1)c1ccc2cc[nH]c2c1 ZINC000097636646 563541304 /nfs/dbraw/zinc/54/13/04/563541304.db2.gz AXSHQLLNNCWSAI-AWEZNQCLSA-N 0 0 320.392 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/nfs/dbraw/zinc/78/67/38/563786738.db2.gz AQFSVVMZMRHOPL-UHFFFAOYSA-N 0 0 318.325 3.538 50 0 DHAARN Cc1ccnc(NC(=O)c2cccc(NC(=O)CC(C)C)c2)c1 ZINC000001006516 563786765 /nfs/dbraw/zinc/78/67/65/563786765.db2.gz OKIGKYBEGHFKNO-UHFFFAOYSA-N 0 0 311.385 3.627 50 0 DHAARN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O ZINC000001008424 563787042 /nfs/dbraw/zinc/78/70/42/563787042.db2.gz SUWLVPXNQDMLSR-AHEVQNHNSA-N 0 0 321.398 3.539 50 0 DHAARN O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(F)cc1 ZINC000001011150 563787555 /nfs/dbraw/zinc/78/75/55/563787555.db2.gz GDBACZPJITYCAX-MDWZMJQESA-N 0 0 303.314 3.655 50 0 DHAARN Cc1cc2cc(NC(=O)c3cc(-c4cccnc4)on3)ccc2[nH]1 ZINC000052589066 563789079 /nfs/dbraw/zinc/78/90/79/563789079.db2.gz YXWQYGGLMWVYOD-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN C[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000183508053 563795404 /nfs/dbraw/zinc/79/54/04/563795404.db2.gz GRXYGCACVTWRJO-MRVPVSSYSA-N 0 0 315.225 3.983 50 0 DHAARN CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(O)c1 ZINC000063536987 563796081 /nfs/dbraw/zinc/79/60/81/563796081.db2.gz YEOXZCJTPNQOLC-UHFFFAOYSA-N 0 0 309.818 3.698 50 0 DHAARN CCN(Cc1ccccc1)C(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000183921118 563796284 /nfs/dbraw/zinc/79/62/84/563796284.db2.gz GUCGRIHNCAWHRT-CYBMUJFWSA-N 0 0 317.458 3.787 50 0 DHAARN Cc1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1 ZINC000012484991 563796808 /nfs/dbraw/zinc/79/68/08/563796808.db2.gz MXDIZUNMLPSFCK-UHFFFAOYSA-N 0 0 318.376 3.511 50 0 DHAARN OCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000001926864 563796908 /nfs/dbraw/zinc/79/69/08/563796908.db2.gz HKPAVMZVZVXYEY-UHFFFAOYSA-N 0 0 307.180 3.884 50 0 DHAARN O=C([O-])[C@@H]1CCCN1Cc1nc(-c2ccccc2Cl)cs1 ZINC000263564388 563797716 /nfs/dbraw/zinc/79/77/16/563797716.db2.gz DXWFQLFEACYSOD-ZDUSSCGKSA-N 0 0 322.817 3.513 50 0 DHAARN Cc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 ZINC000012534646 563799205 /nfs/dbraw/zinc/79/92/05/563799205.db2.gz LVDHIQHNMQNGQF-UHFFFAOYSA-N 0 0 323.421 3.773 50 0 DHAARN O=C(Nc1nc2ccccc2[nH]1)c1ccccc1C(F)(F)F ZINC000012546511 563800395 /nfs/dbraw/zinc/80/03/95/563800395.db2.gz BTJQQCGRYISLMM-UHFFFAOYSA-N 0 0 305.259 3.834 50 0 DHAARN O=C(CCSCc1ccc(Cl)cc1)Nc1cccnc1 ZINC000012555310 563801118 /nfs/dbraw/zinc/80/11/18/563801118.db2.gz SXILKKFJGMYQIJ-UHFFFAOYSA-N 0 0 306.818 3.997 50 0 DHAARN COc1cccc(-c2noc(CN3c4ccccc4C[C@@H]3C)n2)c1 ZINC000012563460 563801560 /nfs/dbraw/zinc/80/15/60/563801560.db2.gz GKWAMJLOTBUUQF-ZDUSSCGKSA-N 0 0 321.380 3.696 50 0 DHAARN Cc1nnc(NC(=O)c2ccsc2-n2c(C)ccc2C)s1 ZINC000012567084 563801696 /nfs/dbraw/zinc/80/16/96/563801696.db2.gz QBLPQAWLGMYRHA-UHFFFAOYSA-N 0 0 318.427 3.568 50 0 DHAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000012560137 563801748 /nfs/dbraw/zinc/80/17/48/563801748.db2.gz AORJKZBMFUCPOD-MRXNPFEDSA-N 0 0 309.344 3.679 50 0 DHAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1F ZINC000012595463 563802677 /nfs/dbraw/zinc/80/26/77/563802677.db2.gz JGDTWOPWODFTND-LLVKDONJSA-N 0 0 316.351 3.893 50 0 DHAARN O=C([O-])CCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000116339423 563802779 /nfs/dbraw/zinc/80/27/79/563802779.db2.gz ISHZZMZPKCMSKS-HNNXBMFYSA-N 0 0 307.440 3.622 50 0 DHAARN C[C@@H](S[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)N(C)C ZINC000077398934 563802927 /nfs/dbraw/zinc/80/29/27/563802927.db2.gz DLTNIZMZGCHTJJ-VHSXEESVSA-N 0 0 305.365 3.976 50 0 DHAARN COc1ccc(O[C@@H](C)C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000012606379 563803382 /nfs/dbraw/zinc/80/33/82/563803382.db2.gz QEUYMNLUUMDWCU-ZDUSSCGKSA-N 0 0 322.364 3.649 50 0 DHAARN CC(C)c1cccc(NC(=O)N(C)CCC2(O)CCCC2)c1 ZINC000299765800 563805647 /nfs/dbraw/zinc/80/56/47/563805647.db2.gz BMTGYCHYEFRCAA-UHFFFAOYSA-N 0 0 304.434 3.969 50 0 DHAARN CCCc1n[nH]cc1C(=O)N1CC[C@H](c2ccccc2Cl)C1 ZINC000299780501 563805685 /nfs/dbraw/zinc/80/56/85/563805685.db2.gz NUVSCOBDRHGSBC-LBPRGKRZSA-N 0 0 317.820 3.645 50 0 DHAARN Cc1cc(NC(=O)N2CC=C[C@H]2C(C)C)n(C2CCCC2)n1 ZINC000299771045 563805870 /nfs/dbraw/zinc/80/58/70/563805870.db2.gz YQXPICTUPUGKQE-HNNXBMFYSA-N 0 0 302.422 3.735 50 0 DHAARN CC[C@@H](C)c1ccc(NC(=O)N(C)CCc2noc(C)n2)cc1 ZINC000299797013 563806263 /nfs/dbraw/zinc/80/62/63/563806263.db2.gz PEJMRROOEQDAGL-GFCCVEGCSA-N 0 0 316.405 3.598 50 0 DHAARN Cc1nc(-c2ccc(CCNC(=O)c3ccoc3)cc2)cs1 ZINC000012621425 563807348 /nfs/dbraw/zinc/80/73/48/563807348.db2.gz DBFBUAWIMGZUKN-UHFFFAOYSA-N 0 0 312.394 3.684 50 0 DHAARN COc1ccc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)cc1F ZINC000078556207 563808682 /nfs/dbraw/zinc/80/86/82/563808682.db2.gz KAVLQGDDHVFIBV-FIKIJFGZSA-N 0 0 310.365 3.983 50 0 DHAARN CC(=O)Nc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 ZINC000001238669 563809505 /nfs/dbraw/zinc/80/95/05/563809505.db2.gz SBCKMOXRURGLGK-UHFFFAOYSA-N 0 0 320.146 3.544 50 0 DHAARN Cc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000001326677 563811493 /nfs/dbraw/zinc/81/14/93/563811493.db2.gz XQERJHCGJVKPPO-UHFFFAOYSA-N 0 0 319.408 3.891 50 0 DHAARN COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCO3)C(C)C)cc1 ZINC000032124098 563811563 /nfs/dbraw/zinc/81/15/63/563811563.db2.gz UDAWBYPLNRJPMH-LJQANCHMSA-N 0 0 313.397 3.911 50 0 biogenic DHAARN COc1cccc([C@@H](C)Sc2ccccc2S(C)(=O)=O)c1 ZINC000083597136 563812183 /nfs/dbraw/zinc/81/21/83/563812183.db2.gz QPBUOHHWRLPYMP-GFCCVEGCSA-N 0 0 322.451 3.952 50 0 DHAARN CN(Cc1cccc(O)c1)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000083864148 563813823 /nfs/dbraw/zinc/81/38/23/563813823.db2.gz MJKBRNRIXKNHEE-KBPBESRZSA-N 0 0 315.335 3.719 50 0 DHAARN COC[C@@H](C)NC(=O)c1ccccc1SCc1ccccc1 ZINC000010338169 563814456 /nfs/dbraw/zinc/81/44/56/563814456.db2.gz NNXGQXXPYOQLJS-CQSZACIVSA-N 0 0 315.438 3.744 50 0 DHAARN CNc1cc(CSc2ccccc2)nc(-c2ccncc2)n1 ZINC000001383080 563814551 /nfs/dbraw/zinc/81/45/51/563814551.db2.gz ATDSMVBSDSDORH-UHFFFAOYSA-N 0 0 308.410 3.873 50 0 DHAARN O=C1c2ccccc2C2(CCCC2)C(=O)N1Cc1ccccc1 ZINC000001387691 563815317 /nfs/dbraw/zinc/81/53/17/563815317.db2.gz PZYRZALEFWHDTJ-UHFFFAOYSA-N 0 0 305.377 3.681 50 0 DHAARN Fc1ccc(OCc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000001394902 563817603 /nfs/dbraw/zinc/81/76/03/563817603.db2.gz XKFQGJDNKMDDMR-UHFFFAOYSA-N 0 0 324.311 3.590 50 0 DHAARN Cc1cccc(OCC(=O)Nc2ccn(-c3ccccc3)n2)c1C ZINC000012737126 563817992 /nfs/dbraw/zinc/81/79/92/563817992.db2.gz XHXHYVAOJQOLNR-UHFFFAOYSA-N 0 0 321.380 3.507 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(Cl)n1 ZINC000001403190 563818610 /nfs/dbraw/zinc/81/86/10/563818610.db2.gz XGKFNVJGJWBCCT-UHFFFAOYSA-N 0 0 309.818 3.801 50 0 DHAARN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1cccs1 ZINC000032204515 563819111 /nfs/dbraw/zinc/81/91/11/563819111.db2.gz MTHCJTTUNNPQQJ-HNNXBMFYSA-N 0 0 324.405 3.567 50 0 DHAARN COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1F ZINC000012740435 563819161 /nfs/dbraw/zinc/81/91/61/563819161.db2.gz KYBYGBRBRPOGEP-UHFFFAOYSA-N 0 0 300.289 3.536 50 0 DHAARN Cc1nn2c(nccc2-c2ccc(C)cc2)c1Br ZINC000001403920 563819592 /nfs/dbraw/zinc/81/95/92/563819592.db2.gz HDCUUSFKSLUQBY-UHFFFAOYSA-N 0 0 302.175 3.776 50 0 DHAARN OCc1cc(Br)ccc1OCc1ccccc1F ZINC000000474918 563820229 /nfs/dbraw/zinc/82/02/29/563820229.db2.gz OTVPYTAIVQOVDD-UHFFFAOYSA-N 0 0 311.150 3.660 50 0 DHAARN Cc1nc(Cl)ccc1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000084028787 563821264 /nfs/dbraw/zinc/82/12/64/563821264.db2.gz VAPFYWBEXNMZIM-AWEZNQCLSA-N 0 0 314.816 3.893 50 0 DHAARN Cc1cc([C@H](C)NC(=O)c2cnn(Cc3ccccc3)c2)c(C)o1 ZINC000084081664 563821657 /nfs/dbraw/zinc/82/16/57/563821657.db2.gz NIDWMTXZOGDOSJ-AWEZNQCLSA-N 0 0 323.396 3.632 50 0 DHAARN COc1ccc(OCCC(=O)Nc2cccc3cccnc32)cc1 ZINC000012749860 563822374 /nfs/dbraw/zinc/82/23/74/563822374.db2.gz QYVOGDZEWUUNFO-UHFFFAOYSA-N 0 0 322.364 3.651 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccco1 ZINC000012750750 563823476 /nfs/dbraw/zinc/82/34/76/563823476.db2.gz YAGAAZTXBLUWLR-GOSISDBHSA-N 0 0 317.348 3.675 50 0 DHAARN C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1Cl ZINC000012754200 563824982 /nfs/dbraw/zinc/82/49/82/563824982.db2.gz XHEQAGSFYZBBJC-GFCCVEGCSA-N 0 0 322.861 3.538 50 0 DHAARN CCSc1ccc(Cl)cc1C(=O)NC[C@H](C)C[C@@H](C)O ZINC000084301802 563825564 /nfs/dbraw/zinc/82/55/64/563825564.db2.gz WFIPATHMMXZWDC-GHMZBOCLSA-N 0 0 315.866 3.589 50 0 DHAARN Cc1cnc(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000084258158 563825626 /nfs/dbraw/zinc/82/56/26/563825626.db2.gz LRYAFZKTQMSOBF-CHWSQXEVSA-N 0 0 317.820 3.703 50 0 DHAARN Fc1ccc2ccc(NCc3ccc(-n4ccnc4)nc3)nc2c1 ZINC000084383515 563826313 /nfs/dbraw/zinc/82/63/13/563826313.db2.gz WKXFKMRPGZFIKW-UHFFFAOYSA-N 0 0 319.343 3.567 50 0 DHAARN CC(=O)c1ccccc1C(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000073939842 563826543 /nfs/dbraw/zinc/82/65/43/563826543.db2.gz SSENGCHOQIQLBD-WFASDCNBSA-N 0 0 313.422 3.969 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnoc1-c1ccco1 ZINC000084432832 563827022 /nfs/dbraw/zinc/82/70/22/563827022.db2.gz CEAOWGKUQOSCTQ-UHFFFAOYSA-N 0 0 306.680 3.979 50 0 DHAARN Cc1cc(C)cc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 ZINC000012769370 563827492 /nfs/dbraw/zinc/82/74/92/563827492.db2.gz FAYVUDQXMBUVJA-AWEZNQCLSA-N 0 0 308.381 3.681 50 0 DHAARN CC(C)Cc1csc2[nH]c(Cc3cccs3)nc(=O)c12 ZINC000012771959 563828380 /nfs/dbraw/zinc/82/83/80/563828380.db2.gz PXHJGBIBLZIYES-UHFFFAOYSA-N 0 0 304.440 3.835 50 0 DHAARN CS[C@H]1CC[C@@H](NC(=O)N(CCC(F)(F)F)C2CCC2)C1 ZINC000084642963 563828867 /nfs/dbraw/zinc/82/88/67/563828867.db2.gz QPXFLNSKLZAGTR-PWSUYJOCSA-N 0 0 324.412 3.787 50 0 DHAARN CC(C)c1nc(CC(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1 ZINC000084630980 563829096 /nfs/dbraw/zinc/82/90/96/563829096.db2.gz AECJDWVJCAUESS-GJZGRUSLSA-N 0 0 318.417 3.620 50 0 DHAARN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1csc(C2CC2)n1 ZINC000084667549 563829868 /nfs/dbraw/zinc/82/98/68/563829868.db2.gz DGZMPYHTLQHXJD-MQJDWESPSA-N 0 0 320.483 3.609 50 0 DHAARN CC[C@@H](c1ccc(Cl)cc1)N1CCn2c(nnc2C2CC2)C1 ZINC000084734031 563830523 /nfs/dbraw/zinc/83/05/23/563830523.db2.gz SXJFGGGRAHLFMQ-HNNXBMFYSA-N 0 0 316.836 3.776 50 0 DHAARN CCOCc1ccccc1NC(=O)NC[C@]1(C)CCCS1 ZINC000084802795 563831330 /nfs/dbraw/zinc/83/13/30/563831330.db2.gz TUQSZHLRMHIDOB-INIZCTEOSA-N 0 0 308.447 3.630 50 0 DHAARN COc1cccc(-n2ccnc2S[C@H]2CCCCCC2=O)c1 ZINC000026045343 563839039 /nfs/dbraw/zinc/83/90/39/563839039.db2.gz XEZWKPOPLNQDDH-INIZCTEOSA-N 0 0 316.426 3.875 50 0 DHAARN FC(F)(F)c1ccc(SCc2nnsc2Cl)nc1 ZINC000035164543 563839079 /nfs/dbraw/zinc/83/90/79/563839079.db2.gz SXWNCPQRNPXPII-UHFFFAOYSA-N 0 0 311.741 3.898 50 0 DHAARN C#C[C@]1(O)C=C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21CC ZINC000001482075 563839479 /nfs/dbraw/zinc/83/94/79/563839479.db2.gz SIGSPDASOTUPFS-PZAQWVNCSA-N 0 0 310.437 3.659 50 0 biogenic,in-vitro DHAARN C[C@H]1c2[nH]c3ccccc3c2CCN1Cc1noc(C(C)(C)C)n1 ZINC000053264941 563839988 /nfs/dbraw/zinc/83/99/88/563839988.db2.gz LVAXIFFBINMOGL-LBPRGKRZSA-N 0 0 324.428 3.968 50 0 DHAARN O=C(Nc1nc2c(s1)CCC2)c1ccccc1C(F)(F)F ZINC000012849435 563844426 /nfs/dbraw/zinc/84/44/26/563844426.db2.gz FRIDMCJMNIBEGV-UHFFFAOYSA-N 0 0 312.316 3.903 50 0 DHAARN CSc1ccccc1NCc1noc(Cc2ccccc2)n1 ZINC000086190155 563844956 /nfs/dbraw/zinc/84/49/56/563844956.db2.gz JASANUGAKHLNPZ-UHFFFAOYSA-N 0 0 311.410 3.994 50 0 DHAARN NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000034797502 563847401 /nfs/dbraw/zinc/84/74/01/563847401.db2.gz PHNWDYKOQPFBJK-OAHLLOKOSA-N 0 0 315.829 3.735 50 0 DHAARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2CO ZINC000257345873 563850249 /nfs/dbraw/zinc/85/02/49/563850249.db2.gz LZQLIEBYTFBACW-NPBKEMFKSA-N 0 0 304.474 3.919 50 0 DHAARN CN(Cc1csc2ccccc12)C(=O)COC1CCCC1 ZINC000053312131 563851067 /nfs/dbraw/zinc/85/10/67/563851067.db2.gz UTGQFPVVWOHKLO-UHFFFAOYSA-N 0 0 303.427 3.819 50 0 DHAARN Cc1ccc(NCC(=O)N2CCSc3ccccc32)cc1F ZINC000012908366 563853176 /nfs/dbraw/zinc/85/31/76/563853176.db2.gz RLPWHNISTMWDLB-UHFFFAOYSA-N 0 0 316.401 3.685 50 0 DHAARN COc1ccc(OC)c(NC(=O)CCCc2cccs2)c1 ZINC000012904747 563853239 /nfs/dbraw/zinc/85/32/39/563853239.db2.gz OLZIZFDPPOZUGD-UHFFFAOYSA-N 0 0 305.399 3.727 50 0 DHAARN Cc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)n1 ZINC000012903376 563853432 /nfs/dbraw/zinc/85/34/32/563853432.db2.gz KIDOAHZEKBHNHJ-UHFFFAOYSA-N 0 0 310.275 3.583 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000012909351 563853821 /nfs/dbraw/zinc/85/38/21/563853821.db2.gz QWZCJCTWHDJVGX-UHFFFAOYSA-N 0 0 319.411 3.983 50 0 DHAARN Cc1nc2ccccc2nc1Sc1nnc(NC2CC2)s1 ZINC000012914988 563853940 /nfs/dbraw/zinc/85/39/40/563853940.db2.gz OFTQCORETKDCGT-UHFFFAOYSA-N 0 0 315.427 3.515 50 0 DHAARN COc1ccccc1CNC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C ZINC000012925618 563854933 /nfs/dbraw/zinc/85/49/33/563854933.db2.gz NBAAOINLIHZLLM-STQMWFEESA-N 0 0 311.381 3.510 50 0 DHAARN CCc1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000012926545 563855139 /nfs/dbraw/zinc/85/51/39/563855139.db2.gz LTOZINYKTSRSNH-UHFFFAOYSA-N 0 0 322.408 3.557 50 0 DHAARN C[C@H](OC(=O)c1cc2cc(F)ccc2s1)c1cnccn1 ZINC000075092156 563859212 /nfs/dbraw/zinc/85/92/12/563859212.db2.gz AMKLVMDKAKIFEN-VIFPVBQESA-N 0 0 302.330 3.748 50 0 DHAARN CC1(C)CCC[C@@H]1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000075105492 563859940 /nfs/dbraw/zinc/85/99/40/563859940.db2.gz RNFHVDPZEWFFKE-AWEZNQCLSA-N 0 0 323.820 3.810 50 0 DHAARN CC1(C)Oc2ccc(NC(=O)c3ccc[nH]c3=S)cc2O1 ZINC000075120246 563860511 /nfs/dbraw/zinc/86/05/11/563860511.db2.gz KDYDPBNAXNSDIG-UHFFFAOYSA-N 0 0 302.355 3.504 50 0 DHAARN Cn1cccc1CN(Cc1cccs1)C(=O)[C@@H]1CC=CCC1 ZINC000075170189 563861138 /nfs/dbraw/zinc/86/11/38/563861138.db2.gz PWRHETKZBUGDFP-OAHLLOKOSA-N 0 0 314.454 3.972 50 0 DHAARN COc1ccc(C2(CNC(=O)[C@@H]3CC=CCC3)CCCC2)cc1 ZINC000075170137 563861295 /nfs/dbraw/zinc/86/12/95/563861295.db2.gz QYWZPEWVGZKVSJ-MRXNPFEDSA-N 0 0 313.441 3.980 50 0 DHAARN O=C(/C=C/c1ccccc1)Nc1cnc(Oc2ccccc2)nc1 ZINC000075172110 563861425 /nfs/dbraw/zinc/86/14/25/563861425.db2.gz NIKRVEKOCVBKJS-VAWYXSNFSA-N 0 0 317.348 3.921 50 0 DHAARN CC1=C(c2cnc(Cl)nc2)C(C)=C(Cl)NN=C1Cl ZINC000075284516 563862650 /nfs/dbraw/zinc/86/26/50/563862650.db2.gz VBJTVXKSNDCIJA-UHFFFAOYSA-N 0 0 303.580 3.529 50 0 DHAARN Cc1nc2cc(Cl)c(N3C(=O)C4=C(CCCC4)C3=O)cc2o1 ZINC000075279917 563862666 /nfs/dbraw/zinc/86/26/66/563862666.db2.gz OJDCRBYBUILXKZ-UHFFFAOYSA-N 0 0 316.744 3.533 50 0 DHAARN COC(=O)c1cc2ccccc2cc1Oc1nc(C)cc(C)n1 ZINC000075284378 563862690 /nfs/dbraw/zinc/86/26/90/563862690.db2.gz XAMHTYITXYLKGO-UHFFFAOYSA-N 0 0 308.337 3.826 50 0 DHAARN O=c1[nH]nc(-c2ccccc2)c2cn(-c3ccccc3Cl)nc21 ZINC000075284372 563862881 /nfs/dbraw/zinc/86/28/81/563862881.db2.gz IFOUACPAUJGXEH-UHFFFAOYSA-N 0 0 322.755 3.842 50 0 DHAARN COc1ccccc1Sc1ccccc1C[C@H](C)NC=O ZINC000075280222 563862912 /nfs/dbraw/zinc/86/29/12/563862912.db2.gz XNPYRVRVMWKRGC-ZDUSSCGKSA-N 0 0 301.411 3.523 50 0 DHAARN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccncc4)no3)n[nH]2)c1 ZINC000075351810 563863979 /nfs/dbraw/zinc/86/39/79/563863979.db2.gz DEKRYXQVBAYBNS-UHFFFAOYSA-N 0 0 317.352 3.806 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000075351695 563864209 /nfs/dbraw/zinc/86/42/09/563864209.db2.gz LXOFWIYHHDJHBH-UHFFFAOYSA-N 0 0 320.392 3.546 50 0 DHAARN CCOC(=O)c1cc(CP(=O)(OCC)OCC)oc1C ZINC000001823892 563882069 /nfs/dbraw/zinc/88/20/69/563882069.db2.gz RLAYAAHYUAADDB-UHFFFAOYSA-N 0 0 304.279 3.531 50 0 DHAARN CCN(C(=O)c1ccc(Br)c(F)c1)c1ccncc1 ZINC000117665794 563865770 /nfs/dbraw/zinc/86/57/70/563865770.db2.gz HNJSXGMREKARKW-UHFFFAOYSA-N 0 0 323.165 3.650 50 0 DHAARN CC(=O)O[C@@]1(c2ccc(C)cc2)CN2CC[C@H]1c1ccccc12 ZINC000000507058 563866013 /nfs/dbraw/zinc/86/60/13/563866013.db2.gz RWBAZXTVZIDBPZ-AZUAARDMSA-N 0 0 307.393 3.761 50 0 DHAARN Cc1nc(SCC(=O)NC2(c3ccccc3)CCC2)oc1C ZINC000053721006 563866050 /nfs/dbraw/zinc/86/60/50/563866050.db2.gz YNGDHTSZCGWUPN-UHFFFAOYSA-N 0 0 316.426 3.579 50 0 DHAARN CCc1ccc(CN(Cc2cccnc2)C(=O)NC2CC2)cc1 ZINC000053733492 563866344 /nfs/dbraw/zinc/86/63/44/563866344.db2.gz JONAPADUJIWFML-UHFFFAOYSA-N 0 0 309.413 3.518 50 0 DHAARN CCC(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12 ZINC000035399570 563866650 /nfs/dbraw/zinc/86/66/50/563866650.db2.gz MXMNHVILGYUSAT-UHFFFAOYSA-N 0 0 323.440 3.747 50 0 biogenic DHAARN CC(C)CC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399411 563866863 /nfs/dbraw/zinc/86/68/63/563866863.db2.gz WOBORDZYLHLOHV-UHFFFAOYSA-N 0 0 323.440 3.767 50 0 biogenic DHAARN CCCNC(=O)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430132 563867084 /nfs/dbraw/zinc/86/70/84/563867084.db2.gz NFPRASPABOQWNY-UHFFFAOYSA-N 0 0 324.359 3.652 50 0 DHAARN O=C(/C=C/c1cccs1)N1CCC(Oc2ccsc2)CC1 ZINC000575618210 563867342 /nfs/dbraw/zinc/86/73/42/563867342.db2.gz FKRCRWJNQSSNOA-ONEGZZNKSA-N 0 0 319.451 3.893 50 0 DHAARN Cc1cc2nc(CSc3cccc(Cl)c3)cc(=O)n2o1 ZINC000035447950 563867450 /nfs/dbraw/zinc/86/74/50/563867450.db2.gz YZCWPIRTHJBEFG-UHFFFAOYSA-N 0 0 306.774 3.542 50 0 DHAARN Cc1oncc1C(=O)N[C@@H](C)Cc1csc2ccccc12 ZINC000575621827 563868226 /nfs/dbraw/zinc/86/82/26/563868226.db2.gz VGJGKKFUETZLLN-JTQLQIEISA-N 0 0 300.383 3.559 50 0 DHAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCc2cnccc21 ZINC000118638021 563869993 /nfs/dbraw/zinc/86/99/93/563869993.db2.gz YLTOTBZNKJDXKW-UHFFFAOYSA-N 0 0 308.312 3.684 50 0 DHAARN FC(F)(F)[C@H](Cc1ccccc1)NC1Cc2ccccc2C1 ZINC000090456198 563870612 /nfs/dbraw/zinc/87/06/12/563870612.db2.gz LCKVAIDGYYJJJO-KRWDZBQOSA-N 0 0 305.343 3.917 50 0 DHAARN Cc1cc(C)c(NC(=O)c2cc(-c3ccncc3)[nH]n2)c(C)c1 ZINC000035507882 563870990 /nfs/dbraw/zinc/87/09/90/563870990.db2.gz MROVYHGXNJGLIV-UHFFFAOYSA-N 0 0 306.369 3.649 50 0 DHAARN CCOc1ccc2c(cc(C(=O)NCc3ccccc3C)n2C)c1 ZINC000035558630 563872218 /nfs/dbraw/zinc/87/22/18/563872218.db2.gz KXNUCKGFMIVYDW-UHFFFAOYSA-N 0 0 322.408 3.815 50 0 DHAARN COCc1ccccc1CNC(=O)NCCC1=CCCCC1 ZINC000012984903 563873345 /nfs/dbraw/zinc/87/33/45/563873345.db2.gz NAOFYFCWGKERFG-UHFFFAOYSA-N 0 0 302.418 3.523 50 0 DHAARN CCN(C(=O)c1cc(F)cc(Br)c1)c1cccnc1 ZINC000068303231 563874009 /nfs/dbraw/zinc/87/40/09/563874009.db2.gz BVBBTHOIAOIDEU-UHFFFAOYSA-N 0 0 323.165 3.650 50 0 DHAARN Cc1cc(C)cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 ZINC000012998580 563874403 /nfs/dbraw/zinc/87/44/03/563874403.db2.gz PWORCUSKUOKUOB-UHFFFAOYSA-N 0 0 322.408 3.678 50 0 DHAARN CC(=O)Nc1sc(-n2nc(C)cc2C)nc1-c1ccccc1 ZINC000035681835 563874437 /nfs/dbraw/zinc/87/44/37/563874437.db2.gz NQRLRXCVBRLNHT-UHFFFAOYSA-N 0 0 312.398 3.571 50 0 DHAARN O=C(Nc1cccc(C(F)F)c1)N1CCO[C@@H](c2ccco2)C1 ZINC000123338364 563874441 /nfs/dbraw/zinc/87/44/41/563874441.db2.gz LTLYXNVZRNEUFN-CQSZACIVSA-N 0 0 322.311 3.823 50 0 DHAARN Cc1ccc(CN(C)C(=O)c2cnn(-c3cccc(C)c3)c2C)o1 ZINC000013003242 563875038 /nfs/dbraw/zinc/87/50/38/563875038.db2.gz MKWHSDSBQFSTRH-UHFFFAOYSA-N 0 0 323.396 3.663 50 0 DHAARN O=C(CCc1ncc(-c2ccccc2)o1)NCCc1ccccc1 ZINC000013010993 563875607 /nfs/dbraw/zinc/87/56/07/563875607.db2.gz UVZWSLAWVSACJK-UHFFFAOYSA-N 0 0 320.392 3.633 50 0 DHAARN CC(C)c1nccn1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000123654605 563876180 /nfs/dbraw/zinc/87/61/80/563876180.db2.gz YADQMRXGBZICBK-UHFFFAOYSA-N 0 0 323.396 3.578 50 0 DHAARN COc1ccc(CNC(=O)c2ccc(-c3cccs3)nc2)cc1 ZINC000075502220 563877013 /nfs/dbraw/zinc/87/70/13/563877013.db2.gz QFBCFZYSHVPLDI-UHFFFAOYSA-N 0 0 324.405 3.749 50 0 DHAARN COC1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000053885844 563878116 /nfs/dbraw/zinc/87/81/16/563878116.db2.gz KOTVWAYXRNLHOL-UHFFFAOYSA-N 0 0 307.777 3.646 50 0 DHAARN 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/nfs/dbraw/zinc/92/90/89/563929089.db2.gz NPDFSLZJPCKIGE-UHFFFAOYSA-N 0 0 322.452 3.658 50 0 DHAARN O=C(COCC1CC1)Nc1cccc(C2SCCCS2)c1 ZINC000078797375 563929905 /nfs/dbraw/zinc/92/99/05/563929905.db2.gz RPQWIASPNWSTME-UHFFFAOYSA-N 0 0 323.483 3.920 50 0 DHAARN CC[C@@H](c1ccccc1)N(C)Cc1nc(-c2cccnc2)no1 ZINC000078716758 563929994 /nfs/dbraw/zinc/92/99/94/563929994.db2.gz BSSRQQAUMHWMTG-INIZCTEOSA-N 0 0 308.385 3.715 50 0 DHAARN Cc1cc([C@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)[nH]n1 ZINC000078902462 563930143 /nfs/dbraw/zinc/93/01/43/563930143.db2.gz GWIQZGRIQKPCJF-SJORKVTESA-N 0 0 323.440 3.544 50 0 DHAARN CC(C)n1ccc2cc(C(=O)NCCc3ccccn3)ccc21 ZINC000079482812 563930456 /nfs/dbraw/zinc/93/04/56/563930456.db2.gz GJVIJJFDNDTDQA-UHFFFAOYSA-N 0 0 307.397 3.590 50 0 DHAARN CC(C)CC(=O)Nc1ccc2c(c1)C(=O)Nc1cccnc1O2 ZINC000079495681 563930466 /nfs/dbraw/zinc/93/04/66/563930466.db2.gz ZMHJZYFGELWGTI-UHFFFAOYSA-N 0 0 311.341 3.808 50 0 DHAARN CCn1cc(NC(=O)c2cccc(-c3csc(C)n3)c2)cn1 ZINC000079537590 563930489 /nfs/dbraw/zinc/93/04/89/563930489.db2.gz TWJNGKWFGVHUGH-UHFFFAOYSA-N 0 0 312.398 3.587 50 0 DHAARN O=c1[nH]n(C2CCCC2)c2c1[C@@H](C(F)(F)F)SCC(=O)N2 ZINC000079490273 563930521 /nfs/dbraw/zinc/93/05/21/563930521.db2.gz ZKMXQPVZNRJUGP-VIFPVBQESA-N 0 0 321.324 3.642 50 0 DHAARN FC(F)(F)c1cc(N2CCC[C@@H](c3nccs3)C2)ccn1 ZINC000330031601 563930628 /nfs/dbraw/zinc/93/06/28/563930628.db2.gz ATGLKFAXRXARAV-SNVBAGLBSA-N 0 0 313.348 3.941 50 0 DHAARN O=C(/C=C/c1cccs1)NC1(c2cccs2)CCOCC1 ZINC000390828668 563930796 /nfs/dbraw/zinc/93/07/96/563930796.db2.gz STOFDABDGKJPBM-AATRIKPKSA-N 0 0 319.451 3.645 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827547 563930800 /nfs/dbraw/zinc/93/08/00/563930800.db2.gz ZDIDLXICNZTQKD-AWEZNQCLSA-N 0 0 318.423 3.934 50 0 DHAARN CC1(C(=O)NCc2nc(-c3ccccc3F)cs2)CCC1 ZINC000279110738 563930897 /nfs/dbraw/zinc/93/08/97/563930897.db2.gz WFNINHFXQKVYOV-UHFFFAOYSA-N 0 0 304.390 3.756 50 0 DHAARN Cc1ccc(C(=O)Nc2ccccc2O)cc1Br ZINC000080063713 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CC(/C=C/c1ccccc1)=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004186727 563945585 /nfs/dbraw/zinc/94/55/85/563945585.db2.gz OFFPXSVZSZHNOC-AHIWHZIBSA-N 0 0 304.393 3.996 50 0 DHAARN O=C([O-])c1cccc(C[NH+]2CC(Cc3ccccc3Cl)C2)c1 ZINC000263418573 563945688 /nfs/dbraw/zinc/94/56/88/563945688.db2.gz ODHXYMZRWKBQAP-UHFFFAOYSA-N 0 0 315.800 3.713 50 0 DHAARN Cc1c(Cl)cccc1S(=O)(=O)N(C)Cc1ccsc1 ZINC000032406877 563945792 /nfs/dbraw/zinc/94/57/92/563945792.db2.gz WLHVUGPADLXBSY-UHFFFAOYSA-N 0 0 315.847 3.531 50 0 DHAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](C)c3ccccc32)s1 ZINC000032444288 563945814 /nfs/dbraw/zinc/94/58/14/563945814.db2.gz RNEBDCJGYQCMNF-LLVKDONJSA-N 0 0 307.440 3.759 50 0 DHAARN CNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 ZINC000007986982 563945863 /nfs/dbraw/zinc/94/58/63/563945863.db2.gz IDCYJJCFDFVQNS-LBPRGKRZSA-N 0 0 323.421 3.523 50 0 DHAARN CCc1noc(C)c1C(=O)N[C@H]1CCSc2ccccc21 ZINC000007987960 563945873 /nfs/dbraw/zinc/94/58/73/563945873.db2.gz IYURGYIWFHZOLU-ZDUSSCGKSA-N 0 0 302.399 3.512 50 0 DHAARN COc1ccc(NC(=O)CNc2cc(F)ccc2C)cc1Cl ZINC000007986740 563945969 /nfs/dbraw/zinc/94/59/69/563945969.db2.gz IRPHIJVLIIBEAY-UHFFFAOYSA-N 0 0 322.767 3.847 50 0 DHAARN O=C(Nc1ccnn1C1CCCCC1)c1cnc2ccccc2n1 ZINC000007990912 563946194 /nfs/dbraw/zinc/94/61/94/563946194.db2.gz FQRYGXQXLUAZRA-UHFFFAOYSA-N 0 0 321.384 3.584 50 0 DHAARN COc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1ccc(C)cc1 ZINC000066407662 563946243 /nfs/dbraw/zinc/94/62/43/563946243.db2.gz AZZMRRCOWUJHMM-UHFFFAOYSA-N 0 0 321.380 3.954 50 0 DHAARN CSc1ncccc1C(=O)N1CCSc2ccccc21 ZINC000008076026 563946626 /nfs/dbraw/zinc/94/66/26/563946626.db2.gz DENPYXIHFQTTSJ-UHFFFAOYSA-N 0 0 302.424 3.556 50 0 DHAARN COC(=O)Nc1cc(NC(=O)c2c(F)cccc2F)ccc1F ZINC000066489041 563946675 /nfs/dbraw/zinc/94/66/75/563946675.db2.gz WWGRDKGNQMCHPQ-UHFFFAOYSA-N 0 0 324.258 3.535 50 0 DHAARN C[C@@H]1C[C@@H](Sc2nc3ccccc3n2-c2ccccc2)C(=O)O1 ZINC000008135342 563946745 /nfs/dbraw/zinc/94/67/45/563946745.db2.gz QFUITNJESBWXPH-MLGOLLRUSA-N 0 0 324.405 3.822 50 0 DHAARN CC(C)c1nnc(NC(=O)c2cccc(OC(F)F)c2)s1 ZINC000008117160 563946896 /nfs/dbraw/zinc/94/68/96/563946896.db2.gz DVRWAPYQBSUGEN-UHFFFAOYSA-N 0 0 313.329 3.515 50 0 DHAARN O=C(CCc1cccnc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008166075 563947007 /nfs/dbraw/zinc/94/70/07/563947007.db2.gz LVLYBYRQBQLTOC-UHFFFAOYSA-N 0 0 324.380 3.694 50 0 DHAARN CCCCOc1ccc(NC(=O)N2CCCO[C@H](C)C2)c(C)c1 ZINC000171257881 563947095 /nfs/dbraw/zinc/94/70/95/563947095.db2.gz NVTOFNYNXNIFJD-OAHLLOKOSA-N 0 0 320.433 3.817 50 0 DHAARN CCn1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000066613110 563947158 /nfs/dbraw/zinc/94/71/58/563947158.db2.gz FVNUZHFPZGVULH-UHFFFAOYSA-N 0 0 323.318 3.592 50 0 DHAARN COc1ccc(NC(=O)CNc2ccc(F)cc2C)cc1Cl ZINC000008232254 563947419 /nfs/dbraw/zinc/94/74/19/563947419.db2.gz ACSVDCYATCEKER-UHFFFAOYSA-N 0 0 322.767 3.847 50 0 DHAARN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1F ZINC000008267143 563947427 /nfs/dbraw/zinc/94/74/27/563947427.db2.gz UFXUJLFVHSBNKX-QWHCGFSZSA-N 0 0 324.827 3.930 50 0 DHAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccnc1 ZINC000008280158 563947493 /nfs/dbraw/zinc/94/74/93/563947493.db2.gz LPONAALLBRKCES-UHFFFAOYSA-N 0 0 320.377 3.710 50 0 DHAARN O=C(COC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1 ZINC000008288696 563947548 /nfs/dbraw/zinc/94/75/48/563947548.db2.gz SDVPJCSJOMDNPK-UHFFFAOYSA-N 0 0 317.344 3.788 50 0 DHAARN COc1ccc(C(=O)NCc2ccc(F)cc2)c2ccccc12 ZINC000008277485 563947576 /nfs/dbraw/zinc/94/75/76/563947576.db2.gz JBOQYRROVCECLW-UHFFFAOYSA-N 0 0 309.340 3.918 50 0 DHAARN Cc1ccc(NC(=O)CN(C)C(=O)CCC2CCCCC2)cc1 ZINC000008376095 563948031 /nfs/dbraw/zinc/94/80/31/563948031.db2.gz GYMUEQVYLAFSAG-UHFFFAOYSA-N 0 0 316.445 3.752 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)NCCc1ccccc1F ZINC000008404245 563948363 /nfs/dbraw/zinc/94/83/63/563948363.db2.gz YOUFETIVQNYXPP-UHFFFAOYSA-N 0 0 310.372 3.599 50 0 DHAARN CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000067056809 563948457 /nfs/dbraw/zinc/94/84/57/563948457.db2.gz IOXJOAVHNSSCJK-ROUUACIJSA-N 0 0 319.420 3.593 50 0 DHAARN COc1cccc2cc(C(=O)Nc3cccc(C)c3C)c(=N)oc21 ZINC000067190172 563948658 /nfs/dbraw/zinc/94/86/58/563948658.db2.gz CGXDAUDMZANZRM-UHFFFAOYSA-N 0 0 322.364 3.790 50 0 DHAARN CC(C)(C)c1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1 ZINC000008506923 563948746 /nfs/dbraw/zinc/94/87/46/563948746.db2.gz YGTUCCORWYOBOV-UHFFFAOYSA-N 0 0 310.372 3.881 50 0 DHAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2C)cc1C ZINC000067259716 563948747 /nfs/dbraw/zinc/94/87/47/563948747.db2.gz UZICYDWYXRGADC-UHFFFAOYSA-N 0 0 316.451 3.904 50 0 DHAARN O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000008519504 563948859 /nfs/dbraw/zinc/94/88/59/563948859.db2.gz GBZXPADEPWWEJQ-UHFFFAOYSA-N 0 0 305.299 3.904 50 0 DHAARN CNc1nnc(SCc2ncc(-c3cccs3)o2)s1 ZINC000171765288 563949047 /nfs/dbraw/zinc/94/90/47/563949047.db2.gz GGGXWYJHQFUXLZ-UHFFFAOYSA-N 0 0 310.429 3.589 50 0 DHAARN COc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=N)oc21 ZINC000067341959 563949221 /nfs/dbraw/zinc/94/92/21/563949221.db2.gz JFOXEQRZLOPUKN-UHFFFAOYSA-N 0 0 322.364 3.790 50 0 DHAARN O=C(CCc1cccnc1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000008705313 563949718 /nfs/dbraw/zinc/94/97/18/563949718.db2.gz POPTUGTZEQPRFM-UHFFFAOYSA-N 0 0 312.457 3.737 50 0 DHAARN COc1ccc(F)cc1CSc1nnc(NC(C)C)s1 ZINC000008734196 563950413 /nfs/dbraw/zinc/95/04/13/563950413.db2.gz GXAFUEUBCRUAII-UHFFFAOYSA-N 0 0 313.423 3.798 50 0 DHAARN O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2ccccc2S1 ZINC000008735248 563950426 /nfs/dbraw/zinc/95/04/26/563950426.db2.gz TWALVJJXQVIHJB-OAHLLOKOSA-N 0 0 303.814 3.673 50 0 DHAARN O=C(Nc1nccs1)c1occc1COc1ccccc1 ZINC000008734245 563950448 /nfs/dbraw/zinc/95/04/48/563950448.db2.gz OKKSLVIZIXAMRU-UHFFFAOYSA-N 0 0 300.339 3.567 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)nc(Cl)n1 ZINC000008754460 563950627 /nfs/dbraw/zinc/95/06/27/563950627.db2.gz ZHWGURVXRALGKV-UHFFFAOYSA-N 0 0 302.548 3.689 50 0 DHAARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000008752007 563950672 /nfs/dbraw/zinc/95/06/72/563950672.db2.gz SXJPWQNAJNDGIB-GFCCVEGCSA-N 0 0 309.344 3.707 50 0 DHAARN CC[C@H](c1nnc(NC(=O)c2ccco2)s1)c1ccccc1 ZINC000008766825 563950747 /nfs/dbraw/zinc/95/07/47/563950747.db2.gz RQJHXIUERPEMPR-LBPRGKRZSA-N 0 0 313.382 3.925 50 0 DHAARN CC[C@@H](Nc1ccc(C(C)C)cc1)C(=O)Nc1cc(C)on1 ZINC000008780300 563950821 /nfs/dbraw/zinc/95/08/21/563950821.db2.gz OYJQHANHGALEOJ-OAHLLOKOSA-N 0 0 301.390 3.936 50 0 DHAARN Cc1ccc2oc(C(=O)Nc3ccc(OC(F)F)cc3)cc2n1 ZINC000008798725 563950922 /nfs/dbraw/zinc/95/09/22/563950922.db2.gz JYJSXFLHLFPETN-UHFFFAOYSA-N 0 0 318.279 3.990 50 0 DHAARN CC(C)[C@H](NC(=O)CC1CCCCC1)c1nc(C2CC2)no1 ZINC000068051024 563950932 /nfs/dbraw/zinc/95/09/32/563950932.db2.gz ZNHDTXDKDMOIBS-HNNXBMFYSA-N 0 0 305.422 3.731 50 0 DHAARN CC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2C)nc1-c1ccccc1 ZINC000008852507 563950958 /nfs/dbraw/zinc/95/09/58/563950958.db2.gz CFYRWCDKEXWUSO-CABZTGNLSA-N 0 0 300.383 3.607 50 0 DHAARN CC[C@@H](C)NC(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000068558208 563951088 /nfs/dbraw/zinc/95/10/88/563951088.db2.gz PSBZDXFKWGCKQH-CQSZACIVSA-N 0 0 308.422 3.548 50 0 DHAARN Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2C)cc1 ZINC000008916631 563951324 /nfs/dbraw/zinc/95/13/24/563951324.db2.gz RVFQQPDMUCYTDS-QGZVFWFLSA-N 0 0 319.360 3.585 50 0 DHAARN CSc1nc(C(=O)Nc2ccc(C)c(C)c2)c2ccccn12 ZINC000040157946 563951766 /nfs/dbraw/zinc/95/17/66/563951766.db2.gz IPJWRSNVNMJWRW-UHFFFAOYSA-N 0 0 311.410 3.925 50 0 DHAARN O=C(NCCCc1cnoc1)c1ccc(-c2cccs2)cc1 ZINC000244970192 563951898 /nfs/dbraw/zinc/95/18/98/563951898.db2.gz HNPFUSBAEPOBKP-UHFFFAOYSA-N 0 0 312.394 3.766 50 0 DHAARN COC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000009059635 563952031 /nfs/dbraw/zinc/95/20/31/563952031.db2.gz HXJZFAMIDXBUII-UHFFFAOYSA-N 0 0 300.745 3.530 50 0 DHAARN Cc1nc(CSCC(=O)Nc2cccc(Cl)c2)cs1 ZINC000009040146 563952120 /nfs/dbraw/zinc/95/21/20/563952120.db2.gz SCNMVTFPSINFJT-UHFFFAOYSA-N 0 0 312.847 3.977 50 0 DHAARN COc1ccccc1NC(=O)CCSCc1csc(C)n1 ZINC000009065764 563952224 /nfs/dbraw/zinc/95/22/24/563952224.db2.gz LHHZRRVYWILDLJ-UHFFFAOYSA-N 0 0 322.455 3.722 50 0 DHAARN CC[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C)on1 ZINC000009112498 563952537 /nfs/dbraw/zinc/95/25/37/563952537.db2.gz WQMHQQJIUCXKAD-LLVKDONJSA-N 0 0 312.728 3.572 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)c2cccc3c2ccn3C)cc1 ZINC000069386442 563952583 /nfs/dbraw/zinc/95/25/83/563952583.db2.gz XZQIRKYSJGQESB-UHFFFAOYSA-N 0 0 321.380 3.779 50 0 DHAARN CC(C)c1ccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 ZINC000069390566 563952681 /nfs/dbraw/zinc/95/26/81/563952681.db2.gz FRWQCWYPEJPQIT-UHFFFAOYSA-N 0 0 314.429 3.907 50 0 DHAARN CO[C@H]1CCCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000069464773 563953072 /nfs/dbraw/zinc/95/30/72/563953072.db2.gz YRFCJXIOCXZKLF-NSHDSACASA-N 0 0 316.373 3.644 50 0 DHAARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCc1ccsc1 ZINC000069456665 563953078 /nfs/dbraw/zinc/95/30/78/563953078.db2.gz PGOSKDXYAJXWLF-UHFFFAOYSA-N 0 0 324.352 3.556 50 0 DHAARN Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 ZINC000009136857 563953339 /nfs/dbraw/zinc/95/33/39/563953339.db2.gz GALQEAVKZBCPIK-UHFFFAOYSA-N 0 0 309.394 3.690 50 0 DHAARN Cc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)c1ccco1 ZINC000069533370 563953351 /nfs/dbraw/zinc/95/33/51/563953351.db2.gz USALSCISCPVDLZ-CQSZACIVSA-N 0 0 311.385 3.965 50 0 DHAARN CC(C)c1nc(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000069537352 563953386 /nfs/dbraw/zinc/95/33/86/563953386.db2.gz JWPGUPSNEMBXLI-JKSUJKDBSA-N 0 0 314.454 3.729 50 0 DHAARN CCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000009135394 563953464 /nfs/dbraw/zinc/95/34/64/563953464.db2.gz XJZOVGBFNGZRTD-UHFFFAOYSA-N 0 0 310.353 3.726 50 0 DHAARN Cc1nc(-c2ccccc2O)n(-c2nc3ccccc3s2)n1 ZINC000009142720 563953504 /nfs/dbraw/zinc/95/35/04/563953504.db2.gz VWSAPXWYBPCIGD-UHFFFAOYSA-N 0 0 308.366 3.558 50 0 DHAARN Cc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)o2)n1 ZINC000069560651 563953540 /nfs/dbraw/zinc/95/35/40/563953540.db2.gz ZFLOXPBNHCOYSZ-SSDOTTSWSA-N 0 0 322.777 3.935 50 0 DHAARN C[C@@H](C1CC1)N(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000069597120 563953824 /nfs/dbraw/zinc/95/38/24/563953824.db2.gz UGGJVYGCZRHYFR-NSHDSACASA-N 0 0 318.417 3.744 50 0 DHAARN Cc1nc(CN2CCC[C@H]2c2ccccc2C(F)(F)F)no1 ZINC000069621723 563953920 /nfs/dbraw/zinc/95/39/20/563953920.db2.gz PBRHANBBMTYXEM-ZDUSSCGKSA-N 0 0 311.307 3.734 50 0 DHAARN C[C@H](NC(=O)N(CC1CC1)C1CCCCC1)c1ccncc1 ZINC000069666057 563954095 /nfs/dbraw/zinc/95/40/95/563954095.db2.gz GYHZLMJWIIHMDP-AWEZNQCLSA-N 0 0 301.434 3.897 50 0 DHAARN COc1cccc(Nc2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)c1 ZINC000009224715 563954107 /nfs/dbraw/zinc/95/41/07/563954107.db2.gz AJTVUBWXMKACPY-UHFFFAOYSA-N 0 0 321.376 3.627 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)c1 ZINC000069697673 563954116 /nfs/dbraw/zinc/95/41/16/563954116.db2.gz MCSZOMYKVOJNAK-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN O=C(NCc1ccsc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000069703571 563954422 /nfs/dbraw/zinc/95/44/22/563954422.db2.gz HZVKQDKNLDGKFW-KRWDZBQOSA-N 0 0 323.421 3.732 50 0 DHAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1Cl ZINC000069773809 563954500 /nfs/dbraw/zinc/95/45/00/563954500.db2.gz LYMVNWQXYKGJFK-UHFFFAOYSA-N 0 0 317.772 3.731 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180756243 /nfs/dbraw/zinc/75/62/43/180756243.db2.gz VCTQSNZPKYVLNJ-UHFFFAOYSA-N 0 0 317.344 3.515 50 0 DHAARN CCOc1ccccc1/C=C1\N=C(c2ccccc2F)OC1=O ZINC000000301769 180752393 /nfs/dbraw/zinc/75/23/93/180752393.db2.gz JNFLOIFFVXOPLH-PTNGSMBKSA-N 0 0 311.312 3.569 50 0 DHAARN O=C(Nc1ccc(Br)c(Cl)c1)C(F)(F)F ZINC000000306051 180753584 /nfs/dbraw/zinc/75/35/84/180753584.db2.gz GKJHNWUXDCGTDX-UHFFFAOYSA-N 0 0 302.477 3.603 50 0 DHAARN NC(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000000371482 180769338 /nfs/dbraw/zinc/76/93/38/180769338.db2.gz CUXTYQZESAYTGP-UHFFFAOYSA-N 0 0 305.337 3.583 50 0 DHAARN Nc1c2cc3c(nc2sc1-c1nc2ccccc2[nH]1)CCC3 ZINC000000377798 180771185 /nfs/dbraw/zinc/77/11/85/180771185.db2.gz BZLNIOQMSNNBHS-UHFFFAOYSA-N 0 0 306.394 3.911 50 0 DHAARN CCOC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000000348006 180763726 /nfs/dbraw/zinc/76/37/26/180763726.db2.gz XHXKEAFSADRBAM-UHFFFAOYSA-N 0 0 306.365 3.775 50 0 DHAARN Clc1ccccc1[C@H]1C[C@@H](c2ccco2)n2ncnc2N1 ZINC000000350193 180764222 /nfs/dbraw/zinc/76/42/22/180764222.db2.gz MLMQEBHBKVYIKT-OLZOCXBDSA-N 0 0 300.749 3.671 50 0 DHAARN CCOC(=O)CC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000000393272 180775772 /nfs/dbraw/zinc/77/57/72/180775772.db2.gz IKZNGUNYGHRJOE-UHFFFAOYSA-N 0 0 314.381 3.789 50 0 DHAARN CNC(=O)c1cccc2c1[C@H](C(=O)C(C)(C)C)c1ccccc1-2 ZINC000000398928 180777418 /nfs/dbraw/zinc/77/74/18/180777418.db2.gz XVGZHSLXVPXXGM-QGZVFWFLSA-N 0 0 307.393 3.774 50 0 DHAARN CCOC(=O)c1c(C=O)c2ccccc2n1Cc1ccccc1 ZINC000000429891 180788689 /nfs/dbraw/zinc/78/86/89/180788689.db2.gz KTFYUNJUAAVFHQ-UHFFFAOYSA-N 0 0 307.349 3.679 50 0 DHAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000000433794 180789707 /nfs/dbraw/zinc/78/97/07/180789707.db2.gz RLDCLNPHDJJBGL-LFYBBSHMSA-N 0 0 308.381 3.561 50 0 DHAARN COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC2 ZINC000000439539 180791101 /nfs/dbraw/zinc/79/11/01/180791101.db2.gz BACDCFIUEPUECQ-FXAWDEMLSA-N 0 0 320.392 3.565 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl 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CCc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 ZINC000000527129 180813644 /nfs/dbraw/zinc/81/36/44/180813644.db2.gz YWICXDCTIYFNJX-SJORKVTESA-N 0 0 319.412 3.569 50 0 DHAARN CC[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000000550531 180819682 /nfs/dbraw/zinc/81/96/82/180819682.db2.gz KPEFQVIPCHSNMJ-HNNXBMFYSA-N 0 0 314.410 3.794 50 0 DHAARN Cc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)c(C)c1 ZINC000000582471 180826788 /nfs/dbraw/zinc/82/67/88/180826788.db2.gz VZEALTBHLUOGMU-UHFFFAOYSA-N 0 0 303.427 3.578 50 0 DHAARN CC(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000000608541 180826996 /nfs/dbraw/zinc/82/69/96/180826996.db2.gz NEISJQVSFGMVLZ-QGZVFWFLSA-N 0 0 309.365 3.530 50 0 DHAARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000000611849 180828613 /nfs/dbraw/zinc/82/86/13/180828613.db2.gz DALMBCMCXHBFKE-GFCCVEGCSA-N 0 0 317.772 3.831 50 0 DHAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000000570054 180823958 /nfs/dbraw/zinc/82/39/58/180823958.db2.gz RCLFLJSSFWROMF-UHFFFAOYSA-N 0 0 324.424 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S=C(NC[C@H]1CCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000002642884 180942698 /nfs/dbraw/zinc/94/26/98/180942698.db2.gz NCQQPRVVTMDYMC-MRXNPFEDSA-N 0 0 324.449 3.723 50 0 DHAARN CCCCNC(=O)Nc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000002657880 180945333 /nfs/dbraw/zinc/94/53/33/180945333.db2.gz HICVVYRXXOWABK-UHFFFAOYSA-N 0 0 304.369 3.550 50 0 DHAARN CCC(=O)Nc1ccc(-c2csc(N[C@H](C)COC)n2)cc1 ZINC000002631845 180941595 /nfs/dbraw/zinc/94/15/95/180941595.db2.gz LCPSUEQBAGKUQA-LLVKDONJSA-N 0 0 319.430 3.605 50 0 DHAARN CCc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)cc1 ZINC000002713334 180948436 /nfs/dbraw/zinc/94/84/36/180948436.db2.gz AKLCXEZHTYBKNZ-UHFFFAOYSA-N 0 0 324.359 3.530 50 0 DHAARN Cc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 ZINC000002739626 180950872 /nfs/dbraw/zinc/95/08/72/180950872.db2.gz KJGUNRCZDDPRTA-UHFFFAOYSA-N 0 0 323.318 3.726 50 0 DHAARN CCCOc1c(Br)cc(Br)cc1C=O ZINC000002759921 180952588 /nfs/dbraw/zinc/95/25/88/180952588.db2.gz PVQDISBTCKQRMH-UHFFFAOYSA-N 0 0 321.996 3.813 50 0 DHAARN CCCCOc1cc(Br)c(C=O)cc1OCC ZINC000002767648 180954011 /nfs/dbraw/zinc/95/40/11/180954011.db2.gz HOBPRODZFPQTIG-UHFFFAOYSA-N 0 0 301.180 3.839 50 0 DHAARN COc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C)c1 ZINC000002853327 180963596 /nfs/dbraw/zinc/96/35/96/180963596.db2.gz GFDJGAQHEJIYJP-UHFFFAOYSA-N 0 0 316.357 3.665 50 0 DHAARN Cc1ccc(CONC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000002791317 180958132 /nfs/dbraw/zinc/95/81/32/180958132.db2.gz YKWXBHKKYFJZMK-UHFFFAOYSA-N 0 0 308.337 3.512 50 0 DHAARN Cc1c(Cl)c(-c2nnc(Cc3ccc(Cl)cc3)o2)nn1C ZINC000002804478 180959912 /nfs/dbraw/zinc/95/99/12/180959912.db2.gz UYQIBTVYLWHIBH-UHFFFAOYSA-N 0 0 323.183 3.676 50 0 DHAARN CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccco2)cc1 ZINC000002812076 180960309 /nfs/dbraw/zinc/96/03/09/180960309.db2.gz ZMCFYSTUKRHWNB-ZHACJKMWSA-N 0 0 313.397 3.786 50 0 DHAARN CC[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000002994022 180975459 /nfs/dbraw/zinc/97/54/59/180975459.db2.gz BXRMUOJFVNNURK-VHSXEESVSA-N 0 0 304.217 3.923 50 0 DHAARN C[C@H]1Cc2nc(NC(=O)C=Cc3ccccc3)sc2C(=O)C1 ZINC000003135693 180985132 /nfs/dbraw/zinc/98/51/32/180985132.db2.gz BECDVWHGKFPJNO-AEZGRPFRSA-N 0 0 312.394 3.560 50 0 DHAARN CCCOC(=O)N[C@@H](CC)COC(=O)Nc1cc(C)ccc1C ZINC000003150025 180986386 /nfs/dbraw/zinc/98/63/86/180986386.db2.gz JMVOIDZSLXBYCT-AWEZNQCLSA-N 0 0 322.405 3.767 50 0 DHAARN C[C@H](Cc1cccs1)NC(=O)COc1ccc(Cl)cc1 ZINC000003211557 180992406 /nfs/dbraw/zinc/99/24/06/180992406.db2.gz SDEDOVOABWMCIK-LLVKDONJSA-N 0 0 309.818 3.528 50 0 DHAARN COc1ccc(NC(=O)COC(=O)CCC2CCCCC2)cc1 ZINC000003253750 180996772 /nfs/dbraw/zinc/99/67/72/180996772.db2.gz VTADGPIPHSCTQE-UHFFFAOYSA-N 0 0 319.401 3.537 50 0 DHAARN Cc1noc(C)c1COC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003318084 181004323 /nfs/dbraw/zinc/00/43/23/181004323.db2.gz YSDVPPYKJWSELM-UHFFFAOYSA-N 0 0 300.141 3.955 50 0 DHAARN O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000003328971 181006123 /nfs/dbraw/zinc/00/61/23/181006123.db2.gz PSLFGAFTYICAOX-UHFFFAOYSA-N 0 0 321.156 3.900 50 0 DHAARN Cc1ccc(C)c(OC(=O)c2cc(=O)c3ccccc3o2)c1C ZINC000003281650 181000077 /nfs/dbraw/zinc/00/00/77/181000077.db2.gz VNPJKODCTQWIIU-UHFFFAOYSA-N 0 0 308.333 3.937 50 0 DHAARN O=C(Cc1ccsc1)Nc1ccc(Br)cc1F ZINC000003284093 181000387 /nfs/dbraw/zinc/00/03/87/181000387.db2.gz LOZREBNAVLJMHC-UHFFFAOYSA-N 0 0 314.179 3.831 50 0 DHAARN COc1ccc(CC(=O)Oc2ccc(Cl)cc2C(C)=O)cc1 ZINC000003288567 181000958 /nfs/dbraw/zinc/00/09/58/181000958.db2.gz LPDOJCHXBRZVCJ-UHFFFAOYSA-N 0 0 318.756 3.699 50 0 DHAARN O=C(OCc1ccc(Br)cc1)c1ccccc1O ZINC000003294958 181001629 /nfs/dbraw/zinc/00/16/29/181001629.db2.gz CFRXPMSUVFUNGV-UHFFFAOYSA-N 0 0 307.143 3.512 50 0 DHAARN CSc1ncccc1C(=O)Nc1nc2c(cccc2C)s1 ZINC000003366643 181012284 /nfs/dbraw/zinc/01/22/84/181012284.db2.gz LJSXONLFGHBGJR-UHFFFAOYSA-N 0 0 315.423 3.974 50 0 DHAARN O=C1c2ccccc2C(=O)N1Cc1csc(-c2ccccc2)n1 ZINC000003330300 181007032 /nfs/dbraw/zinc/00/70/32/181007032.db2.gz UWKFUZQJQBBTIC-UHFFFAOYSA-N 0 0 320.373 3.606 50 0 DHAARN C[C@H](NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000003332743 181007065 /nfs/dbraw/zinc/00/70/65/181007065.db2.gz OFBJAGWIGNWIDQ-AWEZNQCLSA-N 0 0 316.832 3.649 50 0 DHAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1 ZINC000003353383 181010638 /nfs/dbraw/zinc/01/06/38/181010638.db2.gz OXWACPHCWQPXQX-LLVKDONJSA-N 0 0 308.834 3.861 50 0 DHAARN C[C@H]1C[C@H](C)CN(CC(=O)c2ccccc2Br)C1 ZINC000003356251 181011206 /nfs/dbraw/zinc/01/12/06/181011206.db2.gz GUZIGOXEYHEGPJ-RYUDHWBXSA-N 0 0 310.235 3.610 50 0 DHAARN COc1ccc2c(CC(=O)NC3CCCCCC3)coc2c1 ZINC000003359675 181011264 /nfs/dbraw/zinc/01/12/64/181011264.db2.gz WADVZALESXZUKZ-UHFFFAOYSA-N 0 0 301.386 3.823 50 0 DHAARN C[C@@H](NC(=O)COC(=O)CCC1CCCCC1)c1ccccc1 ZINC000003361623 181011660 /nfs/dbraw/zinc/01/16/60/181011660.db2.gz JCVLFRKXSJQDFY-OAHLLOKOSA-N 0 0 317.429 3.768 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)oc2=O)cc1C ZINC000003399266 181015204 /nfs/dbraw/zinc/01/52/04/181015204.db2.gz ONTRXNMOPJVICJ-UHFFFAOYSA-N 0 0 311.259 3.528 50 0 DHAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(C)c2C)cc1 ZINC000003415530 181017188 /nfs/dbraw/zinc/01/71/88/181017188.db2.gz FZHBMPAYXIUXQG-HNNXBMFYSA-N 0 0 311.381 3.796 50 0 DHAARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(F)cc(F)c1 ZINC000003430508 181018829 /nfs/dbraw/zinc/01/88/29/181018829.db2.gz JDFJZKPZVSNFJJ-UHFFFAOYSA-N 0 0 308.284 3.966 50 0 DHAARN Cc1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000003443769 181020373 /nfs/dbraw/zinc/02/03/73/181020373.db2.gz BUARKXPGXVBVCR-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN CC[C@@H](C(=O)OCC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000003446613 181020969 /nfs/dbraw/zinc/02/09/69/181020969.db2.gz JXZJXKWEXYIUJY-QGZVFWFLSA-N 0 0 311.381 3.671 50 0 DHAARN Cc1cc(C)c(NS(=O)(=O)c2cccs2)c(Cl)c1 ZINC000003447354 181021666 /nfs/dbraw/zinc/02/16/66/181021666.db2.gz YURKKAFSNVCNHM-UHFFFAOYSA-N 0 0 301.820 3.819 50 0 DHAARN c1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1 ZINC000003532144 181030707 /nfs/dbraw/zinc/03/07/07/181030707.db2.gz DLZGEUYROQVMJV-GFCCVEGCSA-N 0 0 307.444 3.943 50 0 DHAARN Cc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1C ZINC000003456155 181022961 /nfs/dbraw/zinc/02/29/61/181022961.db2.gz CHEHTCYAOXVYIQ-UHFFFAOYSA-N 0 0 300.427 3.820 50 0 DHAARN CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000003536517 181031098 /nfs/dbraw/zinc/03/10/98/181031098.db2.gz JHNVQMFVQLRTAE-UHFFFAOYSA-N 0 0 300.358 3.637 50 0 DHAARN O=C(COc1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1 ZINC000003494351 181026599 /nfs/dbraw/zinc/02/65/99/181026599.db2.gz SPMOJKJKBSRXGV-UHFFFAOYSA-N 0 0 301.773 3.846 50 0 DHAARN CC(=O)c1cccc(NC(=O)COc2cc(C)ccc2Cl)c1 ZINC000003494271 181026630 /nfs/dbraw/zinc/02/66/30/181026630.db2.gz PKNLUBVIMHDDFR-UHFFFAOYSA-N 0 0 317.772 3.869 50 0 DHAARN C/C=C/C=C/C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000003501068 181026985 /nfs/dbraw/zinc/02/69/85/181026985.db2.gz FKBLMGQYNHIZEU-YTXTXJHMSA-N 0 0 307.777 3.571 50 0 DHAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc(C)ccc1C ZINC000003545655 181032324 /nfs/dbraw/zinc/03/23/24/181032324.db2.gz RGQQXHWUJISZSS-UNOMPAQXSA-N 0 0 323.392 3.524 50 0 DHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000003553650 181033350 /nfs/dbraw/zinc/03/33/50/181033350.db2.gz IVSAWYWFELUEKC-SCLBCKFNSA-N 0 0 311.381 3.979 50 0 DHAARN CCCCCc1nnc(NC(=O)Cc2ccccc2F)s1 ZINC000003557761 181034471 /nfs/dbraw/zinc/03/44/71/181034471.db2.gz WGLCAUFFSZLHSW-UHFFFAOYSA-N 0 0 307.394 3.591 50 0 DHAARN Cc1cccc(Nc2nnc(S[C@H]3CCCC3=O)s2)c1 ZINC000003561308 181034714 /nfs/dbraw/zinc/03/47/14/181034714.db2.gz LWQPLUPTRGQIGX-LBPRGKRZSA-N 0 0 305.428 3.804 50 0 DHAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cccs1 ZINC000003557923 181034729 /nfs/dbraw/zinc/03/47/29/181034729.db2.gz JMVHOBFXBJASFC-UHFFFAOYSA-N 0 0 300.210 3.914 50 0 DHAARN Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)c(C)c1 ZINC000003635905 181042721 /nfs/dbraw/zinc/04/27/21/181042721.db2.gz YHBAVZFXXPGNOE-HNNXBMFYSA-N 0 0 312.394 3.941 50 0 DHAARN O=C(COc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000003606601 181039490 /nfs/dbraw/zinc/03/94/90/181039490.db2.gz BLHSYVWBWBOXLS-UHFFFAOYSA-N 0 0 310.180 3.689 50 0 DHAARN Cc1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1C ZINC000003607396 181040274 /nfs/dbraw/zinc/04/02/74/181040274.db2.gz KMOKWHFOVHUDBE-UHFFFAOYSA-N 0 0 303.789 3.652 50 0 DHAARN O=C1c2ccccc2C(=O)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000003900088 181055222 /nfs/dbraw/zinc/05/52/22/181055222.db2.gz PONSGYSOKDQZOR-UHFFFAOYSA-N 0 0 309.409 3.889 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000003908475 181056553 /nfs/dbraw/zinc/05/65/53/181056553.db2.gz GQEKVRJXSMAGMT-UHFFFAOYSA-N 0 0 312.350 3.858 50 0 DHAARN CCc1ccc(NC(=O)c2cc(-c3ccc(O)cc3)on2)cc1 ZINC000003907780 181056574 /nfs/dbraw/zinc/05/65/74/181056574.db2.gz ZXCRGTWZFABLQM-UHFFFAOYSA-N 0 0 308.337 3.862 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)on2)cc1 ZINC000003908576 181056633 /nfs/dbraw/zinc/05/66/33/181056633.db2.gz QHNCCOUVHOHRRU-UHFFFAOYSA-N 0 0 322.320 3.502 50 0 DHAARN Cc1ccc(NC(=O)c2cc(-c3ccc(O)cc3)on2)cc1C ZINC000003907785 181056719 /nfs/dbraw/zinc/05/67/19/181056719.db2.gz VHJDBPTUPPJQBN-UHFFFAOYSA-N 0 0 308.337 3.916 50 0 DHAARN Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000003815034 181047341 /nfs/dbraw/zinc/04/73/41/181047341.db2.gz IZQHULBHKPGOAP-UHFFFAOYSA-N 0 0 315.174 3.718 50 0 in-vivo DHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](CCc3ccccc3)[C@@H]1[C@H]2C ZINC000004026428 181063447 /nfs/dbraw/zinc/06/34/47/181063447.db2.gz XWHWCKHMKQSYBV-HHUCQEJWSA-N 0 0 300.442 3.845 50 0 biogenic DHAARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)C1CCCCC1 ZINC000004032999 181065465 /nfs/dbraw/zinc/06/54/65/181065465.db2.gz ANCMCCUEQBXHJI-UHFFFAOYSA-N 0 0 320.396 3.915 50 0 DHAARN CC(C)c1cc(C[NH+]2CCC(C(=O)[O-])CC2)cc(C(C)C)c1O ZINC000004038419 181065621 /nfs/dbraw/zinc/06/56/21/181065621.db2.gz ZDWFKVOCKKVZCL-UHFFFAOYSA-N 0 0 319.445 3.936 50 0 DHAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc2ncsc2c1 ZINC000004088353 181071148 /nfs/dbraw/zinc/07/11/48/181071148.db2.gz OXKQHTUQCDQRBK-UHFFFAOYSA-N 0 0 315.423 3.884 50 0 DHAARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C)cc1 ZINC000004084563 181071229 /nfs/dbraw/zinc/07/12/29/181071229.db2.gz ZNOLUZGIEMZHPC-UHFFFAOYSA-N 0 0 323.392 3.681 50 0 biogenic DHAARN O=C(/C=C/c1ccc(OCCCF)cc1)NCc1cccs1 ZINC000004085287 181071388 /nfs/dbraw/zinc/07/13/88/181071388.db2.gz XLMATYIQCVWDOK-RMKNXTFCSA-N 0 0 319.401 3.816 50 0 DHAARN Cc1ccccc1-n1nc2c(c1NC(=O)CC(C)C)CSC2 ZINC000004088680 181072233 /nfs/dbraw/zinc/07/22/33/181072233.db2.gz BJQXEZPNSZKOST-UHFFFAOYSA-N 0 0 315.442 3.912 50 0 DHAARN Cc1sc2ncnc(S[C@H](C)C(=O)OC(C)C)c2c1C ZINC000004056278 181067576 /nfs/dbraw/zinc/06/75/76/181067576.db2.gz QKRAGBYPXNTQRQ-SNVBAGLBSA-N 0 0 310.444 3.740 50 0 DHAARN CCn1cc(SCC(=O)NC2CCCC2)c2ccccc21 ZINC000004060572 181067993 /nfs/dbraw/zinc/06/79/93/181067993.db2.gz CVECZZNGKUMJKT-UHFFFAOYSA-N 0 0 302.443 3.812 50 0 DHAARN Fc1ccc2nc(Nc3ccc4c(c3)OCCO4)sc2c1 ZINC000004061304 181068042 /nfs/dbraw/zinc/06/80/42/181068042.db2.gz ITSODNMPRORKPS-UHFFFAOYSA-N 0 0 302.330 3.950 50 0 DHAARN O=C(COc1ccc(Oc2ccccc2)cc1)NCc1ccco1 ZINC000004070105 181068460 /nfs/dbraw/zinc/06/84/60/181068460.db2.gz JRQOOXIDIXENIO-UHFFFAOYSA-N 0 0 323.348 3.767 50 0 DHAARN O=C1c2ccccc2[C@@H]2c3cc(Cl)cc(Cl)c3OCN12 ZINC000004110060 181074638 /nfs/dbraw/zinc/07/46/38/181074638.db2.gz YYZAFCCJZYEKGT-CYBMUJFWSA-N 0 0 306.148 3.889 50 0 DHAARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)C1CCCCC1 ZINC000004072306 181069587 /nfs/dbraw/zinc/06/95/87/181069587.db2.gz WNOLQDNADJRRTG-UHFFFAOYSA-N 0 0 305.378 3.863 50 0 DHAARN Cc1ncoc1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000004148041 181079114 /nfs/dbraw/zinc/07/91/14/181079114.db2.gz VLWCFQHPELTTPN-UHFFFAOYSA-N 0 0 320.392 3.935 50 0 DHAARN O=C(Nc1cccc2ncccc21)c1cc2ccccc2oc1=O ZINC000004156577 181079722 /nfs/dbraw/zinc/07/97/22/181079722.db2.gz GXCMITGYWOZJFA-UHFFFAOYSA-N 0 0 316.316 3.594 50 0 DHAARN CCOc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000004163660 181079978 /nfs/dbraw/zinc/07/99/78/181079978.db2.gz AHBAYDWSLQAXOW-UHFFFAOYSA-N 0 0 322.364 3.696 50 0 DHAARN COc1ccc(C(=O)CSc2ncnc3ccccc32)cc1 ZINC000004162994 181080270 /nfs/dbraw/zinc/08/02/70/181080270.db2.gz GIFLZYQKPKNUHC-UHFFFAOYSA-N 0 0 310.378 3.613 50 0 DHAARN CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc21)c1ccccc1 ZINC000004163617 181080421 /nfs/dbraw/zinc/08/04/21/181080421.db2.gz OFQWTWXKSDVBLL-UHFFFAOYSA-N 0 0 306.365 3.712 50 0 DHAARN Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1 ZINC000004225239 181086396 /nfs/dbraw/zinc/08/63/96/181086396.db2.gz RGLYMPLFGXBJTC-AWEZNQCLSA-N 0 0 305.381 3.700 50 0 DHAARN Brc1cccc(-c2nnc(-c3ccccc3)[nH]2)c1 ZINC000004258650 181089631 /nfs/dbraw/zinc/08/96/31/181089631.db2.gz VRYXFIVTOLEXJZ-UHFFFAOYSA-N 0 0 300.159 3.901 50 0 DHAARN O=C(Nc1nnc(-c2ccncc2)o1)c1ccc2ccccc2c1 ZINC000004265073 181090131 /nfs/dbraw/zinc/09/01/31/181090131.db2.gz ZXZRLLLGMUSORB-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN CCc1ccc2nc(N(Cc3cccnc3)C(C)=O)sc2c1 ZINC000004273205 181090574 /nfs/dbraw/zinc/09/05/74/181090574.db2.gz KQCDONMIBCNESQ-UHFFFAOYSA-N 0 0 311.410 3.807 50 0 DHAARN CC(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000004273197 181090923 /nfs/dbraw/zinc/09/09/23/181090923.db2.gz IZFZFVJGUPZJDA-UHFFFAOYSA-N 0 0 317.801 3.898 50 0 DHAARN CCOc1ccc(-c2nc(NC(=O)C3CC3)sc2C)cc1 ZINC000004279321 181091578 /nfs/dbraw/zinc/09/15/78/181091578.db2.gz PCFGZWXXCQPPHZ-UHFFFAOYSA-N 0 0 302.399 3.866 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)s1 ZINC000004276173 181091799 /nfs/dbraw/zinc/09/17/99/181091799.db2.gz MPMRVGFJURSEGW-UHFFFAOYSA-N 0 0 305.746 3.704 50 0 DHAARN CCOc1ccc([C@H]2CC(c3cccs3)=NN2C(C)=O)cc1 ZINC000004317923 181097472 /nfs/dbraw/zinc/09/74/72/181097472.db2.gz GOSKNFHXBINBND-MRXNPFEDSA-N 0 0 314.410 3.844 50 0 DHAARN Cc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 ZINC000004325730 181097684 /nfs/dbraw/zinc/09/76/84/181097684.db2.gz NFDYOUTYVPTTHW-UHFFFAOYSA-N 0 0 312.350 3.586 50 0 DHAARN CCc1ccc(C)c(NC(=O)Nc2nnc(C3CC3)s2)c1 ZINC000004333973 181099513 /nfs/dbraw/zinc/09/95/13/181099513.db2.gz JYWATKAJYMBKAO-UHFFFAOYSA-N 0 0 302.403 3.930 50 0 DHAARN CCSc1nc2sc3c(c2c2n[nH]c(=S)n21)CCCC3 ZINC000004349320 181100923 /nfs/dbraw/zinc/10/09/23/181100923.db2.gz OLEXLFZNBBVQRT-UHFFFAOYSA-N 0 0 322.484 3.619 50 0 DHAARN CCOc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1OC ZINC000004433628 181109816 /nfs/dbraw/zinc/10/98/16/181109816.db2.gz FUYJNIRPSILIAX-UHFFFAOYSA-N 0 0 314.316 3.950 50 0 DHAARN Cc1cccc(CSc2nnc3ccc(-c4ccco4)nn32)c1 ZINC000004376751 181104437 /nfs/dbraw/zinc/10/44/37/181104437.db2.gz XUBWDTYJANADFP-UHFFFAOYSA-N 0 0 322.393 3.985 50 0 DHAARN Cc1nc(-c2ccccc2)sc1CCNC(=O)CC(C)C ZINC000004392437 181106746 /nfs/dbraw/zinc/10/67/46/181106746.db2.gz SBUOOPOGBIEMTR-UHFFFAOYSA-N 0 0 302.443 3.823 50 0 DHAARN CCc1nnc2sc(/C=C/c3cccc(C(F)(F)F)c3)nn12 ZINC000004539870 181121606 /nfs/dbraw/zinc/12/16/06/181121606.db2.gz FHCXJNCIDNGTRN-VOTSOKGWSA-N 0 0 324.331 3.937 50 0 DHAARN C(=C/c1nn2c(nnc2-c2ccco2)s1)\c1cccs1 ZINC000004538923 181122077 /nfs/dbraw/zinc/12/20/77/181122077.db2.gz NQOFQJDAVNCIJU-AATRIKPKSA-N 0 0 300.368 3.678 50 0 DHAARN Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)o1 ZINC000004543385 181122561 /nfs/dbraw/zinc/12/25/61/181122561.db2.gz LACGJSHPVBNHBT-RMLUDKJBSA-N 0 0 302.399 3.628 50 0 DHAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccco1 ZINC000004479416 181112651 /nfs/dbraw/zinc/11/26/51/181112651.db2.gz AAMFTIDAGIGIIX-UHFFFAOYSA-N 0 0 324.123 3.889 50 0 DHAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccco1 ZINC000004488155 181114162 /nfs/dbraw/zinc/11/41/62/181114162.db2.gz LGDDASAJLLCPQZ-UHFFFAOYSA-N 0 0 310.309 3.686 50 0 DHAARN C[C@@H](Sc1ccccc1F)c1nc2ccccc2c(=O)[nH]1 ZINC000004493298 181114494 /nfs/dbraw/zinc/11/44/94/181114494.db2.gz XTGGSTHJEKHMBJ-SNVBAGLBSA-N 0 0 300.358 3.916 50 0 DHAARN CCOCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000004510358 181117586 /nfs/dbraw/zinc/11/75/86/181117586.db2.gz FPEXRYIJEXONAL-UHFFFAOYSA-N 0 0 319.430 3.624 50 0 DHAARN Clc1ccc(-c2nnc3sc(-c4ccncc4)nn32)cc1 ZINC000004511689 181117671 /nfs/dbraw/zinc/11/76/71/181117671.db2.gz YKOMSFJFDMSZSC-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN Clc1ccc(-c2nnc3sc(-c4cccnc4)nn32)cc1 ZINC000004511688 181117792 /nfs/dbraw/zinc/11/77/92/181117792.db2.gz MCSCHLQUAKYKKZ-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN COc1ccc(/C=C/C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1 ZINC000004511432 181117829 /nfs/dbraw/zinc/11/78/29/181117829.db2.gz DPXYTNCTWYKMLW-JUBDITTISA-N 0 0 323.323 3.844 50 0 DHAARN CCCC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000004591552 181127987 /nfs/dbraw/zinc/12/79/87/181127987.db2.gz CVEBFGQFPZSBLP-UHFFFAOYSA-N 0 0 314.776 3.813 50 0 DHAARN COc1ccccc1C1=N/C(=C\C(C)=C\c2ccccc2)C(=O)O1 ZINC000004589615 181128131 /nfs/dbraw/zinc/12/81/31/181128131.db2.gz GEDQNWBVFZXGKV-PZAFVPBJSA-N 0 0 319.360 3.986 50 0 DHAARN CCCC[C@H](CC)CNC(=O)CCC(=O)NC1CCCCC1 ZINC000004616454 181129833 /nfs/dbraw/zinc/12/98/33/181129833.db2.gz TYWNCLFMSGUBCD-HNNXBMFYSA-N 0 0 310.482 3.548 50 0 DHAARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O ZINC000004695942 181138038 /nfs/dbraw/zinc/13/80/38/181138038.db2.gz AFOCPTNORZQPOT-OTIXFSKASA-N 0 0 311.790 3.880 50 0 DHAARN CCOc1cccc(OCCOCCOc2ccc(F)cc2)c1 ZINC000004701792 181138971 /nfs/dbraw/zinc/13/89/71/181138971.db2.gz CIDLAJKDXOKNOC-UHFFFAOYSA-N 0 0 320.360 3.699 50 0 DHAARN CC(C)C(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000004680734 181135861 /nfs/dbraw/zinc/13/58/61/181135861.db2.gz IHZHEZKPLLZBKJ-UHFFFAOYSA-N 0 0 302.418 3.734 50 0 DHAARN Cc1c(Cl)cccc1-n1c(=O)oc2ccc(Cl)cc2c1=O ZINC000004702731 181139915 /nfs/dbraw/zinc/13/99/15/181139915.db2.gz XYCDPMMFNMEJFV-UHFFFAOYSA-N 0 0 322.147 3.559 50 0 DHAARN CCSc1ccccc1C(=O)NCc1ccccc1OC ZINC000004725030 181143339 /nfs/dbraw/zinc/14/33/39/181143339.db2.gz YMNKPBXVCGJTSW-UHFFFAOYSA-N 0 0 301.411 3.737 50 0 DHAARN O=C(NCc1ccccc1)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000004727656 181143916 /nfs/dbraw/zinc/14/39/16/181143916.db2.gz HJRRHYALPFCVHT-UHFFFAOYSA-N 0 0 322.408 3.745 50 0 DHAARN Oc1ccccc1-c1nc2ncccn2c1Nc1ccccc1 ZINC000004734128 181144356 /nfs/dbraw/zinc/14/43/56/181144356.db2.gz ZKXXSVIWSSVGOH-UHFFFAOYSA-N 0 0 302.337 3.846 50 0 DHAARN O=C(CCSc1ccccc1)NCCc1ccc(F)cc1 ZINC000004740518 181145199 /nfs/dbraw/zinc/14/51/99/181145199.db2.gz XADPKDMYQVGNRD-UHFFFAOYSA-N 0 0 303.402 3.667 50 0 DHAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000004740434 181145395 /nfs/dbraw/zinc/14/53/95/181145395.db2.gz HFTWIVJTFKKGSR-UHFFFAOYSA-N 0 0 317.776 3.582 50 0 DHAARN O=C(COc1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000004783964 181152122 /nfs/dbraw/zinc/15/21/22/181152122.db2.gz SXCSWDUMSCAGJD-UHFFFAOYSA-N 0 0 321.332 3.586 50 0 DHAARN O=C(NCCn1ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004800944 181153126 /nfs/dbraw/zinc/15/31/26/181153126.db2.gz JBGIZPKMUXZZKG-UHFFFAOYSA-N 0 0 322.452 3.974 50 0 DHAARN Cc1c(C(=O)Nc2cccc(F)c2C)cnn1-c1ccccc1 ZINC000073391943 191310524 /nfs/dbraw/zinc/31/05/24/191310524.db2.gz LXAKHQYQXINGOM-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2CC)cc1C ZINC000004809529 181154623 /nfs/dbraw/zinc/15/46/23/181154623.db2.gz GPUDOGXXOUZIBJ-UHFFFAOYSA-N 0 0 319.426 3.757 50 0 DHAARN Cc1cc(C)c(C(=O)COC(=O)c2n[nH]c3ccccc32)cc1C ZINC000004822815 181157332 /nfs/dbraw/zinc/15/73/32/181157332.db2.gz XEMNDBKMTLPGCK-UHFFFAOYSA-N 0 0 322.364 3.528 50 0 DHAARN Cc1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@@H]2C(C)C)cc1 ZINC000004827816 181157986 /nfs/dbraw/zinc/15/79/86/181157986.db2.gz HRSUJLDSSMFIOV-WBVHZDCISA-N 0 0 320.458 3.570 50 0 DHAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(N)=O ZINC000004830438 181158595 /nfs/dbraw/zinc/15/85/95/181158595.db2.gz ZGZXAJHZVGYDKO-LBPRGKRZSA-N 0 0 323.421 3.710 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2OC)cc1 ZINC000004841881 181161126 /nfs/dbraw/zinc/16/11/26/181161126.db2.gz FSOQXNYUIFVCEA-UHFFFAOYSA-N 0 0 312.369 3.604 50 0 DHAARN NC(=O)c1oc2ccccc2c1NC(=O)c1cc2ccccc2o1 ZINC000004852019 181163186 /nfs/dbraw/zinc/16/31/86/181163186.db2.gz MWRCGARIZRKMHV-UHFFFAOYSA-N 0 0 320.304 3.530 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 ZINC000004865523 181165253 /nfs/dbraw/zinc/16/52/53/181165253.db2.gz GLHWIKLSNXBZTP-HQLMBJAVSA-N 0 0 304.478 3.890 50 0 DHAARN CCOC(=O)Nc1sc2c(c1C(=O)OC)CCCCCC2 ZINC000004903556 181170920 /nfs/dbraw/zinc/17/09/20/181170920.db2.gz GLGUOZATXBTBRP-UHFFFAOYSA-N 0 0 311.403 3.762 50 0 DHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(C)C3=O ZINC000004866831 181166035 /nfs/dbraw/zinc/16/60/35/181166035.db2.gz DPZJEOYBBAJEAY-KRWDZBQOSA-N 0 0 319.360 3.585 50 0 DHAARN C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000004912116 181172235 /nfs/dbraw/zinc/17/22/35/181172235.db2.gz WJBMRHSXFAMPLP-NHZBNJEXSA-N 0 0 323.392 3.969 50 0 DHAARN CC[C@H](C)NC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939293 181175810 /nfs/dbraw/zinc/17/58/10/181175810.db2.gz QMTIZZIDHRORKV-JTQLQIEISA-N 0 0 315.394 3.844 50 0 DHAARN C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1 ZINC000004937219 181175910 /nfs/dbraw/zinc/17/59/10/181175910.db2.gz UKJAJJXEDFGOGV-LBPRGKRZSA-N 0 0 323.323 3.802 50 0 DHAARN Cc1cc(C)n(-c2nc(C)cc(Nc3cc(F)ccc3C)n2)n1 ZINC000004942008 181176286 /nfs/dbraw/zinc/17/62/86/181176286.db2.gz XHRJTZIBKUXQID-UHFFFAOYSA-N 0 0 311.364 3.779 50 0 DHAARN Cc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1 ZINC000004949736 181178245 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COC(=O)COc1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000013955101 181915205 /nfs/dbraw/zinc/91/52/05/181915205.db2.gz XWFIKRHGTQRRML-UHFFFAOYSA-N 0 0 319.401 3.537 50 0 DHAARN CC(F)(F)c1cccc(NC(=O)NCC(F)(F)C(F)F)c1 ZINC000282684740 217175912 /nfs/dbraw/zinc/17/59/12/217175912.db2.gz KQMRHEGDXHGNFO-UHFFFAOYSA-N 0 0 314.229 3.820 50 0 DHAARN CC(=O)N[C@H](CC(=O)Nc1ccccc1Cl)c1cccs1 ZINC000014093208 181924451 /nfs/dbraw/zinc/92/44/51/181924451.db2.gz NBKUMFHBYZEBNH-CYBMUJFWSA-N 0 0 322.817 3.608 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CCC1CCCC1 ZINC000014184687 181933811 /nfs/dbraw/zinc/93/38/11/181933811.db2.gz GWZSXPYKYMGJSO-UHFFFAOYSA-N 0 0 322.836 3.674 50 0 DHAARN Cc1csc2[nH]c(-c3cccc(C(F)(F)F)c3)nc(=O)c12 ZINC000014187769 181934814 /nfs/dbraw/zinc/93/48/14/181934814.db2.gz GZJZJXRZUSTQBV-UHFFFAOYSA-N 0 0 310.300 3.979 50 0 DHAARN CSc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000014255165 181944986 /nfs/dbraw/zinc/94/49/86/181944986.db2.gz FCYZVIPIXFOPBD-UHFFFAOYSA-N 0 0 313.426 3.656 50 0 DHAARN Cc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)o1 ZINC000014902604 181975161 /nfs/dbraw/zinc/97/51/61/181975161.db2.gz RUCXGRHRLPHXAF-UHFFFAOYSA-N 0 0 306.268 3.690 50 0 DHAARN CCc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000015011301 181982806 /nfs/dbraw/zinc/98/28/06/181982806.db2.gz NUQWJTHYNBYSLL-VBKFSLOCSA-N 0 0 314.454 3.639 50 0 DHAARN Fc1cccc(F)c1C1=NNC(=NC2CCCCC2)SC1 ZINC000015405206 182000534 /nfs/dbraw/zinc/00/05/34/182000534.db2.gz IXHAAZDUUHPFNQ-UHFFFAOYSA-N 0 0 309.385 3.694 50 0 DHAARN O=C(CSc1ccc2ccccc2c1)NCc1ccccn1 ZINC000015434269 182001740 /nfs/dbraw/zinc/00/17/40/182001740.db2.gz AGICHDGQFASGNC-UHFFFAOYSA-N 0 0 308.406 3.643 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(F)c1 ZINC000015568968 182007363 /nfs/dbraw/zinc/00/73/63/182007363.db2.gz UHOMJNCWEOMSRK-UHFFFAOYSA-N 0 0 312.344 3.513 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000015618813 182009106 /nfs/dbraw/zinc/00/91/06/182009106.db2.gz USAFQFXOUJHNLV-UHFFFAOYSA-N 0 0 303.745 3.754 50 0 DHAARN CCCNc1ncccc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000015669982 182011001 /nfs/dbraw/zinc/01/10/01/182011001.db2.gz KCIZCYRMIVKSCR-UHFFFAOYSA-N 0 0 310.357 3.629 50 0 DHAARN CCc1nc(SC)ncc1C(=O)Nc1ccc(Cl)cc1C ZINC000015681134 182012365 /nfs/dbraw/zinc/01/23/65/182012365.db2.gz JWTDGRXXIYOBLF-UHFFFAOYSA-N 0 0 321.833 3.975 50 0 DHAARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1C1CCCCC1 ZINC000015723433 182013712 /nfs/dbraw/zinc/01/37/12/182013712.db2.gz RGRBDZYQLCKZEX-ZROIWOOFSA-N 0 0 304.415 3.934 50 0 DHAARN C/C=C/c1ccc(OCC(=O)N2CCc3ccccc32)c(OC)c1 ZINC000015563455 182006793 /nfs/dbraw/zinc/00/67/93/182006793.db2.gz IZIHTSPXZSZYCJ-ZZXKWVIFSA-N 0 0 323.392 3.696 50 0 DHAARN COc1cccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)c1 ZINC000015833117 182019571 /nfs/dbraw/zinc/01/95/71/182019571.db2.gz VQXAROPBQWUNCZ-UHFFFAOYSA-N 0 0 322.364 3.839 50 0 DHAARN COc1ccc(-c2cc(C(=O)Oc3ccccc3C)no2)cc1 ZINC000015833085 182019885 /nfs/dbraw/zinc/01/98/85/182019885.db2.gz UVPZQYZTCOOHOA-UHFFFAOYSA-N 0 0 309.321 3.878 50 0 DHAARN O=C(NCc1ccccc1Cl)C1=Cc2ccccc2OC=C1 ZINC000015838511 182020990 /nfs/dbraw/zinc/02/09/90/182020990.db2.gz VLVVWDLAHBPDPA-UHFFFAOYSA-N 0 0 311.768 3.946 50 0 DHAARN COc1ccc2c(c1)C=C(C(=O)Nc1ccc(F)cc1)C=CO2 ZINC000015838756 182021220 /nfs/dbraw/zinc/02/12/20/182021220.db2.gz TVHYHBHZVCGNPT-UHFFFAOYSA-N 0 0 311.312 3.763 50 0 DHAARN CCc1cccc(Nc2cc(C)nc3nc(-c4ccco4)nn32)c1 ZINC000015780365 182016511 /nfs/dbraw/zinc/01/65/11/182016511.db2.gz VLXHOGUHXXYUIQ-UHFFFAOYSA-N 0 0 319.368 3.999 50 0 DHAARN COc1ccc(NC(=O)c2ncoc2-c2cccc(C)c2)cc1 ZINC000015782242 182016883 /nfs/dbraw/zinc/01/68/83/182016883.db2.gz KKKLBUAPHNJDNX-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN Cc1ccc(NC(=O)c2cc(-c3ccccn3)[nH]n2)cc1Cl ZINC000015785552 182017174 /nfs/dbraw/zinc/01/71/74/182017174.db2.gz RRRJIELWIILXJT-UHFFFAOYSA-N 0 0 312.760 3.686 50 0 DHAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc2ncccc21 ZINC000015980109 182026952 /nfs/dbraw/zinc/02/69/52/182026952.db2.gz GLKGGWLJPXZWJF-UHFFFAOYSA-N 0 0 322.339 3.976 50 0 DHAARN COc1ccccc1[C@@H](C)NC(=O)c1c(F)cccc1Cl ZINC000015967008 182027180 /nfs/dbraw/zinc/02/71/80/182027180.db2.gz PHJQZNGZKBVCKI-SNVBAGLBSA-N 0 0 307.752 3.979 50 0 DHAARN CSc1cccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000016050922 182031243 /nfs/dbraw/zinc/03/12/43/182031243.db2.gz PCLVNRFYFLXFFF-UHFFFAOYSA-N 0 0 310.378 3.502 50 0 DHAARN Clc1nc(Cl)c2cc(I)ccc2n1 ZINC000016125007 182034805 /nfs/dbraw/zinc/03/48/05/182034805.db2.gz ZSIKVJNEGVNYIC-UHFFFAOYSA-N 0 0 324.936 3.541 50 0 DHAARN COc1ccc(CN(C)C(=S)Nc2ccc(C)cc2)cc1 ZINC000016308119 182039394 /nfs/dbraw/zinc/03/93/94/182039394.db2.gz GXCLBNWAEBNPIA-UHFFFAOYSA-N 0 0 300.427 3.832 50 0 DHAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(Br)cc1 ZINC000016471655 182045730 /nfs/dbraw/zinc/04/57/30/182045730.db2.gz OUQAHATXUCQNCH-HNNXBMFYSA-N 0 0 316.198 3.866 50 0 DHAARN Cc1cc(OCC(=O)Nc2cc(C(C)(C)C)on2)ccc1Cl ZINC000016580118 182050228 /nfs/dbraw/zinc/05/02/28/182050228.db2.gz HVPFGDBADIIVEI-UHFFFAOYSA-N 0 0 322.792 3.951 50 0 DHAARN C[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000016580777 182050714 /nfs/dbraw/zinc/05/07/14/182050714.db2.gz NXOGKBHRMBGLPS-SNVBAGLBSA-N 0 0 302.201 3.631 50 0 DHAARN Cc1sc(NC(=O)[C@H]2CCCO2)nc1-c1ccc(C)c(C)c1 ZINC000016603656 182052337 /nfs/dbraw/zinc/05/23/37/182052337.db2.gz ZELKPZAKRVCOTQ-CQSZACIVSA-N 0 0 316.426 3.853 50 0 DHAARN O=C(NC[C@@H]1CCCO1)c1sc2cc(F)ccc2c1Cl ZINC000016603743 182052448 /nfs/dbraw/zinc/05/24/48/182052448.db2.gz ZLEZPFSBALKXDB-VIFPVBQESA-N 0 0 313.781 3.603 50 0 DHAARN C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)C[C@@H](C)O1 ZINC000016604744 182052494 /nfs/dbraw/zinc/05/24/94/182052494.db2.gz BJMOIPIDLJKIAG-CHWSQXEVSA-N 0 0 307.459 3.657 50 0 DHAARN CCCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 ZINC000016527117 182048548 /nfs/dbraw/zinc/04/85/48/182048548.db2.gz WASYAPVQPOCBFB-UHFFFAOYSA-N 0 0 322.364 3.778 50 0 DHAARN O=C(Cc1csc(Nc2ccccc2)n1)Nc1nccs1 ZINC000016850031 182061866 /nfs/dbraw/zinc/06/18/66/182061866.db2.gz CRIVTKJBYUXOMR-UHFFFAOYSA-N 0 0 316.411 3.524 50 0 DHAARN CC(=O)c1c(F)cccc1NCc1ccc(Cn2cccn2)cc1 ZINC000016738575 182059324 /nfs/dbraw/zinc/05/93/24/182059324.db2.gz AXLPEVBUKBSPFG-UHFFFAOYSA-N 0 0 323.371 3.885 50 0 DHAARN Cc1cccc(/N=c2\scc(-c3ccccc3)n2CCO)c1 ZINC000016739869 182059335 /nfs/dbraw/zinc/05/93/35/182059335.db2.gz FVMCOWAMDMIWIN-HNENSFHCSA-N 0 0 310.422 3.750 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1 ZINC000016751076 182059904 /nfs/dbraw/zinc/05/99/04/182059904.db2.gz LMYTTYBKVBLIBR-UHFFFAOYSA-N 0 0 322.364 3.881 50 0 DHAARN Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1F ZINC000016985183 182067582 /nfs/dbraw/zinc/06/75/82/182067582.db2.gz HBGALJPVMDJREN-UHFFFAOYSA-N 0 0 313.372 3.821 50 0 DHAARN Cc1cc(NC(=O)c2ccc(F)cc2)nn1Cc1ccccc1 ZINC000017031930 182069808 /nfs/dbraw/zinc/06/98/08/182069808.db2.gz GQQAFNHAVDUQRF-UHFFFAOYSA-N 0 0 309.344 3.631 50 0 DHAARN Cc1cc(COC(=O)c2ccc(COc3ccccc3)o2)no1 ZINC000017144631 182077341 /nfs/dbraw/zinc/07/73/41/182077341.db2.gz PACXBWRPDXWZGU-UHFFFAOYSA-N 0 0 313.309 3.512 50 0 DHAARN COc1cccc(-n2c(=O)c3c(C)c(C)sc3[nH]c2=S)c1 ZINC000017054704 182072164 /nfs/dbraw/zinc/07/21/64/182072164.db2.gz QZFQGSGPLJJIJQ-UHFFFAOYSA-N 0 0 318.423 3.735 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)N1CCc2ccccc2C1 ZINC000017116200 182075682 /nfs/dbraw/zinc/07/56/82/182075682.db2.gz YZTFHOFIACTMMA-MRXNPFEDSA-N 0 0 308.425 3.776 50 0 DHAARN CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000017602934 182084736 /nfs/dbraw/zinc/08/47/36/182084736.db2.gz IWVJJZJGBSHWNE-OAHLLOKOSA-N 0 0 324.424 3.682 50 0 DHAARN CC(=O)c1c(=O)[nH]c2ccc(Cl)c3c2c1-c1ccccc1C3=O ZINC000017820463 182086222 /nfs/dbraw/zinc/08/62/22/182086222.db2.gz YZXZKIPNMFFZIZ-UHFFFAOYSA-N 0 0 323.735 3.596 50 0 DHAARN Cc1cnc(N2C(=O)CS[C@H]2c2ccccc2Cl)s1 ZINC000017198005 182080000 /nfs/dbraw/zinc/08/00/00/182080000.db2.gz UUHYUWZUJJROFY-LBPRGKRZSA-N 0 0 310.831 3.884 50 0 DHAARN O=c1[nH]c(SCc2ccccc2Cl)nc2c1CCCC2 ZINC000018209464 182098843 /nfs/dbraw/zinc/09/88/43/182098843.db2.gz MMGKLHLGVRBVTK-UHFFFAOYSA-N 0 0 306.818 3.594 50 0 DHAARN Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4)c2ccccc2n1C ZINC000019325105 182115818 /nfs/dbraw/zinc/11/58/18/182115818.db2.gz SIKIARAOHBVFIF-UHFFFAOYSA-N 0 0 309.457 3.533 50 0 DHAARN CN1CCCN[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000019324405 182115987 /nfs/dbraw/zinc/11/59/87/182115987.db2.gz SROPGFFLPSJEKT-HNNXBMFYSA-N 0 0 321.218 3.633 50 0 DHAARN Clc1ccccc1Cn1ncc2cc(Br)cnc21 ZINC000019507499 182126634 /nfs/dbraw/zinc/12/66/34/182126634.db2.gz UQNVBDGPPAAKEU-UHFFFAOYSA-N 0 0 322.593 3.896 50 0 DHAARN Fc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019536972 182129541 /nfs/dbraw/zinc/12/95/41/182129541.db2.gz OVBRPLFRBHHIEZ-WEVVVXLNSA-N 0 0 310.416 3.657 50 0 DHAARN Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000019736092 182139822 /nfs/dbraw/zinc/13/98/22/182139822.db2.gz VXVFRQHXAALKOU-LLVKDONJSA-N 0 0 304.777 3.637 50 0 DHAARN CC(C)CC(=O)N1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000019782432 182148341 /nfs/dbraw/zinc/14/83/41/182148341.db2.gz JDCFPOZCQIHVEV-UHFFFAOYSA-N 0 0 310.441 3.530 50 0 DHAARN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000019736705 182140638 /nfs/dbraw/zinc/14/06/38/182140638.db2.gz CYRYCSXNDGPERP-UHFFFAOYSA-N 0 0 304.777 3.962 50 0 DHAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1C ZINC000019736475 182140640 /nfs/dbraw/zinc/14/06/40/182140640.db2.gz SHVKKDJGIALOOS-UHFFFAOYSA-N 0 0 304.777 3.557 50 0 DHAARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1F ZINC000019736608 182140725 /nfs/dbraw/zinc/14/07/25/182140725.db2.gz NJSYQCQFTIKVCT-MRXNPFEDSA-N 0 0 302.349 3.512 50 0 DHAARN Nc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1Cl ZINC000019736456 182140799 /nfs/dbraw/zinc/14/07/99/182140799.db2.gz IVGULLKIRSKWBL-UHFFFAOYSA-N 0 0 311.168 3.593 50 0 DHAARN COCc1noc(-c2ccc(NCCC3=CCCCC3)nc2)n1 ZINC000019839414 182155613 /nfs/dbraw/zinc/15/56/13/182155613.db2.gz MJZMZOWGUAFUMC-UHFFFAOYSA-N 0 0 314.389 3.580 50 0 DHAARN Cc1ccccc1Cc1nc2n(n1)N=C(c1ccccc1)CS2 ZINC000019910207 182163608 /nfs/dbraw/zinc/16/36/08/182163608.db2.gz YYPRWETUJVKMFQ-UHFFFAOYSA-N 0 0 320.421 3.535 50 0 DHAARN Cc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1-c1ccccc1 ZINC000019910911 182163622 /nfs/dbraw/zinc/16/36/22/182163622.db2.gz ZHZMJQYRNJWQBG-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN COc1ccc(OC)c([C@H]2SCC(=O)N2C2CCCCC2)c1 ZINC000019927460 182165095 /nfs/dbraw/zinc/16/50/95/182165095.db2.gz ZXESXCCZXRFSFW-QGZVFWFLSA-N 0 0 321.442 3.611 50 0 DHAARN COc1ccc(CN2C(=O)CS[C@H]2c2cccs2)cc1 ZINC000019927322 182165099 /nfs/dbraw/zinc/16/50/99/182165099.db2.gz MWUUAVIDISPBAW-HNNXBMFYSA-N 0 0 305.424 3.531 50 0 DHAARN Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCOCC1 ZINC000019864074 182158156 /nfs/dbraw/zinc/15/81/56/182158156.db2.gz MEHVBJAOPKFSFL-GOSISDBHSA-N 0 0 312.438 3.959 50 0 DHAARN Cc1nc([C@@H](C)N(C)Cc2nc(CCC(C)C)no2)c(C)s1 ZINC000019882597 182159807 /nfs/dbraw/zinc/15/98/07/182159807.db2.gz OXDSLFGRZWQAII-LLVKDONJSA-N 0 0 322.478 3.925 50 0 DHAARN Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000020042017 182182851 /nfs/dbraw/zinc/18/28/51/182182851.db2.gz TXKBEPJYRUYOSO-ZDUSSCGKSA-N 0 0 323.845 3.829 50 0 DHAARN Cc1ccccc1OCCn1c2ccccc2n(CC(C)C)c1=N ZINC000020149338 182192056 /nfs/dbraw/zinc/19/20/56/182192056.db2.gz SXANPAKUKLLUCF-UHFFFAOYSA-N 0 0 323.440 3.966 50 0 DHAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCCc1cn[nH]c1 ZINC000097642167 193742239 /nfs/dbraw/zinc/74/22/39/193742239.db2.gz NRYPDMGOVKQKEM-GFCCVEGCSA-N 0 0 305.809 3.605 50 0 DHAARN Cc1ccc(CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000020207935 182197446 /nfs/dbraw/zinc/19/74/46/182197446.db2.gz GUUVRTSUOXBHKU-UHFFFAOYSA-N 0 0 317.776 3.923 50 0 DHAARN COc1ccc(NC(=O)c2noc3c2CCCCC3)cc1Cl ZINC000020258696 182201148 /nfs/dbraw/zinc/20/11/48/182201148.db2.gz KXNHWDYRBVFXLG-UHFFFAOYSA-N 0 0 320.776 3.858 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(C)cc2)cc1 ZINC000020278163 182202430 /nfs/dbraw/zinc/20/24/30/182202430.db2.gz DHXCTEHSQBHJSQ-GOSISDBHSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)c1 ZINC000020292453 182203199 /nfs/dbraw/zinc/20/31/99/182203199.db2.gz UMYWYJBGVZJQJP-GOSISDBHSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1nnc2c3ccccc3nc(Nc3ccccc3Cl)n12 ZINC000020565401 182232994 /nfs/dbraw/zinc/23/29/94/182232994.db2.gz FRQRVUWTISALMV-UHFFFAOYSA-N 0 0 309.760 3.983 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2c1 ZINC000020516828 182226744 /nfs/dbraw/zinc/22/67/44/182226744.db2.gz VSGRLDDXQSJKBD-UMVBOHGHSA-N 0 0 315.417 3.760 50 0 DHAARN CC[C@H](C)n1c2nc(C)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615671 182239491 /nfs/dbraw/zinc/23/94/91/182239491.db2.gz LITCEIIMFZNOCI-ZETCQYMHSA-N 0 0 317.336 3.752 50 0 DHAARN O=C(NCc1ccco1)c1cc(-n2cccc2)ccc1Cl ZINC000020722686 182243694 /nfs/dbraw/zinc/24/36/94/182243694.db2.gz AIZLQJVMEKQAJN-UHFFFAOYSA-N 0 0 300.745 3.654 50 0 DHAARN Cc1ccsc1-c1nnc2sc(-c3ccsc3)nn21 ZINC000020729674 182244525 /nfs/dbraw/zinc/24/45/25/182244525.db2.gz SNNSVGURNAGGLI-UHFFFAOYSA-N 0 0 304.425 3.951 50 0 DHAARN Cc1cc(C(F)F)c2c(=O)[nH]c(=S)n(C3CCCC3)c2n1 ZINC000020604216 182237198 /nfs/dbraw/zinc/23/71/98/182237198.db2.gz WXBPWWBKMVTWPE-UHFFFAOYSA-N 0 0 311.357 3.815 50 0 DHAARN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(F)F)cc1 ZINC000020602794 182237261 /nfs/dbraw/zinc/23/72/61/182237261.db2.gz MLRFOXQMQHOUJB-UHFFFAOYSA-N 0 0 303.312 3.984 50 0 DHAARN Cc1c(-c2cc(C(F)(F)F)c3c(n2)onc3C2CC2)cnn1C ZINC000020605794 182237608 /nfs/dbraw/zinc/23/76/08/182237608.db2.gz FVJKVPJGIJZKCL-UHFFFAOYSA-N 0 0 322.290 3.828 50 0 DHAARN O=C(COc1cccc2[nH]ccc21)Nc1ccccc1Cl ZINC000020739754 182246102 /nfs/dbraw/zinc/24/61/02/182246102.db2.gz FAMPTVSKOBLYET-UHFFFAOYSA-N 0 0 300.745 3.839 50 0 DHAARN CCc1cc(OCC(=O)NCc2cccs2)ccc1Cl ZINC000020822006 182247945 /nfs/dbraw/zinc/24/79/45/182247945.db2.gz WUUJVGVJVABBJE-UHFFFAOYSA-N 0 0 309.818 3.659 50 0 DHAARN Cc1cc(F)ccc1NC(=O)c1nc2ccccc2nc1Cl ZINC000020854166 182249285 /nfs/dbraw/zinc/24/92/85/182249285.db2.gz XTXGDQCIMHVLAW-UHFFFAOYSA-N 0 0 315.735 3.983 50 0 DHAARN CCOC(=O)Nc1cccc(OCCOc2ccc(F)cc2)c1 ZINC000020865999 182250672 /nfs/dbraw/zinc/25/06/72/182250672.db2.gz CDICLTHRRQEFMR-UHFFFAOYSA-N 0 0 319.332 3.852 50 0 DHAARN Cc1cccc(CCNC(=O)c2ncoc2-c2cccc(C)c2)c1 ZINC000021044670 182262944 /nfs/dbraw/zinc/26/29/44/182262944.db2.gz SSFVCOJFKMBUHO-UHFFFAOYSA-N 0 0 320.392 3.931 50 0 DHAARN O=C(C[C@@H](c1ccco1)n1cccc1)NCc1ccc(F)cc1 ZINC000020997388 182257967 /nfs/dbraw/zinc/25/79/67/182257967.db2.gz VBCNJENCTPSAKZ-INIZCTEOSA-N 0 0 312.344 3.516 50 0 DHAARN Cc1cccc([C@H](CC(=O)NCc2ccco2)n2cccc2)c1 ZINC000020998964 182259041 /nfs/dbraw/zinc/25/90/41/182259041.db2.gz MWVLUQLHRJVXEJ-SFHVURJKSA-N 0 0 308.381 3.685 50 0 DHAARN Cc1cccc(-c2ocnc2C(=O)NCc2ccccc2C)c1 ZINC000021044716 182262698 /nfs/dbraw/zinc/26/26/98/182262698.db2.gz CROHTEUBJJQNSV-UHFFFAOYSA-N 0 0 306.365 3.888 50 0 DHAARN COc1ccc(C(C)=O)cc1CN1CCc2sccc2C1 ZINC000021418566 182273901 /nfs/dbraw/zinc/27/39/01/182273901.db2.gz YFAHLVRKSXAGKY-UHFFFAOYSA-N 0 0 301.411 3.518 50 0 DHAARN O=C(Nc1cccc(F)c1)c1cccc2c1SCCC2=O ZINC000021103282 182265455 /nfs/dbraw/zinc/26/54/55/182265455.db2.gz HCNTYPPAIQELQH-UHFFFAOYSA-N 0 0 301.342 3.757 50 0 DHAARN C[C@H]1C(=O)N(C/C=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000021268305 182270400 /nfs/dbraw/zinc/27/04/00/182270400.db2.gz GAQUUOUGJXSBMN-GPAKFWEMSA-N 0 0 324.355 3.696 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccccc2F)no1 ZINC000021719091 182285237 /nfs/dbraw/zinc/28/52/37/182285237.db2.gz PAOJXFUIKWHRMI-INIZCTEOSA-N 0 0 316.376 3.843 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)no2)no1 ZINC000021718742 182285362 /nfs/dbraw/zinc/28/53/62/182285362.db2.gz FRNILWQFPQOOTP-INIZCTEOSA-N 0 0 323.352 3.615 50 0 DHAARN CCc1cc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)on1 ZINC000021719594 182286657 /nfs/dbraw/zinc/28/66/57/182286657.db2.gz NQWQHVJMSFVIKT-OAHLLOKOSA-N 0 0 318.804 3.797 50 0 DHAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1c1cccs1 ZINC000021525268 182278570 /nfs/dbraw/zinc/27/85/70/182278570.db2.gz VNMNHFSJIZJMML-GFCCVEGCSA-N 0 0 314.366 3.973 50 0 DHAARN Cc1ccc2c(c1)N=C(c1cccnc1)NC(c1ccncc1)=N2 ZINC000021523199 182278696 /nfs/dbraw/zinc/27/86/96/182278696.db2.gz IXCAXABMPQXDOI-UHFFFAOYSA-N 0 0 313.364 3.736 50 0 DHAARN Cc1ccccc1CCNC(=O)c1ncoc1-c1cccs1 ZINC000021641947 182281947 /nfs/dbraw/zinc/28/19/47/182281947.db2.gz PBNGULYNMPXDLQ-UHFFFAOYSA-N 0 0 312.394 3.684 50 0 DHAARN Cc1ccc(-c2noc3ncnc(N4CCCCCC4)c23)cc1 ZINC000021650696 182282916 /nfs/dbraw/zinc/28/29/16/182282916.db2.gz CVQWYADHRJTKFY-UHFFFAOYSA-N 0 0 308.385 3.974 50 0 DHAARN Cc1cn2c(nc(CSc3ccccc3C)cc2=O)s1 ZINC000021650867 182282956 /nfs/dbraw/zinc/28/29/56/182282956.db2.gz YZZCYPURENYYGZ-UHFFFAOYSA-N 0 0 302.424 3.665 50 0 DHAARN CCCc1cc(C(=O)N2CCC[C@H]2c2ccccc2F)no1 ZINC000021791291 182289319 /nfs/dbraw/zinc/28/93/19/182289319.db2.gz DEZLTAMODYSPQG-INIZCTEOSA-N 0 0 302.349 3.744 50 0 DHAARN Cc1cc(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2[nH]1 ZINC000021792925 182289527 /nfs/dbraw/zinc/28/95/27/182289527.db2.gz FIBFKOSUYFTMNN-UHFFFAOYSA-N 0 0 306.365 3.706 50 0 DHAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1ccnn1CC ZINC000021791844 182289881 /nfs/dbraw/zinc/28/98/81/182289881.db2.gz PJKHSPUJFGBBJC-INIZCTEOSA-N 0 0 312.417 3.834 50 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DHAARN CC(C)(C)c1ccc2c(c1)C[C@@H](CNC(=O)c1cccs1)O2 ZINC000022333394 182319018 /nfs/dbraw/zinc/31/90/18/182319018.db2.gz XAJVZQUUEKPDTR-AWEZNQCLSA-N 0 0 315.438 3.779 50 0 DHAARN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(F)cc1Cl ZINC000022389427 182320183 /nfs/dbraw/zinc/32/01/83/182320183.db2.gz XENPGMYOLZPIJW-UHFFFAOYSA-N 0 0 319.767 3.727 50 0 DHAARN Cc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000022411787 182320539 /nfs/dbraw/zinc/32/05/39/182320539.db2.gz NGUHQMJJFRLOQH-LLVKDONJSA-N 0 0 308.303 3.900 50 0 DHAARN Cc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c1 ZINC000022235189 182313991 /nfs/dbraw/zinc/31/39/91/182313991.db2.gz FFLCEPQBOVVAEA-UHFFFAOYSA-N 0 0 318.376 3.508 50 0 DHAARN O=C(Cc1noc2ccccc21)N1CCC[C@H]1c1ccccc1 ZINC000022551722 182326611 /nfs/dbraw/zinc/32/66/11/182326611.db2.gz QQLAZYOGEJOYCP-KRWDZBQOSA-N 0 0 306.365 3.734 50 0 DHAARN Clc1cc(CN2CCc3sccc3C2)c2c(c1)COCO2 ZINC000022549639 182326618 /nfs/dbraw/zinc/32/66/18/182326618.db2.gz UIYXDXHDBYOSPD-UHFFFAOYSA-N 0 0 321.829 3.826 50 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CC(C)CCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000022833732 182337154 /nfs/dbraw/zinc/33/71/54/182337154.db2.gz OZIFAHVHUKMRON-UHFFFAOYSA-N 0 0 316.426 3.776 50 0 DHAARN CCOc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000022882767 182339110 /nfs/dbraw/zinc/33/91/10/182339110.db2.gz ILHAGPROTUENFE-RYUDHWBXSA-N 0 0 315.335 3.936 50 0 DHAARN C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000023143733 182351315 /nfs/dbraw/zinc/35/13/15/182351315.db2.gz QLRPKNHFXBLNQH-KDOFPFPSSA-N 0 0 312.413 3.549 50 0 DHAARN Cc1[nH]c([C@@H]2CC(=O)N(C(C)C)C2)nc1-c1cccc(Cl)c1 ZINC000023251311 182354830 /nfs/dbraw/zinc/35/48/30/182354830.db2.gz XPIVHZGUGQNCIJ-CYBMUJFWSA-N 0 0 317.820 3.763 50 0 DHAARN Cc1ccc(S(=O)(=O)Nc2c(F)cccc2F)c(Cl)c1 ZINC000023043399 182345742 /nfs/dbraw/zinc/34/57/42/182345742.db2.gz CHUWNAYPEPZJRA-UHFFFAOYSA-N 0 0 317.744 3.727 50 0 DHAARN CC(C)N1C[C@H](c2nc(-c3cccc4ccccc43)c[nH]2)CC1=O ZINC000023506314 182362117 /nfs/dbraw/zinc/36/21/17/182362117.db2.gz XKIUOBOEAZKPEG-OAHLLOKOSA-N 0 0 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183168828 /nfs/dbraw/zinc/16/88/28/183168828.db2.gz KYHSPHWCCUENAX-AWEZNQCLSA-N 0 0 317.389 3.537 50 0 DHAARN CC(=O)c1csc(NC(=O)c2cc3c(s2)CCCCC3)n1 ZINC000041907251 183224255 /nfs/dbraw/zinc/22/42/55/183224255.db2.gz UFUJKLDJYIMFJD-UHFFFAOYSA-N 0 0 320.439 3.928 50 0 DHAARN Cc1nc(CNc2nc(C)nc3sc4c(c32)CCC4)cs1 ZINC000042109120 183232744 /nfs/dbraw/zinc/23/27/44/183232744.db2.gz WVCWWLNKFWXGRC-UHFFFAOYSA-N 0 0 316.455 3.865 50 0 DHAARN CC(=O)c1csc(NC(=O)C2(c3ccc(F)cc3)CCC2)n1 ZINC000042689002 183296042 /nfs/dbraw/zinc/29/60/42/183296042.db2.gz VILWXNIMSXFGPF-UHFFFAOYSA-N 0 0 318.373 3.545 50 0 DHAARN CC(C)=C[C@H]1[C@@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)C1(C)C ZINC000042887301 183316992 /nfs/dbraw/zinc/31/69/92/183316992.db2.gz BYQDQLKEODSFHT-YOEHRIQHSA-N 0 0 313.397 3.715 50 0 DHAARN CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C)on2)s1 ZINC000043013726 183327591 /nfs/dbraw/zinc/32/75/91/183327591.db2.gz ZTVSGVFBGVYLJM-CYBMUJFWSA-N 0 0 319.430 3.678 50 0 DHAARN CC(C)c1nc(CC(=O)N2CCC[C@@H]2c2ccncc2)cs1 ZINC000043009838 183327945 /nfs/dbraw/zinc/32/79/45/183327945.db2.gz ROMIIIXZIVWIJK-OAHLLOKOSA-N 0 0 315.442 3.568 50 0 DHAARN COc1ccc2c(c1)N1C(=O)c3ccccc3[C@H]1c1cccn1-2 ZINC000042782923 183309343 /nfs/dbraw/zinc/30/93/43/183309343.db2.gz VJHSKGSLJYROBP-SFHVURJKSA-N 0 0 302.333 3.549 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccccc2C)on1 ZINC000042800541 183310857 /nfs/dbraw/zinc/31/08/57/183310857.db2.gz WCLYVXSVWVJVLI-ZBFHGGJFSA-N 0 0 313.401 3.899 50 0 DHAARN C[C@H](NC(=O)N1CCC[C@H]1c1ccsc1)c1ccccn1 ZINC000043181379 183343885 /nfs/dbraw/zinc/34/38/85/183343885.db2.gz CFWUOMGJGFRYAB-WFASDCNBSA-N 0 0 301.415 3.751 50 0 DHAARN COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000043279348 183350454 /nfs/dbraw/zinc/35/04/54/183350454.db2.gz OQANXUAAZCBJET-HNNXBMFYSA-N 0 0 315.373 3.669 50 0 DHAARN O=C(Nc1cccc2cccnc21)N1CCC[C@@H]1c1ccncc1 ZINC000043529325 183369940 /nfs/dbraw/zinc/36/99/40/183369940.db2.gz UVNKGMJVEICGDI-QGZVFWFLSA-N 0 0 318.380 3.999 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc(-c2nnco2)c1)c1cccs1 ZINC000044086978 183394008 /nfs/dbraw/zinc/39/40/08/183394008.db2.gz XGZAFFCHCPVGCT-SNVBAGLBSA-N 0 0 314.370 3.681 50 0 DHAARN CN(C(=O)Nc1cccc(-c2nnco2)c1)C1CCCCC1 ZINC000044087545 183394091 /nfs/dbraw/zinc/39/40/91/183394091.db2.gz JTBMGUXVCCTTQV-UHFFFAOYSA-N 0 0 300.362 3.533 50 0 DHAARN CC(=S)Nc1cc(Br)ccc1Br ZINC000044154587 183396444 /nfs/dbraw/zinc/39/64/44/183396444.db2.gz ITGDNRAJLMOMRY-UHFFFAOYSA-N 0 0 309.026 3.971 50 0 DHAARN CCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccnc2)cc1 ZINC000044889523 183447972 /nfs/dbraw/zinc/44/79/72/183447972.db2.gz AZGRSDYAHPSYPK-KRWDZBQOSA-N 0 0 311.385 3.849 50 0 DHAARN COc1ncccc1NC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000045153116 183485843 /nfs/dbraw/zinc/48/58/43/183485843.db2.gz DPPKTTNUDJCJIB-MRXNPFEDSA-N 0 0 323.352 3.594 50 0 DHAARN CCSc1nnc(SCc2noc(CC(C)C)n2)s1 ZINC000045091377 183481029 /nfs/dbraw/zinc/48/10/29/183481029.db2.gz RGVPJFJPMYMGBM-UHFFFAOYSA-N 0 0 316.477 3.524 50 0 DHAARN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(F)c2)cc1OC ZINC000045384528 183503327 /nfs/dbraw/zinc/50/33/27/183503327.db2.gz JNOCOTXXZFPOCV-LBPRGKRZSA-N 0 0 317.360 3.642 50 0 DHAARN CCc1noc(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000046018797 183543956 /nfs/dbraw/zinc/54/39/56/183543956.db2.gz WSSFNZKFBRHXEY-UHFFFAOYSA-N 0 0 323.352 3.560 50 0 DHAARN O=C(c1cc(-c2ccccc2)no1)N1CCC[C@H]1c1ccncc1 ZINC000047074800 183580038 /nfs/dbraw/zinc/58/00/38/183580038.db2.gz KSHQJUVTEQCZIW-KRWDZBQOSA-N 0 0 319.364 3.714 50 0 DHAARN C[C@H](c1ccccc1)N(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000105870444 194151192 /nfs/dbraw/zinc/15/11/92/194151192.db2.gz YWJIWBAFVQFGHK-ZIAGYGMSSA-N 0 0 307.397 3.677 50 0 DHAARN CN(Cc1ccco1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000047713935 183603327 /nfs/dbraw/zinc/60/33/27/183603327.db2.gz YZIQDLAELLWRGZ-UHFFFAOYSA-N 0 0 314.263 3.684 50 0 DHAARN O=C(c1cc(F)cc(F)c1)N1CCC(Nc2ccccc2)CC1 ZINC000048291936 183639477 /nfs/dbraw/zinc/63/94/77/183639477.db2.gz LPIBMTRDWZGXMC-UHFFFAOYSA-N 0 0 316.351 3.682 50 0 DHAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC[C@H](C)C1 ZINC000048256140 183632737 /nfs/dbraw/zinc/63/27/37/183632737.db2.gz MGACOMNSTJGYMC-ZDUSSCGKSA-N 0 0 317.433 3.853 50 0 DHAARN O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@H]1C[C@H]1c1ccco1 ZINC000106631288 194238905 /nfs/dbraw/zinc/23/89/05/194238905.db2.gz UMGYCEPRKDSVPE-MBNYWOFBSA-N 0 0 317.772 3.677 50 0 DHAARN COCc1ccccc1CNC(=O)Nc1ccc(C)cc1F ZINC000048344742 183648255 /nfs/dbraw/zinc/64/82/55/183648255.db2.gz JPTWXZGYYNPVQO-UHFFFAOYSA-N 0 0 302.349 3.602 50 0 DHAARN C/C=C/C=C\C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000106639714 194239887 /nfs/dbraw/zinc/23/98/87/194239887.db2.gz QCEIWIDGTSLZKT-IZBFCPBOSA-N 0 0 309.413 3.852 50 0 DHAARN Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000106715927 194246165 /nfs/dbraw/zinc/24/61/65/194246165.db2.gz WGSRINSIHHMAFO-OAHLLOKOSA-N 0 0 321.380 3.587 50 0 DHAARN C[C@@H]1c2ccsc2CCN1C(=O)NOCc1ccccc1 ZINC000050096820 183773051 /nfs/dbraw/zinc/77/30/51/183773051.db2.gz NFDCENJDFNCUKY-GFCCVEGCSA-N 0 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/nfs/dbraw/zinc/08/72/31/184087231.db2.gz UWLWLMGQNQPCGJ-UHFFFAOYSA-N 0 0 321.336 3.530 50 0 DHAARN O=C(Nc1ccccc1OC(F)F)c1ccc(NC2CC2)nc1 ZINC000058201114 184087267 /nfs/dbraw/zinc/08/72/67/184087267.db2.gz SZWDWRCZRPJXQS-UHFFFAOYSA-N 0 0 319.311 3.510 50 0 DHAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1sccc1C ZINC000058227885 184090864 /nfs/dbraw/zinc/09/08/64/184090864.db2.gz UCSGAMRSKBZAMT-UHFFFAOYSA-N 0 0 308.790 3.921 50 0 DHAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(C)cn1 ZINC000058227729 184091098 /nfs/dbraw/zinc/09/10/98/184091098.db2.gz AMTWFYFNXYKISU-WMZOPIPTSA-N 0 0 309.413 3.583 50 0 DHAARN Cc1ccc(CC(=O)N([C@@H](C)c2ccccc2F)C2CC2)cn1 ZINC000058123601 184077718 /nfs/dbraw/zinc/07/77/18/184077718.db2.gz LTXHDRGONYJTMW-AWEZNQCLSA-N 0 0 312.388 3.824 50 0 DHAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C)cc1Cl ZINC000058160611 184082001 /nfs/dbraw/zinc/08/20/01/184082001.db2.gz VZRHZZJQPVOEMN-INIZCTEOSA-N 0 0 302.805 3.890 50 0 DHAARN Cc1cc2nc(N(C)Cc3ccc(F)cc3)c3ccccc3n2n1 ZINC000058355685 184107822 /nfs/dbraw/zinc/10/78/22/184107822.db2.gz LLDUMWDGDACAFQ-UHFFFAOYSA-N 0 0 320.371 3.966 50 0 DHAARN O=S(=O)(c1ccccc1-c1ccccc1)N1CCCCCC1 ZINC000058355589 184107945 /nfs/dbraw/zinc/10/79/45/184107945.db2.gz CUYWGHDYAOZTMM-UHFFFAOYSA-N 0 0 315.438 3.918 50 0 DHAARN Cc1nnc([C@@H](C)Sc2nc(C)c(Cc3ccccc3)[nH]2)o1 ZINC000058357682 184108924 /nfs/dbraw/zinc/10/89/24/184108924.db2.gz RZJDMPZQTKAEIJ-LLVKDONJSA-N 0 0 314.414 3.854 50 0 DHAARN Cc1c(C(=O)N(C)C2CCCCCC2)[nH]c2c1C(=O)CCC2 ZINC000058357535 184109053 /nfs/dbraw/zinc/10/90/53/184109053.db2.gz XRQHKFBJCZPHMA-UHFFFAOYSA-N 0 0 302.418 3.637 50 0 DHAARN O=C1NCCCC[C@@H]1Sc1nc(-c2ccccc2)cs1 ZINC000058366692 184109321 /nfs/dbraw/zinc/10/93/21/184109321.db2.gz LXSWLJASPOTWAJ-ZDUSSCGKSA-N 0 0 304.440 3.571 50 0 DHAARN C[C@H]1CCCN(C(=O)CNc2ccc3c4c(cccc42)CC3)C1 ZINC000058380446 184110956 /nfs/dbraw/zinc/11/09/56/184110956.db2.gz PHYKVXJRWSUVHH-AWEZNQCLSA-N 0 0 308.425 3.609 50 0 DHAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCCCc2ccccc21 ZINC000058391786 184111018 /nfs/dbraw/zinc/11/10/18/184111018.db2.gz SHDTVOFKIBFMMM-UHFFFAOYSA-N 0 0 318.376 3.511 50 0 DHAARN Cc1cccnc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000058245967 184094195 /nfs/dbraw/zinc/09/41/95/184094195.db2.gz MOHGNCRWLNBMHB-INIZCTEOSA-N 0 0 313.376 3.768 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCc2cccc3cccnc32)c1 ZINC000058245818 184094254 /nfs/dbraw/zinc/09/42/54/184094254.db2.gz IVJGAVLTJKNMLZ-UHFFFAOYSA-N 0 0 319.364 3.759 50 0 DHAARN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2CCC2)c1 ZINC000058246045 184094462 /nfs/dbraw/zinc/09/44/62/184094462.db2.gz ITJKESIHPOLEIK-UHFFFAOYSA-N 0 0 308.809 3.559 50 0 DHAARN COc1cccc(SCC(=O)N(C)Cc2cccs2)c1 ZINC000058264266 184095608 /nfs/dbraw/zinc/09/56/08/184095608.db2.gz DBVSMPPIJXIXCG-UHFFFAOYSA-N 0 0 307.440 3.507 50 0 DHAARN Cc1noc2ncc(C(=O)N(C3CC3)C3CCC(C)CC3)cc12 ZINC000058282580 184099778 /nfs/dbraw/zinc/09/97/78/184099778.db2.gz JVTFDYZQKKFTGZ-UHFFFAOYSA-N 0 0 313.401 3.715 50 0 DHAARN O=C(NCc1ccncc1)c1ccc(Sc2ccccn2)cc1 ZINC000058293921 184101953 /nfs/dbraw/zinc/10/19/53/184101953.db2.gz JLPDLGKEEDETFA-UHFFFAOYSA-N 0 0 321.405 3.558 50 0 DHAARN CSc1cc2c(cc1NC(=O)c1sccc1C)OCCO2 ZINC000058310290 184103893 /nfs/dbraw/zinc/10/38/93/184103893.db2.gz MVJCUYCEAIPOKR-UHFFFAOYSA-N 0 0 321.423 3.802 50 0 DHAARN Cc1cc(NCc2ccc(-n3ccnc3)nc2)nc2ccccc12 ZINC000058316703 184104971 /nfs/dbraw/zinc/10/49/71/184104971.db2.gz CQLZQANGUWACMJ-UHFFFAOYSA-N 0 0 315.380 3.736 50 0 DHAARN O=C([C@H]1C[C@@H]1c1cccc(Br)c1)N1CCCCC1 ZINC000058326502 184105631 /nfs/dbraw/zinc/10/56/31/184105631.db2.gz PSDDHHFONWRMEI-KGLIPLIRSA-N 0 0 308.219 3.565 50 0 DHAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc[nH]1 ZINC000058458169 184119420 /nfs/dbraw/zinc/11/94/20/184119420.db2.gz KCIISTOCDLABKF-UHFFFAOYSA-N 0 0 309.394 3.954 50 0 DHAARN CCSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 ZINC000058635252 184125682 /nfs/dbraw/zinc/12/56/82/184125682.db2.gz GMYCOVSIUDMBBW-CHWSQXEVSA-N 0 0 320.462 3.514 50 0 DHAARN Cc1ccc(F)cc1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000060350841 184146707 /nfs/dbraw/zinc/14/67/07/184146707.db2.gz KNJSBTWZTWVCGK-UHFFFAOYSA-N 0 0 312.266 3.738 50 0 DHAARN COc1cc(C)cc2c1OCC[C@@H]2NC(=O)Nc1ccccc1 ZINC000060358437 184147071 /nfs/dbraw/zinc/14/70/71/184147071.db2.gz MZLPEZKULPOAJD-HNNXBMFYSA-N 0 0 312.369 3.649 50 0 DHAARN Cc1occc1C(=O)Nc1cc(-c2c(F)cccc2F)n[nH]1 ZINC000060363936 184147229 /nfs/dbraw/zinc/14/72/29/184147229.db2.gz PEWNIKYXTQLFJB-UHFFFAOYSA-N 0 0 303.268 3.509 50 0 DHAARN CCCOCc1ccccc1CNc1cc(Cl)nc(C)n1 ZINC000060372296 184147799 /nfs/dbraw/zinc/14/77/99/184147799.db2.gz AOJINDRIDLFEBU-UHFFFAOYSA-N 0 0 305.809 3.977 50 0 DHAARN CN(Cc1ccc(Cl)s1)C(=O)CCc1ccccc1O ZINC000060459683 184149487 /nfs/dbraw/zinc/14/94/87/184149487.db2.gz NOEGKMNVLNCMOR-UHFFFAOYSA-N 0 0 309.818 3.698 50 0 DHAARN Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCCCC1 ZINC000059370395 184138068 /nfs/dbraw/zinc/13/80/68/184138068.db2.gz OSURQAYQHHBWOE-UHFFFAOYSA-N 0 0 303.837 3.879 50 0 DHAARN CC(C)Cc1noc(CNc2cccc(OC(F)(F)F)c2)n1 ZINC000059800097 184141190 /nfs/dbraw/zinc/14/11/90/184141190.db2.gz MONVZGHBOGLPMY-UHFFFAOYSA-N 0 0 315.295 3.779 50 0 DHAARN Clc1ncnc2c(Br)cc(Br)cc12 ZINC000060726118 184154908 /nfs/dbraw/zinc/15/49/08/184154908.db2.gz PUGXZUHUYQNRIF-UHFFFAOYSA-N 0 0 322.387 3.808 50 0 DHAARN COc1ccccc1CCC(=O)Nc1cccc2c1ccn2C ZINC000062001349 184200700 /nfs/dbraw/zinc/20/07/00/184200700.db2.gz XCZSYSTWUUHILN-UHFFFAOYSA-N 0 0 308.381 3.758 50 0 biogenic DHAARN O=C(NC1(c2ccc(F)cc2)CCC1)c1cnc2ccccc2n1 ZINC000063338368 184280773 /nfs/dbraw/zinc/28/07/73/184280773.db2.gz SGZNDKSAMGOQHN-UHFFFAOYSA-N 0 0 321.355 3.578 50 0 DHAARN Cc1cc(NC(=O)COc2c(C)cccc2C)nc(C(C)C)n1 ZINC000063441007 184281784 /nfs/dbraw/zinc/28/17/84/184281784.db2.gz LJBKBGPDFXITGZ-UHFFFAOYSA-N 0 0 313.401 3.543 50 0 DHAARN Cc1onc(-c2cccnc2)c1C(=O)NC[C@H](C)c1ccccc1 ZINC000064472103 184297933 /nfs/dbraw/zinc/29/79/33/184297933.db2.gz JQFMBPGPDQEYMD-ZDUSSCGKSA-N 0 0 321.380 3.579 50 0 DHAARN CCCc1cc(NCc2c(C)cc(C)cc2C)n2ncnc2n1 ZINC000063736288 184287252 /nfs/dbraw/zinc/28/72/52/184287252.db2.gz NFXXKIRRLMKKSU-UHFFFAOYSA-N 0 0 309.417 3.614 50 0 DHAARN Cc1cnc(N[C@H]2CCCc3ccccc32)nc1-c1cnn(C)c1 ZINC000063855415 184289601 /nfs/dbraw/zinc/28/96/01/184289601.db2.gz BWOGBGKFKSPIDI-KRWDZBQOSA-N 0 0 319.412 3.675 50 0 DHAARN Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000064579777 184300638 /nfs/dbraw/zinc/30/06/38/184300638.db2.gz FMXMSEIERYCTRQ-CQSZACIVSA-N 0 0 304.777 3.922 50 0 DHAARN Cc1nccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)n1 ZINC000063981042 184291260 /nfs/dbraw/zinc/29/12/60/184291260.db2.gz MOIDOTXWCNXGKH-UHFFFAOYSA-N 0 0 310.382 3.524 50 0 DHAARN COc1ccccc1Oc1ncccc1CNCc1cccnc1 ZINC000064015524 184291307 /nfs/dbraw/zinc/29/13/07/184291307.db2.gz GGGUITCMBIVXAI-UHFFFAOYSA-N 0 0 321.380 3.567 50 0 DHAARN CCn1ncc(Cl)c1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000064579965 184300658 /nfs/dbraw/zinc/30/06/58/184300658.db2.gz PMXOPLWYPKRCQE-AWEZNQCLSA-N 0 0 321.783 3.673 50 0 DHAARN CCn1nccc1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000064579792 184300673 /nfs/dbraw/zinc/30/06/73/184300673.db2.gz LVGIIXWVTRMIFL-AWEZNQCLSA-N 0 0 303.793 3.534 50 0 DHAARN C[C@H](OC(=O)C=C1CCCCC1)C(=O)N(C)C1CCCCC1 ZINC000064128798 184292641 /nfs/dbraw/zinc/29/26/41/184292641.db2.gz PLDZBPBFWXJEOL-AWEZNQCLSA-N 0 0 307.434 3.600 50 0 DHAARN CSc1cccc(NC(=O)c2cccn2-c2cccnc2)c1 ZINC000064839128 184304235 /nfs/dbraw/zinc/30/42/35/184304235.db2.gz QQVNGSWPGGTQQS-UHFFFAOYSA-N 0 0 309.394 3.847 50 0 DHAARN CC[C@@H](NC(=O)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000064986940 184308061 /nfs/dbraw/zinc/30/80/61/184308061.db2.gz IOEWJHILVJUWLZ-MRXNPFEDSA-N 0 0 311.381 3.729 50 0 DHAARN O[C@H](Cn1c2ccccc2nc1[C@@H]1CCCO1)c1ccccc1 ZINC000065005823 184308439 /nfs/dbraw/zinc/30/84/39/184308439.db2.gz PUEOZVNZXIRZHP-MSOLQXFVSA-N 0 0 308.381 3.621 50 0 DHAARN CC[C@H](C)NC(=O)C1(c2ccc(NC(C)=O)cc2)CCCCC1 ZINC000065027398 184308727 /nfs/dbraw/zinc/30/87/27/184308727.db2.gz IKCPCRZXRAFKBJ-AWEZNQCLSA-N 0 0 316.445 3.762 50 0 DHAARN COC(=O)c1cc(Nc2ccc(C(C)=O)cc2)c2ccccc2n1 ZINC000065033543 184308976 /nfs/dbraw/zinc/30/89/76/184308976.db2.gz MPEHCDPMRIMLHD-UHFFFAOYSA-N 0 0 320.348 3.968 50 0 DHAARN CC(=O)c1cccc(Oc2nc3ccccc3n3c(C)nnc23)c1 ZINC000065096489 184310621 /nfs/dbraw/zinc/31/06/21/184310621.db2.gz JWYDUGSUZNVABY-UHFFFAOYSA-N 0 0 318.336 3.581 50 0 DHAARN COc1cccc(Oc2nc3ccc(C)cc3n3c(C)nnc23)c1 ZINC000065096497 184310881 /nfs/dbraw/zinc/31/08/81/184310881.db2.gz UUAUDNLDUMWDAA-UHFFFAOYSA-N 0 0 320.352 3.695 50 0 DHAARN Cc1nc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc2o1 ZINC000065149590 184311437 /nfs/dbraw/zinc/31/14/37/184311437.db2.gz YGVJHFGXRNFULK-UHFFFAOYSA-N 0 0 309.300 3.916 50 0 DHAARN CCn1cc2c3c1cccc3CN(C(=O)c1cccc(F)c1)CC2 ZINC000065148621 184311762 /nfs/dbraw/zinc/31/17/62/184311762.db2.gz DEBOWLGGKGGRKC-UHFFFAOYSA-N 0 0 322.383 3.999 50 0 DHAARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1ccoc1 ZINC000065149377 184311796 /nfs/dbraw/zinc/31/17/96/184311796.db2.gz GXKVOOWDINIWBQ-UHFFFAOYSA-N 0 0 315.354 3.829 50 0 DHAARN CC[C@H](C)NC(=O)c1cccc(-c2nc3cccnc3n2CC)c1 ZINC000065172684 184313740 /nfs/dbraw/zinc/31/37/40/184313740.db2.gz XSEMWMYEYMPXCL-ZDUSSCGKSA-N 0 0 322.412 3.647 50 0 DHAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cccnc2)nc1 ZINC000065173726 184313950 /nfs/dbraw/zinc/31/39/50/184313950.db2.gz UFRREELZLFNJJB-UHFFFAOYSA-N 0 0 323.783 3.727 50 0 DHAARN Fc1cccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)c1 ZINC000065185349 184314084 /nfs/dbraw/zinc/31/40/84/184314084.db2.gz OUHXXLXDRMEWEM-UHFFFAOYSA-N 0 0 322.299 3.517 50 0 DHAARN COc1cccc(CNc2nc(-c3ccc(C)cc3)nnc2C)c1 ZINC000065195823 184314158 /nfs/dbraw/zinc/31/41/58/184314158.db2.gz OEKIBQFICJJFGB-UHFFFAOYSA-N 0 0 320.396 3.776 50 0 DHAARN CCn1cc(-c2ccncc2)cc1C(=O)NCc1cccc(F)c1 ZINC000065209777 184314579 /nfs/dbraw/zinc/31/45/79/184314579.db2.gz RTHIOTVRIIIOED-UHFFFAOYSA-N 0 0 323.371 3.639 50 0 DHAARN O=C(Cc1nnc(-c2ccsc2)o1)Nc1ccc(Cl)cc1 ZINC000065214124 184314759 /nfs/dbraw/zinc/31/47/59/184314759.db2.gz KOJFSSHVSRSFNY-UHFFFAOYSA-N 0 0 319.773 3.633 50 0 DHAARN CCc1nccn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000065224668 184315555 /nfs/dbraw/zinc/31/55/55/184315555.db2.gz PJOUHKZGIOCPGT-UHFFFAOYSA-N 0 0 322.290 3.563 50 0 DHAARN CCCOC(=O)c1nc2ccccc2nc1NCc1ccccc1 ZINC000064580507 184301166 /nfs/dbraw/zinc/30/11/66/184301166.db2.gz QDUDIYWVAXBWQM-UHFFFAOYSA-N 0 0 321.380 3.809 50 0 DHAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)cc1C ZINC000064580932 184301257 /nfs/dbraw/zinc/30/12/57/184301257.db2.gz KMNLGBXJDIWNGE-UHFFFAOYSA-N 0 0 309.344 3.881 50 0 DHAARN Cc1cc(C)cc(-n2ccn3cc(-c4ccccc4)nc3c2=O)c1 ZINC000064670299 184302190 /nfs/dbraw/zinc/30/21/90/184302190.db2.gz GJUOHDHYQGBXFV-UHFFFAOYSA-N 0 0 315.376 3.769 50 0 DHAARN O=C1C[C@@H](c2ccccc2Cl)c2cnn(-c3ccccc3)c2N1 ZINC000064667202 184302285 /nfs/dbraw/zinc/30/22/85/184302285.db2.gz AATUHMLZUNRAOC-AWEZNQCLSA-N 0 0 323.783 4.000 50 0 DHAARN Cc1c(-c2noc(C3CCCCC3)n2)nnn1-c1ccccc1 ZINC000065236319 184316975 /nfs/dbraw/zinc/31/69/75/184316975.db2.gz YRYWYIIRXVQKMC-UHFFFAOYSA-N 0 0 309.373 3.673 50 0 DHAARN Cn1cnc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc21 ZINC000065240587 184317611 /nfs/dbraw/zinc/31/76/11/184317611.db2.gz VNTHJNCCGLATHB-UHFFFAOYSA-N 0 0 310.744 3.944 50 0 DHAARN Cc1ccc(CC(=O)N2CCc3cc(-c4ccno4)ccc32)cc1 ZINC000065247327 184318043 /nfs/dbraw/zinc/31/80/43/184318043.db2.gz AOEDENCUKWRSNG-UHFFFAOYSA-N 0 0 318.376 3.782 50 0 DHAARN Cc1ccc(C(=O)N2CCc3[nH]cnc3C23CCCCC3)s1 ZINC000065293148 184324051 /nfs/dbraw/zinc/32/40/51/184324051.db2.gz CBLZTKVTWOQOAK-UHFFFAOYSA-N 0 0 315.442 3.638 50 0 biogenic DHAARN Cc1ccc2c(C[NH2+]C3CCC(C)CC3)c(C(=O)[O-])n(C)c2c1 ZINC000065329462 184324845 /nfs/dbraw/zinc/32/48/45/184324845.db2.gz OGDRSHAROJGRNA-UHFFFAOYSA-N 0 0 314.429 3.853 50 0 DHAARN C=Cc1cccc([C@@H]2CC(=O)Nc3cc(OC)cc(OC)c32)c1 ZINC000065370109 184329171 /nfs/dbraw/zinc/32/91/71/184329171.db2.gz PHKSFRZZFAXXAN-HNNXBMFYSA-N 0 0 309.365 3.821 50 0 DHAARN Nc1c(-c2cccc(Cl)c2)nnc2c(-c3ccccc3)cnn21 ZINC000065365618 184329502 /nfs/dbraw/zinc/32/95/02/184329502.db2.gz TVWBSVWRVZGNLH-UHFFFAOYSA-N 0 0 321.771 3.694 50 0 DHAARN C[C@@H](Cc1ccccc1F)NCc1nc(C2CCCCC2)no1 ZINC000065375370 184331250 /nfs/dbraw/zinc/33/12/50/184331250.db2.gz ICVWJSVKEKAKQO-ZDUSSCGKSA-N 0 0 317.408 3.977 50 0 DHAARN CCOc1ccc(NC(=O)N(C)Cc2csc(C)n2)cc1C ZINC000065418762 184341375 /nfs/dbraw/zinc/34/13/75/184341375.db2.gz NRDBTBVUAUYQGV-UHFFFAOYSA-N 0 0 319.430 3.823 50 0 DHAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1c(C)n[nH]c1C ZINC000065446816 184345986 /nfs/dbraw/zinc/34/59/86/184345986.db2.gz WKAXSZLGFDOJOK-ZDUSSCGKSA-N 0 0 316.405 3.763 50 0 DHAARN CSCC[C@@H]1CC(=O)Nc2c1cnn2CC1CCCCC1 ZINC000065454224 184347405 /nfs/dbraw/zinc/34/74/05/184347405.db2.gz GBOOUVIDHBUGTE-CYBMUJFWSA-N 0 0 307.463 3.642 50 0 DHAARN Cc1cnc(CNCc2cnc(-c3ccccc3C)s2)cn1 ZINC000065470701 184350609 /nfs/dbraw/zinc/35/06/09/184350609.db2.gz RMIXYBPFNQXRSC-UHFFFAOYSA-N 0 0 310.426 3.507 50 0 DHAARN COc1ccc2c(CC(=O)N3CCC[C@@H](C)CC3)coc2c1 ZINC000065474295 184351583 /nfs/dbraw/zinc/35/15/83/184351583.db2.gz ZISAPXRKBYGYST-CYBMUJFWSA-N 0 0 301.386 3.633 50 0 DHAARN O=C(/C=C/c1nc2ccccc2o1)Nc1cccc2[nH]ccc21 ZINC000065476986 184352055 /nfs/dbraw/zinc/35/20/55/184352055.db2.gz ISYZCINYEWTZFX-CMDGGOBGSA-N 0 0 303.321 3.961 50 0 DHAARN COc1ccc(-c2nnc(CSc3ccc(O)cc3)o2)cc1 ZINC000065607860 184372024 /nfs/dbraw/zinc/37/20/24/184372024.db2.gz ZQUJCNJIVVCVHY-UHFFFAOYSA-N 0 0 314.366 3.743 50 0 DHAARN COc1ccc([C@H]2C[C@H]2C(=O)N(Cc2ccco2)C2CC2)cc1 ZINC000065608614 184372826 /nfs/dbraw/zinc/37/28/26/184372826.db2.gz IXDTUSULBZSATQ-QZTJIDSGSA-N 0 0 311.381 3.583 50 0 DHAARN COc1cccc(/C=C/C(=O)Nc2cc(C)ccc2NC(C)=O)c1 ZINC000065500780 184355640 /nfs/dbraw/zinc/35/56/40/184355640.db2.gz FTXXJKSOBJDHTF-CSKARUKUSA-N 0 0 324.380 3.614 50 0 DHAARN O=C(NC[C@H]1CCCOC1)c1ccccc1Nc1ccccc1 ZINC000065516118 184358141 /nfs/dbraw/zinc/35/81/41/184358141.db2.gz YKYSVAQXUJIEKX-OAHLLOKOSA-N 0 0 310.397 3.587 50 0 DHAARN CCn1nc(C)c(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1C ZINC000065626948 184376156 /nfs/dbraw/zinc/37/61/56/184376156.db2.gz BMKQMCBRXBIHLW-NSHDSACASA-N 0 0 311.385 3.757 50 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/nfs/dbraw/zinc/26/88/65/563268865.db2.gz YVTYUDQJUXMFDG-UHFFFAOYSA-N 0 0 300.383 3.591 50 0 DHAARN Cc1c(C(=O)NC2CCCCC2)oc2c1C(=O)CC(C)(C)C2 ZINC000000613111 563269427 /nfs/dbraw/zinc/26/94/27/563269427.db2.gz MIHGOKMOEVVOMW-UHFFFAOYSA-N 0 0 303.402 3.806 50 0 DHAARN Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3o2)no1 ZINC000000615427 563269972 /nfs/dbraw/zinc/26/99/72/563269972.db2.gz LEIXZLDHSDGLSE-UHFFFAOYSA-N 0 0 323.761 3.508 50 0 DHAARN O=C(CSc1ncccn1)Nc1ccc(Cl)cc1Cl ZINC000000617731 563270314 /nfs/dbraw/zinc/27/03/14/563270314.db2.gz SAJAZVMHVMUDLR-UHFFFAOYSA-N 0 0 314.197 3.514 50 0 DHAARN COc1ccc(OC)c(NC(=S)Nc2ccccc2C)c1 ZINC000000618507 563270633 /nfs/dbraw/zinc/27/06/33/563270633.db2.gz AOKYVCWVDWBZNF-UHFFFAOYSA-N 0 0 302.399 3.821 50 0 DHAARN COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000000618665 563270678 /nfs/dbraw/zinc/27/06/78/563270678.db2.gz ZTRONNUTSZLVMA-SNVBAGLBSA-N 0 0 302.399 3.529 50 0 DHAARN CCOc1ccccc1NC(=S)Nc1cccc(OC)c1 ZINC000000619769 563271326 /nfs/dbraw/zinc/27/13/26/563271326.db2.gz BROVDUCKFAIHEU-UHFFFAOYSA-N 0 0 302.399 3.903 50 0 DHAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccn1 ZINC000000800775 563271749 /nfs/dbraw/zinc/27/17/49/563271749.db2.gz BROSZMJOGNUDAM-UHFFFAOYSA-N 0 0 322.364 3.724 50 0 DHAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CCC(=O)O2 ZINC000000902134 563272823 /nfs/dbraw/zinc/27/28/23/563272823.db2.gz CNIXJDVUMXTEKX-CTRAYCPCSA-N 0 0 302.414 3.814 50 0 DHAARN Cc1cccc(N2C(=O)S[C@H](Nc3ccccc3C)C2=O)c1 ZINC000000975299 563273009 /nfs/dbraw/zinc/27/30/09/563273009.db2.gz KNJQCGKYGZXTDA-HNNXBMFYSA-N 0 0 312.394 3.941 50 0 DHAARN COc1ccc(CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000001000138 563273747 /nfs/dbraw/zinc/27/37/47/563273747.db2.gz JDDHHOXSVRSDQC-UHFFFAOYSA-N 0 0 305.377 3.707 50 0 biogenic DHAARN CSc1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 ZINC000001045825 563275285 /nfs/dbraw/zinc/27/52/85/563275285.db2.gz KMIGDEFTTLCRAN-UHFFFAOYSA-N 0 0 320.226 3.819 50 0 DHAARN O=C1CS[C@H](c2cccnc2)N1Cc1c(F)cccc1Cl ZINC000001045876 563275777 /nfs/dbraw/zinc/27/57/77/563275777.db2.gz ZXDWQWPSCCMVQI-OAHLLOKOSA-N 0 0 322.792 3.648 50 0 DHAARN O=C(Nc1ccc(Br)cc1Cl)c1ccco1 ZINC000001054906 563275818 /nfs/dbraw/zinc/27/58/18/563275818.db2.gz FJVJYDYRBANKBZ-UHFFFAOYSA-N 0 0 300.539 3.948 50 0 DHAARN O=Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001060176 563276453 /nfs/dbraw/zinc/27/64/53/563276453.db2.gz HFPSMZWUSHRCIV-UHFFFAOYSA-N 0 0 324.163 3.823 50 0 DHAARN O=C1S/C(=C\c2ccco2)C(=O)N1CCCc1ccccc1 ZINC000001126095 563277688 /nfs/dbraw/zinc/27/76/88/563277688.db2.gz QYMBNKJCFSTIAQ-QINSGFPZSA-N 0 0 313.378 3.949 50 0 DHAARN COc1ccccc1CC(=O)N(C)[C@H](C)c1sc(C)nc1C ZINC000071883172 563277899 /nfs/dbraw/zinc/27/78/99/563277899.db2.gz XDXHCGQLJOBFNQ-GFCCVEGCSA-N 0 0 318.442 3.531 50 0 DHAARN CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000071884286 563279228 /nfs/dbraw/zinc/27/92/28/563279228.db2.gz WLJSCOWBENDGHN-LSDHHAIUSA-N 0 0 318.779 3.636 50 0 DHAARN Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1C ZINC000001318013 563281516 /nfs/dbraw/zinc/28/15/16/563281516.db2.gz FZAYVAAGNHTEDS-OAHLLOKOSA-N 0 0 312.394 3.941 50 0 DHAARN O[C@H](CNc1ncccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000071887905 563284121 /nfs/dbraw/zinc/28/41/21/563284121.db2.gz MYZQSNPPORDSQB-GFCCVEGCSA-N 0 0 316.710 3.899 50 0 DHAARN O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001687057 563291315 /nfs/dbraw/zinc/29/13/15/563291315.db2.gz RZXLPPRPEOUENN-UHFFFAOYSA-N 0 0 303.166 3.761 50 0 investigational DHAARN O=C1CC2(CCCC2)CC(=O)N1c1ccc(Br)cc1 ZINC000001739781 563294373 /nfs/dbraw/zinc/29/43/73/563294373.db2.gz AYSZRRLBVIXSCB-UHFFFAOYSA-N 0 0 322.202 3.663 50 0 DHAARN C[C@@H](NC(=O)CCC(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000001794707 563296581 /nfs/dbraw/zinc/29/65/81/563296581.db2.gz ZIOLALPBWHSEBJ-HZPDHXFCSA-N 0 0 324.424 3.521 50 0 DHAARN CCCCc1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 ZINC000001916361 563296887 /nfs/dbraw/zinc/29/68/87/563296887.db2.gz OQZRTXYERPFKHX-UHFFFAOYSA-N 0 0 319.430 3.515 50 0 DHAARN Fc1cccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)c1 ZINC000071889760 563297427 /nfs/dbraw/zinc/29/74/27/563297427.db2.gz JUEAJUVVTKNJQA-UHFFFAOYSA-N 0 0 324.355 3.972 50 0 DHAARN COc1cc(OC)cc(C(=O)Oc2ccc3ccc(O)cc3c2)c1 ZINC000002069616 563298885 /nfs/dbraw/zinc/29/88/85/563298885.db2.gz OHBCEAOFXXFHTG-UHFFFAOYSA-N 0 0 324.332 3.782 50 0 DHAARN C[C@H]1C[C@H]1c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 ZINC000071889992 563299531 /nfs/dbraw/zinc/29/95/31/563299531.db2.gz FXYPRXFGSDONIP-SMDDNHRTSA-N 0 0 318.804 3.943 50 0 DHAARN CCCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](C)C2 ZINC000002082345 563299548 /nfs/dbraw/zinc/29/95/48/563299548.db2.gz OANODSZPJZZMAX-JTQLQIEISA-N 0 0 321.442 3.788 50 0 DHAARN CCCCOc1c(Cl)cc(/C=C2\N=C(C)OC2=O)cc1OC ZINC000002160016 563301032 /nfs/dbraw/zinc/30/10/32/563301032.db2.gz QOFKAFBBKCTMAR-JYRVWZFOSA-N 0 0 323.776 3.844 50 0 DHAARN CSc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1 ZINC000002340942 563303005 /nfs/dbraw/zinc/30/30/05/563303005.db2.gz GJOCNGMXKJQPTM-UHFFFAOYSA-N 0 0 324.384 3.889 50 0 DHAARN O=C(c1ccc(CN2CCC2)cc1)c1ccc(Cl)cc1F ZINC000002514637 563305074 /nfs/dbraw/zinc/30/50/74/563305074.db2.gz KOJFDFXLDDLYPB-UHFFFAOYSA-N 0 0 303.764 3.916 50 0 DHAARN O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CCC1 ZINC000002515631 563306332 /nfs/dbraw/zinc/30/63/32/563306332.db2.gz XAXHFCGLWBIMGG-UHFFFAOYSA-N 0 0 303.764 3.916 50 0 DHAARN O=C1CCCCN1c1cc(C(F)(F)F)ccc1Br ZINC000002524342 563307877 /nfs/dbraw/zinc/30/78/77/563307877.db2.gz ZUXYXQMGYJUMLU-UHFFFAOYSA-N 0 0 322.124 3.985 50 0 DHAARN Cc1ccc(N2C(=S)N=NC2COc2ccccc2)c(C)c1 ZINC000002544684 563308269 /nfs/dbraw/zinc/30/82/69/563308269.db2.gz ZOGLRELNAWAHIZ-UHFFFAOYSA-N 0 0 311.410 3.752 50 0 DHAARN O=C(NC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000002532674 563308544 /nfs/dbraw/zinc/30/85/44/563308544.db2.gz PYRHGFGLYHKQFP-UHFFFAOYSA-N 0 0 309.152 3.955 50 0 DHAARN CC(C)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000002558155 563309058 /nfs/dbraw/zinc/30/90/58/563309058.db2.gz KPXIBWGPZSPABK-FXAWDEMLSA-N 0 0 312.409 3.983 50 0 biogenic,in-vitro DHAARN COC(=O)c1cccc(COc2ccc(Br)cc2)c1 ZINC000002578456 563309667 /nfs/dbraw/zinc/30/96/67/563309667.db2.gz HVJFHVVOXJJHQC-UHFFFAOYSA-N 0 0 321.170 3.815 50 0 DHAARN CCOC(=O)CCCCCC(=O)c1cc(F)c(F)c(F)c1F ZINC000002580529 563310645 /nfs/dbraw/zinc/31/06/45/563310645.db2.gz KFVXZIZFESYBMM-UHFFFAOYSA-N 0 0 320.282 3.939 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)Nc1ccccc1)CCC2 ZINC000002737385 563311538 /nfs/dbraw/zinc/31/15/38/563311538.db2.gz LHTFMLLZZVPDNC-UHFFFAOYSA-N 0 0 316.382 3.667 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000002734758 563311783 /nfs/dbraw/zinc/31/17/83/563311783.db2.gz XUAFZGXERCZURM-GFCCVEGCSA-N 0 0 319.430 3.632 50 0 DHAARN Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000002707854 563311914 /nfs/dbraw/zinc/31/19/14/563311914.db2.gz YPVKJIRPEQUUML-UHFFFAOYSA-N 0 0 314.816 3.611 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000002753973 563312526 /nfs/dbraw/zinc/31/25/26/563312526.db2.gz CYBYGKOPONHRBG-QFBILLFUSA-N 0 0 311.425 3.982 50 0 DHAARN COc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000010541872 563313852 /nfs/dbraw/zinc/31/38/52/563313852.db2.gz MXYLCLUSTLTTJW-UHFFFAOYSA-N 0 0 301.773 3.942 50 0 DHAARN COc1cc(C)c(S(=O)(=O)Oc2ccc(C)cc2C)cc1C ZINC000002836451 563314186 /nfs/dbraw/zinc/31/41/86/563314186.db2.gz VVLOBJAZNLZXGH-UHFFFAOYSA-N 0 0 320.410 3.697 50 0 DHAARN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC(C)C)cc1 ZINC000002845495 563314746 /nfs/dbraw/zinc/31/47/46/563314746.db2.gz NGYDJAXSNPRMJB-UHFFFAOYSA-N 0 0 309.365 3.512 50 0 DHAARN CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC ZINC000002858291 563315660 /nfs/dbraw/zinc/31/56/60/563315660.db2.gz AZBSARMVWSOEPF-UHFFFAOYSA-N 0 0 316.357 3.747 50 0 aggregator DHAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N1CCCCCC1 ZINC000002876405 563316260 /nfs/dbraw/zinc/31/62/60/563316260.db2.gz QCLYXDOZKRRZJN-UHFFFAOYSA-N 0 0 324.424 3.637 50 0 DHAARN CCSc1ncc(Cl)c(C(=O)Nc2ccccc2OC)n1 ZINC000002885171 563316767 /nfs/dbraw/zinc/31/67/67/563316767.db2.gz AQCFQZXPZQNIOW-UHFFFAOYSA-N 0 0 323.805 3.503 50 0 DHAARN Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010544437 563317643 /nfs/dbraw/zinc/31/76/43/563317643.db2.gz PQLLSPOROWNXQF-HNNXBMFYSA-N 0 0 319.408 3.891 50 0 DHAARN COc1cccc(OC)c1OCCOc1ccc(Cl)cc1 ZINC000002986827 563319341 /nfs/dbraw/zinc/31/93/41/563319341.db2.gz YJMSQRFENROVIW-UHFFFAOYSA-N 0 0 308.761 3.815 50 0 DHAARN COc1cc(C=O)ccc1OCCOc1cc(C)ccc1Cl ZINC000002985166 563319487 /nfs/dbraw/zinc/31/94/87/563319487.db2.gz BDHBTFZHYKXCKB-UHFFFAOYSA-N 0 0 320.772 3.927 50 0 DHAARN CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002989060 563319937 /nfs/dbraw/zinc/31/99/37/563319937.db2.gz MURVSZPFOJTRAM-LBPRGKRZSA-N 0 0 303.855 3.833 50 0 DHAARN CCCC[C@@H](CC)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000002988339 563320083 /nfs/dbraw/zinc/32/00/83/563320083.db2.gz KKWKIHYYYCZWCJ-OAHLLOKOSA-N 0 0 306.425 3.691 50 0 DHAARN CC(C)c1nnc(CN(Cc2cscn2)c2ccccc2)o1 ZINC000071892954 563323615 /nfs/dbraw/zinc/32/36/15/563323615.db2.gz GXEDXGDXNCUUJA-UHFFFAOYSA-N 0 0 314.414 3.856 50 0 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CCCCN1C[C@H](c2nc3ccccc3n2CCCC)CC1=O ZINC000014095094 563395477 /nfs/dbraw/zinc/39/54/77/563395477.db2.gz NMXWXTUOUMPJEM-OAHLLOKOSA-N 0 0 313.445 3.952 50 0 DHAARN CC(C)Nc1nnc(S[C@@H](C)C(=O)c2ccccc2)s1 ZINC000014113190 563395562 /nfs/dbraw/zinc/39/55/62/563395562.db2.gz NDBQFHYDSGPVJH-JTQLQIEISA-N 0 0 307.444 3.722 50 0 DHAARN CC(C)c1nnc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)[nH]1 ZINC000014112669 563395660 /nfs/dbraw/zinc/39/56/60/563395660.db2.gz PTQQQOXJKZEDPC-QMMMGPOBSA-N 0 0 311.357 3.570 50 0 DHAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(C)CC1 ZINC000014125989 563396432 /nfs/dbraw/zinc/39/64/32/563396432.db2.gz WOXSZOSNUROFBM-UHFFFAOYSA-N 0 0 300.427 3.991 50 0 DHAARN O=C(Nc1ccccc1F)c1ccc(Br)cc1F ZINC000014180191 563396921 /nfs/dbraw/zinc/39/69/21/563396921.db2.gz XAAVEMGCSUUHBB-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN O=c1[nH]c2ccc(-c3csc(-c4ccsc4)n3)cc2o1 ZINC000014167276 563396990 /nfs/dbraw/zinc/39/69/90/563396990.db2.gz RKBOFSMTUVRGPS-UHFFFAOYSA-N 0 0 300.364 3.973 50 0 DHAARN O=C(COc1ccc(Cl)c2ccccc12)NCc1ccco1 ZINC000014185584 563397732 /nfs/dbraw/zinc/39/77/32/563397732.db2.gz VAXFYJHGZYWMGY-UHFFFAOYSA-N 0 0 315.756 3.781 50 0 DHAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cnc2ccccc2n1 ZINC000032810803 563398898 /nfs/dbraw/zinc/39/88/98/563398898.db2.gz WRIPPLRUEWGQPL-RRFJBIMHSA-N 0 0 309.413 3.719 50 0 DHAARN O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000014256162 563399464 /nfs/dbraw/zinc/39/94/64/563399464.db2.gz BRXYNNXPTWWFHS-UHFFFAOYSA-N 0 0 321.707 3.558 50 0 DHAARN CCc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000014255664 563399468 /nfs/dbraw/zinc/39/94/68/563399468.db2.gz CNILAUNKBSOFNK-UHFFFAOYSA-N 0 0 303.427 3.975 50 0 DHAARN C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000032827509 563400241 /nfs/dbraw/zinc/40/02/41/563400241.db2.gz ZVOZCGSOKIYBHV-AWEZNQCLSA-N 0 0 307.397 3.763 50 0 DHAARN CC[C@@H](C)C(=O)Nc1ccc(OC)c(OCc2cccnc2)c1 ZINC000032832246 563401197 /nfs/dbraw/zinc/40/11/97/563401197.db2.gz OUSMHXDHUARPMT-CYBMUJFWSA-N 0 0 314.385 3.654 50 0 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COc1ccc(OCCCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000001778216 563433537 /nfs/dbraw/zinc/43/35/37/563433537.db2.gz SURFBHJSULCRFD-OAHLLOKOSA-N 0 0 313.397 3.732 50 0 DHAARN CCC[C@H](C)NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000029247274 563433675 /nfs/dbraw/zinc/43/36/75/563433675.db2.gz SCYIIINNXUXQGN-AWEZNQCLSA-N 0 0 314.385 3.558 50 0 DHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000029508951 563434421 /nfs/dbraw/zinc/43/44/21/563434421.db2.gz KXXKNSBSQJBFQU-CYBMUJFWSA-N 0 0 324.808 3.678 50 0 DHAARN CCOc1ccc(CNc2ncnc3ccccc32)cc1OC ZINC000029626430 563435367 /nfs/dbraw/zinc/43/53/67/563435367.db2.gz YOVICBFNDPHMST-UHFFFAOYSA-N 0 0 309.369 3.649 50 0 DHAARN C[C@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C[C@H](C)O1 ZINC000029736174 563435483 /nfs/dbraw/zinc/43/54/83/563435483.db2.gz QLNWPLRLOMMCDI-STQMWFEESA-N 0 0 314.429 3.715 50 0 DHAARN COC(=O)c1c(C)cccc1NC(=O)c1cc2ccccc2o1 ZINC000011058486 563436365 /nfs/dbraw/zinc/43/63/65/563436365.db2.gz HATHKBLVYZQKSE-UHFFFAOYSA-N 0 0 309.321 3.780 50 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/nfs/dbraw/zinc/48/98/52/563489852.db2.gz CWKMULDQOWLZNA-UHFFFAOYSA-N 0 0 323.371 3.742 50 0 DHAARN Cc1nnc(-c2ccc(-c3cccc(-n4cccn4)c3)cc2)o1 ZINC000067725909 563489909 /nfs/dbraw/zinc/48/99/09/563489909.db2.gz JGZRCFSVZMTKHJ-UHFFFAOYSA-N 0 0 302.337 3.898 50 0 DHAARN Cc1ccc(-c2cc(O)c3c(c2)CN(CCCF)CCO3)s1 ZINC000067784369 563490300 /nfs/dbraw/zinc/49/03/00/563490300.db2.gz FJMROJJLFWLZPE-UHFFFAOYSA-N 0 0 321.417 3.983 50 0 DHAARN Cc1cc(-c2n[nH]c(C3CC3)n2)c(NC(=O)C(C)(C)C)s1 ZINC000067743854 563490789 /nfs/dbraw/zinc/49/07/89/563490789.db2.gz IOPZBDJFZVIMSG-UHFFFAOYSA-N 0 0 304.419 3.704 50 0 DHAARN CC1=C(Cc2cn([C@@H](C)c3cnn(C)c3)nn2)C(C)(C)CCC1 ZINC000067840854 563492613 /nfs/dbraw/zinc/49/26/13/563492613.db2.gz LKKNCSVTDBGKKK-AWEZNQCLSA-N 0 0 313.449 3.690 50 0 DHAARN Cc1oc(-c2ccccc2C)nc1COc1ccc(C(N)=O)cc1 ZINC000067907959 563493491 /nfs/dbraw/zinc/49/34/91/563493491.db2.gz CBJYMDJQWVMFQA-UHFFFAOYSA-N 0 0 322.364 3.636 50 0 DHAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1cnc(C2CC2)n1 ZINC000067919900 563493586 /nfs/dbraw/zinc/49/35/86/563493586.db2.gz HMCDGPUOGFTZQG-UHFFFAOYSA-N 0 0 314.776 3.821 50 0 DHAARN C[C@@H](c1ccccn1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067967164 563494145 /nfs/dbraw/zinc/49/41/45/563494145.db2.gz FIVODZFYOAIJKP-ZDUSSCGKSA-N 0 0 310.376 3.804 50 0 DHAARN COCC(=O)Nc1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000067934610 563494297 /nfs/dbraw/zinc/49/42/97/563494297.db2.gz KDJGZWSKFYLBII-UHFFFAOYSA-N 0 0 305.761 3.601 50 0 DHAARN FC(F)(F)C(Br)(Br)C(F)(F)F ZINC000071617299 563496916 /nfs/dbraw/zinc/49/69/16/563496916.db2.gz VCRVQFFAKUROKA-UHFFFAOYSA-N 0 0 309.829 3.597 50 0 DHAARN Cc1nccc(-c2cccc(NC(=O)c3ccnc(Cl)c3)c2)n1 ZINC000033125393 563497288 /nfs/dbraw/zinc/49/72/88/563497288.db2.gz AWARCOJDGRJQJI-UHFFFAOYSA-N 0 0 324.771 3.753 50 0 DHAARN CCc1nc2ccccc2c(OCC(=O)Nc2cccc(C)c2)n1 ZINC000033141678 563497926 /nfs/dbraw/zinc/49/79/26/563497926.db2.gz OUSWBUZVULBWFL-UHFFFAOYSA-N 0 0 321.380 3.518 50 0 DHAARN CCN(Cc1c(C)nn(CC)c1C)C(=O)c1ccc(C)c(F)c1 ZINC000033174610 563499795 /nfs/dbraw/zinc/49/97/95/563499795.db2.gz YWVLQTHVEYXPGA-UHFFFAOYSA-N 0 0 317.408 3.630 50 0 DHAARN CCCCSCC(=O)Nc1cccc(NC(=O)NC(C)C)c1 ZINC000033176167 563499985 /nfs/dbraw/zinc/49/99/85/563499985.db2.gz OAFTZCCNNFNTGP-UHFFFAOYSA-N 0 0 323.462 3.688 50 0 DHAARN Cc1cccnc1[C@@H](C)Nc1nccc(CCC(F)(F)F)n1 ZINC000071523752 563500021 /nfs/dbraw/zinc/50/00/21/563500021.db2.gz VFZOEKHHWUJZNF-LLVKDONJSA-N 0 0 310.323 3.848 50 0 DHAARN Cc1ccccc1[C@H]1CCCN1C(=O)NOCc1ccccc1 ZINC000060609137 563502628 /nfs/dbraw/zinc/50/26/28/563502628.db2.gz SAIBSUTYBVNYRE-GOSISDBHSA-N 0 0 310.397 3.973 50 0 DHAARN CCc1nc(-c2ccc(NC(=O)Nc3cccc(C)n3)cc2)no1 ZINC000033257326 563502830 /nfs/dbraw/zinc/50/28/30/563502830.db2.gz UGXWHZCENAKPQK-UHFFFAOYSA-N 0 0 323.356 3.646 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000033264718 563503652 /nfs/dbraw/zinc/50/36/52/563503652.db2.gz WEXXRXPMNRSSGB-CQSZACIVSA-N 0 0 321.424 3.876 50 0 DHAARN CC(C)(C)c1nnc(NCc2c(C3CC3)nc3sccn23)o1 ZINC000097114458 563506312 /nfs/dbraw/zinc/50/63/12/563506312.db2.gz FUTIKEGMWSWJFF-UHFFFAOYSA-N 0 0 317.418 3.566 50 0 DHAARN Cc1nc(CC(=O)N2CCCCC[C@@H]2c2ccco2)cs1 ZINC000076509170 563506622 /nfs/dbraw/zinc/50/66/22/563506622.db2.gz HFYAEBWYTOQUQR-CQSZACIVSA-N 0 0 304.415 3.731 50 0 DHAARN O=[S@](Cc1ccccc1)Cc1ncc(Cl)cc1Cl ZINC000097148213 563506711 /nfs/dbraw/zinc/50/67/11/563506711.db2.gz GAVXONFOFAMJNF-SFHVURJKSA-N 0 0 300.210 3.837 50 0 DHAARN Cc1ncsc1CCC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000077285347 563508205 /nfs/dbraw/zinc/50/82/05/563508205.db2.gz LBWYLEIBPVFKQU-CYBMUJFWSA-N 0 0 318.417 3.539 50 0 DHAARN Cc1ccc2c(c1)[C@H](n1ccnc1-c1nccn1C)CC(C)(C)O2 ZINC000077285021 563508425 /nfs/dbraw/zinc/50/84/25/563508425.db2.gz KVEVTXLGSAVESP-OAHLLOKOSA-N 0 0 322.412 3.743 50 0 DHAARN c1csc(CC[C@H]2CCCCN2Cc2nnc(C3CC3)o2)c1 ZINC000077287720 563508533 /nfs/dbraw/zinc/50/85/33/563508533.db2.gz QHOGGPYRCCJNNE-CQSZACIVSA-N 0 0 317.458 3.996 50 0 DHAARN Cc1ccc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)cc1F ZINC000077303272 563508632 /nfs/dbraw/zinc/50/86/32/563508632.db2.gz TUMFANKETBWMSZ-UHFFFAOYSA-N 0 0 323.371 3.592 50 0 DHAARN CNc1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)ccn1 ZINC000077287911 563508694 /nfs/dbraw/zinc/50/86/94/563508694.db2.gz GLEAJMKULAGNPO-SFHVURJKSA-N 0 0 323.440 3.751 50 0 DHAARN CCCc1ccc2oc(C(=O)N(C)Cc3ncc[nH]3)c(C)c2c1 ZINC000077287469 563508717 /nfs/dbraw/zinc/50/87/17/563508717.db2.gz ULBAKBVHPWFDTP-UHFFFAOYSA-N 0 0 311.385 3.689 50 0 DHAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2cnc3ccccn23)C1 ZINC000077374891 563508916 /nfs/dbraw/zinc/50/89/16/563508916.db2.gz CSUNCSJHHLUIPO-INIZCTEOSA-N 0 0 319.408 3.663 50 0 DHAARN CCn1nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1C ZINC000077438335 563509722 /nfs/dbraw/zinc/50/97/22/563509722.db2.gz HXUBCHZOSHEHBQ-KRWDZBQOSA-N 0 0 315.392 3.718 50 0 DHAARN O=C(CCC(F)(F)F)N1CCC(OCc2ccccc2)CC1 ZINC000077437194 563510008 /nfs/dbraw/zinc/51/00/08/563510008.db2.gz QMCQZJCMHZPRHR-UHFFFAOYSA-N 0 0 315.335 3.537 50 0 DHAARN O=C(Cn1ncc2ccccc21)N1CCC[C@H]1c1ccc(F)cc1 ZINC000077391138 563510233 /nfs/dbraw/zinc/51/02/33/563510233.db2.gz ZVSDKMUONZTGNW-KRWDZBQOSA-N 0 0 323.371 3.539 50 0 DHAARN CCCc1n[nH]cc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077469921 563510978 /nfs/dbraw/zinc/51/09/78/563510978.db2.gz RYHSIMBUQDYPLE-QGZVFWFLSA-N 0 0 315.392 3.869 50 0 DHAARN COCC1(NC(=O)CCCc2ccc(Cl)cc2)CCCC1 ZINC000077439827 563511151 /nfs/dbraw/zinc/51/11/51/563511151.db2.gz VEHABJLEYNFICD-UHFFFAOYSA-N 0 0 309.837 3.738 50 0 DHAARN COc1ccc(OC[C@@H]2CCCN(c3nc(C)cs3)C2)cc1 ZINC000077504036 563511286 /nfs/dbraw/zinc/51/12/86/563511286.db2.gz WMPKKFPBIKGMCB-CQSZACIVSA-N 0 0 318.442 3.756 50 0 DHAARN Cc1ccsc1C(=O)N1CCCC[C@H]1CCn1ccnc1C ZINC000077505208 563511683 /nfs/dbraw/zinc/51/16/83/563511683.db2.gz XOTLOCRIZIBQMK-HNNXBMFYSA-N 0 0 317.458 3.646 50 0 DHAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1 ZINC000077524668 563512066 /nfs/dbraw/zinc/51/20/66/563512066.db2.gz IGBNMZZBHSROBF-KRWDZBQOSA-N 0 0 317.429 3.758 50 0 DHAARN O=C(c1cccc(-n2cccn2)c1)N1CC[C@H]1c1ccc(F)cc1 ZINC000077537740 563512090 /nfs/dbraw/zinc/51/20/90/563512090.db2.gz DXPIPQBHLIUHGS-SFHVURJKSA-N 0 0 321.355 3.599 50 0 DHAARN Cc1ccc([C@H]2C[C@H]2C(=O)NCCCCc2nccs2)s1 ZINC000097212298 563513017 /nfs/dbraw/zinc/51/30/17/563513017.db2.gz DRWQZOUSCWBZFY-QWHCGFSZSA-N 0 0 320.483 3.756 50 0 DHAARN CC(C)[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccncc1 ZINC000097212500 563513163 /nfs/dbraw/zinc/51/31/63/563513163.db2.gz DWEKJSKYMRXZNL-IAGOWNOFSA-N 0 0 301.434 3.753 50 0 DHAARN CC(C)[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccncc1 ZINC000097212499 563513445 /nfs/dbraw/zinc/51/34/45/563513445.db2.gz DWEKJSKYMRXZNL-SJORKVTESA-N 0 0 301.434 3.753 50 0 DHAARN COc1cc([C@H](C)Nc2ccc(C)cc2)ccc1S(C)(=O)=O ZINC000097231434 563514577 /nfs/dbraw/zinc/51/45/77/563514577.db2.gz BBHWRHKBDYULHV-ZDUSSCGKSA-N 0 0 319.426 3.580 50 0 DHAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000033270059 563517974 /nfs/dbraw/zinc/51/79/74/563517974.db2.gz QHHRZRYLWQAKQK-OAHLLOKOSA-N 0 0 314.385 3.784 50 0 DHAARN Clc1ccc(C2(c3nc([C@H]4CCOC4)no3)CCC2)cc1 ZINC000084393177 563520048 /nfs/dbraw/zinc/52/00/48/563520048.db2.gz ZDXXZRHNTCUDJQ-NSHDSACASA-N 0 0 304.777 3.697 50 0 DHAARN CC(=O)N[C@@H](c1ccc(Br)cc1)c1cccc(F)c1 ZINC000085477127 563521206 /nfs/dbraw/zinc/52/12/06/563521206.db2.gz LJEBZIVNLTYBSP-HNNXBMFYSA-N 0 0 322.177 3.814 50 0 DHAARN Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1 ZINC000000073580 563522378 /nfs/dbraw/zinc/52/23/78/563522378.db2.gz UHNUSIKXYYUMEU-UHFFFAOYSA-N 0 0 307.382 3.905 50 0 DHAARN COc1ccc(-c2cnn3c2ncc(-c2ccccc2)c3N)cc1 ZINC000008730751 563523430 /nfs/dbraw/zinc/52/34/30/563523430.db2.gz RHMLYXNBFFPSHN-UHFFFAOYSA-N 0 0 316.364 3.654 50 0 DHAARN COc1ccc(NC(=O)c2ccc(Cl)cc2F)c(OC)c1 ZINC000009737254 563526981 /nfs/dbraw/zinc/52/69/81/563526981.db2.gz AQUVHFQICIGTGO-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN COCc1ccc(C(=O)N(CC(C)(C)C)c2cccnc2)cc1 ZINC000072288235 563526994 /nfs/dbraw/zinc/52/69/94/563526994.db2.gz DDLWXTTVCWCWBR-UHFFFAOYSA-N 0 0 312.413 3.921 50 0 DHAARN Fc1ccc(CSc2nnnn2-c2cccc(Cl)c2)cc1 ZINC000000089158 563527646 /nfs/dbraw/zinc/52/76/46/563527646.db2.gz WZVVHOHYFYDHGE-UHFFFAOYSA-N 0 0 320.780 3.747 50 0 DHAARN Cc1cccc(NC(=O)Nc2ccc(Cn3cncn3)cc2)c1C ZINC000009875066 563527683 /nfs/dbraw/zinc/52/76/83/563527683.db2.gz HGMIHMJSNCKPNY-UHFFFAOYSA-N 0 0 321.384 3.587 50 0 DHAARN O=C(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000011510262 563528324 /nfs/dbraw/zinc/52/83/24/563528324.db2.gz OWEQREGKLRTPQM-UHFFFAOYSA-N 0 0 311.715 3.871 50 0 DHAARN c1c(COc2ccc(-c3ccccc3)cc2)nc2ncccn12 ZINC000000090369 563528407 /nfs/dbraw/zinc/52/84/07/563528407.db2.gz KXELZOKDQOPEJD-UHFFFAOYSA-N 0 0 301.349 3.975 50 0 DHAARN CCCCn1nc(C2CC2)nc1Cc1ccc(OC)c(OC)c1 ZINC000095382727 563529905 /nfs/dbraw/zinc/52/99/05/563529905.db2.gz MJEINAPHVIXXNX-UHFFFAOYSA-N 0 0 315.417 3.564 50 0 DHAARN O=C(NCc1ccc(F)c(F)c1)Nc1ccnn1C1CCCC1 ZINC000095503556 563530760 /nfs/dbraw/zinc/53/07/60/563530760.db2.gz MBGWEEBPZHJCCV-UHFFFAOYSA-N 0 0 320.343 3.598 50 0 DHAARN COCCC[C@H]1CCCN(c2ccc3cccc(OC)c3n2)C1 ZINC000096133804 563533441 /nfs/dbraw/zinc/53/34/41/563533441.db2.gz SSCWSYCJCDAHGU-OAHLLOKOSA-N 0 0 314.429 3.886 50 0 DHAARN CSC[C@@H]1CCCN(C(=O)c2cc(C)nc3ccccc32)C1 ZINC000096141468 563534104 /nfs/dbraw/zinc/53/41/04/563534104.db2.gz VIGXNBCPUWEZOS-CQSZACIVSA-N 0 0 314.454 3.758 50 0 DHAARN COc1ccccc1-c1cccc(-c2nc([C@H]3CCOC3)no2)c1 ZINC000096138713 563534107 /nfs/dbraw/zinc/53/41/07/563534107.db2.gz OICHWRRBAKFFLV-HNNXBMFYSA-N 0 0 322.364 3.916 50 0 DHAARN c1coc(-c2nc(CCc3cnccn3)n(C3CCCCC3)n2)c1 ZINC000096137437 563534203 /nfs/dbraw/zinc/53/42/03/563534203.db2.gz OWDRZZKHMZSZKU-UHFFFAOYSA-N 0 0 323.400 3.619 50 0 DHAARN CC[C@@H](Nc1nc2c(s1)c(C)nn2C)c1cccc(C)n1 ZINC000096151960 563534792 /nfs/dbraw/zinc/53/47/92/563534792.db2.gz BTIHQSSYKYBWNT-LLVKDONJSA-N 0 0 301.419 3.605 50 0 DHAARN Cc1cnn([C@H](C)C2CC2)c1Nc1nc2c(s1)c(C)nn2C ZINC000096180202 563535551 /nfs/dbraw/zinc/53/55/51/563535551.db2.gz ZTLZXTBJHNVYNL-SNVBAGLBSA-N 0 0 316.434 3.558 50 0 DHAARN Cc1c(NC(=O)NCc2cccs2)cccc1N1CCCC1 ZINC000096167168 563535652 /nfs/dbraw/zinc/53/56/52/563535652.db2.gz WJQFMLNTPAWWLL-UHFFFAOYSA-N 0 0 315.442 3.978 50 0 DHAARN c1c2ccccc2oc1-c1nnc2sc(-c3ccccn3)nn21 ZINC000096193999 563535816 /nfs/dbraw/zinc/53/58/16/563535816.db2.gz ZZTPKWITAOKTIQ-UHFFFAOYSA-N 0 0 319.349 3.661 50 0 DHAARN Cc1cc(C)n(C(=O)c2nc(-n3cccc3)sc2C(C)C)n1 ZINC000096511588 563537254 /nfs/dbraw/zinc/53/72/54/563537254.db2.gz ZXXSEMMINROBEC-UHFFFAOYSA-N 0 0 314.414 3.559 50 0 DHAARN Cc1ccc(C(N)=O)cc1NCc1ncc(-c2ccccc2C)o1 ZINC000072912065 563537930 /nfs/dbraw/zinc/53/79/30/563537930.db2.gz YPBGIJZHOVLVRL-UHFFFAOYSA-N 0 0 321.380 3.669 50 0 DHAARN Cc1cc(CN(C)Cc2ccc(C(F)(F)F)cc2F)[nH]n1 ZINC000097088109 563538055 /nfs/dbraw/zinc/53/80/55/563538055.db2.gz QDMUHDMHXFFYJO-UHFFFAOYSA-N 0 0 301.287 3.508 50 0 DHAARN CC[C@H](C)Cc1nc(C2CCOCC2)nn1Cc1ccccc1 ZINC000097301401 563538693 /nfs/dbraw/zinc/53/86/93/563538693.db2.gz VBIFLOKDGPKJSZ-HNNXBMFYSA-N 0 0 313.445 3.809 50 0 DHAARN CC(=O)c1cc(CN2CCCC[C@@H]2c2cc(C)on2)cs1 ZINC000097413333 563539338 /nfs/dbraw/zinc/53/93/38/563539338.db2.gz XBMJSJVPCLHDPQ-OAHLLOKOSA-N 0 0 304.415 3.974 50 0 DHAARN COc1ccc(NC(=O)N2CCOC3(CCCC3)C2)cc1Cl ZINC000097522289 563539951 /nfs/dbraw/zinc/53/99/51/563539951.db2.gz BPZUBLQWUZVSEM-UHFFFAOYSA-N 0 0 324.808 3.526 50 0 DHAARN CCCc1nc(C(=O)N2CC[C@H]2c2cccc(OC)c2)cs1 ZINC000097660511 563540841 /nfs/dbraw/zinc/54/08/41/563540841.db2.gz VTZRMDPGOODGJG-HNNXBMFYSA-N 0 0 316.426 3.691 50 0 DHAARN Cc1cc([C@@H]2CCCCN2Cc2cc(C(C)(C)C)n[nH]2)no1 ZINC000097631929 563541315 /nfs/dbraw/zinc/54/13/15/563541315.db2.gz PBLYODMZUPVABM-HNNXBMFYSA-N 0 0 302.422 3.731 50 0 DHAARN COc1ccc(CN(C)[C@H](C)c2cccnc2)c(OC)c1C ZINC000097679777 563541320 /nfs/dbraw/zinc/54/13/20/563541320.db2.gz RVXKDLVBZBXGNW-CQSZACIVSA-N 0 0 300.402 3.600 50 0 DHAARN CCn1c2ccccc2nc1CN1CCC[C@H]1c1c(C)noc1C ZINC000097819652 563542390 /nfs/dbraw/zinc/54/23/90/563542390.db2.gz IAMWJCAAVRMYFE-KRWDZBQOSA-N 0 0 324.428 3.998 50 0 DHAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@H]1c1ccccc1 ZINC000097785494 563542648 /nfs/dbraw/zinc/54/26/48/563542648.db2.gz DXYILINEKYVMAZ-IBGZPJMESA-N 0 0 323.440 3.585 50 0 DHAARN O=c1c2cc(Cl)ccc2[nH]c(=S)n1-c1ccc(F)cc1F ZINC000100435781 563550391 /nfs/dbraw/zinc/55/03/91/563550391.db2.gz HPPVPBXAAJTMNK-UHFFFAOYSA-N 0 0 324.739 3.606 50 0 DHAARN Cc1ccc(N2C(=O)C[C@H](SCc3ccccc3)C2=O)cc1 ZINC000100701437 563552753 /nfs/dbraw/zinc/55/27/53/563552753.db2.gz AKSIAVPXPCGEPC-INIZCTEOSA-N 0 0 311.406 3.560 50 0 DHAARN Clc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000100817352 563553870 /nfs/dbraw/zinc/55/38/70/563553870.db2.gz IFKOAKBIMFPUFV-MRXNPFEDSA-N 0 0 308.772 3.988 50 0 DHAARN O=C1Nc2ccc(Br)cc2[C@H]1Cc1cccs1 ZINC000101014715 563555847 /nfs/dbraw/zinc/55/58/47/563555847.db2.gz ACYAMURIBWZSEF-LLVKDONJSA-N 0 0 308.200 3.789 50 0 DHAARN CN(C)N1c2cc(Cl)ccc2[C@H](c2ccc(Cl)cc2)C1=O ZINC000101358246 563557075 /nfs/dbraw/zinc/55/70/75/563557075.db2.gz JBTVMRUXIHFCDY-HNNXBMFYSA-N 0 0 321.207 3.949 50 0 DHAARN CCCNC(=O)c1ccc(Cl)cc1NCc1c(C)noc1C ZINC000055877915 563558202 /nfs/dbraw/zinc/55/82/02/563558202.db2.gz CREYZWDPMCLMHS-UHFFFAOYSA-N 0 0 321.808 3.697 50 0 DHAARN O=C(NC[C@H]1CCCO1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014129375 563560073 /nfs/dbraw/zinc/56/00/73/563560073.db2.gz SPIFTYYQAFAFOP-QGZVFWFLSA-N 0 0 315.344 3.527 50 0 DHAARN CC(C)(C)c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000000101105 563565593 /nfs/dbraw/zinc/56/55/93/563565593.db2.gz DNIMCVZRMVBBBR-UHFFFAOYSA-N 0 0 311.425 3.722 50 0 DHAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCOCC2)n1 ZINC000000102733 563566983 /nfs/dbraw/zinc/56/69/83/563566983.db2.gz FSMZEHQTYAMEMO-UHFFFAOYSA-N 0 0 311.410 3.503 50 0 DHAARN Cc1ccc(-c2noc(Cn3cc(C=O)c4ccccc43)n2)cc1 ZINC000000120237 563571035 /nfs/dbraw/zinc/57/10/35/563571035.db2.gz TWZXUIGOWBFQGL-UHFFFAOYSA-N 0 0 317.348 3.861 50 0 DHAARN COc1ccc2[nH]c(C)c(CCNC(=O)c3cccs3)c2c1 ZINC000000140810 563572802 /nfs/dbraw/zinc/57/28/02/563572802.db2.gz RARVGZDNSDDCSP-UHFFFAOYSA-N 0 0 314.410 3.519 50 0 DHAARN COc1cccc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)c1 ZINC000000177152 563575293 /nfs/dbraw/zinc/57/52/93/563575293.db2.gz BVRZNAGPGPTLJI-BOPFTXTBSA-N 0 0 307.349 3.657 50 0 DHAARN CCOC(=O)c1sc(=S)n(-c2ccc(OC)cc2)c1C ZINC000000180309 563575739 /nfs/dbraw/zinc/57/57/39/563575739.db2.gz RUJUULTZARKLRB-UHFFFAOYSA-N 0 0 309.412 3.762 50 0 DHAARN CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C ZINC000000198240 563577456 /nfs/dbraw/zinc/57/74/56/563577456.db2.gz AHTZIFIBNCSFEG-UHFFFAOYSA-N 0 0 301.386 3.798 50 0 DHAARN O=C(Nc1ccon1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000000215021 563578532 /nfs/dbraw/zinc/57/85/32/563578532.db2.gz LFHOYNMZUNPCQZ-UHFFFAOYSA-N 0 0 324.336 3.588 50 0 DHAARN O=C(NC1CCCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000000217724 563579055 /nfs/dbraw/zinc/57/90/55/563579055.db2.gz UCBYPBXQIVNGKW-UHFFFAOYSA-N 0 0 317.392 3.969 50 0 DHAARN O=C1[C@@H]2CCCN2C(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000000217508 563579066 /nfs/dbraw/zinc/57/90/66/563579066.db2.gz YVMNRQIUHPNZJZ-INIZCTEOSA-N 0 0 324.405 3.575 50 0 DHAARN COc1ccc(Nc2ncnc3sc(C)cc32)c(OC)c1 ZINC000000224063 563579584 /nfs/dbraw/zinc/57/95/84/563579584.db2.gz DWASSOBXVDRSLR-UHFFFAOYSA-N 0 0 301.371 3.761 50 0 DHAARN S=C(NCc1ccccc1)N1CCCC[C@H]1c1cccnc1 ZINC000000240147 563580435 /nfs/dbraw/zinc/58/04/35/563580435.db2.gz OFSHQNOGDDEWPU-KRWDZBQOSA-N 0 0 311.454 3.683 50 0 biogenic DHAARN CCN1C(=O)N(c2cccc3ccccc32)[C@@](C)(O)CC1(C)C ZINC000000262596 563582997 /nfs/dbraw/zinc/58/29/97/563582997.db2.gz XZAGGIGPGKZWSH-IBGZPJMESA-N 0 0 312.413 3.979 50 0 DHAARN COc1cccc2cc(NC(=O)c3ccc(C)c(C)c3)c(=O)oc21 ZINC000000253526 563583019 /nfs/dbraw/zinc/58/30/19/563583019.db2.gz MDCLVQCCBCFGRA-UHFFFAOYSA-N 0 0 323.348 3.671 50 0 DHAARN COc1ccc(-c2nc(NC(=O)c3ccco3)sc2C)cc1 ZINC000000260314 563583573 /nfs/dbraw/zinc/58/35/73/563583573.db2.gz KKEBNHQLHFZOHD-UHFFFAOYSA-N 0 0 314.366 3.972 50 0 DHAARN COc1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000000270119 563584366 /nfs/dbraw/zinc/58/43/66/563584366.db2.gz WVEVJXZXAMNLMC-UHFFFAOYSA-N 0 0 319.426 3.695 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000000311496 563587641 /nfs/dbraw/zinc/58/76/41/563587641.db2.gz ZFTOUALUILKSLZ-UHFFFAOYSA-N 0 0 318.170 3.904 50 0 DHAARN C[C@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1cccnc1 ZINC000127974302 563588857 /nfs/dbraw/zinc/58/88/57/563588857.db2.gz DJHZIJJMSLELOZ-GWCFXTLKSA-N 0 0 315.339 3.563 50 0 DHAARN O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000000324704 563589103 /nfs/dbraw/zinc/58/91/03/563589103.db2.gz GUCADIRGPKVSKM-HNNXBMFYSA-N 0 0 311.385 3.590 50 0 DHAARN O=C([O-])c1ccccc1SC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000033435708 563591899 /nfs/dbraw/zinc/59/18/99/563591899.db2.gz FUSMGHBUCDVHPC-ZFWWWQNUSA-N 0 0 305.443 3.741 50 0 DHAARN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@H](C)c1cccnc1 ZINC000257365387 563595067 /nfs/dbraw/zinc/59/50/67/563595067.db2.gz VVDFTDQEXFYOQX-OCCSQVGLSA-N 0 0 304.825 3.675 50 0 DHAARN COc1ccccc1[C@H]1C=C(c2ccc(C)cc2)N=C2N=NNN21 ZINC000100622472 563596951 /nfs/dbraw/zinc/59/69/51/563596951.db2.gz DXHCLZFIJIFBNJ-MRXNPFEDSA-N 0 0 319.368 3.643 50 0 DHAARN CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000100661795 563597180 /nfs/dbraw/zinc/59/71/80/563597180.db2.gz LQUHLWOIFJBMDX-PQGFFOKXSA-N 0 0 321.376 3.577 50 0 DHAARN CCCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000005136141 563597667 /nfs/dbraw/zinc/59/76/67/563597667.db2.gz GGSDXMPNXFMLKR-UHFFFAOYSA-N 0 0 312.369 3.611 50 0 DHAARN O=C(Nc1ccccc1Cn1cccn1)N1CCCCCCC1 ZINC000044270454 563598849 /nfs/dbraw/zinc/59/88/49/563598849.db2.gz UJDVTDMRCLUGMM-UHFFFAOYSA-N 0 0 312.417 3.729 50 0 DHAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)C2CCC2)c1 ZINC000011814683 563599374 /nfs/dbraw/zinc/59/93/74/563599374.db2.gz HJPAZXOAIHJPLB-GOSISDBHSA-N 0 0 323.440 3.783 50 0 DHAARN COc1ccccc1C[C@H](C)N(C)C(=O)c1ncoc1C(C)C ZINC000072501873 563599906 /nfs/dbraw/zinc/59/99/06/563599906.db2.gz MTHZSTPOBFCYFN-ZDUSSCGKSA-N 0 0 316.401 3.510 50 0 DHAARN C[C@H](Oc1ccccc1F)C(=O)Nc1nc2c(s1)CCCC2 ZINC000011916564 563601711 /nfs/dbraw/zinc/60/17/11/563601711.db2.gz KEAYQRCJYIKDLS-JTQLQIEISA-N 0 0 320.389 3.567 50 0 DHAARN Cc1cc(SCC(=O)Nc2cc(Cl)ccc2C)nc(C)n1 ZINC000012016627 563603720 /nfs/dbraw/zinc/60/37/20/563603720.db2.gz NQJWTIROOQHEJS-UHFFFAOYSA-N 0 0 321.833 3.786 50 0 DHAARN C[C@H](Cn1nc(-c2ccccc2F)ccc1=O)c1ccccc1 ZINC000128719586 563605370 /nfs/dbraw/zinc/60/53/70/563605370.db2.gz QBDHLCJIHAOQSE-CQSZACIVSA-N 0 0 308.356 3.853 50 0 DHAARN COc1ccc(S(=O)(=O)Oc2cccc3ccccc32)cc1 ZINC000002064731 563606241 /nfs/dbraw/zinc/60/62/41/563606241.db2.gz XTIJFLJBIHUQTI-UHFFFAOYSA-N 0 0 314.362 3.616 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000000204466 563610528 /nfs/dbraw/zinc/61/05/28/563610528.db2.gz WFPDYQBPDBRWGD-UHFFFAOYSA-N 0 0 320.418 3.697 50 0 DHAARN CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1 ZINC000000421835 563611441 /nfs/dbraw/zinc/61/14/41/563611441.db2.gz GFQOBDVRSFYXCB-UHFFFAOYSA-N 0 0 323.421 3.940 50 0 DHAARN COc1ccc(F)cc1-c1csc(NC(=O)c2ccco2)n1 ZINC000000419230 563611609 /nfs/dbraw/zinc/61/16/09/563611609.db2.gz FNOPUZORVQOYTI-UHFFFAOYSA-N 0 0 318.329 3.803 50 0 DHAARN O=c1c2cc(F)ccc2[n-]c(=S)n1Cc1cccc(Cl)c1 ZINC000000424945 563612081 /nfs/dbraw/zinc/61/20/81/563612081.db2.gz KAXLDLLEWBDJSL-UHFFFAOYSA-N 0 0 320.776 3.526 50 0 DHAARN COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccccc2)no1 ZINC000000423714 563612170 /nfs/dbraw/zinc/61/21/70/563612170.db2.gz SRKVLOFTYWDKDP-ZDUSSCGKSA-N 0 0 322.364 3.841 50 0 DHAARN Cc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1 ZINC000000422320 563612234 /nfs/dbraw/zinc/61/22/34/563612234.db2.gz UIJGQZBDXZGCSX-UHFFFAOYSA-N 0 0 311.410 3.576 50 0 DHAARN CSc1cccc(C)c1NC(=O)N1CCC[C@H]1[C@H]1CCCO1 ZINC000253420939 563613699 /nfs/dbraw/zinc/61/36/99/563613699.db2.gz NMBFTICISRRMRF-UONOGXRCSA-N 0 0 320.458 3.892 50 0 DHAARN Cc1nc(-c2ccc(OCc3noc(C4CC4)n3)cc2)cs1 ZINC000067100035 563614272 /nfs/dbraw/zinc/61/42/72/563614272.db2.gz DOXYSCGPIFAWMZ-UHFFFAOYSA-N 0 0 313.382 3.958 50 0 DHAARN CC(C)c1nc([C@H]2CCCN2c2ncnc3sccc32)no1 ZINC000075573023 563616765 /nfs/dbraw/zinc/61/67/65/563616765.db2.gz XVDPLEUJDHVAHE-LLVKDONJSA-N 0 0 315.402 3.539 50 0 DHAARN Cc1cccc(-n2cc(C3CCN(C(=O)C4CCC4)CC3)cn2)c1 ZINC000075500824 563616861 /nfs/dbraw/zinc/61/68/61/563616861.db2.gz XTUCZEUYUNVHAF-UHFFFAOYSA-N 0 0 323.440 3.687 50 0 DHAARN CCCCn1nnnc1CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000078688164 563617818 /nfs/dbraw/zinc/61/78/18/563617818.db2.gz ZSDIYWSJMICFMN-UHFFFAOYSA-N 0 0 319.412 3.657 50 0 DHAARN COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)c1 ZINC000079112369 563617987 /nfs/dbraw/zinc/61/79/87/563617987.db2.gz LFFVVEORFZPPSB-IBGZPJMESA-N 0 0 308.381 3.701 50 0 DHAARN CCc1cccc(CC(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)c1 ZINC000120254297 563618679 /nfs/dbraw/zinc/61/86/79/563618679.db2.gz WEBGPRRISDSLNT-UHFFFAOYSA-N 0 0 320.396 3.524 50 0 DHAARN CC(C)c1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000002649831 563621303 /nfs/dbraw/zinc/62/13/03/563621303.db2.gz CIIGDULSVYGBRQ-GJZGRUSLSA-N 0 0 317.429 3.756 50 0 DHAARN O=C(NCC[C@@H](CCO)c1ccccc1)c1cc2ccccc2o1 ZINC000206625197 563623030 /nfs/dbraw/zinc/62/30/30/563623030.db2.gz YTYHJGRRDPFZMZ-INIZCTEOSA-N 0 0 323.392 3.719 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(cccc2F)s1)c1ccncc1 ZINC000007184888 563624824 /nfs/dbraw/zinc/62/48/24/563624824.db2.gz FFQJIEORSBFJIG-SNVBAGLBSA-N 0 0 300.358 3.926 50 0 DHAARN COc1ccc(CNc2cc(C)cc(C)c2)c(OC)c1OC ZINC000000263078 563629305 /nfs/dbraw/zinc/62/93/05/563629305.db2.gz GZWQJMHFKJMEFV-UHFFFAOYSA-N 0 0 301.386 3.941 50 0 DHAARN COC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1 ZINC000000367760 563629808 /nfs/dbraw/zinc/62/98/08/563629808.db2.gz CBWAWQBKKLZDDM-UHFFFAOYSA-N 0 0 315.394 3.512 50 0 DHAARN COCc1cc(Br)c(COC)cc1Br ZINC000000393352 563629826 /nfs/dbraw/zinc/62/98/26/563629826.db2.gz UYZHRFSZANMPME-UHFFFAOYSA-N 0 0 324.012 3.504 50 0 DHAARN Cn1c2ccccc2nc1NCc1ccc(Br)cc1 ZINC000000532233 563630422 /nfs/dbraw/zinc/63/04/22/563630422.db2.gz BZIAMERIHJBMHG-UHFFFAOYSA-N 0 0 316.202 3.948 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1 ZINC000000406468 563630460 /nfs/dbraw/zinc/63/04/60/563630460.db2.gz YLMMEGPKOWGIQL-UHFFFAOYSA-N 0 0 314.341 3.516 50 0 DHAARN CON(C)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000017793190 563633520 /nfs/dbraw/zinc/63/35/20/563633520.db2.gz QJTRRDZAODELDI-UHFFFAOYSA-N 0 0 306.365 3.844 50 0 DHAARN COC(=O)c1sccc1NC(=O)c1ccc(F)cc1Cl ZINC000006742094 563638761 /nfs/dbraw/zinc/63/87/61/563638761.db2.gz SSYURFYBLKIYQQ-UHFFFAOYSA-N 0 0 313.737 3.580 50 0 DHAARN Cc1cnc(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)o1 ZINC000189510647 563639833 /nfs/dbraw/zinc/63/98/33/563639833.db2.gz JSYCSNYMQDMMJP-XHDPSFHLSA-N 0 0 306.793 3.598 50 0 DHAARN Cc1cccc(CC(=O)N2CCS[C@H](c3ccco3)CC2)c1 ZINC000207007926 563643615 /nfs/dbraw/zinc/64/36/15/563643615.db2.gz QPDHKSBWXPOCFW-KRWDZBQOSA-N 0 0 315.438 3.837 50 0 DHAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl ZINC000008746112 563644172 /nfs/dbraw/zinc/64/41/72/563644172.db2.gz HYZVJHXTOIJKJC-UHFFFAOYSA-N 0 0 314.772 3.785 50 0 DHAARN FC(F)(F)C(Oc1cccc(Br)n1)C(F)(F)F ZINC000169725502 563647739 /nfs/dbraw/zinc/64/77/39/563647739.db2.gz CKLXQJYUDICHJK-UHFFFAOYSA-N 0 0 324.018 3.716 50 0 DHAARN CCCOC(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1 ZINC000012789658 563654120 /nfs/dbraw/zinc/65/41/20/563654120.db2.gz RZYRXTLZFDOVHE-UHFFFAOYSA-N 0 0 311.381 3.743 50 0 DHAARN COc1ccc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)c(OC)c1 ZINC000101666257 563656953 /nfs/dbraw/zinc/65/69/53/563656953.db2.gz WLLSURNPUXUWFX-AWEZNQCLSA-N 0 0 317.772 3.636 50 0 DHAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccccc3F)C2)cc1 ZINC000102046575 563657880 /nfs/dbraw/zinc/65/78/80/563657880.db2.gz FERRGGSRHKDACM-KRWDZBQOSA-N 0 0 306.344 3.782 50 0 DHAARN O=C(CN1CCCCC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000521042 563664150 /nfs/dbraw/zinc/66/41/50/563664150.db2.gz YNKSSMDMOLRMJS-UHFFFAOYSA-N 0 0 324.424 3.690 50 0 DHAARN C[C@@H]1CCCN(c2nc(-c3ccccn3)nc3ccccc32)C1 ZINC000000531653 563666231 /nfs/dbraw/zinc/66/62/31/563666231.db2.gz RWTQDIWOBRFEIC-CQSZACIVSA-N 0 0 304.397 3.928 50 0 DHAARN Cc1ccc(-c2nnc(SCc3cccc(C)c3)n2N)cc1 ZINC000000533276 563666732 /nfs/dbraw/zinc/66/67/32/563666732.db2.gz DSOLMYOZFRHLOP-UHFFFAOYSA-N 0 0 310.426 3.568 50 0 DHAARN c1nn(-c2ccccc2)c2ncn3nc(C4CCCCC4)nc3c12 ZINC000000534573 563666843 /nfs/dbraw/zinc/66/68/43/563666843.db2.gz JPJMFQPQKJLTNS-UHFFFAOYSA-N 0 0 318.384 3.511 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3NC2CCCC2)c(C)c1 ZINC000000535950 563667243 /nfs/dbraw/zinc/66/72/43/563667243.db2.gz MNYPSQVHYZLGOC-UHFFFAOYSA-N 0 0 307.401 3.787 50 0 DHAARN Fc1ccc(N2COc3ccc(Br)cc3C2)cc1 ZINC000000536163 563667352 /nfs/dbraw/zinc/66/73/52/563667352.db2.gz HKKUWRHLZCSGMO-UHFFFAOYSA-N 0 0 308.150 3.945 50 0 DHAARN CCOc1ccc2[nH]c3c(ncnc3N3CCC[C@H](C)C3)c2c1 ZINC000000543371 563668896 /nfs/dbraw/zinc/66/88/96/563668896.db2.gz VEZBCYVSGHDUJG-LBPRGKRZSA-N 0 0 310.401 3.746 50 0 DHAARN O=C(C[C@H](c1ccccc1)c1ccccc1O)NCc1ccco1 ZINC000000543593 563669015 /nfs/dbraw/zinc/66/90/15/563669015.db2.gz DFOLPCGIIWIRME-GOSISDBHSA-N 0 0 321.376 3.824 50 0 DHAARN Cc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000000545491 563669379 /nfs/dbraw/zinc/66/93/79/563669379.db2.gz DHHGZVYUCARAFR-JNCYCUAHSA-N 0 0 318.420 3.632 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(OC)cc2)c1 ZINC000000568597 563671405 /nfs/dbraw/zinc/67/14/05/563671405.db2.gz FMQLTTYWUULBMH-FMIVXFBMSA-N 0 0 324.380 3.696 50 0 DHAARN O=c1cc(Cc2ccccc2)[nH]c2cc(-c3ccccc3)nn21 ZINC000104102020 563672466 /nfs/dbraw/zinc/67/24/66/563672466.db2.gz QBBPGDJONHGNBS-UHFFFAOYSA-N 0 0 301.349 3.693 50 0 DHAARN C[C@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000000572471 563673581 /nfs/dbraw/zinc/67/35/81/563673581.db2.gz BITNFBMDDYSJPX-JTQLQIEISA-N 0 0 304.752 3.930 50 0 DHAARN COc1ccccc1/C(C)=C\C(=O)N(C)[C@H](C)c1cccnc1 ZINC000209664500 563675918 /nfs/dbraw/zinc/67/59/18/563675918.db2.gz HVUURXHYCOOGLZ-IKESIWSLSA-N 0 0 310.397 3.713 50 0 DHAARN COc1cc(C(=O)Nc2ccc(Cn3cccn3)cc2)ccc1C ZINC000047176913 563679078 /nfs/dbraw/zinc/67/90/78/563679078.db2.gz DRUVQIPNSYIKRG-UHFFFAOYSA-N 0 0 321.380 3.501 50 0 DHAARN CCn1c2ccc(F)cc2s/c1=N/C(=O)c1ccccc1F ZINC000012180895 563680792 /nfs/dbraw/zinc/68/07/92/563680792.db2.gz JERQSASHLGFCMN-KNTRCKAVSA-N 0 0 318.348 3.742 50 0 DHAARN C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)n1ccnc1-c1ccccc1 ZINC000107592193 563684342 /nfs/dbraw/zinc/68/43/42/563684342.db2.gz IMQQOVKHAUOSBO-HLLBOEOZSA-N 0 0 311.429 3.806 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)[nH]n2)cc1 ZINC000044839151 563685003 /nfs/dbraw/zinc/68/50/03/563685003.db2.gz BBXCMHMZISTYLL-KRWDZBQOSA-N 0 0 317.392 3.802 50 0 DHAARN O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CCCCC1 ZINC000044838684 563685130 /nfs/dbraw/zinc/68/51/30/563685130.db2.gz VUFAPUXXBSOOIG-UHFFFAOYSA-N 0 0 305.381 3.856 50 0 DHAARN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cn1 ZINC000045020855 563687689 /nfs/dbraw/zinc/68/76/89/563687689.db2.gz RBCPKLFCIBNVHV-SECBINFHSA-N 0 0 310.806 3.686 50 0 DHAARN O=S(=O)(Cc1csc(-c2ccco2)n1)Cc1ccccc1 ZINC000045340230 563688660 /nfs/dbraw/zinc/68/86/60/563688660.db2.gz XKWWFCXHYAVAKT-UHFFFAOYSA-N 0 0 319.407 3.518 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000051354004 563688849 /nfs/dbraw/zinc/68/88/49/563688849.db2.gz PVDJVEOCUVPITB-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN CC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000045369790 563689455 /nfs/dbraw/zinc/68/94/55/563689455.db2.gz VWSNUVXDGXLXME-UHFFFAOYSA-N 0 0 302.296 3.849 50 0 DHAARN CSc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000051354477 563691247 /nfs/dbraw/zinc/69/12/47/563691247.db2.gz WLCKKJQWLXSFEW-UHFFFAOYSA-N 0 0 302.355 3.781 50 0 DHAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000046018288 563691675 /nfs/dbraw/zinc/69/16/75/563691675.db2.gz YKEZZMRBHZDMST-MRXNPFEDSA-N 0 0 319.401 3.660 50 0 DHAARN CCCCC(=O)NC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000047822010 563692606 /nfs/dbraw/zinc/69/26/06/563692606.db2.gz KOURFSLFCIMGRI-UHFFFAOYSA-N 0 0 314.882 3.672 50 0 DHAARN COc1ccccc1[C@@H](C)N(C)Cc1noc(C(C)(C)C)n1 ZINC000047886005 563692821 /nfs/dbraw/zinc/69/28/21/563692821.db2.gz UFLZRBHSPSYGRB-GFCCVEGCSA-N 0 0 303.406 3.569 50 0 DHAARN Cc1ccc(CC(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 ZINC000048202304 563693474 /nfs/dbraw/zinc/69/34/74/563693474.db2.gz UEULLXIQJRDNCD-UHFFFAOYSA-N 0 0 319.364 3.759 50 0 DHAARN Cc1ccc(CNC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000048235041 563694318 /nfs/dbraw/zinc/69/43/18/563694318.db2.gz XEILEFLSWIJUHS-UHFFFAOYSA-N 0 0 319.408 3.744 50 0 DHAARN C[C@H](c1ccccc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000048253525 563694668 /nfs/dbraw/zinc/69/46/68/563694668.db2.gz MDGKJQZJDHRKLJ-RDTXWAMCSA-N 0 0 308.381 3.724 50 0 DHAARN Cc1nc(CCNC(=O)N2CC[C@H](C)c3ccccc32)cs1 ZINC000048273659 563694815 /nfs/dbraw/zinc/69/48/15/563694815.db2.gz KLAXLXHQIZIZIH-LBPRGKRZSA-N 0 0 315.442 3.717 50 0 DHAARN CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000048278675 563695050 /nfs/dbraw/zinc/69/50/50/563695050.db2.gz LALXFUJYHGDEKH-KDOFPFPSSA-N 0 0 319.470 3.862 50 0 DHAARN CCOc1ccc(C(=O)CCC(=O)N[C@H](C)[C@@H](C)CC)cc1 ZINC000048324602 563696466 /nfs/dbraw/zinc/69/64/66/563696466.db2.gz YPPKPIZURXQWGF-UONOGXRCSA-N 0 0 305.418 3.599 50 0 DHAARN O=C1Nc2ccccc2/C1=C/c1csc(-c2ccccn2)n1 ZINC000048332098 563696978 /nfs/dbraw/zinc/69/69/78/563696978.db2.gz ZZBANBQOKFVJRA-LCYFTJDESA-N 0 0 305.362 3.698 50 0 DHAARN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)o1 ZINC000048346818 563696982 /nfs/dbraw/zinc/69/69/82/563696982.db2.gz BTYKPCQVESKOKG-WFASDCNBSA-N 0 0 311.385 3.995 50 0 DHAARN CC[C@H]1CCc2nc(NC(=O)c3cc(Cl)c[nH]3)sc2C1 ZINC000048805077 563699681 /nfs/dbraw/zinc/69/96/81/563699681.db2.gz CACOXIWERCMDLQ-QMMMGPOBSA-N 0 0 309.822 3.892 50 0 DHAARN Cc1ccc(C(=O)NCc2ccc(COC(C)C)cc2)s1 ZINC000049133264 563700822 /nfs/dbraw/zinc/70/08/22/563700822.db2.gz XBBISHCWSJJPST-UHFFFAOYSA-N 0 0 303.427 3.912 50 0 DHAARN CC(C)OCc1cccc(CNC(=O)c2ccc(F)cc2F)c1 ZINC000049153180 563700932 /nfs/dbraw/zinc/70/09/32/563700932.db2.gz UKEVCIAVTNNMAW-UHFFFAOYSA-N 0 0 319.351 3.820 50 0 DHAARN O=C(Cc1noc2ccccc21)Nc1ccc(Cl)c(F)c1 ZINC000049244085 563701117 /nfs/dbraw/zinc/70/11/17/563701117.db2.gz MABJTYRFHMABKB-UHFFFAOYSA-N 0 0 304.708 3.802 50 0 DHAARN CC(C)NC(=O)Cn1ccc2cccc(OCc3ccccc3)c21 ZINC000049548072 563701605 /nfs/dbraw/zinc/70/16/05/563701605.db2.gz JIXTYXMXEJWKRI-UHFFFAOYSA-N 0 0 322.408 3.745 50 0 DHAARN COc1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)cc1 ZINC000049409974 563701623 /nfs/dbraw/zinc/70/16/23/563701623.db2.gz JYTXYAGEQQUXTM-UHFFFAOYSA-N 0 0 324.405 3.749 50 0 biogenic DHAARN O=C1C[C@H](c2cccc(O)c2)c2cnn(Cc3ccccc3)c2N1 ZINC000049548301 563701643 /nfs/dbraw/zinc/70/16/43/563701643.db2.gz QYGVEYWQSYLVOJ-MRXNPFEDSA-N 0 0 319.364 3.761 50 0 DHAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000049545159 563701666 /nfs/dbraw/zinc/70/16/66/563701666.db2.gz LTQXKBOGRRQRLN-LBPRGKRZSA-N 0 0 311.316 3.943 50 0 DHAARN COc1cc(Cl)ccc1C(=O)NCc1ccccc1Cl ZINC000049412348 563701684 /nfs/dbraw/zinc/70/16/84/563701684.db2.gz DJVUNKKQQLSNEX-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(OC2CCCC2)cc1 ZINC000049546168 563701851 /nfs/dbraw/zinc/70/18/51/563701851.db2.gz NZCHMCLOVHSTSY-OAHLLOKOSA-N 0 0 311.385 3.865 50 0 DHAARN O=C(Nc1nnc(-c2ccsc2)o1)c1c[nH]c2ccccc21 ZINC000049449029 563701855 /nfs/dbraw/zinc/70/18/55/563701855.db2.gz BOYZVNFISWMXTO-UHFFFAOYSA-N 0 0 310.338 3.532 50 0 DHAARN Fc1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 ZINC000049586917 563702628 /nfs/dbraw/zinc/70/26/28/563702628.db2.gz UQIFLQOMOIWZCW-UHFFFAOYSA-N 0 0 318.355 3.923 50 0 DHAARN CC(C)c1ncc(CN2CCOc3ccc(Cl)cc3C2)cn1 ZINC000215221255 563704132 /nfs/dbraw/zinc/70/41/32/563704132.db2.gz AUUAMYVUSFEOTI-UHFFFAOYSA-N 0 0 317.820 3.648 50 0 DHAARN CCc1ccc(C[NH2+]Cc2c3ccccc3n(C)c2C(=O)[O-])cc1 ZINC000006899764 563708090 /nfs/dbraw/zinc/70/80/90/563708090.db2.gz RMPAMULSEXLGSY-UHFFFAOYSA-N 0 0 322.408 3.729 50 0 DHAARN Clc1ccc(N2CCN(Cc3ccnc(Cl)c3)CC2)cc1 ZINC000051608627 563708392 /nfs/dbraw/zinc/70/83/92/563708392.db2.gz DNFFEPZVYXHSBW-UHFFFAOYSA-N 0 0 322.239 3.711 50 0 DHAARN CC(=O)c1cc(CN(C)Cc2nc3cc(F)ccc3[nH]2)cs1 ZINC000216400737 563709608 /nfs/dbraw/zinc/70/96/08/563709608.db2.gz LSWFFEQHTYKOLM-UHFFFAOYSA-N 0 0 317.389 3.598 50 0 DHAARN C[C@@H](N[C@@H]1COc2ccccc2C1)c1occc1Br ZINC000095967518 563712266 /nfs/dbraw/zinc/71/22/66/563712266.db2.gz SPGGGQJUHNQYGV-PWSUYJOCSA-N 0 0 322.202 3.696 50 0 DHAARN O=C(Cc1cnc(-c2ccccc2F)s1)Nc1cccnc1 ZINC000012324423 563713089 /nfs/dbraw/zinc/71/30/89/563713089.db2.gz LKSIMJSEDUVFDR-UHFFFAOYSA-N 0 0 313.357 3.525 50 0 DHAARN COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)c(OC)c1 ZINC000000780896 563715389 /nfs/dbraw/zinc/71/53/89/563715389.db2.gz SSJAJVNOGKMGCK-UHFFFAOYSA-N 0 0 315.369 3.517 50 0 DHAARN CC(=O)Nc1ccccc1OCc1ccc(Br)cc1 ZINC000007895507 563717505 /nfs/dbraw/zinc/71/75/05/563717505.db2.gz UZUVOOJPZCRTQS-UHFFFAOYSA-N 0 0 320.186 3.987 50 0 DHAARN Cc1cc(C)cc(C(=O)OCC(=O)c2ccc(F)c(F)c2)c1 ZINC000007814555 563717816 /nfs/dbraw/zinc/71/78/16/563717816.db2.gz ABKNZDXANJNMRI-UHFFFAOYSA-N 0 0 304.292 3.621 50 0 DHAARN O=C(NCc1ccnc(-c2ccncc2)c1)c1ccccc1Cl ZINC000390826676 563718940 /nfs/dbraw/zinc/71/89/40/563718940.db2.gz OLSKRIVURRYENP-UHFFFAOYSA-N 0 0 323.783 3.727 50 0 DHAARN O=C(/C=C/c1ccco1)NCCOc1ccc2ccccc2c1 ZINC000008116277 563719260 /nfs/dbraw/zinc/71/92/60/563719260.db2.gz PLNZSXLBBFYYCD-MDZDMXLPSA-N 0 0 307.349 3.641 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000008275200 563720356 /nfs/dbraw/zinc/72/03/56/563720356.db2.gz IWVQJVSGZZDGNR-UHFFFAOYSA-N 0 0 317.698 3.502 50 0 DHAARN CO[C@@H](C)c1nc(Cc2nc(-c3cccc(C)c3)no2)cs1 ZINC000390833211 563720423 /nfs/dbraw/zinc/72/04/23/563720423.db2.gz DPOGOYLRLISGCF-NSHDSACASA-N 0 0 315.398 3.800 50 0 DHAARN CCOc1cccc2cc([C@@H](C)Nc3nccc(OC)n3)oc21 ZINC000032808460 563723480 /nfs/dbraw/zinc/72/34/80/563723480.db2.gz JNIMUKWDCRDMBJ-LLVKDONJSA-N 0 0 313.357 3.803 50 0 DHAARN O=C1O[C@@H]([C@@H](O)c2cc(Cl)ccc2Cl)c2ccccc21 ZINC000005776663 563724188 /nfs/dbraw/zinc/72/41/88/563724188.db2.gz IZXQIHMIXVGAIY-UONOGXRCSA-N 0 0 309.148 3.939 50 0 DHAARN CSc1ncccc1C(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000222368934 563725103 /nfs/dbraw/zinc/72/51/03/563725103.db2.gz IASXTYAWZPNHDK-CQSZACIVSA-N 0 0 302.374 3.530 50 0 DHAARN Cc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)o1 ZINC000223719192 563735084 /nfs/dbraw/zinc/73/50/84/563735084.db2.gz FFGQLKGWHBUXMW-UHFFFAOYSA-N 0 0 312.413 3.551 50 0 DHAARN CSc1nc(C(=O)N2CCCC[C@@H]2c2cc(C)on2)cs1 ZINC000223749257 563735852 /nfs/dbraw/zinc/73/58/52/563735852.db2.gz OXOGESXRZHBUCX-GFCCVEGCSA-N 0 0 323.443 3.529 50 0 DHAARN Cc1ccc(-n2cnnc2SCc2cccnc2)cc1Cl ZINC000027810009 563740412 /nfs/dbraw/zinc/74/04/12/563740412.db2.gz CKBLDHDJMWTQAP-UHFFFAOYSA-N 0 0 316.817 3.916 50 0 DHAARN O=C1[C@@H](Oc2ccccc2)[C@@H](c2cccnc2)N1c1ccccc1 ZINC000040156580 563750777 /nfs/dbraw/zinc/75/07/77/563750777.db2.gz NIWSYXZTOCZBKV-MOPGFXCFSA-N 0 0 316.360 3.617 50 0 DHAARN CCCCc1noc(CNc2cnn(-c3ccccc3)c2C)n1 ZINC000225389333 563753186 /nfs/dbraw/zinc/75/31/86/563753186.db2.gz AWZCFQOXVYKESX-UHFFFAOYSA-N 0 0 311.389 3.518 50 0 DHAARN Cc1noc(C)c1Cc1nc([C@H](c2ccccc2)C2CC2)no1 ZINC000225554258 563758874 /nfs/dbraw/zinc/75/88/74/563758874.db2.gz ALUHBIZWFMFHEU-QGZVFWFLSA-N 0 0 309.369 3.807 50 0 DHAARN CC(=O)c1ccccc1NC(=O)c1cnc2ccc(F)cc2c1O ZINC000012388912 563765943 /nfs/dbraw/zinc/76/59/43/563765943.db2.gz ODGFLPMHQHTNBD-UHFFFAOYSA-N 0 0 324.311 3.534 50 0 DHAARN C[C@@H](c1nc(C2CC2)no1)N(C)Cc1nc2ccccc2s1 ZINC000051909725 563772912 /nfs/dbraw/zinc/77/29/12/563772912.db2.gz VOAGEDCRIPAVQE-JTQLQIEISA-N 0 0 314.414 3.750 50 0 DHAARN CCCCOc1ccc(S(=O)(=O)NC(C)C)cc1C(C)C ZINC000230515516 563773251 /nfs/dbraw/zinc/77/32/51/563773251.db2.gz HSJYGZAUNDNOHK-UHFFFAOYSA-N 0 0 313.463 3.676 50 0 DHAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1Cl ZINC000012435516 563774223 /nfs/dbraw/zinc/77/42/23/563774223.db2.gz UGUQCLRNVCJIGF-UHFFFAOYSA-N 0 0 314.772 3.941 50 0 DHAARN Cc1nc(C)c(-c2cc(F)ccc2OC[C@H]2CCOC2)s1 ZINC000685942615 563774312 /nfs/dbraw/zinc/77/43/12/563774312.db2.gz YCLLCQXHRYENJT-LBPRGKRZSA-N 0 0 307.390 3.981 50 0 DHAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000239274808 563775845 /nfs/dbraw/zinc/77/58/45/563775845.db2.gz ASDQMGPJYCIRJK-IEBDPFPHSA-N 0 0 312.196 3.919 50 0 DHAARN O=C(Nc1scnc1-c1ccccc1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000240668048 563776358 /nfs/dbraw/zinc/77/63/58/563776358.db2.gz HMBLEDKMVCQICA-HUUCEWRRSA-N 0 0 321.405 3.947 50 0 DHAARN CC(C)CCc1cc(NC(=O)Cc2c[nH]c3ccccc23)n(C)n1 ZINC000240551403 563776450 /nfs/dbraw/zinc/77/64/50/563776450.db2.gz GTLCHMSNFATRIO-UHFFFAOYSA-N 0 0 324.428 3.671 50 0 DHAARN Cc1nc2ccc(-c3noc([C@@H]4CCO[C@@H](C)C4)n3)cc2s1 ZINC000241923257 563778080 /nfs/dbraw/zinc/77/80/80/563778080.db2.gz UEHCKUPUBHFDIM-JOYOIKCWSA-N 0 0 315.398 3.937 50 0 DHAARN O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)[C@H]1CCCOC1 ZINC000242288026 563778178 /nfs/dbraw/zinc/77/81/78/563778178.db2.gz YKMXYPLSKQTNGA-AWEZNQCLSA-N 0 0 321.380 3.595 50 0 DHAARN CC[C@@H](NC(=O)c1ccc(-c2ccc(C)o2)cc1)[C@H]1C[C@H](O)C1 ZINC000244633722 563779357 /nfs/dbraw/zinc/77/93/57/563779357.db2.gz GIJZXLQZYLBBGV-BRWVUGGUSA-N 0 0 313.397 3.534 50 0 DHAARN FC(F)(F)c1ccc(NC2CCN(c3ccccn3)CC2)nc1 ZINC000052184760 563785517 /nfs/dbraw/zinc/78/55/17/563785517.db2.gz RFDVODFASKVGKI-UHFFFAOYSA-N 0 0 322.334 3.576 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c(C)noc1C ZINC000052567650 563789082 /nfs/dbraw/zinc/78/90/82/563789082.db2.gz BCQRMPOTIRXAID-OAHLLOKOSA-N 0 0 318.442 3.822 50 0 DHAARN CN(Cc1cnn(-c2ccccc2)c1)c1ncnc2sccc21 ZINC000015140773 563791714 /nfs/dbraw/zinc/79/17/14/563791714.db2.gz HJQXWICUMCJLIX-UHFFFAOYSA-N 0 0 321.409 3.513 50 0 DHAARN CC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1OC ZINC000052748788 563793872 /nfs/dbraw/zinc/79/38/72/563793872.db2.gz WMDTZEVSCMPJAQ-OAHLLOKOSA-N 0 0 315.417 3.528 50 0 DHAARN Oc1cc(Br)c(OC(F)F)c(Br)c1 ZINC000263622992 563794508 /nfs/dbraw/zinc/79/45/08/563794508.db2.gz CSDIUXWVIUQIKU-UHFFFAOYSA-N 0 0 317.911 3.519 50 0 DHAARN CCOc1cccc2sc(NCCn3nc(C)cc3C)nc21 ZINC000034936081 563795541 /nfs/dbraw/zinc/79/55/41/563795541.db2.gz LOQRUFXIBXCPSL-UHFFFAOYSA-N 0 0 316.430 3.620 50 0 DHAARN COc1ccc(-c2nc(COc3ccc(C(C)=O)cc3)no2)cc1 ZINC000031676021 563796032 /nfs/dbraw/zinc/79/60/32/563796032.db2.gz BNXLGGMFBQPTFX-UHFFFAOYSA-N 0 0 324.336 3.527 50 0 DHAARN Cc1nc(C)c(-c2nnc(SCc3nc(C)c(C)o3)o2)s1 ZINC000063536581 563796128 /nfs/dbraw/zinc/79/61/28/563796128.db2.gz DMPXLEMJDPWRDC-UHFFFAOYSA-N 0 0 322.415 3.707 50 0 DHAARN CSCC[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1 ZINC000012476551 563796939 /nfs/dbraw/zinc/79/69/39/563796939.db2.gz UPCVEELDZLUONI-HNNXBMFYSA-N 0 0 317.458 3.664 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccnc1 ZINC000012534467 563798141 /nfs/dbraw/zinc/79/81/41/563798141.db2.gz MNECERWOALIXSL-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cc2ccccc2o1 ZINC000012530774 563798539 /nfs/dbraw/zinc/79/85/39/563798539.db2.gz ZREYMGSUTPGJBO-LLVKDONJSA-N 0 0 305.337 3.800 50 0 DHAARN Cc1noc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000285824862 563799563 /nfs/dbraw/zinc/79/95/63/563799563.db2.gz WOGYRJRMRXCLGE-ZDUSSCGKSA-N 0 0 320.780 3.709 50 0 DHAARN Cc1cc(NC(=O)C2CCC2)n(-c2nc3ccccc3s2)n1 ZINC000003232033 563799670 /nfs/dbraw/zinc/79/96/70/563799670.db2.gz YOPLLFVABPSYFG-UHFFFAOYSA-N 0 0 312.398 3.529 50 0 DHAARN CC(C)N(C(=O)COC(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000003222911 563799784 /nfs/dbraw/zinc/79/97/84/563799784.db2.gz UOEQNJATXDNVHK-UHFFFAOYSA-N 0 0 319.445 3.786 50 0 DHAARN CC(C)(C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1 ZINC000003238515 563799906 /nfs/dbraw/zinc/79/99/06/563799906.db2.gz VOQYGVBXZLTEJV-UHFFFAOYSA-N 0 0 303.402 3.656 50 0 DHAARN Cc1ccc(NC(=O)CSc2ncnc3ccccc32)c(C)c1 ZINC000003254582 563799919 /nfs/dbraw/zinc/79/99/19/563799919.db2.gz DCPCAXTYXVIOOR-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN O=C(c1cc(Cl)ccc1F)N1CCC[C@@H]1c1ccncc1 ZINC000012545098 563800190 /nfs/dbraw/zinc/80/01/90/563800190.db2.gz OYDCDAZDHGKRNM-OAHLLOKOSA-N 0 0 304.752 3.851 50 0 DHAARN O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1ccncc1 ZINC000012545099 563800532 /nfs/dbraw/zinc/80/05/32/563800532.db2.gz OYDCDAZDHGKRNM-HNNXBMFYSA-N 0 0 304.752 3.851 50 0 DHAARN Cc1nc2ccccc2nc1Oc1ccc2ccc(=O)oc2c1 ZINC000012553753 563800969 /nfs/dbraw/zinc/80/09/69/563800969.db2.gz XMVMMOWLHLGUNF-UHFFFAOYSA-N 0 0 304.305 3.837 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCCc3ccccc32)cc1 ZINC000003419785 563802111 /nfs/dbraw/zinc/80/21/11/563802111.db2.gz LXWYLFGKUJXXOB-CQSZACIVSA-N 0 0 322.408 3.669 50 0 DHAARN Cc1ccc(-c2noc(CN3c4ccccc4C[C@H]3C)n2)cc1 ZINC000012592579 563802921 /nfs/dbraw/zinc/80/29/21/563802921.db2.gz LADKGTMUEYXNCV-CQSZACIVSA-N 0 0 305.381 3.996 50 0 DHAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1Cc2ccccc2S1 ZINC000012617177 563803511 /nfs/dbraw/zinc/80/35/11/563803511.db2.gz BKGCOXPBRLIRCI-AFRKLYKTSA-N 0 0 313.466 3.788 50 0 DHAARN CCOc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012605898 563803631 /nfs/dbraw/zinc/80/36/31/563803631.db2.gz QOXGVSYJWKTFND-GOSISDBHSA-N 0 0 310.397 3.517 50 0 DHAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)c(F)c1 ZINC000012606958 563803724 /nfs/dbraw/zinc/80/37/24/563803724.db2.gz AQIQUBDOGOJWAK-LLVKDONJSA-N 0 0 316.351 3.893 50 0 DHAARN CC[C@@H](NC(=O)c1cc(CC(C)C)no1)c1nc(C)c(C)s1 ZINC000299755378 563804272 /nfs/dbraw/zinc/80/42/72/563804272.db2.gz AVNHNVHVTVCWJJ-CYBMUJFWSA-N 0 0 321.446 3.828 50 0 DHAARN CC(C)c1csc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000299781942 563805694 /nfs/dbraw/zinc/80/56/94/563805694.db2.gz VAZSEEFGSDZWPE-CQSZACIVSA-N 0 0 316.426 3.560 50 0 DHAARN C[C@]1(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)CCCCO1 ZINC000299776055 563805713 /nfs/dbraw/zinc/80/57/13/563805713.db2.gz MVINBOLHINMULU-GOSISDBHSA-N 0 0 317.360 3.661 50 0 DHAARN CCCC[C@H](NC(=O)c1ccc(COC)cc1)c1cccnc1 ZINC000299773324 563805768 /nfs/dbraw/zinc/80/57/68/563805768.db2.gz DRPMNOUARJEEQT-SFHVURJKSA-N 0 0 312.413 3.889 50 0 DHAARN CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc2ncsc2c1 ZINC000299776932 563805913 /nfs/dbraw/zinc/80/59/13/563805913.db2.gz ILINMZPGUVADLL-CYBMUJFWSA-N 0 0 319.430 3.719 50 0 DHAARN CCSCCN(C(=O)Nc1ccc[nH]c1=O)C1CCCCC1 ZINC000299802702 563807007 /nfs/dbraw/zinc/80/70/07/563807007.db2.gz NOSJDSOMIPMUCW-UHFFFAOYSA-N 0 0 323.462 3.707 50 0 DHAARN Cc1nnc(CN2CCC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000299801025 563806995 /nfs/dbraw/zinc/80/69/95/563806995.db2.gz WYGHNQIHSGLSDM-ZDUSSCGKSA-N 0 0 307.850 3.880 50 0 DHAARN Cc1cc(=O)c(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c(C)[nH]1 ZINC000299800932 563807005 /nfs/dbraw/zinc/80/70/05/563807005.db2.gz XDWCUGHUMXHTMJ-AWEZNQCLSA-N 0 0 304.434 3.692 50 0 DHAARN O=[S@](Cc1ccc(F)cc1)Cc1ccc(OC(F)F)cc1 ZINC000078556227 563808275 /nfs/dbraw/zinc/80/82/75/563808275.db2.gz UZQWUHIWRFWJGF-NRFANRHFSA-N 0 0 314.328 3.876 50 0 DHAARN Cc1ccc(NC(=O)CCc2ccccc2)cc1N1CCCC1=O ZINC000005440692 563809382 /nfs/dbraw/zinc/80/93/82/563809382.db2.gz PZRBVNJRDOVWTO-UHFFFAOYSA-N 0 0 322.408 3.693 50 0 DHAARN O=C(Oc1ccc(Cl)cc1)c1cccnc1N1CCCC1 ZINC000025686358 563810211 /nfs/dbraw/zinc/81/02/11/563810211.db2.gz BWAFRJVOYJCRSH-UHFFFAOYSA-N 0 0 302.761 3.554 50 0 DHAARN CCOCCN(C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000093369639 563811306 /nfs/dbraw/zinc/81/13/06/563811306.db2.gz UIJRXYQRKMEZRD-CQSZACIVSA-N 0 0 306.450 3.723 50 0 DHAARN C(=C/c1ccccc1)\Cn1ccc(-c2ccc3c(c2)OCO3)n1 ZINC000001394878 563817393 /nfs/dbraw/zinc/81/73/93/563817393.db2.gz SIYXSCKFVHSFBQ-QPJJXVBHSA-N 0 0 304.349 3.992 50 0 DHAARN COc1c(Cl)cc(Cl)cc1CNc1ccc2[nH]nnc2c1 ZINC000083915195 563817512 /nfs/dbraw/zinc/81/75/12/563817512.db2.gz DCQDYHQQZWNETE-UHFFFAOYSA-N 0 0 323.183 3.885 50 0 DHAARN Cc1ccc(S(=O)(=O)CC[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000001404582 563819537 /nfs/dbraw/zinc/81/95/37/563819537.db2.gz FCGYIIUYGHSPRC-MRXNPFEDSA-N 0 0 324.829 3.546 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000084026981 563821195 /nfs/dbraw/zinc/82/11/95/563821195.db2.gz GPSFMGHTWNCPKN-KRWDZBQOSA-N 0 0 324.424 3.840 50 0 DHAARN Cc1cc(CNC(=O)c2cc(F)cc(F)c2)c2ccccc2n1 ZINC000001422054 563822873 /nfs/dbraw/zinc/82/28/73/563822873.db2.gz YPLLSOHKLHNQQV-UHFFFAOYSA-N 0 0 312.319 3.751 50 0 DHAARN Cc1cc(CC(=O)N2CCC[C@H]2c2ccccc2Cl)no1 ZINC000084116990 563822994 /nfs/dbraw/zinc/82/29/94/563822994.db2.gz YEWORCSEFXFMFN-HNNXBMFYSA-N 0 0 304.777 3.543 50 0 DHAARN Cc1nc2c(sc(=S)n2C)c(N2CCc3ccccc32)n1 ZINC000001421425 563823043 /nfs/dbraw/zinc/82/30/43/563823043.db2.gz YOOYVJDCGMFXKP-UHFFFAOYSA-N 0 0 314.439 3.762 50 0 DHAARN O=c1c2ccccc2ncn1-c1ccc(OC(F)(F)Cl)cc1 ZINC000001428629 563823540 /nfs/dbraw/zinc/82/35/40/563823540.db2.gz RDROEILGWMGTDD-UHFFFAOYSA-N 0 0 322.698 3.554 50 0 DHAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2o1 ZINC000012753329 563824729 /nfs/dbraw/zinc/82/47/29/563824729.db2.gz MLFXJOHLRMJOIT-LBPRGKRZSA-N 0 0 309.369 3.884 50 0 DHAARN Nc1c(Cl)cc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1Cl ZINC000084422134 563826894 /nfs/dbraw/zinc/82/68/94/563826894.db2.gz SZFIJRCVESPJND-QWRGUYRKSA-N 0 0 322.195 3.713 50 0 DHAARN COc1ccc(CCCC(=O)N2C[C@@H]3CC=CC[C@H]3C2)cc1F ZINC000084552622 563827323 /nfs/dbraw/zinc/82/73/23/563827323.db2.gz LDGOMIWNQWPFTE-HOTGVXAUSA-N 0 0 317.404 3.582 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1C[C@@H]1c1ccco1 ZINC000084525069 563827488 /nfs/dbraw/zinc/82/74/88/563827488.db2.gz QNNIAOYVBCOICF-JENIJYKNSA-N 0 0 318.376 3.684 50 0 DHAARN CSc1nc2ccc(NC(=O)c3ccncc3)cc2s1 ZINC000012770656 563828132 /nfs/dbraw/zinc/82/81/32/563828132.db2.gz CYEPGQFPVWHLNW-UHFFFAOYSA-N 0 0 301.396 3.666 50 0 DHAARN O=C(NCc1csc2ccccc12)Nn1cnc2ccccc21 ZINC000084593146 563828502 /nfs/dbraw/zinc/82/85/02/563828502.db2.gz UJPIBMJWSJRIFS-UHFFFAOYSA-N 0 0 322.393 3.704 50 0 DHAARN CC(C)n1cc2cc(NC(=O)CCCc3ccccn3)ccc2n1 ZINC000084633203 563828835 /nfs/dbraw/zinc/82/88/35/563828835.db2.gz DNSRAGKJDYHBNV-UHFFFAOYSA-N 0 0 322.412 3.974 50 0 DHAARN Cc1nn2c(nc(N3CCCCC3)c3ccccc32)c1Cl ZINC000012775243 563828896 /nfs/dbraw/zinc/82/88/96/563828896.db2.gz ALAHOFAIMZCUCB-UHFFFAOYSA-N 0 0 300.793 3.835 50 0 DHAARN C[C@H](CC(=O)OC[C@H]1CCN(c2ccccc2)C1)c1ccncc1 ZINC000084636941 563828930 /nfs/dbraw/zinc/82/89/30/563828930.db2.gz ZNUKDJIGJOKJGA-SJORKVTESA-N 0 0 324.424 3.645 50 0 DHAARN N#CN(Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1 ZINC000084648515 563829023 /nfs/dbraw/zinc/82/90/23/563829023.db2.gz GPRSDOSAUXICHV-UHFFFAOYSA-N 0 0 314.392 3.849 50 0 DHAARN C[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1nc2ccccc2s1 ZINC000084638300 563829171 /nfs/dbraw/zinc/82/91/71/563829171.db2.gz DNRBXPNUZGKPFZ-QWHCGFSZSA-N 0 0 300.427 3.872 50 0 DHAARN C[C@H](NCc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1 ZINC000012780895 563830560 /nfs/dbraw/zinc/83/05/60/563830560.db2.gz HPRFYOIQYWPYLT-JTQLQIEISA-N 0 0 303.749 3.834 50 0 DHAARN CCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000012782855 563830592 /nfs/dbraw/zinc/83/05/92/563830592.db2.gz UMWCOSJBYOSPIB-UHFFFAOYSA-N 0 0 307.353 3.523 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C ZINC000012784313 563831319 /nfs/dbraw/zinc/83/13/19/563831319.db2.gz BIAQGNUAEAJPGH-UHFFFAOYSA-N 0 0 322.408 3.678 50 0 DHAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000084796812 563831460 /nfs/dbraw/zinc/83/14/60/563831460.db2.gz JOTVWNDYCVQIAW-RYUDHWBXSA-N 0 0 318.760 3.634 50 0 DHAARN CCS(=O)(=O)c1ccc(NCc2csc(C(C)C)n2)cc1 ZINC000084811654 563831567 /nfs/dbraw/zinc/83/15/67/563831567.db2.gz CKQNSJOFNMNHMS-UHFFFAOYSA-N 0 0 324.471 3.672 50 0 DHAARN CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(C)cs2)cc1 ZINC000012810559 563835729 /nfs/dbraw/zinc/83/57/29/563835729.db2.gz UAIZAYFKHDOFBV-JTQLQIEISA-N 0 0 320.439 3.773 50 0 DHAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc(F)c2)S1 ZINC000085412367 563835893 /nfs/dbraw/zinc/83/58/93/563835893.db2.gz FNGXFRVSDYPQBP-CYBMUJFWSA-N 0 0 305.378 3.783 50 0 DHAARN O=C(Nc1nc2c(s1)CCC2)c1cc(-c2ccccc2)on1 ZINC000053177098 563836149 /nfs/dbraw/zinc/83/61/49/563836149.db2.gz LTVVTPKDQVZIMF-UHFFFAOYSA-N 0 0 311.366 3.539 50 0 DHAARN O=C(Nc1cccc2ncccc21)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012814053 563836569 /nfs/dbraw/zinc/83/65/69/563836569.db2.gz NGQCWTREVFCSEZ-PBWFPOADSA-N 0 0 308.381 3.569 50 0 DHAARN Fc1cccc(-c2nnc3sc(-c4ccccc4)nn32)c1F ZINC000012389842 563837080 /nfs/dbraw/zinc/83/70/80/563837080.db2.gz VPUQAKOYHPEYMQ-UHFFFAOYSA-N 0 0 314.320 3.798 50 0 DHAARN Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000012816619 563837213 /nfs/dbraw/zinc/83/72/13/563837213.db2.gz BHIPYPHPLKCOSO-UHFFFAOYSA-N 0 0 317.392 3.922 50 0 DHAARN COc1ccc(SCC2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000085472352 563838263 /nfs/dbraw/zinc/83/82/63/563838263.db2.gz DEKJMMOHOVKKBI-UHFFFAOYSA-N 0 0 322.474 3.617 50 0 DHAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)C1CC1 ZINC000085471019 563838350 /nfs/dbraw/zinc/83/83/50/563838350.db2.gz UQEKTTOIAZMIHU-UHFFFAOYSA-N 0 0 306.818 3.798 50 0 DHAARN C[C@H]1Oc2ccccc2C=C1/C=C1/N=C(c2ccccc2)OC1=O ZINC000001481435 563839315 /nfs/dbraw/zinc/83/93/15/563839315.db2.gz CSAOVZIYSPZVLG-LVLBFHFTSA-N 0 0 317.344 3.738 50 0 DHAARN O=C(COc1ccc(Cl)cc1Cl)c1ccc(O)cc1O ZINC000001504618 563841101 /nfs/dbraw/zinc/84/11/01/563841101.db2.gz ZTAXVSVKJUUKEK-UHFFFAOYSA-N 0 0 313.136 3.666 50 0 DHAARN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cccn1 ZINC000012849831 563844386 /nfs/dbraw/zinc/84/43/86/563844386.db2.gz MKKJAWNBOVAFLR-MRVPVSSYSA-N 0 0 317.698 3.755 50 0 DHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1 ZINC000012853008 563845028 /nfs/dbraw/zinc/84/50/28/563845028.db2.gz MXXVPAPBPRCBIB-UHFFFAOYSA-N 0 0 317.414 3.753 50 0 DHAARN Cc1nc(C)c(CNC(=O)N([C@H](C)c2ccco2)C2CC2)s1 ZINC000086424489 563845536 /nfs/dbraw/zinc/84/55/36/563845536.db2.gz LCLYGUZSCWDUJS-LLVKDONJSA-N 0 0 319.430 3.788 50 0 DHAARN Cc1ccc(CNC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000012866192 563845571 /nfs/dbraw/zinc/84/55/71/563845571.db2.gz SHUVPTADPUTKHN-HNNXBMFYSA-N 0 0 312.413 3.521 50 0 DHAARN CC(C)(C)O[C@@H]1C23CCCCC2(CS1(=O)=O)CCCC3 ZINC000045027840 563848133 /nfs/dbraw/zinc/84/81/33/563848133.db2.gz SILQKWRELKSLHO-JEYLPNPQSA-N 0 0 300.464 3.677 50 0 DHAARN CCCCc1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 ZINC000012880957 563851489 /nfs/dbraw/zinc/85/14/89/563851489.db2.gz JRVAHZWCDHWHCA-GOSISDBHSA-N 0 0 324.432 3.671 50 0 DHAARN CC(C)n1ncc2cc(C(=O)NCCC3=CCCCC3)cnc21 ZINC000012884613 563852585 /nfs/dbraw/zinc/85/25/85/563852585.db2.gz MFGYEVVCHBTFFP-UHFFFAOYSA-N 0 0 312.417 3.633 50 0 DHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000012905589 563853093 /nfs/dbraw/zinc/85/30/93/563853093.db2.gz LAGRBEBTKYENJA-HNNXBMFYSA-N 0 0 321.380 3.587 50 0 DHAARN CCC[C@@H](C)NC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000012905707 563853117 /nfs/dbraw/zinc/85/31/17/563853117.db2.gz BTCVNQHBWDXEQM-LLVKDONJSA-N 0 0 322.405 3.780 50 0 DHAARN C[C@H](c1ccccn1)N(C(=O)c1ncoc1-c1ccco1)C1CC1 ZINC000074502146 563853406 /nfs/dbraw/zinc/85/34/06/563853406.db2.gz QQMFENXWOMHLLN-GFCCVEGCSA-N 0 0 323.352 3.695 50 0 DHAARN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 ZINC000012916555 563853720 /nfs/dbraw/zinc/85/37/20/563853720.db2.gz ORJPWXVADONRQL-NSHDSACASA-N 0 0 314.335 3.866 50 0 DHAARN CCOc1cc2c(cc1NC(=O)c1ccc(F)cc1)O[C@@H](C)C2 ZINC000012927246 563854907 /nfs/dbraw/zinc/85/49/07/563854907.db2.gz CVROPFHKAWMWOY-NSHDSACASA-N 0 0 315.344 3.800 50 0 DHAARN O=C(NC[C@@H](O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000074558716 563854918 /nfs/dbraw/zinc/85/49/18/563854918.db2.gz IUXGBMIBJPXQAQ-LLVKDONJSA-N 0 0 316.209 3.518 50 0 DHAARN Cc1ccccc1[C@H](C)NC(=O)NCCc1ccc(F)cc1 ZINC000012926816 563855087 /nfs/dbraw/zinc/85/50/87/563855087.db2.gz KFODQYVMWONJDB-AWEZNQCLSA-N 0 0 300.377 3.737 50 0 DHAARN O=C(NCc1cncc(-c2ccco2)c1)c1ccc(Cl)s1 ZINC000575414507 563855964 /nfs/dbraw/zinc/85/59/64/563855964.db2.gz UTOLORACZKUPIF-UHFFFAOYSA-N 0 0 318.785 3.987 50 0 DHAARN CCOC(=O)c1c(=O)[nH]c2cc(C)ccc2c1-c1ccccc1 ZINC000075109535 563860143 /nfs/dbraw/zinc/86/01/43/563860143.db2.gz YJBWJDHDKLWGKD-UHFFFAOYSA-N 0 0 307.349 3.680 50 0 DHAARN CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000075137955 563860663 /nfs/dbraw/zinc/86/06/63/563860663.db2.gz FDKFOCWAXWOURB-UHFFFAOYSA-N 0 0 311.316 3.518 50 0 DHAARN C[C@@](O)(CNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000075155366 563860716 /nfs/dbraw/zinc/86/07/16/563860716.db2.gz YVMCVMMSWSPTDE-HXUWFJFHSA-N 0 0 321.376 3.584 50 0 DHAARN CCc1cc(N(C)[C@H](C)c2ccccn2)nc(-c2ccncc2)n1 ZINC000075138123 563860977 /nfs/dbraw/zinc/86/09/77/563860977.db2.gz OCDLNCDHRATWCX-CQSZACIVSA-N 0 0 319.412 3.693 50 0 DHAARN CC(C)(C)c1ccc(NC(=O)NCc2cnn3ccccc23)cc1 ZINC000075162913 563861192 /nfs/dbraw/zinc/86/11/92/563861192.db2.gz SFQWFDFDWHJAAA-UHFFFAOYSA-N 0 0 322.412 3.954 50 0 DHAARN COCCCNC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000075352909 563864332 /nfs/dbraw/zinc/86/43/32/563864332.db2.gz DHQQWIZIVRSRPA-UHFFFAOYSA-N 0 0 323.396 3.993 50 0 DHAARN CCOc1cccc2[nH]cc(CC(=O)NCCCC(C)(F)F)c21 ZINC000295661181 563864641 /nfs/dbraw/zinc/86/46/41/563864641.db2.gz VYOAMAMQKSLVDA-UHFFFAOYSA-N 0 0 324.371 3.661 50 0 DHAARN Cc1onc(-c2c(Cl)cccc2Cl)c1Cn1cncn1 ZINC000000075843 563865069 /nfs/dbraw/zinc/86/50/69/563865069.db2.gz CPRDDZPKOPCCAL-UHFFFAOYSA-N 0 0 309.156 3.597 50 0 DHAARN CCOc1cc(C)ccc1NC(=O)c1cccc(-n2ccnc2)c1 ZINC000117620537 563865244 /nfs/dbraw/zinc/86/52/44/563865244.db2.gz HQFLHTICTIVLED-UHFFFAOYSA-N 0 0 321.380 3.832 50 0 DHAARN O=C(NCCc1ccccc1)NCc1ccc(-c2ccco2)o1 ZINC000575609484 563865658 /nfs/dbraw/zinc/86/56/58/563865658.db2.gz CINZFURMXZUBGQ-UHFFFAOYSA-N 0 0 310.353 3.582 50 0 DHAARN CCONC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 ZINC000053720205 563866029 /nfs/dbraw/zinc/86/60/29/563866029.db2.gz MQTJYUVLPQBHSH-UHFFFAOYSA-N 0 0 320.392 3.820 50 0 DHAARN CC(C)CC[C@@H](c1ccccc1)N(C)C(=O)c1csnn1 ZINC000063871999 563866816 /nfs/dbraw/zinc/86/68/16/563866816.db2.gz RETKJPNJZLJPQW-HNNXBMFYSA-N 0 0 303.431 3.788 50 0 DHAARN O=C(/C=C/c1ccccc1)N1CCc2sc(Cl)cc2C1 ZINC000575616343 563867060 /nfs/dbraw/zinc/86/70/60/563867060.db2.gz NDAQHPYZOIMRBU-VOTSOKGWSA-N 0 0 303.814 4.000 50 0 DHAARN O=C(NCc1cncc(C2CC2)c1)c1c(F)cccc1Cl ZINC000575619148 563867627 /nfs/dbraw/zinc/86/76/27/563867627.db2.gz HLJYHKBRVJIRDK-UHFFFAOYSA-N 0 0 304.752 3.682 50 0 DHAARN FC(F)(F)[C@@H](Cc1ccccc1)NC1Cc2ccccc2C1 ZINC000090456199 563870288 /nfs/dbraw/zinc/87/02/88/563870288.db2.gz LCKVAIDGYYJJJO-QGZVFWFLSA-N 0 0 305.343 3.917 50 0 DHAARN CCCc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000035594951 563872280 /nfs/dbraw/zinc/87/22/80/563872280.db2.gz DSKDYBSSXISGTC-LJQANCHMSA-N 0 0 309.409 3.853 50 0 DHAARN Cc1ccccc1N1C(=O)S/C(=C/c2ccc(O)cc2)C1=O ZINC000035624501 563872654 /nfs/dbraw/zinc/87/26/54/563872654.db2.gz XDQUCRIAANYZIG-XNTDXEJSSA-N 0 0 311.362 3.942 50 0 DHAARN CC[C@](C)(Nc1ccccc1)c1nnnn1-c1cccc(C)c1 ZINC000035622128 563872666 /nfs/dbraw/zinc/87/26/66/563872666.db2.gz SJPARASPZZUIHJ-SFHVURJKSA-N 0 0 307.401 3.708 50 0 DHAARN Cc1ccc(NC(C)(C)c2nnnn2-c2ccc(C)cc2)cc1 ZINC000035622103 563872864 /nfs/dbraw/zinc/87/28/64/563872864.db2.gz MMPHWFSXGLUXAG-UHFFFAOYSA-N 0 0 307.401 3.626 50 0 DHAARN Cc1ccccc1NC1(c2nnnn2-c2ccccc2)CCCC1 ZINC000035622097 563873030 /nfs/dbraw/zinc/87/30/30/563873030.db2.gz HTMHCYVDHAXMJT-UHFFFAOYSA-N 0 0 319.412 3.852 50 0 DHAARN CCNc1cc(C)ccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000191376732 563873523 /nfs/dbraw/zinc/87/35/23/563873523.db2.gz BUGVAHJXCNNECR-UHFFFAOYSA-N 0 0 321.380 3.521 50 0 DHAARN CCc1ccc(NC(=O)CCCNC(=O)c2ccc(C)cc2)cc1 ZINC000035673167 563873894 /nfs/dbraw/zinc/87/38/94/563873894.db2.gz XSBHXVPZBOHEPN-UHFFFAOYSA-N 0 0 324.424 3.706 50 0 DHAARN CCn1nccc1NC(=O)c1ccccc1Oc1ccccc1 ZINC000012999740 563874517 /nfs/dbraw/zinc/87/45/17/563874517.db2.gz LYIWMMDWCMYPQM-UHFFFAOYSA-N 0 0 307.353 3.948 50 0 DHAARN C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000013000370 563875098 /nfs/dbraw/zinc/87/50/98/563875098.db2.gz MXMMRKMCTBFSOK-GFCCVEGCSA-N 0 0 309.818 3.521 50 0 DHAARN Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccccc1F ZINC000013009496 563875586 /nfs/dbraw/zinc/87/55/86/563875586.db2.gz DBOCZMSWDPENBT-CQSZACIVSA-N 0 0 300.377 3.737 50 0 DHAARN CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000090762851 563875596 /nfs/dbraw/zinc/87/55/96/563875596.db2.gz ZVSACHBDANCMJU-NWDGAFQWSA-N 0 0 315.417 3.704 50 0 DHAARN CN(C)C(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000013014017 563876717 /nfs/dbraw/zinc/87/67/17/563876717.db2.gz KSXZPPDKMWDWQA-UHFFFAOYSA-N 0 0 302.418 3.687 50 0 DHAARN CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3)CC2=O)c1 ZINC000013022045 563876747 /nfs/dbraw/zinc/87/67/47/563876747.db2.gz DEECKTJGOATQSB-INIZCTEOSA-N 0 0 322.408 3.549 50 0 DHAARN O=C(COc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 ZINC000001749817 563877663 /nfs/dbraw/zinc/87/76/63/563877663.db2.gz WJVIAXJQUQFZMA-UHFFFAOYSA-N 0 0 310.180 3.689 50 0 DHAARN COCC/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(C)cc21 ZINC000001780710 563878784 /nfs/dbraw/zinc/87/87/84/563878784.db2.gz FQIOLRAOFLNXMF-DYTRJAOYSA-N 0 0 323.392 3.964 50 0 DHAARN CC(=O)Nc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000091681914 563879243 /nfs/dbraw/zinc/87/92/43/563879243.db2.gz RDHCKCMQHQQXGN-UHFFFAOYSA-N 0 0 324.424 3.688 50 0 DHAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1ccncc1 ZINC000000422459 563879252 /nfs/dbraw/zinc/87/92/52/563879252.db2.gz APUOSMIWAIFJBP-UHFFFAOYSA-N 0 0 310.426 3.961 50 0 DHAARN CCSCc1cccc(NC(=O)NCCc2ccncc2)c1 ZINC000089275289 563879464 /nfs/dbraw/zinc/87/94/64/563879464.db2.gz KAHXWXHGKWFQBL-UHFFFAOYSA-N 0 0 315.442 3.699 50 0 DHAARN CC(=O)O[C@@]1(Cc2ccccc2)CN2CC[C@H]1c1ccccc12 ZINC000239339202 563879944 /nfs/dbraw/zinc/87/99/44/563879944.db2.gz LVHTUQSUYMWMGX-ICSRJNTNSA-N 0 0 307.393 3.539 50 0 DHAARN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)c1ccncc1 ZINC000091842315 563881410 /nfs/dbraw/zinc/88/14/10/563881410.db2.gz RHHZDEQVKUGGNC-ROUUACIJSA-N 0 0 308.425 3.588 50 0 DHAARN CCOCOc1ccc(COC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000245850734 563882115 /nfs/dbraw/zinc/88/21/15/563882115.db2.gz FZNSVUWAPAGXDU-FVQHAEBGSA-N 0 0 304.386 3.539 50 0 DHAARN CCCOc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1 ZINC000001891149 563882890 /nfs/dbraw/zinc/88/28/90/563882890.db2.gz RSGPKVLSRLPEID-UHFFFAOYSA-N 0 0 309.365 3.513 50 0 DHAARN COc1cc(OC)c(C(=O)O[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000247850488 563883528 /nfs/dbraw/zinc/88/35/28/563883528.db2.gz AGHLLFVFFAIZDA-ITGUQSILSA-N 0 0 322.401 3.694 50 0 DHAARN Cc1nc(-c2c(C)cc(C)nc2NC(=O)C2CCCCC2)no1 ZINC000075550869 563883795 /nfs/dbraw/zinc/88/37/95/563883795.db2.gz AGNDEUAITGGUCA-UHFFFAOYSA-N 0 0 314.389 3.576 50 0 DHAARN CCOc1cccc(CNC(=O)CCc2ccc3cc[nH]c3c2)c1 ZINC000075550867 563883933 /nfs/dbraw/zinc/88/39/33/563883933.db2.gz GUBJDVVUJIEMFU-UHFFFAOYSA-N 0 0 322.408 3.816 50 0 DHAARN CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000089355918 563884680 /nfs/dbraw/zinc/88/46/80/563884680.db2.gz YMWBHTYUYCEUIH-KGLIPLIRSA-N 0 0 315.335 3.719 50 0 DHAARN C[C@H](NC(=O)[C@H]1CSCCS1)c1ccc(F)c(Cl)c1 ZINC000075572783 563884720 /nfs/dbraw/zinc/88/47/20/563884720.db2.gz NINDWQKLVGJXTF-QPUJVOFHSA-N 0 0 319.854 3.505 50 0 DHAARN CC[C@@H]1COCCN1C(=O)c1oc2ccc(Cl)cc2c1C ZINC000075613134 563884762 /nfs/dbraw/zinc/88/47/62/563884762.db2.gz UYZFDJKHEDRPMU-GFCCVEGCSA-N 0 0 307.777 3.646 50 0 DHAARN O=C(CSc1nnc2ccc3ccccc3n21)c1ccccc1 ZINC000001924216 563886009 /nfs/dbraw/zinc/88/60/09/563886009.db2.gz YHBZGJWBBXSWNK-UHFFFAOYSA-N 0 0 319.389 3.858 50 0 DHAARN CCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)NC(C)C ZINC000036012724 563892209 /nfs/dbraw/zinc/89/22/09/563892209.db2.gz BMEMYPRFNHNXCY-UHFFFAOYSA-N 0 0 319.380 3.811 50 0 DHAARN CCCCC(=O)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064663035 563892253 /nfs/dbraw/zinc/89/22/53/563892253.db2.gz KBDKWHYMYITGKH-UHFFFAOYSA-N 0 0 309.413 3.625 50 0 DHAARN CCn1cnc2ccc(-c3noc(COc4ccccc4)n3)cc21 ZINC000064759513 563893633 /nfs/dbraw/zinc/89/36/33/563893633.db2.gz YMEFLNWNYQDJGS-UHFFFAOYSA-N 0 0 320.352 3.685 50 0 DHAARN CC(C)n1nnc2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc21 ZINC000064818491 563894228 /nfs/dbraw/zinc/89/42/28/563894228.db2.gz LBOVSUKRAUFSGV-ZDUSSCGKSA-N 0 0 320.396 3.604 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3c(C)cccc3CC)ccc21 ZINC000064818606 563894475 /nfs/dbraw/zinc/89/44/75/563894475.db2.gz ZNJATLDUYJOFIN-UHFFFAOYSA-N 0 0 322.412 3.964 50 0 DHAARN CCN1CCN(C(=O)Nc2cc(C)cc(C)c2)c2cccnc21 ZINC000064929408 563894590 /nfs/dbraw/zinc/89/45/90/563894590.db2.gz YVVOXLDRAKSMQQ-UHFFFAOYSA-N 0 0 310.401 3.577 50 0 DHAARN CCc1ccccc1NC(=O)N1CCN(CC)c2ncccc21 ZINC000064929426 563894728 /nfs/dbraw/zinc/89/47/28/563894728.db2.gz FUXRFKWBNDBVGK-UHFFFAOYSA-N 0 0 310.401 3.522 50 0 DHAARN Cc1cccc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)c1 ZINC000064960876 563895210 /nfs/dbraw/zinc/89/52/10/563895210.db2.gz WKUIMYWJNKDNJB-UHFFFAOYSA-N 0 0 317.348 3.564 50 0 DHAARN CCCCC(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 ZINC000036352983 563895878 /nfs/dbraw/zinc/89/58/78/563895878.db2.gz MZFMTHCAJPWNSI-UHFFFAOYSA-N 0 0 311.341 3.724 50 0 DHAARN Cc1noc2nc(C)cc(C(=O)Nc3ccc4cc[nH]c4c3)c12 ZINC000036353243 563895914 /nfs/dbraw/zinc/89/59/14/563895914.db2.gz XJZVJMQDKPFRJI-UHFFFAOYSA-N 0 0 306.325 3.573 50 0 DHAARN CC[C@H]1CN(C(=O)Nc2ccc(OC)cc2)c2ccccc2O1 ZINC000006844431 563896633 /nfs/dbraw/zinc/89/66/33/563896633.db2.gz HTQOYOFAEQACMM-AWEZNQCLSA-N 0 0 312.369 3.905 50 0 DHAARN Fc1cc(Cl)ccc1-c1nnc2sc(-c3ccco3)nn21 ZINC000036365477 563896721 /nfs/dbraw/zinc/89/67/21/563896721.db2.gz YKAITXVEYRESRS-UHFFFAOYSA-N 0 0 320.736 3.905 50 0 DHAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2nc(N)sc21 ZINC000036366380 563896741 /nfs/dbraw/zinc/89/67/41/563896741.db2.gz AOEUECGCIASQSW-JTQLQIEISA-N 0 0 303.387 3.636 50 0 DHAARN O=C(NCc1cnoc1-c1ccc(F)cc1)c1ccccc1F 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O=C(/C=C/c1ccco1)N(Cc1cccs1)C1CCOCC1 ZINC000207961190 563899189 /nfs/dbraw/zinc/89/91/89/563899189.db2.gz LHYOWVCLPNJJJG-AATRIKPKSA-N 0 0 317.410 3.562 50 0 DHAARN CCCOc1ccc(NC(=O)c2ccccn2)cc1OCCC ZINC000006932140 563899646 /nfs/dbraw/zinc/89/96/46/563899646.db2.gz YAJAXPWKHLSJRJ-UHFFFAOYSA-N 0 0 314.385 3.912 50 0 DHAARN CC(=O)OCc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000006940604 563900009 /nfs/dbraw/zinc/90/00/09/563900009.db2.gz YUFVTIRIGLOENA-UHFFFAOYSA-N 0 0 317.772 3.964 50 0 DHAARN Cc1ccc2nc(NC3CCCCCCC3)c3nnnn3c2c1 ZINC000006941633 563900116 /nfs/dbraw/zinc/90/01/16/563900116.db2.gz ONIDRZFRCIZQBB-UHFFFAOYSA-N 0 0 310.405 3.506 50 0 DHAARN O=C(NC1CC1)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000006986975 563900901 /nfs/dbraw/zinc/90/09/01/563900901.db2.gz YICSUMXFWMQJJQ-MRXNPFEDSA-N 0 0 319.763 3.878 50 0 DHAARN CCCCN(Cc1ccco1)C(=O)c1noc2c1CCCC2 ZINC000007000327 563901022 /nfs/dbraw/zinc/90/10/22/563901022.db2.gz WPLXGUZQNUANNF-UHFFFAOYSA-N 0 0 302.374 3.589 50 0 DHAARN 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CO[C@@H](CNC(=O)CSC1CCCC1)c1ccc(C)s1 ZINC000096104681 563935397 /nfs/dbraw/zinc/93/53/97/563935397.db2.gz ZECFBKYOBDGZSH-ZDUSSCGKSA-N 0 0 313.488 3.536 50 0 DHAARN CO[C@H](CNC(=O)CCc1ccccc1F)c1ccc(C)s1 ZINC000096104770 563935449 /nfs/dbraw/zinc/93/54/49/563935449.db2.gz IHRNHZWSJHQJNO-OAHLLOKOSA-N 0 0 321.417 3.632 50 0 DHAARN COc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1F ZINC000096120612 563935702 /nfs/dbraw/zinc/93/57/02/563935702.db2.gz VTXKQNZGKBRGFJ-UHFFFAOYSA-N 0 0 319.401 3.916 50 0 DHAARN O=C(NCc1ccco1)c1cc2sccc2n1CC1CC1 ZINC000096280350 563935975 /nfs/dbraw/zinc/93/59/75/563935975.db2.gz OXYQHGHRFNWNJO-UHFFFAOYSA-N 0 0 300.383 3.636 50 0 DHAARN CCN(CC)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000282044770 563936006 /nfs/dbraw/zinc/93/60/06/563936006.db2.gz LHLOLYKMFGHOQL-UHFFFAOYSA-N 0 0 308.275 3.641 50 0 DHAARN Nc1c(-c2ccc(C(F)(F)F)cc2)ncnc1N1CCCCC1 ZINC000096282029 563936016 /nfs/dbraw/zinc/93/60/16/563936016.db2.gz VKRZNOBVCVOLQI-UHFFFAOYSA-N 0 0 322.334 3.735 50 0 DHAARN 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563949116 /nfs/dbraw/zinc/94/91/16/563949116.db2.gz RBCMWKKPBFQYFZ-KRWDZBQOSA-N 0 0 302.805 3.685 50 0 DHAARN Cc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)o1 ZINC000008586588 563949156 /nfs/dbraw/zinc/94/91/56/563949156.db2.gz SMDXMQMPDVGONE-UHFFFAOYSA-N 0 0 310.328 3.969 50 0 DHAARN O=C(NCc1ccccn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067358896 563949262 /nfs/dbraw/zinc/94/92/62/563949262.db2.gz XLACBRLMSIGJGJ-KRWDZBQOSA-N 0 0 309.413 3.561 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1C[C@H]1c1ccccc1 ZINC000067502615 563949339 /nfs/dbraw/zinc/94/93/39/563949339.db2.gz LUBWXTIURTXCJI-HKUYNNGSSA-N 0 0 304.393 3.773 50 0 DHAARN O=C(CSc1nc2ccccc2[nH]1)c1cc(Cl)ccc1O ZINC000038882710 563949389 /nfs/dbraw/zinc/94/93/89/563949389.db2.gz WLMSHQXPLIWJQX-UHFFFAOYSA-N 0 0 318.785 3.897 50 0 DHAARN Cc1nc(CSc2nnc(Cc3cccc(F)c3)o2)cs1 ZINC000067754575 563949781 /nfs/dbraw/zinc/94/97/81/563949781.db2.gz WJTFTMSVEHAWKA-UHFFFAOYSA-N 0 0 321.402 3.857 50 0 DHAARN c1ccc(-c2nsc(SCc3noc(C4CC4)n3)n2)cc1 ZINC000067737659 563949853 /nfs/dbraw/zinc/94/98/53/563949853.db2.gz VPEZPKRIBFEXOR-UHFFFAOYSA-N 0 0 316.411 3.758 50 0 DHAARN Cc1cc(C)cc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000008708293 563949973 /nfs/dbraw/zinc/94/99/73/563949973.db2.gz CSCLUSLUKQRWDD-ZDUSSCGKSA-N 0 0 314.351 3.516 50 0 DHAARN Cc1cc(NC(=O)Nc2ccc(N3CCCCC3)cc2)no1 ZINC000008707064 563950022 /nfs/dbraw/zinc/95/00/22/563950022.db2.gz WYYYLUJHBPDRDE-UHFFFAOYSA-N 0 0 300.362 3.617 50 0 DHAARN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000008706468 563950056 /nfs/dbraw/zinc/95/00/56/563950056.db2.gz ZNZNWXFQZSKMHD-MRXNPFEDSA-N 0 0 309.344 3.679 50 0 DHAARN COc1ccccc1[C@H](C)NC(=O)c1ccc2ccccc2n1 ZINC000008718968 563950161 /nfs/dbraw/zinc/95/01/61/563950161.db2.gz XPKDFBLNWSMRHG-ZDUSSCGKSA-N 0 0 306.365 3.734 50 0 DHAARN C[C@H]1C[C@@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000008745808 563950470 /nfs/dbraw/zinc/95/04/70/563950470.db2.gz SHEJZAUIPSNJER-WPRPVWTQSA-N 0 0 323.418 3.564 50 0 DHAARN O=C(NCCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000008764683 563950549 /nfs/dbraw/zinc/95/05/49/563950549.db2.gz RBSMHPYJLIDGGJ-UHFFFAOYSA-N 0 0 303.365 3.622 50 0 biogenic DHAARN O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1 ZINC000008762030 563950631 /nfs/dbraw/zinc/95/06/31/563950631.db2.gz YTCROHQVWZYYCI-UHFFFAOYSA-N 0 0 306.365 3.591 50 0 DHAARN CCC(=O)N1CCCc2cc(NC(=O)c3cccs3)ccc21 ZINC000008768617 563950713 /nfs/dbraw/zinc/95/07/13/563950713.db2.gz FCYPLROYNYHARC-UHFFFAOYSA-N 0 0 314.410 3.690 50 0 DHAARN Cc1ccc2oc(C(=O)NCCn3ccc4ccccc43)cc2n1 ZINC000008798613 563950951 /nfs/dbraw/zinc/95/09/51/563950951.db2.gz LSSQFLBWQDLLHM-UHFFFAOYSA-N 0 0 319.364 3.521 50 0 DHAARN CCSc1cncc(N2CC[C@H](c3ccc(OC)cc3)C2)n1 ZINC000068696474 563951185 /nfs/dbraw/zinc/95/11/85/563951185.db2.gz XPKBEXLCHCBVMX-AWEZNQCLSA-N 0 0 315.442 3.591 50 0 DHAARN O=C(Nc1ccnc(Cl)c1)NC1C2CC3CC(C2)CC1C3 ZINC000039931975 563951327 /nfs/dbraw/zinc/95/13/27/563951327.db2.gz CATKVQDDLBBPEA-UHFFFAOYSA-N 0 0 305.809 3.681 50 0 DHAARN COc1ccc(CN(C)C(=O)c2ccc3ncsc3c2)cc1 ZINC000008936087 563951494 /nfs/dbraw/zinc/95/14/94/563951494.db2.gz LYVFWLSEKSLURS-UHFFFAOYSA-N 0 0 312.394 3.577 50 0 DHAARN CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000008945878 563951547 /nfs/dbraw/zinc/95/15/47/563951547.db2.gz AHNZZEDQUVBETI-UHFFFAOYSA-N 0 0 311.362 3.767 50 0 DHAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000040150759 563951640 /nfs/dbraw/zinc/95/16/40/563951640.db2.gz KYPNSWLWCKHQSC-INIZCTEOSA-N 0 0 309.413 3.554 50 0 DHAARN O=C(NC[C@@H]1CCCOC1)C1(c2cccc(Cl)c2)CCCC1 ZINC000040156938 563951663 /nfs/dbraw/zinc/95/16/63/563951663.db2.gz UUKJYVBJRWGNMR-AWEZNQCLSA-N 0 0 321.848 3.695 50 0 DHAARN Cn1c(CN2CCOc3ccccc32)nc2cc(Cl)ccc21 ZINC000040139336 563951673 /nfs/dbraw/zinc/95/16/73/563951673.db2.gz SNEQEQSKLBZTBM-UHFFFAOYSA-N 0 0 313.788 3.626 50 0 DHAARN Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)no1 ZINC000009002076 563951933 /nfs/dbraw/zinc/95/19/33/563951933.db2.gz DLKWUXPMZFLJDI-UHFFFAOYSA-N 0 0 318.336 3.779 50 0 DHAARN C[C@@H](c1cccnc1)N(C)C(=O)NCCCc1cccc(F)c1 ZINC000069148002 563951981 /nfs/dbraw/zinc/95/19/81/563951981.db2.gz HVRDLSQRPZNVIK-AWEZNQCLSA-N 0 0 315.392 3.556 50 0 DHAARN O=c1cc(CSC2=NCCS2)c2cc3c(cc2o1)CCC3 ZINC000009048215 563952026 /nfs/dbraw/zinc/95/20/26/563952026.db2.gz KEGZUQIPVMPSHO-UHFFFAOYSA-N 0 0 317.435 3.618 50 0 DHAARN COc1ccc(OC)c(NC(=O)Cn2c(C)cc3ccccc32)c1 ZINC000009114308 563952510 /nfs/dbraw/zinc/95/25/10/563952510.db2.gz IAGAGWOKJHCMCK-UHFFFAOYSA-N 0 0 324.380 3.606 50 0 DHAARN COc1ccc(C)cc1NCC(=O)Nc1ccc(SC)cc1 ZINC000009118077 563952627 /nfs/dbraw/zinc/95/26/27/563952627.db2.gz LEQFKRHMXVMQPU-UHFFFAOYSA-N 0 0 316.426 3.776 50 0 DHAARN Cc1noc(Cl)c1CC(=O)Nc1ccc(OC(C)C)cc1C ZINC000069442674 563952782 /nfs/dbraw/zinc/95/27/82/563952782.db2.gz BCCLTEBYFCZGJN-UHFFFAOYSA-N 0 0 322.792 3.913 50 0 DHAARN Cn1ccc2c1cccc2C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000069460910 563952943 /nfs/dbraw/zinc/95/29/43/563952943.db2.gz UGWALSMBUDDDFG-GOSISDBHSA-N 0 0 305.381 3.551 50 0 DHAARN O=C(c1cccs1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000069460602 563952988 /nfs/dbraw/zinc/95/29/88/563952988.db2.gz IIKOLARXVCZVMH-GFCCVEGCSA-N 0 0 307.440 3.631 50 0 DHAARN CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2ccoc2)c1 ZINC000069521372 563953125 /nfs/dbraw/zinc/95/31/25/563953125.db2.gz NSNGCKCFLKGITQ-UHFFFAOYSA-N 0 0 316.357 3.557 50 0 DHAARN CC(C)(C)c1nc(CNC(=O)c2c(F)cccc2F)cs1 ZINC000069518592 563953188 /nfs/dbraw/zinc/95/31/88/563953188.db2.gz VBDKORKBRAWEHC-UHFFFAOYSA-N 0 0 310.369 3.649 50 0 DHAARN Cc1ncsc1C(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000069528155 563953232 /nfs/dbraw/zinc/95/32/32/563953232.db2.gz IRPIEWWHSSJZOP-UHFFFAOYSA-N 0 0 322.459 3.678 50 0 DHAARN CC(C)CN1c2ccc(NC(=O)C3CCCC3)cc2CCC1=O ZINC000009137557 563953456 /nfs/dbraw/zinc/95/34/56/563953456.db2.gz WOQFRQXSAZJJNI-UHFFFAOYSA-N 0 0 314.429 3.751 50 0 DHAARN CCc1nnc(SCc2nc(-c3ccsc3)oc2C)[nH]1 ZINC000069561761 563953527 /nfs/dbraw/zinc/95/35/27/563953527.db2.gz MIRIJCBJCSOIMD-UHFFFAOYSA-N 0 0 306.416 3.684 50 0 DHAARN C[C@@H](c1ccccc1F)N(Cc1nnc(C2CC2)o1)C1CC1 ZINC000069563847 563953548 /nfs/dbraw/zinc/95/35/48/563953548.db2.gz GNJXMKQAYZBPKS-NSHDSACASA-N 0 0 301.365 3.812 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000069582574 563953828 /nfs/dbraw/zinc/95/38/28/563953828.db2.gz OGOKXHXVXYGVQG-GFCCVEGCSA-N 0 0 311.307 3.701 50 0 DHAARN O=C(Nc1n[nH]c(-c2ccoc2)n1)c1ccc(Cl)cc1Cl ZINC000069653557 563953995 /nfs/dbraw/zinc/95/39/95/563953995.db2.gz UARDFEJGPMGSKR-UHFFFAOYSA-N 0 0 323.139 3.624 50 0 DHAARN CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1 ZINC000009185563 563954010 /nfs/dbraw/zinc/95/40/10/563954010.db2.gz POJJAFJYLNMWOH-UHFFFAOYSA-N 0 0 324.380 3.562 50 0 DHAARN CN(C(=O)C1CCCC1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000069619246 563954021 /nfs/dbraw/zinc/95/40/21/563954021.db2.gz GYQCSQFOZVCMMP-GOSISDBHSA-N 0 0 312.388 3.959 50 0 DHAARN CSCCc1ccc(NC(=O)N(C)Cc2ccco2)cc1 ZINC000069685634 563954200 /nfs/dbraw/zinc/95/42/00/563954200.db2.gz YUQFQLFROYGDET-UHFFFAOYSA-N 0 0 304.415 3.849 50 0 DHAARN Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC(F)(F)F ZINC000069708299 563954294 /nfs/dbraw/zinc/95/42/94/563954294.db2.gz WSGYSHIRHREDSY-UHFFFAOYSA-N 0 0 314.332 3.753 50 0 DHAARN c1csc([C@@H]2c3ccsc3CCN2Cc2ccno2)c1 ZINC000069740534 563954449 /nfs/dbraw/zinc/95/44/49/563954449.db2.gz PFISMRJCBDIUNA-HNNXBMFYSA-N 0 0 302.424 3.945 50 0 DHAARN CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)C(C)C ZINC000009265551 563954644 /nfs/dbraw/zinc/95/46/44/563954644.db2.gz HQGMURBBMNJOBV-UHFFFAOYSA-N 0 0 302.374 3.509 50 0 DHAARN Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 ZINC000009317915 563954958 /nfs/dbraw/zinc/95/49/58/563954958.db2.gz FRNDBIIQQIVOTA-OAHLLOKOSA-N 0 0 319.364 3.566 50 0 DHAARN O=C(c1ncc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 ZINC000009321852 563955250 /nfs/dbraw/zinc/95/52/50/563955250.db2.gz IEOUICYCKRYRLO-UHFFFAOYSA-N 0 0 322.339 3.679 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000009363929 563955391 /nfs/dbraw/zinc/95/53/91/563955391.db2.gz KVJPEWNYYOYKOU-UHFFFAOYSA-N 0 0 316.788 3.571 50 0 DHAARN CC[C@@H](Nc1cc2oc3ccccc3c2cc1OC)C(=O)OC ZINC000009368715 563955539 /nfs/dbraw/zinc/95/55/39/563955539.db2.gz GQNOXUZWALYCER-CYBMUJFWSA-N 0 0 313.353 3.958 50 0 DHAARN C[C@H]1CCCN(c2nc3ccccc3c(N3CCCCC3)n2)C1 ZINC000041148638 563955745 /nfs/dbraw/zinc/95/57/45/563955745.db2.gz QPHAODBYBKTQMK-HNNXBMFYSA-N 0 0 310.445 3.856 50 0 DHAARN O=C(CCc1csc(-c2ccccc2)n1)N1CCCCC1 ZINC000041191879 563955749 /nfs/dbraw/zinc/95/57/49/563955749.db2.gz MXYBDTWQHWSZTK-UHFFFAOYSA-N 0 0 300.427 3.755 50 0 DHAARN COC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000041195319 563955754 /nfs/dbraw/zinc/95/57/54/563955754.db2.gz NESIHQBMOIMJLO-UHFFFAOYSA-N 0 0 306.321 3.723 50 0 DHAARN C[C@@H]1CCCN(c2nc3ccccc3c(N3CCCCC3)n2)C1 ZINC000041148635 563955763 /nfs/dbraw/zinc/95/57/63/563955763.db2.gz QPHAODBYBKTQMK-OAHLLOKOSA-N 0 0 310.445 3.856 50 0 DHAARN O=C(CCc1csc(-c2ccncc2)n1)Nc1ccccc1 ZINC000041182975 563955811 /nfs/dbraw/zinc/95/58/11/563955811.db2.gz MMLAVENTXVRSSX-UHFFFAOYSA-N 0 0 309.394 3.776 50 0 DHAARN C[C@@H]1CN(c2ccc(Nc3nc4ccccc4o3)cn2)C[C@@H](C)O1 ZINC000070039825 563955863 /nfs/dbraw/zinc/95/58/63/563955863.db2.gz NKXPCIUXAWDPAJ-CHWSQXEVSA-N 0 0 324.384 3.580 50 0 DHAARN Cc1cccc(CSc2nc3ccsc3c(=O)n2C)c1 ZINC000009450929 563955974 /nfs/dbraw/zinc/95/59/74/563955974.db2.gz OVKXALTVTYYLBX-UHFFFAOYSA-N 0 0 302.424 3.596 50 0 DHAARN Cc1cccc(CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)c1 ZINC000009432039 563955983 /nfs/dbraw/zinc/95/59/83/563955983.db2.gz TVLAVNJEMPBEDP-UHFFFAOYSA-N 0 0 311.410 3.948 50 0 DHAARN C[C@H]1CCc2[nH]nc(-c3nc(-c4ccccc4Cl)no3)c2C1 ZINC000009421129 563956084 /nfs/dbraw/zinc/95/60/84/563956084.db2.gz SMAGGSHSQFMUBJ-VIFPVBQESA-N 0 0 314.776 3.905 50 0 DHAARN CN(Cc1ccco1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000009457421 563956136 /nfs/dbraw/zinc/95/61/36/563956136.db2.gz UUWCEKJKOZESDG-UHFFFAOYSA-N 0 0 321.380 3.615 50 0 DHAARN C[C@H](NC(=O)C(C)(C)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000009467716 563956181 /nfs/dbraw/zinc/95/61/81/563956181.db2.gz LMTFAGGTGOHGPR-ZDUSSCGKSA-N 0 0 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O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1Cc1ccco1 ZINC000000070102 180683424 /nfs/dbraw/zinc/68/34/24/180683424.db2.gz FTNSHURODFYFHH-SFHVURJKSA-N 0 0 320.348 3.752 50 0 DHAARN Cc1cc(NC(=O)c2cc3cccc(Cl)c3s2)nn1C ZINC000072403476 191150648 /nfs/dbraw/zinc/15/06/48/191150648.db2.gz CLRSGOMFEXOLJC-UHFFFAOYSA-N 0 0 305.790 3.849 50 0 DHAARN COc1cccc(-c2nnc(-c3ccc(Br)o3)o2)c1 ZINC000000046854 180677144 /nfs/dbraw/zinc/67/71/44/180677144.db2.gz DUYGSJVKFLETNO-UHFFFAOYSA-N 0 0 321.130 3.768 50 0 DHAARN C[C@H](NC(=O)c1ccccc1Br)c1ccccc1 ZINC000000048352 180677419 /nfs/dbraw/zinc/67/74/19/180677419.db2.gz ACDYXIJZDMIJJB-NSHDSACASA-N 0 0 304.187 3.940 50 0 DHAARN Cn1cccc1CNC(=O)c1cc2ccc(Cl)cc2s1 ZINC000072402926 191151069 /nfs/dbraw/zinc/15/10/69/191151069.db2.gz RCGPHXZTCRKBTQ-UHFFFAOYSA-N 0 0 304.802 3.823 50 0 DHAARN CC(C)c1nccn1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000000049264 180677727 /nfs/dbraw/zinc/67/77/27/180677727.db2.gz MKYZVOTXFVKJBV-UHFFFAOYSA-N 0 0 319.213 3.550 50 0 DHAARN CSc1nsc(SC)c1NC(=O)N1CCCCC1 ZINC000000051104 180678201 /nfs/dbraw/zinc/67/82/01/180678201.db2.gz QWAFVHFMMUSVQY-UHFFFAOYSA-N 0 0 303.478 3.605 50 0 DHAARN Cc1nc(C(=O)Nc2nc3c(s2)CCC3)c(C(C)C)s1 ZINC000072403880 191151544 /nfs/dbraw/zinc/15/15/44/191151544.db2.gz IOLWLJBWLGDKGU-UHFFFAOYSA-N 0 0 307.444 3.772 50 0 DHAARN Cc1cc(NC(=S)N2CCCCC2)ccc1Br ZINC000000072527 180684212 /nfs/dbraw/zinc/68/42/12/180684212.db2.gz AXLMMGNNMXJJNM-UHFFFAOYSA-N 0 0 313.264 3.940 50 0 DHAARN CCC[C@@H](C)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 ZINC000000074162 180684630 /nfs/dbraw/zinc/68/46/30/180684630.db2.gz MVOBKEOLRXJLMU-LLVKDONJSA-N 0 0 319.430 3.512 50 0 DHAARN CCc1cc(N[C@@H](CC)c2ccncc2)n2nc(C)c(C)c2n1 ZINC000072417829 191155629 /nfs/dbraw/zinc/15/56/29/191155629.db2.gz BRSCGOKBWJMJES-INIZCTEOSA-N 0 0 309.417 3.867 50 0 DHAARN CC[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)OC ZINC000000084825 180687778 /nfs/dbraw/zinc/68/77/78/180687778.db2.gz ODLKDTZHGZCMIK-JTQLQIEISA-N 0 0 322.455 3.614 50 0 DHAARN CC(=O)Nc1ccc(Nc2nc(-c3cccnc3)cs2)cc1 ZINC000000088652 180688717 /nfs/dbraw/zinc/68/87/17/180688717.db2.gz SVLRXYUZBSGNSY-UHFFFAOYSA-N 0 0 310.382 3.907 50 0 DHAARN COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1cccnc1 ZINC000000102395 180693497 /nfs/dbraw/zinc/69/34/97/180693497.db2.gz WKXXYZUZGRWXNT-HNNXBMFYSA-N 0 0 320.801 3.522 50 0 DHAARN COc1ccc2oc(C(=O)c3ccccc3)c(NC(C)=O)c2c1 ZINC000000103667 180694009 /nfs/dbraw/zinc/69/40/09/180694009.db2.gz ZMZXILFDAKLCAH-UHFFFAOYSA-N 0 0 309.321 3.631 50 0 DHAARN CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000117086 180698182 /nfs/dbraw/zinc/69/81/82/180698182.db2.gz LDBCIBMWTGQHLL-UHFFFAOYSA-N 0 0 302.243 3.640 50 0 DHAARN O=C(CC1CCCC1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000072442032 191167668 /nfs/dbraw/zinc/16/76/68/191167668.db2.gz YRRXHGIRIVZDJL-QGZVFWFLSA-N 0 0 303.402 3.763 50 0 DHAARN Cc1ncc(CSc2nc(C(C)(C)C)cs2)c(CO)c1O ZINC000000140543 180706085 /nfs/dbraw/zinc/70/60/85/180706085.db2.gz BUFSORMOWJGLLJ-UHFFFAOYSA-N 0 0 324.471 3.634 50 0 DHAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccc(F)cc1 ZINC000072446826 191168639 /nfs/dbraw/zinc/16/86/39/191168639.db2.gz YRABHAOXSFLTRZ-SFHVURJKSA-N 0 0 313.372 3.571 50 0 DHAARN Clc1ccc(Cl)c(NCc2nnc3n2CCCCC3)c1 ZINC000000141832 180706434 /nfs/dbraw/zinc/70/64/34/180706434.db2.gz CERQDLMTSCRBOI-UHFFFAOYSA-N 0 0 311.216 3.923 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 ZINC000072448747 191170207 /nfs/dbraw/zinc/17/02/07/191170207.db2.gz ZSISUCPOQCGKJO-UHFFFAOYSA-N 0 0 304.349 3.603 50 0 DHAARN Cc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ncn1 ZINC000072448387 191170659 /nfs/dbraw/zinc/17/06/59/191170659.db2.gz WYCYVANHNHBOAG-CQSZACIVSA-N 0 0 324.211 3.670 50 0 DHAARN COc1cccc(C(=O)Oc2ccc(C)cc2Br)c1 ZINC000000149565 180709195 /nfs/dbraw/zinc/70/91/95/180709195.db2.gz JSGJHMCCWJTMJG-UHFFFAOYSA-N 0 0 321.170 3.985 50 0 DHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1 ZINC000000155828 180710993 /nfs/dbraw/zinc/71/09/93/180710993.db2.gz BQRFHMVBQUONMC-NSHDSACASA-N 0 0 313.332 3.595 50 0 DHAARN CCCOc1ccc(-c2cc(NC)nc3[nH]ccc32)cc1CO ZINC000072474720 191178034 /nfs/dbraw/zinc/17/80/34/191178034.db2.gz OJCUZZYJTVGZTI-UHFFFAOYSA-N 0 0 311.385 3.553 50 0 DHAARN CC(C)c1noc(-c2ccc(N[C@H](C)Cc3ccncc3)nc2)n1 ZINC000072476581 191178496 /nfs/dbraw/zinc/17/84/96/191178496.db2.gz JOZNIBIYCMJKDR-CYBMUJFWSA-N 0 0 323.400 3.693 50 0 DHAARN CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1C ZINC000000189883 180720110 /nfs/dbraw/zinc/72/01/10/180720110.db2.gz BQOVZBXEZLTNJL-UHFFFAOYSA-N 0 0 310.305 3.819 50 0 biogenic DHAARN CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 ZINC000000190316 180720394 /nfs/dbraw/zinc/72/03/94/180720394.db2.gz OCEYGHBWKIPNAZ-UHFFFAOYSA-N 0 0 301.415 3.584 50 0 DHAARN Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000000259336 180740400 /nfs/dbraw/zinc/74/04/00/180740400.db2.gz WHLNIWNLLGHNBJ-CQSZACIVSA-N 0 0 313.784 3.771 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000000288631 180748900 /nfs/dbraw/zinc/74/89/00/180748900.db2.gz SHUZKJORTRXGPW-UHFFFAOYSA-N 0 0 318.170 3.904 50 0 DHAARN C[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000000279292 180746230 /nfs/dbraw/zinc/74/62/30/180746230.db2.gz RODREYUVBDOVGG-IRXDYDNUSA-N 0 0 323.436 3.844 50 0 DHAARN Cc1ccc(C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C)cc1 ZINC000000281429 180746772 /nfs/dbraw/zinc/74/67/72/180746772.db2.gz CCBJOSXASWBFCH-CXAGYDPISA-N 0 0 311.356 3.502 50 0 DHAARN COc1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 ZINC000000302421 180752325 /nfs/dbraw/zinc/75/23/25/180752325.db2.gz VHHCZUPYUXMHPV-UHFFFAOYSA-N 0 0 306.818 3.835 50 0 DHAARN COc1cccc(OC)c1C(=O)Nc1nc2ccccc2s1 ZINC000000339929 180761678 /nfs/dbraw/zinc/76/16/78/180761678.db2.gz WZOQLBONZXGOPJ-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN COc1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000341438 180761840 /nfs/dbraw/zinc/76/18/40/180761840.db2.gz PYJAIQMSTWXEGT-UHFFFAOYSA-N 0 0 311.168 3.837 50 0 DHAARN Cc1nc2sc3c(c2c2nnc(-c4ccccc4)n21)CCC3 ZINC000000351578 180763967 /nfs/dbraw/zinc/76/39/67/180763967.db2.gz NEAGAHSHDGJSBP-UHFFFAOYSA-N 0 0 306.394 3.803 50 0 DHAARN O=C(Nc1ccc2c(c1)sc(=S)n2CO)c1ccccc1 ZINC000000389897 180775110 /nfs/dbraw/zinc/77/51/10/180775110.db2.gz AHNMRZWXKFNAJJ-UHFFFAOYSA-N 0 0 316.407 3.634 50 0 DHAARN COc1ccc2nc3oc(C(=O)N4CCCCC4)cc3cc2c1 ZINC000000429106 180787692 /nfs/dbraw/zinc/78/76/92/180787692.db2.gz NBVIJZCSUHGJCK-UHFFFAOYSA-N 0 0 310.353 3.616 50 0 DHAARN CC1=NN(C(=S)c2ccccc2)[C@](C)(O)[C@H]1Cc1ccccc1 ZINC000000432596 180789080 /nfs/dbraw/zinc/78/90/80/180789080.db2.gz AGLUYOLFYBCAIL-PKOBYXMFSA-N 0 0 324.449 3.621 50 0 DHAARN COc1ccccc1-c1nnc(SCc2ccccc2)n1C ZINC000000422413 180784221 /nfs/dbraw/zinc/78/42/21/180784221.db2.gz ICFSYQMPQQLGAZ-UHFFFAOYSA-N 0 0 311.410 3.783 50 0 DHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 ZINC000000461087 180798126 /nfs/dbraw/zinc/79/81/26/180798126.db2.gz RWYUKEGCAVQTBK-UHFFFAOYSA-N 0 0 321.779 3.953 50 0 DHAARN O=C(Nc1ccccc1N1CCCC1)C(Cl)(Cl)Cl ZINC000000465706 180799574 /nfs/dbraw/zinc/79/95/74/180799574.db2.gz ZICLGJGCXWTKPM-UHFFFAOYSA-N 0 0 307.608 3.596 50 0 DHAARN Cc1nn(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(C)c1C ZINC000000466537 180799753 /nfs/dbraw/zinc/79/97/53/180799753.db2.gz KGYDMKCKNFYXGO-CYBMUJFWSA-N 0 0 306.793 3.878 50 0 DHAARN CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccccc1 ZINC000000448455 180794557 /nfs/dbraw/zinc/79/45/57/180794557.db2.gz MHTABERAOBBWMB-UHFFFAOYSA-N 0 0 320.344 3.896 50 0 DHAARN O=C(CSCc1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000000454386 180796194 /nfs/dbraw/zinc/79/61/94/180796194.db2.gz SVRBVAGZOMOUJS-YWPYICTPSA-N 0 0 309.862 3.878 50 0 DHAARN Cc1ccc(-c2cc3nn(-c4ccccc4)c(N)c3c(=O)o2)cc1 ZINC000000481592 180804693 /nfs/dbraw/zinc/80/46/93/180804693.db2.gz DXQJQYREKFDBNN-UHFFFAOYSA-N 0 0 317.348 3.536 50 0 DHAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 ZINC000000482429 180804747 /nfs/dbraw/zinc/80/47/47/180804747.db2.gz FBIOQTMRRMMJMV-UHFFFAOYSA-N 0 0 324.307 3.724 50 0 DHAARN COc1ccc(-n2c(C)c3c(c2C)c(OC)cccc3=O)cc1 ZINC000000488153 180806158 /nfs/dbraw/zinc/80/61/58/180806158.db2.gz GZXJKANMBOUTNJ-UHFFFAOYSA-N 0 0 309.365 3.625 50 0 biogenic DHAARN COc1cccc(Oc2c(C)oc3cc(OC)ccc3c2=O)c1 ZINC000000490616 180806417 /nfs/dbraw/zinc/80/64/17/180806417.db2.gz KKSQMHDPUUVXMV-UHFFFAOYSA-N 0 0 312.321 3.911 50 0 biogenic DHAARN CC(C)(C)C1=CSc2nnc(-c3ccc(Cl)cc3)n2N1 ZINC000000526286 180813076 /nfs/dbraw/zinc/81/30/76/180813076.db2.gz XMZORNCVRIMUSE-UHFFFAOYSA-N 0 0 306.822 3.954 50 0 DHAARN CCOc1ccc(-c2nnc3sc(-c4ccccc4)nn32)cc1 ZINC000000526909 180813422 /nfs/dbraw/zinc/81/34/22/180813422.db2.gz VRBYZBUVDCOXNC-UHFFFAOYSA-N 0 0 322.393 3.919 50 0 DHAARN CCc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 ZINC000000527131 180813507 /nfs/dbraw/zinc/81/35/07/180813507.db2.gz YWICXDCTIYFNJX-IAGOWNOFSA-N 0 0 319.412 3.569 50 0 DHAARN O=C(Nc1ccccc1OC(F)F)C(Cl)(Cl)Cl ZINC000000557740 180820960 /nfs/dbraw/zinc/82/09/60/180820960.db2.gz SGSGWOUSGKPHCU-UHFFFAOYSA-N 0 0 304.507 3.597 50 0 DHAARN CSc1nc2sc3c(c2c(N2CCCC2)n1)CCCC3 ZINC000000554362 180820438 /nfs/dbraw/zinc/82/04/38/180820438.db2.gz WYBLLWSSCNLLQI-UHFFFAOYSA-N 0 0 305.472 3.892 50 0 DHAARN CCCn1nc(NC(=O)C(C)C)c2cc3cc(C)ccc3nc21 ZINC000000532940 180815545 /nfs/dbraw/zinc/81/55/45/180815545.db2.gz PPDYWRRVUMUMNM-UHFFFAOYSA-N 0 0 310.401 3.897 50 0 DHAARN Cc1cccn2c1nc(=S)n2C(=O)c1ccc(Cl)cc1 ZINC000000536960 180816689 /nfs/dbraw/zinc/81/66/89/180816689.db2.gz WRLBXGORGPBBJM-UHFFFAOYSA-N 0 0 303.774 3.516 50 0 DHAARN CCCC(=O)n1nc(-c2ccccc2)nc1NCc1ccco1 ZINC000000611219 180827645 /nfs/dbraw/zinc/82/76/45/180827645.db2.gz ZHMQKDSSRPHEMP-UHFFFAOYSA-N 0 0 310.357 3.591 50 0 DHAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(O)cc1 ZINC000000618598 180830812 /nfs/dbraw/zinc/83/08/12/180830812.db2.gz ZWKXYBQENNIOQY-UHFFFAOYSA-N 0 0 312.152 3.717 50 0 DHAARN O=C(NC1CCCCC1)c1cccc(COCC(F)(F)F)c1 ZINC000000999014 180839821 /nfs/dbraw/zinc/83/98/21/180839821.db2.gz BSNMCBNRQQVMIR-UHFFFAOYSA-N 0 0 315.335 3.828 50 0 DHAARN Cc1nc(C2CC2)ncc1-c1nsc(Nc2ccccc2)n1 ZINC000001323612 180854390 /nfs/dbraw/zinc/85/43/90/180854390.db2.gz GOMXVFAJEPCDHR-UHFFFAOYSA-N 0 0 309.398 3.925 50 0 DHAARN CCN(CC)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000001504807 180870055 /nfs/dbraw/zinc/87/00/55/180870055.db2.gz KRVGKYLMHSQNQP-UHFFFAOYSA-N 0 0 307.397 3.540 50 0 DHAARN CC(=O)c1cccc(NC(=O)CCCOc2cccc(C)c2)c1 ZINC000001773818 180895387 /nfs/dbraw/zinc/89/53/87/180895387.db2.gz UKRQREHQABLMBS-UHFFFAOYSA-N 0 0 311.381 3.995 50 0 DHAARN COc1ccc(OCCCC(=O)Nc2ccccc2OC)cc1 ZINC000001778190 180896122 /nfs/dbraw/zinc/89/61/22/180896122.db2.gz KTGGQZIGKVVLJM-UHFFFAOYSA-N 0 0 315.369 3.502 50 0 DHAARN CCOCCOC(=O)COc1ccc(-c2ccc(C)cc2)cc1 ZINC000001778838 180896124 /nfs/dbraw/zinc/89/61/24/180896124.db2.gz GGVWERVJUPOORB-UHFFFAOYSA-N 0 0 314.381 3.621 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000001904320 180901713 /nfs/dbraw/zinc/90/17/13/180901713.db2.gz ZTVIIBNOZYJWSQ-JXMROGBWSA-N 0 0 311.381 3.973 50 0 DHAARN CCOC(=O)[C@@H](CC(=O)c1ccc2ccccc2c1)C(=O)CC ZINC000002187190 180914480 /nfs/dbraw/zinc/91/44/80/180914480.db2.gz IVMLWTRUYLHZPW-INIZCTEOSA-N 0 0 312.365 3.571 50 0 DHAARN O=C(c1cc2c(s1)c1ccccc1oc2=O)N1CCCCC1 ZINC000002456030 180925033 /nfs/dbraw/zinc/92/50/33/180925033.db2.gz XREUGEZQTSUPCB-UHFFFAOYSA-N 0 0 313.378 3.634 50 0 DHAARN O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1 ZINC000002351169 180920475 /nfs/dbraw/zinc/92/04/75/180920475.db2.gz SFWFOEULWVNPCK-UHFFFAOYSA-N 0 0 309.394 3.535 50 0 DHAARN CC(C)(C)c1cc(NN)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002357907 180921051 /nfs/dbraw/zinc/92/10/51/180921051.db2.gz KPAJTLQRDSRFPJ-UHFFFAOYSA-N 0 0 315.808 3.633 50 0 DHAARN O=C1S/C(=C\c2cccc(F)c2)C(=O)N1c1ccc(O)cc1 ZINC000002384619 180922001 /nfs/dbraw/zinc/92/20/01/180922001.db2.gz JVEKWIDAJRZRMY-ZROIWOOFSA-N 0 0 315.325 3.772 50 0 DHAARN Cc1ccc(-c2noc(-c3ccccc3C(=O)NC(C)C)n2)cc1 ZINC000002419418 180923116 /nfs/dbraw/zinc/92/31/16/180923116.db2.gz ZVTJUAWERKPGHU-UHFFFAOYSA-N 0 0 321.380 3.850 50 0 DHAARN CCOC(=O)CCCCCCC(=O)c1cccc(OC)c1OC ZINC000002580421 180936780 /nfs/dbraw/zinc/93/67/80/180936780.db2.gz CVSOPTQUPOGDKH-UHFFFAOYSA-N 0 0 322.401 3.790 50 0 DHAARN CCOC(=O)CCCCCCC(=O)c1ccc(OC)cc1OC ZINC000002580426 180937136 /nfs/dbraw/zinc/93/71/36/180937136.db2.gz OVOTVDXMITXBGO-UHFFFAOYSA-N 0 0 322.401 3.790 50 0 DHAARN Cc1ccsc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 ZINC000002658603 180945628 /nfs/dbraw/zinc/94/56/28/180945628.db2.gz HIWOFWDQYZIFTD-UHFFFAOYSA-N 0 0 314.362 3.828 50 0 DHAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H](C)O)cc1 ZINC000002697304 180947273 /nfs/dbraw/zinc/94/72/73/180947273.db2.gz VWDKXSYZXPNSHS-HNNXBMFYSA-N 0 0 310.397 3.867 50 0 DHAARN COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1cccs1 ZINC000002708278 180948012 /nfs/dbraw/zinc/94/80/12/180948012.db2.gz WCUNYAKBFUHHFB-FNORWQNLSA-N 0 0 321.785 3.840 50 0 DHAARN O=C(Nc1ccc(Cl)cn1)c1ccc(Br)s1 ZINC000002762712 180953655 /nfs/dbraw/zinc/95/36/55/180953655.db2.gz SHNSVJQVHUBPCM-UHFFFAOYSA-N 0 0 317.595 3.811 50 0 DHAARN COc1cc(NC(=O)c2cccc(C)c2)ccc1OC(F)F ZINC000002803010 180959446 /nfs/dbraw/zinc/95/94/46/180959446.db2.gz BNEPBRALAGYSIM-UHFFFAOYSA-N 0 0 307.296 3.857 50 0 DHAARN O=C(Cc1c(F)cccc1Cl)Nc1nc2c(s1)CCCC2 ZINC000002865267 180964723 /nfs/dbraw/zinc/96/47/23/180964723.db2.gz FOOASNWUXPWZOP-UHFFFAOYSA-N 0 0 324.808 3.996 50 0 DHAARN COc1ccc(OCCOc2ccccc2OC(C)C)cc1 ZINC000002984877 180974173 /nfs/dbraw/zinc/97/41/73/180974173.db2.gz CMBXJGNCAWVTGD-UHFFFAOYSA-N 0 0 302.370 3.940 50 0 DHAARN CC(C)CCC[C@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000002993087 180975622 /nfs/dbraw/zinc/97/56/22/180975622.db2.gz NRMYNURMUARWDE-PLWJUESGSA-N 0 0 303.402 3.760 50 0 DHAARN Cc1sc2ncnc(SCC(=O)OCC(C)C)c2c1C ZINC000000084908 563524942 /nfs/dbraw/zinc/52/49/42/563524942.db2.gz JQFSXTZPGZDRKZ-UHFFFAOYSA-N 0 0 310.444 3.599 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000003168715 180988089 /nfs/dbraw/zinc/98/80/89/180988089.db2.gz AZPWVRNPBLLOMA-FMIVXFBMSA-N 0 0 319.364 3.533 50 0 DHAARN Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 ZINC000003243524 180995533 /nfs/dbraw/zinc/99/55/33/180995533.db2.gz WBXCCVUDYILLMC-UHFFFAOYSA-N 0 0 308.256 3.595 50 0 DHAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)C1CC1 ZINC000003257465 180997554 /nfs/dbraw/zinc/99/75/54/180997554.db2.gz IGABYLIIGJJPAL-UHFFFAOYSA-N 0 0 323.632 3.870 50 0 DHAARN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc2c(c1)OCCO2 ZINC000003326750 181005456 /nfs/dbraw/zinc/00/54/56/181005456.db2.gz QAZQRIOWGGOBKL-QPEQYQDCSA-N 0 0 313.740 3.604 50 0 DHAARN Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc(F)c(F)c1 ZINC000003328457 181006073 /nfs/dbraw/zinc/00/60/73/181006073.db2.gz GPNIQYJBWUZLFE-NSHDSACASA-N 0 0 310.369 3.988 50 0 DHAARN Cc1ccc(NC(=O)CN(C)Cc2ccccc2)c(Cl)c1 ZINC000003296542 181001586 /nfs/dbraw/zinc/00/15/86/181001586.db2.gz WIOHRGGOHZUWHD-UHFFFAOYSA-N 0 0 302.805 3.719 50 0 DHAARN O=C(CCC(=O)c1cccs1)N[C@H]1CCCc2ccccc21 ZINC000003304136 181002395 /nfs/dbraw/zinc/00/23/95/181002395.db2.gz RTHNIUQZEXRMMZ-HNNXBMFYSA-N 0 0 313.422 3.905 50 0 DHAARN COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000003302630 181002460 /nfs/dbraw/zinc/00/24/60/181002460.db2.gz UWICULOKMIBSLX-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN CC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000003306512 181002994 /nfs/dbraw/zinc/00/29/94/181002994.db2.gz OFNXKWNSFVCNNF-LLVKDONJSA-N 0 0 313.426 3.924 50 0 DHAARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003383255 181013295 /nfs/dbraw/zinc/01/32/95/181013295.db2.gz SRSWTPGYYOEJMH-LBPRGKRZSA-N 0 0 315.394 3.577 50 0 DHAARN CCCCC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000003333562 181006962 /nfs/dbraw/zinc/00/69/62/181006962.db2.gz QFCRSJLYNPPTFG-UHFFFAOYSA-N 0 0 317.357 3.673 50 0 DHAARN COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1OC ZINC000003334610 181007647 /nfs/dbraw/zinc/00/76/47/181007647.db2.gz URVNLWWLTPGJJR-MRXNPFEDSA-N 0 0 311.381 3.511 50 0 DHAARN COc1ccccc1CNC(=O)c1ccccc1C(F)(F)F ZINC000003341089 181008176 /nfs/dbraw/zinc/00/81/76/181008176.db2.gz CZCZHGUXCRHVRI-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN CCOc1ccccc1OCCC(=O)Nc1cccc(OC)c1 ZINC000003341540 181008191 /nfs/dbraw/zinc/00/81/91/181008191.db2.gz MNKSREVLWGKJBO-UHFFFAOYSA-N 0 0 315.369 3.502 50 0 DHAARN CCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003358102 181010902 /nfs/dbraw/zinc/01/09/02/181010902.db2.gz ZOOYJFRCSQRCPD-UHFFFAOYSA-N 0 0 301.717 3.511 50 0 DHAARN O=C(Cc1ccc(Cl)cc1Cl)NCc1cccs1 ZINC000003400655 181015278 /nfs/dbraw/zinc/01/52/78/181015278.db2.gz SPUDJVDEDAJXPC-UHFFFAOYSA-N 0 0 300.210 3.914 50 0 DHAARN CCOc1ccc(NC(=O)COc2ccccc2OCC)cc1 ZINC000003458324 181022693 /nfs/dbraw/zinc/02/26/93/181022693.db2.gz FLWVFCNVIBZCKY-UHFFFAOYSA-N 0 0 315.369 3.502 50 0 DHAARN CCC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000003422981 181017391 /nfs/dbraw/zinc/01/73/91/181017391.db2.gz PYHHIMZGGCWRMW-UHFFFAOYSA-N 0 0 317.772 3.950 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1csc2c1CCCC2 ZINC000003420015 181017817 /nfs/dbraw/zinc/01/78/17/181017817.db2.gz QBTNFPUBQLNMOT-UHFFFAOYSA-N 0 0 301.367 3.608 50 0 DHAARN CCOc1ccc(NC(=O)COc2ccc(OCC)cc2)cc1 ZINC000003457592 181022704 /nfs/dbraw/zinc/02/27/04/181022704.db2.gz UFSJJSNUDIACPJ-UHFFFAOYSA-N 0 0 315.369 3.502 50 0 DHAARN COc1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003431185 181018858 /nfs/dbraw/zinc/01/88/58/181018858.db2.gz BMISONVOAVCXMW-UHFFFAOYSA-N 0 0 324.207 3.975 50 0 DHAARN C[C@@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc32)C1 ZINC000003430364 181019019 /nfs/dbraw/zinc/01/90/19/181019019.db2.gz NESDCFDXACWLEX-CQSZACIVSA-N 0 0 304.397 3.928 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2Cl)c1C ZINC000003442596 181020355 /nfs/dbraw/zinc/02/03/55/181020355.db2.gz BELLEZWZDDPWSF-UHFFFAOYSA-N 0 0 323.751 3.984 50 0 DHAARN CC[C@H](C(=O)OCC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000003446461 181021094 /nfs/dbraw/zinc/02/10/94/181021094.db2.gz SKBMCYPXWLNIMV-INIZCTEOSA-N 0 0 315.344 3.501 50 0 DHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCC1)c1ccccc1 ZINC000003533415 181030790 /nfs/dbraw/zinc/03/07/90/181030790.db2.gz LMEONVPYROQNEV-CQSZACIVSA-N 0 0 322.408 3.916 50 0 DHAARN Cc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000003481332 181024902 /nfs/dbraw/zinc/02/49/02/181024902.db2.gz DVJOGYFWEXRUBR-KRWDZBQOSA-N 0 0 311.381 3.805 50 0 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Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C)ccc1C ZINC000004163689 181080465 /nfs/dbraw/zinc/08/04/65/181080465.db2.gz SVXQXISLIFBFSW-UHFFFAOYSA-N 0 0 306.365 3.915 50 0 DHAARN CC(=O)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000004273263 181090569 /nfs/dbraw/zinc/09/05/69/181090569.db2.gz VZIGMPLMXGRVKB-UHFFFAOYSA-N 0 0 317.801 3.898 50 0 DHAARN c1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)nc1 ZINC000004271874 181090680 /nfs/dbraw/zinc/09/06/80/181090680.db2.gz CEGUSOAERMVWDE-UHFFFAOYSA-N 0 0 323.377 3.560 50 0 DHAARN O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000004275955 181091647 /nfs/dbraw/zinc/09/16/47/181091647.db2.gz DUJVDSCRQPONIV-IZZDOVSWSA-N 0 0 309.300 3.528 50 0 DHAARN Cc1nnc2n1N=C(c1ccc(CC(C)C)cc1)[C@@H](C)S2 ZINC000004336104 181099501 /nfs/dbraw/zinc/09/95/01/181099501.db2.gz NQJJTFZGHJXEJH-LLVKDONJSA-N 0 0 300.431 3.532 50 0 DHAARN Cc1cccc(NC(=O)C2(c3cccs3)CCOCC2)c1 ZINC000004376512 181104222 /nfs/dbraw/zinc/10/42/22/181104222.db2.gz QRWSMZVDUQODIX-UHFFFAOYSA-N 0 0 301.411 3.743 50 0 DHAARN Cc1ccccc1CSc1nnc2ccc(-c3ccco3)nn21 ZINC000004376821 181104365 /nfs/dbraw/zinc/10/43/65/181104365.db2.gz PNHPYRSEOYWVIE-UHFFFAOYSA-N 0 0 322.393 3.985 50 0 DHAARN CCCC(=O)Nc1nc2ccc(NC(=O)CCC)cc2s1 ZINC000004385360 181104749 /nfs/dbraw/zinc/10/47/49/181104749.db2.gz YMNMFGWBWUAKNQ-UHFFFAOYSA-N 0 0 305.403 3.774 50 0 DHAARN COC(=O)COc1c(Cl)cc(Cl)c(Cl)c1Cl ZINC000004541940 181121772 /nfs/dbraw/zinc/12/17/72/181121772.db2.gz BWXIOFUVYANUDG-UHFFFAOYSA-N 0 0 303.956 3.852 50 0 DHAARN COc1ccc(CCC(=O)Nc2ccccc2OC)cc1Cl ZINC000004542056 181121939 /nfs/dbraw/zinc/12/19/39/181121939.db2.gz GYDAWLYNGHYCLP-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN O=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000004542210 181122368 /nfs/dbraw/zinc/12/23/68/181122368.db2.gz NZEXVVJBKKHMER-UHFFFAOYSA-N 0 0 309.152 3.955 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000004472968 181111393 /nfs/dbraw/zinc/11/13/93/181111393.db2.gz DNNZJYHHKRFMKW-UHFFFAOYSA-N 0 0 312.369 3.542 50 0 DHAARN COc1cc2nc(NC(=O)c3cccs3)sc2cc1OC ZINC000004479899 181112881 /nfs/dbraw/zinc/11/28/81/181112881.db2.gz QLZQTQPGSDILFV-UHFFFAOYSA-N 0 0 320.395 3.627 50 0 DHAARN CCOC(=O)c1cn(Cc2cccc(C)c2)c2ccccc2c1=O ZINC000004483304 181113047 /nfs/dbraw/zinc/11/30/47/181113047.db2.gz GNPOWHLWJNXWIN-UHFFFAOYSA-N 0 0 321.376 3.535 50 0 DHAARN O=C(Nc1ccccc1F)C1(c2cccs2)CCOCC1 ZINC000004478951 181113101 /nfs/dbraw/zinc/11/31/01/181113101.db2.gz AQOXDDKYDYQGMF-UHFFFAOYSA-N 0 0 305.374 3.574 50 0 DHAARN CSc1ccccc1C(=O)Nc1nnc(-c2cccs2)o1 ZINC000004517448 181118892 /nfs/dbraw/zinc/11/88/92/181118892.db2.gz WLRLFZGUESSOFZ-UHFFFAOYSA-N 0 0 317.395 3.772 50 0 DHAARN O=C(COc1ccc2ccccc2c1)NCCc1ccccc1 ZINC000004577011 181125909 /nfs/dbraw/zinc/12/59/09/181125909.db2.gz JWDGXERGQXIULA-UHFFFAOYSA-N 0 0 305.377 3.578 50 0 DHAARN Cc1ccc(C(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 ZINC000004580042 181126986 /nfs/dbraw/zinc/12/69/86/181126986.db2.gz VTJGJXGLEPGNTO-ZDUSSCGKSA-N 0 0 308.333 3.752 50 0 DHAARN CCNc1nc(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000004592579 181127828 /nfs/dbraw/zinc/12/78/28/181127828.db2.gz HHDMAKDBPXTCHI-UHFFFAOYSA-N 0 0 305.447 3.556 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)Cn1ccc2ccccc21 ZINC000004598821 181128510 /nfs/dbraw/zinc/12/85/10/181128510.db2.gz UYUFBSBPTYTHEF-MRXNPFEDSA-N 0 0 306.409 3.779 50 0 DHAARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000004648594 181131716 /nfs/dbraw/zinc/13/17/16/181131716.db2.gz SUWLVPXNQDMLSR-GMROUXNLSA-N 0 0 321.398 3.539 50 0 DHAARN Cc1cc(=O)oc2n[nH]c(CSc3ccc(Cl)cc3)c21 ZINC000004693199 181137916 /nfs/dbraw/zinc/13/79/16/181137916.db2.gz WYEMPSJNCJHDDA-UHFFFAOYSA-N 0 0 306.774 3.770 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000004699030 181138364 /nfs/dbraw/zinc/13/83/64/181138364.db2.gz UVJQYUXIBJPMPX-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN Cc1ccc(CN2C(=O)S/C(=C/c3ccncc3)C2=O)cc1 ZINC000004675457 181135209 /nfs/dbraw/zinc/13/52/09/181135209.db2.gz PYYQLYVHIIASQZ-XNTDXEJSSA-N 0 0 310.378 3.627 50 0 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COc1cc(NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000004814478 181155564 /nfs/dbraw/zinc/15/55/64/181155564.db2.gz ZJNMYXNIKLPBOW-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN CCOCCOc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000004820610 181156536 /nfs/dbraw/zinc/15/65/36/181156536.db2.gz JRYPIEISGIHOJL-UHFFFAOYSA-N 0 0 313.397 3.971 50 0 DHAARN Cc1ccc2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2n1 ZINC000004841115 181160492 /nfs/dbraw/zinc/16/04/92/181160492.db2.gz WGWSUUKWXAAOFL-UHFFFAOYSA-N 0 0 320.348 3.567 50 0 DHAARN CSc1c(C)cccc1OCC(=O)NCc1ccc(C)cc1 ZINC000004843047 181161976 /nfs/dbraw/zinc/16/19/76/181161976.db2.gz SUCPNWOYIQNQMV-UHFFFAOYSA-N 0 0 315.438 3.721 50 0 DHAARN Cc1cccc(CN(c2ccccc2Cl)S(C)(=O)=O)c1 ZINC000004858655 181164315 /nfs/dbraw/zinc/16/43/15/181164315.db2.gz XKGDHPRGSXWFHJ-UHFFFAOYSA-N 0 0 309.818 3.615 50 0 DHAARN COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccco1 ZINC000004870125 181167021 /nfs/dbraw/zinc/16/70/21/181167021.db2.gz IGTFQMQKNRYMOQ-UHFFFAOYSA-N 0 0 300.141 3.525 50 0 DHAARN OCc1nc2ccccc2n1CCOc1cccc2ccccc21 ZINC000004908451 181171634 /nfs/dbraw/zinc/17/16/34/181171634.db2.gz AKMJXMUOPHHHIQ-UHFFFAOYSA-N 0 0 318.376 3.761 50 0 DHAARN CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 ZINC000004910394 181172261 /nfs/dbraw/zinc/17/22/61/181172261.db2.gz CKDIUJITZVJABZ-AWEZNQCLSA-N 0 0 311.381 3.803 50 0 DHAARN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1nccn2ccnc12 ZINC000073612970 191331614 /nfs/dbraw/zinc/33/16/14/191331614.db2.gz ZZUACUOQAXGFIM-QGZVFWFLSA-N 0 0 322.412 3.507 50 0 DHAARN O=C(NC[C@@H]1COC2(CCCCC2)O1)Nc1ccc(Cl)cc1 ZINC000004941239 181176561 /nfs/dbraw/zinc/17/65/61/181176561.db2.gz WWZGWTFIFVKEIM-CQSZACIVSA-N 0 0 324.808 3.537 50 0 DHAARN CSCC[C@@H]1COC(c2cccn2Cc2ccc(C)cc2)=N1 ZINC000004970414 181181198 /nfs/dbraw/zinc/18/11/98/181181198.db2.gz UZMRHPHWKXWFIH-MRXNPFEDSA-N 0 0 314.454 3.743 50 0 DHAARN CCC1(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CCC1 ZINC000075107014 191418481 /nfs/dbraw/zinc/41/84/81/191418481.db2.gz FOLOORZHAAUKON-MRXNPFEDSA-N 0 0 303.402 3.763 50 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CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000077285780 191686539 /nfs/dbraw/zinc/68/65/39/191686539.db2.gz TVJLTXGXIQWBLD-CQSZACIVSA-N 0 0 302.349 3.662 50 0 DHAARN CSc1ncccc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000077298891 191688617 /nfs/dbraw/zinc/68/86/17/191688617.db2.gz GXNOCRRBZHJJRY-OAHLLOKOSA-N 0 0 316.401 3.920 50 0 DHAARN CC[C@H]1COCCN1C(=O)Nc1ccccc1-c1ccccc1 ZINC000077356650 191698883 /nfs/dbraw/zinc/69/88/83/191698883.db2.gz XWXQIJXISALCRU-INIZCTEOSA-N 0 0 310.397 3.996 50 0 DHAARN O=C(/C=C/c1ccco1)NCC[C@H](O)c1cccc2ccccc21 ZINC000077116357 191662189 /nfs/dbraw/zinc/66/21/89/191662189.db2.gz ZGDWINIVPXFCCP-VYENPZKTSA-N 0 0 321.376 3.686 50 0 DHAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc3ccccc3n2)c1 ZINC000005079608 181201842 /nfs/dbraw/zinc/20/18/42/181201842.db2.gz XNEPSOFIQRERDC-UHFFFAOYSA-N 0 0 319.360 3.891 50 0 DHAARN Cc1cc(C)nc(SCC(=O)Nc2ccccc2C(C)C)n1 ZINC000005126353 181206590 /nfs/dbraw/zinc/20/65/90/181206590.db2.gz PZORXGKKQZTUEA-UHFFFAOYSA-N 0 0 315.442 3.948 50 0 DHAARN C[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000005123750 181206194 /nfs/dbraw/zinc/20/61/94/181206194.db2.gz HHGUZCASSALHIW-LURJTMIESA-N 0 0 304.202 3.688 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(C)(C)C ZINC000005137004 181207937 /nfs/dbraw/zinc/20/79/37/181207937.db2.gz ZMIHOSNYAUPHHL-UHFFFAOYSA-N 0 0 320.433 3.962 50 0 DHAARN CC(C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000005137323 181208170 /nfs/dbraw/zinc/20/81/70/181208170.db2.gz LQLXXDZEZIUZPK-UHFFFAOYSA-N 0 0 308.834 3.778 50 0 DHAARN Cc1ccc(C(=O)Nc2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1 ZINC000005153720 181210274 /nfs/dbraw/zinc/21/02/74/181210274.db2.gz MJQDGQAXMCTLKV-CYBMUJFWSA-N 0 0 320.392 3.644 50 0 DHAARN CCCOc1ncccc1CNC(=O)c1sccc1SC ZINC000078553306 191884566 /nfs/dbraw/zinc/88/45/66/191884566.db2.gz BHIDIIWICKRUHF-UHFFFAOYSA-N 0 0 322.455 3.584 50 0 DHAARN Cc1ccc(C)c(-c2nnc(NC(=O)CCc3ccccc3)o2)c1 ZINC000005169679 181213259 /nfs/dbraw/zinc/21/32/59/181213259.db2.gz MBUVECSLKHQOPN-UHFFFAOYSA-N 0 0 321.380 3.925 50 0 DHAARN CCOc1ccc(-c2nnc(S[C@H]3CCCCC3=O)o2)cc1 ZINC000005169723 181213263 /nfs/dbraw/zinc/21/32/63/181213263.db2.gz RVLIEIKGLYEFLQ-AWEZNQCLSA-N 0 0 318.398 3.739 50 0 DHAARN Cc1ccc(C(=O)OCCCC(=O)c2ccc(F)cc2)c(O)c1 ZINC000005226631 181218850 /nfs/dbraw/zinc/21/88/50/181218850.db2.gz CVDUJWRMCJKSPU-UHFFFAOYSA-N 0 0 316.328 3.660 50 0 DHAARN O=S(=O)(Nc1ccccc1)c1ccc2cccc3c2c1CC3 ZINC000005234727 181219744 /nfs/dbraw/zinc/21/97/44/181219744.db2.gz URXIPYYHYZKUOU-UHFFFAOYSA-N 0 0 309.390 3.739 50 0 DHAARN COc1cc2ncnc(Nc3cccc(C(C)=O)c3)c2cc1OC ZINC000005236336 181219829 /nfs/dbraw/zinc/21/98/29/181219829.db2.gz OMRVBDOHGDQYFB-UHFFFAOYSA-N 0 0 323.352 3.593 50 0 DHAARN Fc1ccc(OCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000005209505 181216863 /nfs/dbraw/zinc/21/68/63/181216863.db2.gz AMKZFIIVRIXMSM-UHFFFAOYSA-N 0 0 315.373 3.782 50 0 DHAARN Cc1cc(N2CCCC2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000005267087 181223923 /nfs/dbraw/zinc/22/39/23/181223923.db2.gz OJIKZAZAAZLNQR-UHFFFAOYSA-N 0 0 312.804 3.958 50 0 DHAARN CCSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005244490 181221148 /nfs/dbraw/zinc/22/11/48/181221148.db2.gz FJSZDHSDFMRWMS-UHFFFAOYSA-N 0 0 315.394 3.822 50 0 DHAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccccc1 ZINC000005252304 181222564 /nfs/dbraw/zinc/22/25/64/181222564.db2.gz GBGZNEGUABOGPD-UHFFFAOYSA-N 0 0 320.392 3.628 50 0 DHAARN CCOC(=O)Nc1ccc(Br)cc1Br ZINC000005257008 181223180 /nfs/dbraw/zinc/22/31/80/181223180.db2.gz BEVDUGOXLQDMDS-UHFFFAOYSA-N 0 0 322.984 3.780 50 0 DHAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005373784 181235826 /nfs/dbraw/zinc/23/58/26/181235826.db2.gz SUBUOKBRPIQNAZ-UHFFFAOYSA-N 0 0 314.429 3.751 50 0 DHAARN COc1ccc(/C=C/C(=O)n2c(C)nc3ccccc32)cc1OC ZINC000005387343 181237752 /nfs/dbraw/zinc/23/77/52/181237752.db2.gz OSSNXTQEGRWITM-PKNBQFBNSA-N 0 0 322.364 3.716 50 0 DHAARN O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccc1Cl ZINC000005399605 181239633 /nfs/dbraw/zinc/23/96/33/181239633.db2.gz VIPBMJRBPLJGMM-UHFFFAOYSA-N 0 0 314.747 3.751 50 0 DHAARN CCCN(CCC)C(=O)CCCCC(=O)N(CCC)CCC ZINC000005298649 181227578 /nfs/dbraw/zinc/22/75/78/181227578.db2.gz VDYQQFXNCPRWIB-UHFFFAOYSA-N 0 0 312.498 3.844 50 0 DHAARN O=C(Nc1ncnc2sccc21)c1ccc2c(c1)CCCC2 ZINC000005299451 181227614 /nfs/dbraw/zinc/22/76/14/181227614.db2.gz QVXDSFCCAUJDGJ-UHFFFAOYSA-N 0 0 309.394 3.822 50 0 DHAARN CC(C)Oc1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000005299473 181227695 /nfs/dbraw/zinc/22/76/95/181227695.db2.gz YWECBHPRLJCMOF-UHFFFAOYSA-N 0 0 313.382 3.731 50 0 DHAARN Cc1c(C(=O)Nc2ccccc2F)oc2c1[C@H](O)CC(C)(C)C2 ZINC000005305323 181228390 /nfs/dbraw/zinc/22/83/90/181228390.db2.gz BZMOCODERMXTSV-CYBMUJFWSA-N 0 0 317.360 3.985 50 0 DHAARN CC(=O)Nc1ccc(OCCOc2ccccc2Cl)cc1 ZINC000005342451 181231681 /nfs/dbraw/zinc/23/16/81/181231681.db2.gz QQKGILVKHNPEAV-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN CC(C)n1cnnc1S[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000005416947 181240807 /nfs/dbraw/zinc/24/08/07/181240807.db2.gz MWMCTXIJNQRNPZ-NSHDSACASA-N 0 0 314.414 3.704 50 0 DHAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Br)o1 ZINC000005442917 181244132 /nfs/dbraw/zinc/24/41/32/181244132.db2.gz QAJLKQCNLJNMNC-GFCCVEGCSA-N 0 0 320.186 3.850 50 0 DHAARN CCN(CC)C(=O)c1cccnc1-c1nc2ccccc2s1 ZINC000005451238 181244544 /nfs/dbraw/zinc/24/45/44/181244544.db2.gz BMATYRWXGWHDFE-UHFFFAOYSA-N 0 0 311.410 3.840 50 0 DHAARN COc1ccc2ccccc2c1[S@](=O)NC1CCCCC1 ZINC000005527398 181253739 /nfs/dbraw/zinc/25/37/39/181253739.db2.gz ANMPFDMJHISMBT-OAQYLSRUSA-N 0 0 303.427 3.793 50 0 DHAARN CCc1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000005549430 181256128 /nfs/dbraw/zinc/25/61/28/181256128.db2.gz VGWUPSXJVDFTIE-JLHYYAGUSA-N 0 0 310.422 3.775 50 0 DHAARN Cc1nn2c(nc(C)cc2NC[C@@H]2CCCO2)c1-c1ccccc1 ZINC000005561996 181257774 /nfs/dbraw/zinc/25/77/74/181257774.db2.gz XLAQQZNLQRXGHK-INIZCTEOSA-N 0 0 322.412 3.604 50 0 DHAARN C[NH+](C)CCNc1c2ccccc2[nH+]c2c1CCc1ccccc1-2 ZINC000005509030 181251316 /nfs/dbraw/zinc/25/13/16/181251316.db2.gz GWABPBBLGUILLH-UHFFFAOYSA-N 0 0 317.436 3.974 50 0 DHAARN O=C(Oc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl ZINC000005577292 181259135 /nfs/dbraw/zinc/25/91/35/181259135.db2.gz MPZRKTOTERFSRZ-UHFFFAOYSA-N 0 0 311.120 3.941 50 0 DHAARN CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 ZINC000005610400 181263398 /nfs/dbraw/zinc/26/33/98/181263398.db2.gz HKTYQTPTLJTHKZ-MRXNPFEDSA-N 0 0 311.381 3.914 50 0 DHAARN O=C(COc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000005616671 181264205 /nfs/dbraw/zinc/26/42/05/181264205.db2.gz HXSVIXPVAHEVFH-UHFFFAOYSA-N 0 0 322.719 3.512 50 0 DHAARN CC(C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000005632752 181266154 /nfs/dbraw/zinc/26/61/54/181266154.db2.gz AECXKAALKZOVEC-UHFFFAOYSA-N 0 0 311.407 3.564 50 0 DHAARN Cc1cccc(Oc2ccc(NC(=O)C3=COCCO3)cc2)c1 ZINC000005632370 181266103 /nfs/dbraw/zinc/26/61/03/181266103.db2.gz FZXWFMRZRAKFBS-UHFFFAOYSA-N 0 0 311.337 3.614 50 0 DHAARN O=C1Nc2ccccc2[C@@H]1Cc1ccc(Br)cc1 ZINC000005685442 181272085 /nfs/dbraw/zinc/27/20/85/181272085.db2.gz FIDFCDTVNWFMDO-ZDUSSCGKSA-N 0 0 302.171 3.728 50 0 DHAARN Cc1cccc(NC(=S)NC2=NN(c3ccccc3)CC2)c1 ZINC000005687594 181272903 /nfs/dbraw/zinc/27/29/03/181272903.db2.gz SULNKBIVUMFUBP-UHFFFAOYSA-N 0 0 310.426 3.505 50 0 DHAARN C[C@@H]1CCc2c(sc3ncnc(NCc4ccccn4)c23)C1 ZINC000005658542 181268408 /nfs/dbraw/zinc/26/84/08/181268408.db2.gz KVEJSIWIHFAHNK-LLVKDONJSA-N 0 0 310.426 3.823 50 0 DHAARN Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)cc2F)c1 ZINC000005704831 181274616 /nfs/dbraw/zinc/27/46/16/181274616.db2.gz DKEZTTOPGGOMSU-UHFFFAOYSA-N 0 0 305.324 3.989 50 0 DHAARN O=C(NCC[C@@H](O)c1ccccc1)c1ccccc1C(F)(F)F ZINC000081254252 192239560 /nfs/dbraw/zinc/23/95/60/192239560.db2.gz NVJWKVMAQWNTOD-OAHLLOKOSA-N 0 0 323.314 3.559 50 0 DHAARN O=C(NCC[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000081253597 192240132 /nfs/dbraw/zinc/24/01/32/192240132.db2.gz JWTAWKJYQMJYBX-HNNXBMFYSA-N 0 0 324.207 3.847 50 0 DHAARN C[C@@H]1C[C@@H]1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000005693983 181273573 /nfs/dbraw/zinc/27/35/73/181273573.db2.gz VWULPBWPHNZFED-PXAZEXFGSA-N 0 0 306.361 3.640 50 0 DHAARN O=C(OCc1nc(-c2ccccc2)no1)c1ccccc1Cl ZINC000005692532 181273753 /nfs/dbraw/zinc/27/37/53/181273753.db2.gz UELFEURQUKYAAX-UHFFFAOYSA-N 0 0 314.728 3.747 50 0 DHAARN Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000005740901 181279455 /nfs/dbraw/zinc/27/94/55/181279455.db2.gz QHWNKKSKEPCTIY-UHFFFAOYSA-N 0 0 300.186 3.773 50 0 DHAARN CC(C)(C)c1ccc(C(=O)COC(=O)c2cccc(O)c2)cc1 ZINC000005754813 181281031 /nfs/dbraw/zinc/28/10/31/181281031.db2.gz BSLYXHMYXFFHHM-UHFFFAOYSA-N 0 0 312.365 3.729 50 0 DHAARN CC(C)n1cc(C(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 ZINC000085877039 192538275 /nfs/dbraw/zinc/53/82/75/192538275.db2.gz ZMTIXDJHOQJAHF-AWEZNQCLSA-N 0 0 314.429 3.910 50 0 biogenic DHAARN CC(C)n1ccc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)ccc21 ZINC000085876093 192538799 /nfs/dbraw/zinc/53/87/99/192538799.db2.gz PISFKTHSCZCBPG-INIZCTEOSA-N 0 0 314.429 3.910 50 0 biogenic DHAARN Cc1nn(-c2ccccc2C)c2[nH]c(-c3ccccc3)cc(=O)c12 ZINC000005827712 181287952 /nfs/dbraw/zinc/28/79/52/181287952.db2.gz CGTGYIVUVMGHPU-UHFFFAOYSA-N 0 0 315.376 3.998 50 0 DHAARN CC(C)c1ccc(/C=C\C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000005862428 181291051 /nfs/dbraw/zinc/29/10/51/181291051.db2.gz RLDCLNPHDJJBGL-XGICHPGQSA-N 0 0 308.381 3.561 50 0 DHAARN COC(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000005879538 181292340 /nfs/dbraw/zinc/29/23/40/181292340.db2.gz SYNJWVIJLOVJRT-UHFFFAOYSA-N 0 0 304.733 3.771 50 0 DHAARN Cc1ccc2c(c1)[C@@H](NCc1nncn1-c1ccccc1)[C@H](C)C2 ZINC000180097846 199116410 /nfs/dbraw/zinc/11/64/10/199116410.db2.gz IHKSGJPQRANFQY-QRWLVFNGSA-N 0 0 318.424 3.599 50 0 DHAARN Cc1c(NC(=O)N[C@@H](C)c2cccc(O)c2)cccc1N(C)C ZINC000180181581 199127577 /nfs/dbraw/zinc/12/75/77/199127577.db2.gz LGFFCFJOWBTOIN-ZDUSSCGKSA-N 0 0 313.401 3.649 50 0 DHAARN S=C1N=NC(COc2cccc(Cl)c2)N1c1ccccc1 ZINC000005927550 181297457 /nfs/dbraw/zinc/29/74/57/181297457.db2.gz CJOXCVZOGXIMGN-UHFFFAOYSA-N 0 0 317.801 3.788 50 0 DHAARN Cc1ccc(Cn2ccc(O)c(C/C=C/c3ccccc3)c2=O)o1 ZINC000005942775 181299346 /nfs/dbraw/zinc/29/93/46/181299346.db2.gz INKVUWIIWTVCTA-VMPITWQZSA-N 0 0 321.376 3.760 50 0 DHAARN CCC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000185829890 199892703 /nfs/dbraw/zinc/89/27/03/199892703.db2.gz DTWCAVWLLXTDOC-QGZVFWFLSA-N 0 0 311.381 3.920 50 0 DHAARN COCc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000089420298 192785360 /nfs/dbraw/zinc/78/53/60/192785360.db2.gz VTCOKHMRVUOUKP-GHMZBOCLSA-N 0 0 305.761 3.822 50 0 DHAARN Cc1cc(CNc2ccc(N3CCOC3=O)cc2)ccc1F ZINC000089587765 192822264 /nfs/dbraw/zinc/82/22/64/192822264.db2.gz BXAMNNSCNPIDGH-UHFFFAOYSA-N 0 0 300.333 3.703 50 0 DHAARN Cc1cc(Oc2ccc(NC(=O)c3scnc3C)cc2)n[nH]1 ZINC000089599221 192824740 /nfs/dbraw/zinc/82/47/40/192824740.db2.gz CRONXBVGEFSMGW-UHFFFAOYSA-N 0 0 314.370 3.528 50 0 DHAARN CC(C)C[C@@H](NC(=O)c1cnc(Cl)cn1)c1ccccc1 ZINC000089821043 192879105 /nfs/dbraw/zinc/87/91/05/192879105.db2.gz LAUBONFFWCEHRS-CYBMUJFWSA-N 0 0 303.793 3.647 50 0 DHAARN C[C@H](Cc1ccccc1F)Nc1cccc(C[S@@](C)=O)c1 ZINC000188419821 200243177 /nfs/dbraw/zinc/24/31/77/200243177.db2.gz XDUFWSVMFPTERI-LRTDBIEQSA-N 0 0 305.418 3.747 50 0 DHAARN Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CCCc2occc21 ZINC000241383431 202463638 /nfs/dbraw/zinc/46/36/38/202463638.db2.gz MVIHQGNFKVUWSX-CYBMUJFWSA-N 0 0 302.374 3.582 50 0 DHAARN O=C(CCc1ccc(O)cc1)N1CCC(c2ccsc2)CC1 ZINC000189256325 200371252 /nfs/dbraw/zinc/37/12/52/200371252.db2.gz MOZQSOCSBKDSAU-UHFFFAOYSA-N 0 0 315.438 3.793 50 0 DHAARN CC(C)N(C(=O)c1cnns1)c1cccc(C(F)(F)F)c1 ZINC000089869676 192889230 /nfs/dbraw/zinc/88/92/30/192889230.db2.gz MBTDVBKOMUSPOU-UHFFFAOYSA-N 0 0 315.320 3.612 50 0 DHAARN COc1ccccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000005965359 181301331 /nfs/dbraw/zinc/30/13/31/181301331.db2.gz PCKDHNVURVMICX-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN Cc1ccsc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000005967254 181302473 /nfs/dbraw/zinc/30/24/73/181302473.db2.gz MQUNGKUCVMDYPT-GFCCVEGCSA-N 0 0 314.406 3.973 50 0 DHAARN Cc1cc2cc(CNC(=S)Nc3ccccc3)ccc2n1C ZINC000006044200 181308008 /nfs/dbraw/zinc/30/80/08/181308008.db2.gz ZHBNHLNTQGFYGO-UHFFFAOYSA-N 0 0 309.438 3.973 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccccn1)C1CC1 ZINC000006080300 181310587 /nfs/dbraw/zinc/31/05/87/181310587.db2.gz PVOAVISNEYHHGQ-UHFFFAOYSA-N 0 0 301.777 3.932 50 0 DHAARN CCCSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 ZINC000006107205 181312666 /nfs/dbraw/zinc/31/26/66/181312666.db2.gz XNCSWJCWUMDLLO-UHFFFAOYSA-N 0 0 311.410 3.591 50 0 DHAARN CCc1c(C)sc(NC(=O)c2cccc(Cl)c2)c1C(N)=O ZINC000006122964 181314444 /nfs/dbraw/zinc/31/44/44/181314444.db2.gz CXQIAOSUJXTATA-UHFFFAOYSA-N 0 0 322.817 3.624 50 0 DHAARN COc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000006152230 181316893 /nfs/dbraw/zinc/31/68/93/181316893.db2.gz FCNROCKGYYYGGP-UHFFFAOYSA-N 0 0 311.259 3.846 50 0 DHAARN CCCn1c2ccccc2nc1NC(=O)Cc1ccc(F)cc1 ZINC000006153920 181316949 /nfs/dbraw/zinc/31/69/49/181316949.db2.gz GHMFZVAJGIDBQN-UHFFFAOYSA-N 0 0 311.360 3.767 50 0 DHAARN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc2[nH]ccc21 ZINC000089894661 192897791 /nfs/dbraw/zinc/89/77/91/192897791.db2.gz NTCZYRVLFOFYSH-ZDUSSCGKSA-N 0 0 306.365 3.559 50 0 DHAARN COc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000006127765 181315528 /nfs/dbraw/zinc/31/55/28/181315528.db2.gz KPVPCFQJNAOUFE-UHFFFAOYSA-N 0 0 317.213 3.643 50 0 DHAARN Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc(F)cc1 ZINC000006185707 181317878 /nfs/dbraw/zinc/31/78/78/181317878.db2.gz UMGSXOWRSJOIMS-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN COC(C)(C)C[C@@H](C)NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000089894790 192898449 /nfs/dbraw/zinc/89/84/49/192898449.db2.gz SZFWRMNJKHGTSS-GFCCVEGCSA-N 0 0 317.389 3.667 50 0 DHAARN Cc1cnc(NC(=O)COc2cc(C(C)C)ccc2C)s1 ZINC000006206125 181319138 /nfs/dbraw/zinc/31/91/38/181319138.db2.gz KEWMAHSFQJFRGQ-UHFFFAOYSA-N 0 0 304.415 3.901 50 0 DHAARN O=C(NCC(F)(F)F)C1c2ccccc2Oc2ccccc21 ZINC000006236829 181322076 /nfs/dbraw/zinc/32/20/76/181322076.db2.gz VXBLYGOTUVGEGH-UHFFFAOYSA-N 0 0 307.271 3.603 50 0 DHAARN CC[C@H](C)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000006307072 181327685 /nfs/dbraw/zinc/32/76/85/181327685.db2.gz BOPKAHUONIEPIW-SCLBCKFNSA-N 0 0 311.381 3.979 50 0 DHAARN CCCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000006308491 181328671 /nfs/dbraw/zinc/32/86/71/181328671.db2.gz DRJDXHGHAOKTLO-UHFFFAOYSA-N 0 0 318.398 3.710 50 0 DHAARN O=C(CC(F)(F)F)N(Cc1ccsc1)c1cccnc1 ZINC000193510318 201066204 /nfs/dbraw/zinc/06/62/04/201066204.db2.gz DKCUCQNSIXKSJV-UHFFFAOYSA-N 0 0 300.305 3.629 50 0 DHAARN CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000006331197 181331022 /nfs/dbraw/zinc/33/10/22/181331022.db2.gz FTBWJTBXXOSUBR-XNTDXEJSSA-N 0 0 322.408 3.821 50 0 DHAARN CCc1ccccc1N1C(=S)N=NC1CCc1ccccc1 ZINC000006395283 181337414 /nfs/dbraw/zinc/33/74/14/181337414.db2.gz OHJBTVKMMRSMPI-UHFFFAOYSA-N 0 0 309.438 3.904 50 0 DHAARN COC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1 ZINC000006397438 181337430 /nfs/dbraw/zinc/33/74/30/181337430.db2.gz ISZGWGHOQICKBI-UHFFFAOYSA-N 0 0 300.383 3.550 50 0 DHAARN Fc1cccc(Cl)c1CC1N=NC(=S)N1Cc1ccco1 ZINC000006402261 181338353 /nfs/dbraw/zinc/33/83/53/181338353.db2.gz JAQSKKLJLBVRIS-UHFFFAOYSA-N 0 0 323.780 3.591 50 0 DHAARN Cc1ccc(F)c(C(=O)N(C)C2CCSCC2)c1Cl ZINC000244742002 202496153 /nfs/dbraw/zinc/49/61/53/202496153.db2.gz OAIUXRXPUAPWHN-UHFFFAOYSA-N 0 0 301.814 3.755 50 0 DHAARN CC(C)CCn1ccc(N[C@H](c2cccs2)c2ncc[nH]2)n1 ZINC000195099493 201338347 /nfs/dbraw/zinc/33/83/47/201338347.db2.gz BQZDMHXJSINWHL-OAHLLOKOSA-N 0 0 315.446 3.915 50 0 DHAARN C/C=C/C=C\C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000006502440 181346832 /nfs/dbraw/zinc/34/68/32/181346832.db2.gz FKBLMGQYNHIZEU-DEQVHDEQSA-N 0 0 307.777 3.571 50 0 DHAARN Cc1ccc(Cl)c(OCC(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000006506444 181347290 /nfs/dbraw/zinc/34/72/90/181347290.db2.gz DQKUBBFBKCSGEF-UHFFFAOYSA-N 0 0 315.760 3.542 50 0 DHAARN Cc1cccc2c1N[C@@H](c1cnc(-c3ccco3)s1)NC2=O ZINC000195265712 201368799 /nfs/dbraw/zinc/36/87/99/201368799.db2.gz RODJZTOKTPHFJY-CQSZACIVSA-N 0 0 311.366 3.566 50 0 DHAARN COc1ccc(OC)c(/C=C\C(=O)Oc2cccc(Cl)c2)c1 ZINC000006497973 181346591 /nfs/dbraw/zinc/34/65/91/181346591.db2.gz OVMGICPPFDSDRM-TWGQIWQCSA-N 0 0 318.756 3.976 50 0 DHAARN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)c(C)cc1Cl ZINC000006527727 181349809 /nfs/dbraw/zinc/34/98/09/181349809.db2.gz VEUSYDLECMDLGQ-UHFFFAOYSA-N 0 0 323.845 3.778 50 0 DHAARN O=C(/C=C/c1nc2ccccc2s1)N1CCc2ccccc21 ZINC000006553163 181354276 /nfs/dbraw/zinc/35/42/76/181354276.db2.gz YPLLWWVYGCGHRC-MDZDMXLPSA-N 0 0 306.390 3.899 50 0 DHAARN Cc1[nH]c2ccc(C(=O)N3CCc4ccccc4C3)cc2c1C ZINC000006559107 181355271 /nfs/dbraw/zinc/35/52/71/181355271.db2.gz RCFUXHPSZLQFOL-UHFFFAOYSA-N 0 0 304.393 3.983 50 0 DHAARN Cc1ccc2nc(CSc3ccc4c(c3)CCC4)cc(=O)n2c1 ZINC000006609248 181360665 /nfs/dbraw/zinc/36/06/65/181360665.db2.gz PRIYTUQHADYBMM-UHFFFAOYSA-N 0 0 322.433 3.784 50 0 DHAARN O=C(Nc1nccs1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000006595340 181359335 /nfs/dbraw/zinc/35/93/35/181359335.db2.gz YLAIIHGBBKNEMU-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN CC(=O)c1ccc(OCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000006624530 181362077 /nfs/dbraw/zinc/36/20/77/181362077.db2.gz WUYDJMVKDTUGNZ-FQEVSTJZSA-N 0 0 324.424 3.890 50 0 biogenic DHAARN Cn1c(NC(=O)c2cccc3ccccc32)nc2ccccc21 ZINC000006628745 181363171 /nfs/dbraw/zinc/36/31/71/181363171.db2.gz SILDUGRGUSNXMA-UHFFFAOYSA-N 0 0 301.349 3.979 50 0 DHAARN O=C(Cc1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 ZINC000006647446 181364565 /nfs/dbraw/zinc/36/45/65/181364565.db2.gz LTRBYNVREKGYID-UHFFFAOYSA-N 0 0 308.208 3.895 50 0 DHAARN O=C1c2cc(Cl)ccc2N(Cc2cccc(Cl)c2)C1=O ZINC000006662878 181367183 /nfs/dbraw/zinc/36/71/83/181367183.db2.gz CSQFKOBJARWUSZ-UHFFFAOYSA-N 0 0 306.148 3.723 50 0 DHAARN C[C@H](c1ccccc1)N(C(=O)N(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000006662146 181367212 /nfs/dbraw/zinc/36/72/12/181367212.db2.gz AKINERRJXZFIDE-GDBMZVCRSA-N 0 0 304.434 3.689 50 0 DHAARN Cc1cc(C)c2c(n1)sc1c2ncnc1NCc1ccncc1 ZINC000006673313 181368667 /nfs/dbraw/zinc/36/86/67/181368667.db2.gz NIYRBKNLGDJZGO-UHFFFAOYSA-N 0 0 321.409 3.863 50 0 DHAARN Cc1ccc2[nH]c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nc2c1 ZINC000006694387 181371039 /nfs/dbraw/zinc/37/10/39/181371039.db2.gz ULIDUSJEAUCJSY-CHWSQXEVSA-N 0 0 317.458 3.753 50 0 DHAARN CCOc1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000006698731 181372018 /nfs/dbraw/zinc/37/20/18/181372018.db2.gz BMNLKHWSNQLNSA-UHFFFAOYSA-N 0 0 313.357 3.688 50 0 DHAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1 ZINC000006700854 181372963 /nfs/dbraw/zinc/37/29/63/181372963.db2.gz BBOKFYBZDAZCIM-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN C[C@@H](NC(=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006700737 181373025 /nfs/dbraw/zinc/37/30/25/181373025.db2.gz ABFYMNNRGMZHAM-LLVKDONJSA-N 0 0 302.761 3.541 50 0 DHAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1 ZINC000006700750 181373085 /nfs/dbraw/zinc/37/30/85/181373085.db2.gz KINAVDYUHOZJST-UHFFFAOYSA-N 0 0 321.380 3.787 50 0 DHAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3cccc(C)c3)n2)cc1 ZINC000006702493 181373639 /nfs/dbraw/zinc/37/36/39/181373639.db2.gz QIIHKVASNIIXNS-CQSZACIVSA-N 0 0 321.380 3.844 50 0 DHAARN CCc1cc2c(ncnc2Nc2cccc(C(=O)OC)c2)s1 ZINC000006701428 181373654 /nfs/dbraw/zinc/37/36/54/181373654.db2.gz DPZVOLYKENVRND-UHFFFAOYSA-N 0 0 313.382 3.784 50 0 DHAARN CC(C)c1ccc(NC(=O)c2cn(C)c(=O)c3ccccc23)cc1 ZINC000006724498 181377412 /nfs/dbraw/zinc/37/74/12/181377412.db2.gz ZFWGOSGUJQHXEY-UHFFFAOYSA-N 0 0 320.392 3.914 50 0 DHAARN NC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000006725447 181377594 /nfs/dbraw/zinc/37/75/94/181377594.db2.gz SZNYUJWUMGHYAA-UHFFFAOYSA-N 0 0 324.167 3.736 50 0 DHAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1 ZINC000006702550 181374336 /nfs/dbraw/zinc/37/43/36/181374336.db2.gz NEKGHDDNTHAJPH-UHFFFAOYSA-N 0 0 322.368 3.791 50 0 DHAARN COc1ccc(NC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000006731008 181379124 /nfs/dbraw/zinc/37/91/24/181379124.db2.gz GACHNXCOEJTPBA-UHFFFAOYSA-N 0 0 300.358 3.965 50 0 DHAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccn1 ZINC000006741497 181380802 /nfs/dbraw/zinc/38/08/02/181380802.db2.gz MRCFSFXBUSIHTG-UHFFFAOYSA-N 0 0 316.817 3.823 50 0 DHAARN Cc1nn(-c2ccc(C)cc2)c2c1C(=O)C[C@H](c1ccco1)C2 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/nfs/dbraw/zinc/03/10/21/182031021.db2.gz VUXXXWLASZHJPN-CXAGYDPISA-N 0 0 319.408 3.651 50 0 DHAARN COc1ccc(S(=O)(=O)Oc2cccc(C(C)C)c2)cc1 ZINC000016090554 182033243 /nfs/dbraw/zinc/03/32/43/182033243.db2.gz XZWOHAGEXGYXJC-UHFFFAOYSA-N 0 0 306.383 3.586 50 0 DHAARN Cc1cc(OS(=O)(=O)c2cccc(F)c2)ccc1Cl ZINC000016093522 182033460 /nfs/dbraw/zinc/03/34/60/182033460.db2.gz OSNMLXZYDVKIMQ-UHFFFAOYSA-N 0 0 300.738 3.555 50 0 DHAARN FC(F)C(F)(F)Oc1ccc(I)cc1 ZINC000016158614 182036058 /nfs/dbraw/zinc/03/60/58/182036058.db2.gz BVBKUIQRNCSAFZ-UHFFFAOYSA-N 0 0 320.023 3.528 50 0 DHAARN COc1ccccc1CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000016227311 182037734 /nfs/dbraw/zinc/03/77/34/182037734.db2.gz SGIJDGOUBUOBKR-FSEJROPFSA-N 0 0 311.381 3.741 50 0 DHAARN CC[C@@H](C)N(C(=O)c1cc2ccccc2oc1=O)[C@@H](C)CC ZINC000016246747 182038306 /nfs/dbraw/zinc/03/83/06/182038306.db2.gz QRKKQMYJBJAYKB-BETUJISGSA-N 0 0 301.386 3.832 50 0 DHAARN Cc1nnc2c3ccccc3nc(NCc3ccc(C)cc3)n12 ZINC000016292432 182039778 /nfs/dbraw/zinc/03/97/78/182039778.db2.gz YMSLFYMOEYTKOM-UHFFFAOYSA-N 0 0 303.369 3.506 50 0 DHAARN Fc1ccccc1NC(=S)N1CCC[C@H](C(F)(F)F)C1 ZINC000016316589 182040050 /nfs/dbraw/zinc/04/00/50/182040050.db2.gz XCRQRLBSJLXVLW-VIFPVBQESA-N 0 0 306.328 3.797 50 0 DHAARN O=c1c2sccc2ncn1Cc1ccc(Cl)cc1Cl ZINC000016331197 182040400 /nfs/dbraw/zinc/04/04/00/182040400.db2.gz MLMVUHSZVPEYBK-UHFFFAOYSA-N 0 0 311.193 3.813 50 0 DHAARN CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000016598637 182051634 /nfs/dbraw/zinc/05/16/34/182051634.db2.gz FGBQFGQYRVVDCA-UHFFFAOYSA-N 0 0 316.376 3.933 50 0 DHAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1C ZINC000016602972 182052034 /nfs/dbraw/zinc/05/20/34/182052034.db2.gz PDAJSYMZBQMLQR-LBPRGKRZSA-N 0 0 304.777 3.758 50 0 DHAARN CC[C@@H]1CCc2sc(C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2C1 ZINC000016605533 182052947 /nfs/dbraw/zinc/05/29/47/182052947.db2.gz SZSDGYOOFLKRNZ-SCRDCRAPSA-N 0 0 307.459 3.560 50 0 DHAARN O=C(OCCOc1ccc(Cl)cc1)c1ccc(Cl)nc1 ZINC000016694869 182058328 /nfs/dbraw/zinc/05/83/28/182058328.db2.gz WHNDIUFRNXYLLD-UHFFFAOYSA-N 0 0 312.152 3.624 50 0 DHAARN COc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)ccc1O ZINC000016698661 182058357 /nfs/dbraw/zinc/05/83/57/182058357.db2.gz JBPHRNIKVNCWPR-SDQBBNPISA-N 0 0 301.729 3.547 50 0 biogenic DHAARN COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000016972781 182066852 /nfs/dbraw/zinc/06/68/52/182066852.db2.gz FESSLFCHRGAANQ-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1F ZINC000017155983 182078152 /nfs/dbraw/zinc/07/81/52/182078152.db2.gz ARRXEGTUQGPADB-CYBMUJFWSA-N 0 0 301.361 3.585 50 0 DHAARN CCn1ncc(CNC(=S)Nc2cc(Cl)ccc2C)c1C ZINC000017056376 182073275 /nfs/dbraw/zinc/07/32/75/182073275.db2.gz FFGUKPMOERZXFR-UHFFFAOYSA-N 0 0 322.865 3.660 50 0 DHAARN C[C@H](NC(=O)NCCc1ccccc1)c1cccc(Cl)c1 ZINC000017115782 182075729 /nfs/dbraw/zinc/07/57/29/182075729.db2.gz MOYXQUPKSNMVFM-ZDUSSCGKSA-N 0 0 302.805 3.943 50 0 DHAARN CC(C)CNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000017127690 182076487 /nfs/dbraw/zinc/07/64/87/182076487.db2.gz RIOKHAKSTGUEEU-UHFFFAOYSA-N 0 0 305.381 3.683 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1F ZINC000017339929 182083894 /nfs/dbraw/zinc/08/38/94/182083894.db2.gz PCZCGFYQUOEIHO-UHFFFAOYSA-N 0 0 311.360 3.685 50 0 DHAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)OCO2 ZINC000017589524 182084698 /nfs/dbraw/zinc/08/46/98/182084698.db2.gz BITWBQXYXHSKRZ-UHFFFAOYSA-N 0 0 324.361 3.791 50 0 DHAARN COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cn1 ZINC000017296600 182081798 /nfs/dbraw/zinc/08/17/98/182081798.db2.gz VPZZYPROHUIAAS-UHFFFAOYSA-N 0 0 308.790 3.718 50 0 DHAARN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000017315965 182082911 /nfs/dbraw/zinc/08/29/11/182082911.db2.gz GSHGSVMVQTVQCW-LLVKDONJSA-N 0 0 304.340 3.774 50 0 DHAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCc2ccccc2C1 ZINC000017321910 182083474 /nfs/dbraw/zinc/08/34/74/182083474.db2.gz CZICBTKJEAHPDH-UHFFFAOYSA-N 0 0 318.376 3.849 50 0 DHAARN Cc1ccc(-c2nc(SCC(=O)c3ccccc3)n[nH]2)cc1 ZINC000018068214 182092314 /nfs/dbraw/zinc/09/23/14/182092314.db2.gz XFJPUYWKLVMOJZ-UHFFFAOYSA-N 0 0 309.394 3.755 50 0 DHAARN O=C(NCCc1cccc(F)c1)c1ccccc1C(F)(F)F ZINC000018136672 182094307 /nfs/dbraw/zinc/09/43/07/182094307.db2.gz HVLLZMUDJJQETQ-UHFFFAOYSA-N 0 0 311.278 3.817 50 0 DHAARN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000017920871 182088071 /nfs/dbraw/zinc/08/80/71/182088071.db2.gz ZAZIKYJVJZPJLK-UHFFFAOYSA-N 0 0 324.405 3.927 50 0 DHAARN O=C(Nc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000018176792 182096481 /nfs/dbraw/zinc/09/64/81/182096481.db2.gz UOSYFMHBGBFGJN-UHFFFAOYSA-N 0 0 313.332 3.597 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)C1CC1 ZINC000018208058 182099053 /nfs/dbraw/zinc/09/90/53/182099053.db2.gz BGMPDRMGGLVIGR-SECBINFHSA-N 0 0 304.390 3.786 50 0 DHAARN COc1cc(C(=O)NCCSc2ccccc2)ccc1C ZINC000018214761 182099521 /nfs/dbraw/zinc/09/95/21/182099521.db2.gz ULQORXAPYDLPMH-UHFFFAOYSA-N 0 0 301.411 3.526 50 0 DHAARN Cc1cc([C@@H]2CCCCCN2C(=O)c2ccccc2F)on1 ZINC000019120168 182104971 /nfs/dbraw/zinc/10/49/71/182104971.db2.gz NUTMPMSURFOGQI-HNNXBMFYSA-N 0 0 302.349 3.880 50 0 DHAARN Fc1cccc(CN2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000019359645 182119424 /nfs/dbraw/zinc/11/94/24/182119424.db2.gz OVBRPLFRBHHIEZ-UITAMQMPSA-N 0 0 310.416 3.657 50 0 DHAARN Fc1cccc(Cl)c1-c1nc2c[nH]n(Cc3ccco3)c-2n1 ZINC000019608161 182133612 /nfs/dbraw/zinc/13/36/12/182133612.db2.gz TXDAQNNUFUCTJP-UHFFFAOYSA-N 0 0 316.723 3.860 50 0 DHAARN COc1ccc(CCN(C)Cc2c(F)cccc2F)cc1OC ZINC000019608760 182133791 /nfs/dbraw/zinc/13/37/91/182133791.db2.gz LQSGWGSRNXTWEJ-UHFFFAOYSA-N 0 0 321.367 3.657 50 0 DHAARN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000019736383 182140929 /nfs/dbraw/zinc/14/09/29/182140929.db2.gz GPUVZMNLMBMQSD-LLVKDONJSA-N 0 0 304.777 3.637 50 0 DHAARN c1coc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 ZINC000019798696 182150971 /nfs/dbraw/zinc/15/09/71/182150971.db2.gz KPBADAPVRFGZPS-QFBILLFUSA-N 0 0 317.348 3.917 50 0 DHAARN COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ncc(C)s2)cc1 ZINC000019927609 182165114 /nfs/dbraw/zinc/16/51/14/182165114.db2.gz YUPYSKJNNWAEPR-HZMBPMFUSA-N 0 0 320.439 3.627 50 0 DHAARN CC(C)[C@H]1CCCCN1C(=O)Nc1ccccc1C[S@](C)=O ZINC000160309132 197398985 /nfs/dbraw/zinc/39/89/85/197398985.db2.gz QBZRFIZUBIDNMF-OPAMFIHVSA-N 0 0 322.474 3.608 50 0 DHAARN CCCCSc1nc(=O)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000020100243 182186471 /nfs/dbraw/zinc/18/64/71/182186471.db2.gz BDFVQWVXFXSHRM-UHFFFAOYSA-N 0 0 324.471 3.728 50 0 DHAARN CC1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)CC1 ZINC000020113019 182188612 /nfs/dbraw/zinc/18/86/12/182188612.db2.gz WPUTXXCYYZCLMJ-UHFFFAOYSA-N 0 0 302.418 3.543 50 0 DHAARN CCOc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1 ZINC000020176852 182194669 /nfs/dbraw/zinc/19/46/69/182194669.db2.gz JISNYZIEUXYFCA-UHFFFAOYSA-N 0 0 320.370 3.577 50 0 DHAARN Cc1ccc(OCCn2c3ccccc3n(CC(C)C)c2=N)cc1 ZINC000020158972 182193800 /nfs/dbraw/zinc/19/38/00/182193800.db2.gz QEXYNQNSBJVJSN-UHFFFAOYSA-N 0 0 323.440 3.966 50 0 DHAARN O=C1c2ccccc2[C@@H](Nc2ccccn2)N1Cc1ccccc1 ZINC000020319133 182206276 /nfs/dbraw/zinc/20/62/76/182206276.db2.gz AGNRXMFPDXSEHY-IBGZPJMESA-N 0 0 315.376 3.848 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c(C)c1 ZINC000020279069 182203248 /nfs/dbraw/zinc/20/32/48/182203248.db2.gz WCWLGEQUWKVPLU-GOSISDBHSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1ccc(-c2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 ZINC000020394140 182214093 /nfs/dbraw/zinc/21/40/93/182214093.db2.gz TZFFWVAYERVOFY-ZIAGYGMSSA-N 0 0 302.443 3.728 50 0 DHAARN Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC000020398841 182214346 /nfs/dbraw/zinc/21/43/46/182214346.db2.gz DUPFJQJDTGTOTQ-SFHVURJKSA-N 0 0 322.408 3.547 50 0 DHAARN Cc1ccc(-c2csc3ncnc(NCCCO)c23)cc1C ZINC000020322092 182206873 /nfs/dbraw/zinc/20/68/73/182206873.db2.gz ISCYVARBGYJVSS-UHFFFAOYSA-N 0 0 313.426 3.769 50 0 DHAARN Cc1ccccc1CN1CCN(C(=O)Nc2ccccc2C)CC1 ZINC000020418554 182215725 /nfs/dbraw/zinc/21/57/25/182215725.db2.gz QPXPFHDERGAGTF-UHFFFAOYSA-N 0 0 323.440 3.653 50 0 DHAARN O=C(c1cn2cc(Cl)ccc2n1)N1CC[C@H]1c1ccccc1 ZINC000020514504 182226830 /nfs/dbraw/zinc/22/68/30/182226830.db2.gz YUCIEDSJECHXOO-HNNXBMFYSA-N 0 0 311.772 3.575 50 0 DHAARN C[C@H](CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000020550626 182230313 /nfs/dbraw/zinc/23/03/13/182230313.db2.gz OKGWGMOPOXWGFB-GOSISDBHSA-N 0 0 322.452 3.525 50 0 DHAARN CCOC(=O)c1c(C)oc2ncnc(N[C@H]3CCCC[C@H]3C)c21 ZINC000020575341 182234590 /nfs/dbraw/zinc/23/45/90/182234590.db2.gz OPTQOZFYFVIUIA-PWSUYJOCSA-N 0 0 317.389 3.699 50 0 DHAARN Cc1ccnn1C[C@@H](C)CNC(=O)Nc1cccc2ccccc21 ZINC000020606974 182237928 /nfs/dbraw/zinc/23/79/28/182237928.db2.gz FSKNDFCDEUWWDU-AWEZNQCLSA-N 0 0 322.412 3.803 50 0 DHAARN O=C(COc1cccc2[nH]ccc21)Nc1cccc2ncccc21 ZINC000020734786 182244901 /nfs/dbraw/zinc/24/49/01/182244901.db2.gz HRUVVOXQYKERMX-UHFFFAOYSA-N 0 0 317.348 3.734 50 0 DHAARN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000020744465 182245685 /nfs/dbraw/zinc/24/56/85/182245685.db2.gz NTTHKKPISQKWFX-IBGZPJMESA-N 0 0 320.392 3.660 50 0 DHAARN COc1ccc(F)c(F)c1CN1CCCC[C@@H]1c1cc(C)on1 ZINC000097743101 193752738 /nfs/dbraw/zinc/75/27/38/193752738.db2.gz ZGCOONIZYUQSIQ-OAHLLOKOSA-N 0 0 322.355 3.997 50 0 DHAARN COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(C)ccc1C)CO2 ZINC000021094941 182264501 /nfs/dbraw/zinc/26/45/01/182264501.db2.gz UJLIAEBKASWWJR-HNNXBMFYSA-N 0 0 311.381 3.502 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2ccccc2F)n1-c1ccccc1 ZINC000021108124 182265079 /nfs/dbraw/zinc/26/50/79/182265079.db2.gz BGQNTVXGYZNTMI-GOSISDBHSA-N 0 0 319.339 3.992 50 0 DHAARN COc1cccc(NC(=O)C[C@H](c2ccco2)n2cccc2)c1 ZINC000020997267 182258289 /nfs/dbraw/zinc/25/82/89/182258289.db2.gz DQLGJHQJAADVSI-MRXNPFEDSA-N 0 0 310.353 3.708 50 0 DHAARN COc1ccc(CCC(=O)NCCC2=CCCCC2)cc1OC ZINC000021002814 182258596 /nfs/dbraw/zinc/25/85/96/182258596.db2.gz OQVMCLQYENEVQK-UHFFFAOYSA-N 0 0 317.429 3.643 50 0 DHAARN COCc1ccc(C(=O)NC[C@H](C)c2ccc(Cl)cc2)o1 ZINC000097745226 193753293 /nfs/dbraw/zinc/75/32/93/193753293.db2.gz BDBQKSWLJLYYHY-NSHDSACASA-N 0 0 307.777 3.613 50 0 DHAARN COc1ccccc1NC(=O)NCCCSCc1ccco1 ZINC000021148880 182266807 /nfs/dbraw/zinc/26/68/07/182266807.db2.gz AQPXPGQKGIFMOD-UHFFFAOYSA-N 0 0 320.414 3.733 50 0 DHAARN COc1ccc(-c2csc(NC(=O)C3CCC3)n2)c(OC)c1 ZINC000021194927 182269001 /nfs/dbraw/zinc/26/90/01/182269001.db2.gz LCSQDMAWDLXMER-UHFFFAOYSA-N 0 0 318.398 3.566 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)Nc1cccc2cnccc21 ZINC000021218401 182269421 /nfs/dbraw/zinc/26/94/21/182269421.db2.gz VXSLEPXHIISACF-UHFFFAOYSA-N 0 0 316.364 3.682 50 0 DHAARN O=C(COc1ccc(Cl)cc1)N1CCSc2ccccc21 ZINC000021331629 182271929 /nfs/dbraw/zinc/27/19/29/182271929.db2.gz HQRJRVWVPQUNOV-UHFFFAOYSA-N 0 0 319.813 3.858 50 0 DHAARN CCc1cccc(NC(=O)COc2nc(C)nc3ccccc32)c1 ZINC000021361076 182272991 /nfs/dbraw/zinc/27/29/91/182272991.db2.gz QLXXGOGPRNQJJT-UHFFFAOYSA-N 0 0 321.380 3.518 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)on1 ZINC000021718629 182285152 /nfs/dbraw/zinc/28/51/52/182285152.db2.gz VGXXAKFFGWHJLS-CYBMUJFWSA-N 0 0 324.302 3.979 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Cc2ccccc2Cl)on1 ZINC000021718659 182285188 /nfs/dbraw/zinc/28/51/88/182285188.db2.gz GGGOYGPIMRNOAA-CQSZACIVSA-N 0 0 304.777 3.543 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)no1 ZINC000021718900 182285497 /nfs/dbraw/zinc/28/54/97/182285497.db2.gz JEJARTADSHQSAA-OAHLLOKOSA-N 0 0 322.767 3.682 50 0 DHAARN Cc1ccc(-n2ccnc(NCc3ccc(F)cc3)c2=O)c(C)c1 ZINC000021537133 182279429 /nfs/dbraw/zinc/27/94/29/182279429.db2.gz VTLFMPLPPDSMBR-UHFFFAOYSA-N 0 0 323.371 3.601 50 0 DHAARN CCc1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000021559664 182280334 /nfs/dbraw/zinc/28/03/34/182280334.db2.gz XSJKEPNCQLNAPP-KRWDZBQOSA-N 0 0 324.424 3.655 50 0 DHAARN C[C@H](CCc1ccco1)Nc1nc(-c2ccccc2F)no1 ZINC000021630274 182281260 /nfs/dbraw/zinc/28/12/60/182281260.db2.gz IKRXIMUORAZSAE-LLVKDONJSA-N 0 0 301.321 3.902 50 0 DHAARN O=C(NC1CCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000021648727 182282003 /nfs/dbraw/zinc/28/20/03/182282003.db2.gz IQOSQLPAOOGBMI-UHFFFAOYSA-N 0 0 311.410 3.759 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)no1 ZINC000021791505 182288998 /nfs/dbraw/zinc/28/89/98/182288998.db2.gz XLVZABMWZMAHHG-OAHLLOKOSA-N 0 0 302.349 3.914 50 0 DHAARN CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1 ZINC000021798358 182290448 /nfs/dbraw/zinc/29/04/48/182290448.db2.gz PGPUQSFWZGFGKA-UHFFFAOYSA-N 0 0 320.392 3.579 50 0 DHAARN Clc1cccc2nc3n(c21)CCN(CCc1ccccc1)C3 ZINC000021799899 182290825 /nfs/dbraw/zinc/29/08/25/182290825.db2.gz MIIUXROKHBEDLZ-UHFFFAOYSA-N 0 0 311.816 3.748 50 0 DHAARN COc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 ZINC000021820979 182293708 /nfs/dbraw/zinc/29/37/08/182293708.db2.gz LXWSNSOIXTXSJB-UHFFFAOYSA-N 0 0 306.383 3.586 50 0 DHAARN COc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000021836805 182294991 /nfs/dbraw/zinc/29/49/91/182294991.db2.gz KDASTRCDVPULDW-GFCCVEGCSA-N 0 0 317.360 3.676 50 0 DHAARN O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H]1c1ccccc1 ZINC000021890366 182296795 /nfs/dbraw/zinc/29/67/95/182296795.db2.gz PZZJWKAUKIQAOG-FDPSAONLSA-N 0 0 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335028007 /nfs/dbraw/zinc/02/80/07/335028007.db2.gz AUNJSWZOPDKVDG-AWEZNQCLSA-N 0 0 320.393 3.730 50 0 DHAARN Cc1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 ZINC000026701436 182450877 /nfs/dbraw/zinc/45/08/77/182450877.db2.gz IQQSKSWMYFLFTQ-UHFFFAOYSA-N 0 0 302.280 3.902 50 0 DHAARN O=C(COc1ccc(Cl)c2cccnc12)NC1CCCCC1 ZINC000028047705 182506034 /nfs/dbraw/zinc/50/60/34/182506034.db2.gz OTQWIMXYNBPXEA-UHFFFAOYSA-N 0 0 318.804 3.716 50 0 DHAARN O=C(Cc1ccccc1)NCCc1csc(-c2ccccc2)n1 ZINC000027992549 182503285 /nfs/dbraw/zinc/50/32/85/182503285.db2.gz LFRVKPWOVBMOIK-UHFFFAOYSA-N 0 0 322.433 3.712 50 0 DHAARN O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccccc1F ZINC000027993956 182503286 /nfs/dbraw/zinc/50/32/86/182503286.db2.gz OHVVMSFCYPHGJJ-UHFFFAOYSA-N 0 0 300.264 3.872 50 0 DHAARN COc1ccc(NC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000028579679 182530668 /nfs/dbraw/zinc/53/06/68/182530668.db2.gz HVOWFHKCRLJCAK-UHFFFAOYSA-N 0 0 322.368 3.584 50 0 DHAARN CCCc1cc(C(=O)Nc2ccc(N(C)C)nc2)sc1C ZINC000030117743 182584124 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/nfs/dbraw/zinc/03/96/43/184039643.db2.gz UHVRMMKFOZSLHO-CYBMUJFWSA-N 0 0 322.474 3.525 50 0 DHAARN CCCN(CCC)C(=O)CN1CCc2sccc2[C@H]1CC ZINC000057625637 184042509 /nfs/dbraw/zinc/04/25/09/184042509.db2.gz QCKIDDWCVFPHNR-OAHLLOKOSA-N 0 0 308.491 3.706 50 0 DHAARN O=C(/C=C/c1ccco1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000057786087 184052891 /nfs/dbraw/zinc/05/28/91/184052891.db2.gz BCICKCYJNMOIBJ-BQYQJAHWSA-N 0 0 314.360 3.535 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2csc3c2CCCC3)c1 ZINC000058065025 184072867 /nfs/dbraw/zinc/07/28/67/184072867.db2.gz CMYVMHRAUCDSOD-UHFFFAOYSA-N 0 0 317.410 3.896 50 0 DHAARN CC(C)N(C(=O)CN1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 ZINC000058101864 184075202 /nfs/dbraw/zinc/07/52/02/184075202.db2.gz LJKHQIOGQZXVQP-GOSISDBHSA-N 0 0 311.429 3.593 50 0 DHAARN CCOc1ccc(N[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000057897312 184061291 /nfs/dbraw/zinc/06/12/91/184061291.db2.gz FTRUKHHQRQPJNB-ZNMIVQPWSA-N 0 0 304.434 3.675 50 0 DHAARN O=C(Nc1ccccc1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000057975952 184064108 /nfs/dbraw/zinc/06/41/08/184064108.db2.gz OOEKLZNHGNNVCW-UHFFFAOYSA-N 0 0 322.408 3.745 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000057984959 184064417 /nfs/dbraw/zinc/06/44/17/184064417.db2.gz FJMYSMKWBBEBIX-ZDUSSCGKSA-N 0 0 303.431 3.880 50 0 DHAARN CC(C)Oc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000058009472 184066958 /nfs/dbraw/zinc/06/69/58/184066958.db2.gz SDNQFCBEUIDCCP-HNNXBMFYSA-N 0 0 311.381 3.664 50 0 DHAARN CCN(C[C@@H]1CCOC1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000058174550 184084584 /nfs/dbraw/zinc/08/45/84/184084584.db2.gz UIMHYLVVHLWZBA-AWEZNQCLSA-N 0 0 324.424 3.611 50 0 DHAARN Cc1noc(CNc2ccccc2N(C)Cc2ccccc2)n1 ZINC000058179670 184085058 /nfs/dbraw/zinc/08/50/58/184085058.db2.gz YCEVBFYIPDWJJI-UHFFFAOYSA-N 0 0 308.385 3.627 50 0 DHAARN Cc1cn2cc(NC(=O)c3cc(C)nc4ccccc43)ccc2n1 ZINC000058180931 184085397 /nfs/dbraw/zinc/08/53/97/184085397.db2.gz INNXFGPHTKDKCJ-UHFFFAOYSA-N 0 0 316.364 3.752 50 0 DHAARN Cc1cc(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)no1 ZINC000058243966 184093696 /nfs/dbraw/zinc/09/36/96/184093696.db2.gz INBDCYBUWXHPJJ-UHFFFAOYSA-N 0 0 323.396 3.793 50 0 DHAARN CC(=O)c1cccc(NC(=O)N(Cc2cccc(O)c2)C2CC2)c1 ZINC000058193310 184086534 /nfs/dbraw/zinc/08/65/34/184086534.db2.gz UGZSNBGGMFGXPY-UHFFFAOYSA-N 0 0 324.380 3.791 50 0 DHAARN O=C(CC1CCCC1)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000058197852 184087100 /nfs/dbraw/zinc/08/71/00/184087100.db2.gz MWLAYZUGNYMCLN-UHFFFAOYSA-N 0 0 319.420 3.570 50 0 DHAARN CCCOCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000058202461 184087479 /nfs/dbraw/zinc/08/74/79/184087479.db2.gz LIMAIULFGUSXEU-UHFFFAOYSA-N 0 0 318.373 3.717 50 0 DHAARN COc1cccc(CNC(=O)/C=C(/C)CCc2ccccc2)c1 ZINC000058217886 184089647 /nfs/dbraw/zinc/08/96/47/184089647.db2.gz OJHSAKDLGZTPIW-SSZFMOIBSA-N 0 0 309.409 3.891 50 0 DHAARN C[C@@H](c1ccncc1)N(C)C(=O)c1cc(-c2ccccc2)no1 ZINC000058367614 184109520 /nfs/dbraw/zinc/10/95/20/184109520.db2.gz ORQBVXHUKAVWJQ-ZDUSSCGKSA-N 0 0 307.353 3.570 50 0 DHAARN CCN(C(=O)[C@H](C)c1c(C)nn(C)c1C)c1ccc(C)cc1C ZINC000058377905 184110326 /nfs/dbraw/zinc/11/03/26/184110326.db2.gz LWJJWYIQNLRBSD-CQSZACIVSA-N 0 0 313.445 3.810 50 0 DHAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccnc1 ZINC000058379920 184110864 /nfs/dbraw/zinc/11/08/64/184110864.db2.gz JBUUADJJDLOYDB-UHFFFAOYSA-N 0 0 317.392 3.628 50 0 DHAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cn(C)c2ccccc12 ZINC000058381784 184111444 /nfs/dbraw/zinc/11/14/44/184111444.db2.gz YPDXIODYFFMNDK-RDTXWAMCSA-N 0 0 314.429 3.503 50 0 DHAARN C[C@@H]1CCCC[C@@H]1OCCSc1nnc(C(F)(F)F)n1C ZINC000058245197 184094033 /nfs/dbraw/zinc/09/40/33/184094033.db2.gz BJQUIFSDNUOHNE-ZJUUUORDSA-N 0 0 323.384 3.521 50 0 DHAARN O=C(c1ccccc1)c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000058248548 184094997 /nfs/dbraw/zinc/09/49/97/184094997.db2.gz HVNNIZAZTFMAJG-UHFFFAOYSA-N 0 0 320.348 3.757 50 0 DHAARN C[C@@H](OCC1CC1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000058268537 184097923 /nfs/dbraw/zinc/09/79/23/184097923.db2.gz ZDKKPHISXCMQMG-LLVKDONJSA-N 0 0 302.399 3.564 50 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COc1cc(CN(C)C(=O)NC2CCCC2)ccc1SC ZINC000058522997 184121622 /nfs/dbraw/zinc/12/16/22/184121622.db2.gz LVEGJBVWIPFXEN-UHFFFAOYSA-N 0 0 308.447 3.501 50 0 DHAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(F)cc1Cl ZINC000060372726 184147519 /nfs/dbraw/zinc/14/75/19/184147519.db2.gz CZDAIVXJQXKCMA-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN CCCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000059288768 184136427 /nfs/dbraw/zinc/13/64/27/184136427.db2.gz ZXEAPICOUCYMOV-UHFFFAOYSA-N 0 0 319.426 3.691 50 0 DHAARN CC(C)N(Cc1ccccc1)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000059423547 184138693 /nfs/dbraw/zinc/13/86/93/184138693.db2.gz KPEFFKBCWXNPFZ-IBGZPJMESA-N 0 0 322.408 3.941 50 0 DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1OCCO2 ZINC000060135307 184144700 /nfs/dbraw/zinc/14/47/00/184144700.db2.gz JAVDMGUBEXUDIH-UHFFFAOYSA-N 0 0 307.708 3.503 50 0 DHAARN CCOC(=O)c1ccc(OCCCOc2ccccc2)cc1 ZINC000061111789 184161740 /nfs/dbraw/zinc/16/17/40/184161740.db2.gz LZZAXBJEHPKJCY-UHFFFAOYSA-N 0 0 300.354 3.711 50 0 DHAARN Cc1occc1C(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000061231897 184166743 /nfs/dbraw/zinc/16/67/43/184166743.db2.gz HCGJBZCNSTXHBC-MRXNPFEDSA-N 0 0 309.369 3.750 50 0 DHAARN Cc1nn(C)c2c1[C@H](c1cccc3cccnc31)SCC(=O)N2 ZINC000061720319 184185326 /nfs/dbraw/zinc/18/53/26/184185326.db2.gz XTPUMUCKGSHYNR-INIZCTEOSA-N 0 0 324.409 3.701 50 0 DHAARN CC(C)c1cc(C(=O)Nc2ccccn2)n(-c2ccccc2)n1 ZINC000061719040 184185477 /nfs/dbraw/zinc/18/54/77/184185477.db2.gz VSDDYELZMSEMBT-UHFFFAOYSA-N 0 0 306.369 3.643 50 0 DHAARN CC(C)c1cc(C(=O)Nc2ccncc2)n(-c2ccccc2)n1 ZINC000061719015 184185502 /nfs/dbraw/zinc/18/55/02/184185502.db2.gz BCAICGYWNNKTNM-UHFFFAOYSA-N 0 0 306.369 3.643 50 0 DHAARN COc1cccc2c1ccn2CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000062001623 184200752 /nfs/dbraw/zinc/20/07/52/184200752.db2.gz WOTBURQPLVQGJC-UHFFFAOYSA-N 0 0 319.364 3.770 50 0 biogenic DHAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1cccc(Cl)c1 ZINC000064472016 184298145 /nfs/dbraw/zinc/29/81/45/184298145.db2.gz ZSIDGELZNONRHB-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN COc1cccc(CC(=O)N2CCC[C@@H]2c2ccccc2F)c1 ZINC000064579948 184300573 /nfs/dbraw/zinc/30/05/73/184300573.db2.gz PXQNAMMVCPBDMK-GOSISDBHSA-N 0 0 313.372 3.741 50 0 DHAARN CCn1ncc(Cl)c1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000064579978 184300578 /nfs/dbraw/zinc/30/05/78/184300578.db2.gz ISKMYPZJUNZLKL-CQSZACIVSA-N 0 0 321.783 3.673 50 0 DHAARN Cc1nc(CN(C)C(=O)NCc2c(C)cc(C)cc2C)cs1 ZINC000063798892 184288738 /nfs/dbraw/zinc/28/87/38/184288738.db2.gz BNLWXWWPMZVWFZ-UHFFFAOYSA-N 0 0 317.458 3.718 50 0 DHAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2ccccc2F)cc1 ZINC000064579946 184300615 /nfs/dbraw/zinc/30/06/15/184300615.db2.gz JFNZKYBJRGJOKV-GOSISDBHSA-N 0 0 313.372 3.741 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)cc1 ZINC000064579929 184300653 /nfs/dbraw/zinc/30/06/53/184300653.db2.gz ZQHJCVGJTSWGRX-GOSISDBHSA-N 0 0 313.372 3.741 50 0 DHAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2cccc(F)c2)nc1 ZINC000065030148 184308761 /nfs/dbraw/zinc/30/87/61/184308761.db2.gz KBYPZWXHVVQGDG-UHFFFAOYSA-N 0 0 324.330 3.957 50 0 DHAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1 ZINC000065114119 184310865 /nfs/dbraw/zinc/31/08/65/184310865.db2.gz XMAYSJLZLBTAQW-UHFFFAOYSA-N 0 0 307.353 3.777 50 0 DHAARN Cn1nccc1-c1cccc(-c2noc(-c3cccc(F)c3)n2)c1 ZINC000065137283 184311659 /nfs/dbraw/zinc/31/16/59/184311659.db2.gz KRJRMGRMBFBOSQ-UHFFFAOYSA-N 0 0 320.327 3.943 50 0 DHAARN Cn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000065137231 184311678 /nfs/dbraw/zinc/31/16/78/184311678.db2.gz WRTQPLOUVWLKFW-UHFFFAOYSA-N 0 0 308.366 3.866 50 0 DHAARN Cn1nccc1-c1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC000065137285 184311777 /nfs/dbraw/zinc/31/17/77/184311777.db2.gz RNWHBJWLBJIQAN-UHFFFAOYSA-N 0 0 320.327 3.943 50 0 DHAARN O=C(Nc1cc(-c2cccs2)no1)c1cc(F)cc(F)c1 ZINC000065152962 184311840 /nfs/dbraw/zinc/31/18/40/184311840.db2.gz OULFQFBRAFSZHQ-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN O=C1COc2ccccc2CN1c1cccc(OC(F)(F)F)c1 ZINC000065184293 184314063 /nfs/dbraw/zinc/31/40/63/184314063.db2.gz RSJTWTFOQKAHSF-UHFFFAOYSA-N 0 0 323.270 3.511 50 0 DHAARN Cc1cccc(-c2nnc(Cc3nc(-c4cccs4)no3)o2)c1 ZINC000065185524 184314145 /nfs/dbraw/zinc/31/41/45/184314145.db2.gz ZFZJVGYXKHJKLS-UHFFFAOYSA-N 0 0 324.365 3.747 50 0 DHAARN O=C1C[C@@H](c2cccc(Cl)c2)c2cnn(-c3ccccc3)c2N1 ZINC000064667206 184302079 /nfs/dbraw/zinc/30/20/79/184302079.db2.gz QAWBMJCGOOIBQZ-HNNXBMFYSA-N 0 0 323.783 4.000 50 0 DHAARN O=C1C[C@@H](c2ccccc2)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000064667230 184302379 /nfs/dbraw/zinc/30/23/79/184302379.db2.gz OSMQUYLOJWPOLB-HNNXBMFYSA-N 0 0 323.783 4.000 50 0 DHAARN Clc1cccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1 ZINC000065239606 184316901 /nfs/dbraw/zinc/31/69/01/184316901.db2.gz QLGKCYBSQWKLDG-UHFFFAOYSA-N 0 0 323.743 3.638 50 0 DHAARN C[C@@H](Oc1ccccc1)c1nc(-c2ccc3ncn(C)c3c2)no1 ZINC000065240602 184317823 /nfs/dbraw/zinc/31/78/23/184317823.db2.gz NUURVQGDPSMTNT-GFCCVEGCSA-N 0 0 320.352 3.763 50 0 DHAARN Cc1cccc(-c2cc3n(n2)CCCN(Cc2ccncc2)C3)c1 ZINC000065270455 184320416 /nfs/dbraw/zinc/32/04/16/184320416.db2.gz SCCRSQIZLKAMLU-UHFFFAOYSA-N 0 0 318.424 3.659 50 0 DHAARN CCCN(C(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000065337585 184324983 /nfs/dbraw/zinc/32/49/83/184324983.db2.gz VZDUUOKOSIHTEL-UHFFFAOYSA-N 0 0 315.211 3.996 50 0 DHAARN Oc1ccccc1-c1nc2cnccn2c1Nc1ccc(F)cc1 ZINC000065323302 184324990 /nfs/dbraw/zinc/32/49/90/184324990.db2.gz RQXRPNKLBBDBNP-UHFFFAOYSA-N 0 0 320.327 3.985 50 0 DHAARN CCN(C(=O)Nc1cc(OC)c(OC)cc1C)[C@@H](C)C(C)C ZINC000065357950 184328434 /nfs/dbraw/zinc/32/84/34/184328434.db2.gz JDURSGSKLPQDBQ-ZDUSSCGKSA-N 0 0 308.422 3.911 50 0 DHAARN O=C1C[C@H](c2nc(C3CC3)nn2-c2ccccc2)c2ccccc21 ZINC000065380835 184331810 /nfs/dbraw/zinc/33/18/10/184331810.db2.gz WKZJNELQCARSDB-KRWDZBQOSA-N 0 0 315.376 3.863 50 0 DHAARN CSCc1ccc(C(=O)N(C)C/C=C/c2ccccc2)o1 ZINC000065382603 184332447 /nfs/dbraw/zinc/33/24/47/184332447.db2.gz JZAIHNIJXHSNSH-RMKNXTFCSA-N 0 0 301.411 3.928 50 0 DHAARN C[C@@H](c1n[nH]c(CCc2ccccc2)n1)n1cnc2ccccc21 ZINC000065419632 184341627 /nfs/dbraw/zinc/34/16/27/184341627.db2.gz NLNFIRYRTXLWGA-AWEZNQCLSA-N 0 0 317.396 3.549 50 0 DHAARN O=C(C[C@H](c1ccco1)c1ccccc1)NCc1cccnc1 ZINC000065425915 184342624 /nfs/dbraw/zinc/34/26/24/184342624.db2.gz LOKDASUMTKFWNJ-KRWDZBQOSA-N 0 0 306.365 3.513 50 0 DHAARN CC(C)=Cc1c(-c2ccccc2)ncn1[C@@H](CO)c1cccnc1 ZINC000065451769 184346934 /nfs/dbraw/zinc/34/69/34/184346934.db2.gz LDZURUZAYBBRIU-IBGZPJMESA-N 0 0 319.408 3.950 50 0 DHAARN Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2CCc1ccccc1 ZINC000065454284 184347434 /nfs/dbraw/zinc/34/74/34/184347434.db2.gz LTSMKQIPXMCLRZ-AWEZNQCLSA-N 0 0 311.429 3.776 50 0 DHAARN Cc1ccoc1C(=O)Nc1ccccc1OCc1cscn1 ZINC000065476787 184351765 /nfs/dbraw/zinc/35/17/65/184351765.db2.gz UIRCXQTYHBJWPP-UHFFFAOYSA-N 0 0 314.366 3.876 50 0 DHAARN Cc1cc(CN2CCC[C@H]2c2nc(-c3ccccn3)no2)oc1C ZINC000065532822 184361684 /nfs/dbraw/zinc/36/16/84/184361684.db2.gz AVUYCBAYAIFGTE-INIZCTEOSA-N 0 0 324.384 3.679 50 0 DHAARN Cc1cnc(-c2nc(C3CC3)nn2-c2ccc(Cl)cc2)cn1 ZINC000065531914 184361793 /nfs/dbraw/zinc/36/17/93/184361793.db2.gz LKABZTRLULLCFB-UHFFFAOYSA-N 0 0 311.776 3.564 50 0 DHAARN Cc1ccc(CC(=O)NCCc2coc(-c3ccccc3)n2)cc1 ZINC000065542987 184363656 /nfs/dbraw/zinc/36/36/56/184363656.db2.gz QJQVIMGKNIKBKP-UHFFFAOYSA-N 0 0 320.392 3.551 50 0 DHAARN O=C(NC[C@H]1CCCc2ccccc21)c1ccnc(NC2CC2)c1 ZINC000065551240 184364996 /nfs/dbraw/zinc/36/49/96/184364996.db2.gz ZIIPIQVDTCJZGK-MRXNPFEDSA-N 0 0 321.424 3.506 50 0 DHAARN Cc1noc([C@@H](C)NC(=O)c2sc3cccc(F)c3c2C)n1 ZINC000065553541 184365549 /nfs/dbraw/zinc/36/55/49/184365549.db2.gz UESSAZRFNQNKOU-MRVPVSSYSA-N 0 0 319.361 3.531 50 0 DHAARN CCCc1noc([C@H](C)Sc2nnc(SCC)s2)n1 ZINC000065563241 184366034 /nfs/dbraw/zinc/36/60/34/184366034.db2.gz IMWHIKFTYOKKAL-ZETCQYMHSA-N 0 0 316.477 3.839 50 0 DHAARN C[C@@H]1CCC[C@@](O)(CNC(=O)Nc2cccc3ccccc32)C1 ZINC000065566561 184366884 /nfs/dbraw/zinc/36/68/84/184366884.db2.gz AQRGVGSAODSYOV-KUHUBIRLSA-N 0 0 312.413 3.903 50 0 DHAARN CCN(Cc1csc(N(C)C(C)=O)n1)c1cc(C)ccc1C ZINC000065607884 184372235 /nfs/dbraw/zinc/37/22/35/184372235.db2.gz NCTJTIXTDZGXMW-UHFFFAOYSA-N 0 0 317.458 3.769 50 0 DHAARN COc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2ccco2)C2CC2)cc1 ZINC000065608613 184372744 /nfs/dbraw/zinc/37/27/44/184372744.db2.gz IXDTUSULBZSATQ-ZWKOTPCHSA-N 0 0 311.381 3.583 50 0 DHAARN CC[C@H](c1nnc(-c2ccccc2)[nH]1)N1Cc2ccccc2C1=O ZINC000065497799 184354903 /nfs/dbraw/zinc/35/49/03/184354903.db2.gz XCHVLJWAXQVQFC-MRXNPFEDSA-N 0 0 318.380 3.579 50 0 DHAARN CC[C@@H](c1nnc(-c2ccccc2)[nH]1)N1Cc2ccccc2C1=O ZINC000065497796 184355190 /nfs/dbraw/zinc/35/51/90/184355190.db2.gz XCHVLJWAXQVQFC-INIZCTEOSA-N 0 0 318.380 3.579 50 0 DHAARN CN(CCc1cccc2ccccc21)C(=O)NCc1cccnc1 ZINC000065501036 184355391 /nfs/dbraw/zinc/35/53/91/184355391.db2.gz IUCLDFHQBCKJNK-UHFFFAOYSA-N 0 0 319.408 3.619 50 0 DHAARN CCCCC(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000065622198 184374767 /nfs/dbraw/zinc/37/47/67/184374767.db2.gz CADNSQREXVTLIV-AWEZNQCLSA-N 0 0 316.357 3.684 50 0 DHAARN CC(C)(C)OCc1cccc(CNC(=O)CC[C@H]2CCCO2)c1 ZINC000065626241 184375900 /nfs/dbraw/zinc/37/59/00/184375900.db2.gz UYNBORVXMYMDKY-QGZVFWFLSA-N 0 0 319.445 3.577 50 0 DHAARN CCn1c(C)cc(C(=O)N2CCC[C@H](c3nccs3)C2)c1C ZINC000067047594 184447517 /nfs/dbraw/zinc/44/75/17/184447517.db2.gz QSRYKQZQLVUCCC-AWEZNQCLSA-N 0 0 317.458 3.601 50 0 DHAARN CCC(C)(C)c1ccc2c(C(=O)Nn3cnnc3)csc2c1 ZINC000067820239 184486913 /nfs/dbraw/zinc/48/69/13/184486913.db2.gz IURCTTNVAPLTGP-UHFFFAOYSA-N 0 0 314.414 3.564 50 0 DHAARN C[C@@H](NC(=O)C=Cc1ccco1)c1nc(-c2ccccc2)c[nH]1 ZINC000068934867 184499031 /nfs/dbraw/zinc/49/90/31/184499031.db2.gz ZEAKOOYIVFJHIT-WTNCMQEWSA-N 0 0 307.353 3.560 50 0 DHAARN COc1cccnc1NC(=O)c1cc2cc(C)ccc2nc1C ZINC000069530901 184523337 /nfs/dbraw/zinc/52/33/37/184523337.db2.gz NNASMHGWOZZRCT-UHFFFAOYSA-N 0 0 307.353 3.508 50 0 DHAARN Cn1c(CN2CCCc3cccc(F)c32)nnc1-c1ccccc1 ZINC000157451050 197188116 /nfs/dbraw/zinc/18/81/16/197188116.db2.gz UAKASGVQCHJKJN-UHFFFAOYSA-N 0 0 322.387 3.574 50 0 DHAARN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000154074895 196936900 /nfs/dbraw/zinc/93/69/00/196936900.db2.gz SJFSXHFRFWRLQA-HUUCEWRRSA-N 0 0 320.348 3.773 50 0 DHAARN CCOc1ccccc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000002624592 256515254 /nfs/dbraw/zinc/51/52/54/256515254.db2.gz FHLFRGJCKGCLDM-UHFFFAOYSA-N 0 0 311.381 3.592 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1C ZINC000000471001 256512974 /nfs/dbraw/zinc/51/29/74/256512974.db2.gz WHSDJCMKMFKPHC-CQSZACIVSA-N 0 0 310.397 3.776 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)c2c(C)cc(C)cc2C)c1 ZINC000008314379 256522730 /nfs/dbraw/zinc/52/27/30/256522730.db2.gz FBNALCPYAWPKAP-UHFFFAOYSA-N 0 0 311.381 3.959 50 0 DHAARN CCc1cccc2c(C(=O)C(=O)Nc3ccccc3OC)c[nH]c21 ZINC000016489584 256526992 /nfs/dbraw/zinc/52/69/92/256526992.db2.gz WBFINHWDJMWKPF-UHFFFAOYSA-N 0 0 322.364 3.560 50 0 DHAARN COc1cc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)ccc1C ZINC000022135323 256530219 /nfs/dbraw/zinc/53/02/19/256530219.db2.gz PZIZQPNXTVMESX-UHFFFAOYSA-N 0 0 300.383 3.585 50 0 DHAARN O=C(NCc1ccc(F)cc1)n1ncc2cc(Cl)ccc21 ZINC000064662513 256541066 /nfs/dbraw/zinc/54/10/66/256541066.db2.gz OYXAERLUQTWOKF-UHFFFAOYSA-N 0 0 303.724 3.587 50 0 DHAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC21OCCO1 ZINC000105364335 256581210 /nfs/dbraw/zinc/58/12/10/256581210.db2.gz TWYONAIDRKGWBX-HCXYKTFWSA-N 0 0 314.425 3.991 50 0 DHAARN Cc1ncc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)s1 ZINC000177625900 256590485 /nfs/dbraw/zinc/59/04/85/256590485.db2.gz MWTKIMWQVALDIW-UHFFFAOYSA-N 0 0 324.365 3.612 50 0 DHAARN Cc1csc2c1ncnc2Oc1ccc2ccc(=O)oc2c1 ZINC000189966444 256591660 /nfs/dbraw/zinc/59/16/60/256591660.db2.gz JIHZZTAQGUCTPR-UHFFFAOYSA-N 0 0 310.334 3.898 50 0 DHAARN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cnc2ccccc2n1 ZINC000247754798 256608597 /nfs/dbraw/zinc/60/85/97/256608597.db2.gz WRIPPLRUEWGQPL-SOUVJXGZSA-N 0 0 309.413 3.719 50 0 DHAARN FC(F)(F)c1nnc(CN2CCC[C@H]2c2cccs2)s1 ZINC000516929578 257234993 /nfs/dbraw/zinc/23/49/93/257234993.db2.gz GROXOGDTEXSAQB-QMMMGPOBSA-N 0 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DHAARN C[C@H](NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 ZINC000000146298 563223787 /nfs/dbraw/zinc/22/37/87/563223787.db2.gz DITUNVVCHPBJKX-LBPRGKRZSA-N 0 0 311.410 3.532 50 0 DHAARN CC(=O)c1cccc(NC(=O)COc2c(C)ccc(C)c2C)c1 ZINC000000144597 563224087 /nfs/dbraw/zinc/22/40/87/563224087.db2.gz MHJLQDMSVIWJCE-UHFFFAOYSA-N 0 0 311.381 3.832 50 0 DHAARN CCCc1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000150285 563224626 /nfs/dbraw/zinc/22/46/26/563224626.db2.gz QTGBAVCQZBOBTC-UHFFFAOYSA-N 0 0 308.333 3.965 50 0 DHAARN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C ZINC000000152674 563225180 /nfs/dbraw/zinc/22/51/80/563225180.db2.gz QAXNAJVOOVNXBM-UHFFFAOYSA-N 0 0 322.430 3.698 50 0 DHAARN Cc1ccc(Nc2cc(-c3ccccc3)nc3ncnn32)cc1 ZINC000000158922 563225638 /nfs/dbraw/zinc/22/56/38/563225638.db2.gz OCGWVNBBWPTEOM-UHFFFAOYSA-N 0 0 301.353 3.843 50 0 DHAARN c1cc2n(c1)[C@@H](c1ccc3c(c1)OCCO3)Nc1ccccc1-2 ZINC000000158226 563225813 /nfs/dbraw/zinc/22/58/13/563225813.db2.gz JTYHEIYSAAIMGZ-IBGZPJMESA-N 0 0 304.349 3.899 50 0 DHAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCO2 ZINC000000168868 563226484 /nfs/dbraw/zinc/22/64/84/563226484.db2.gz SDRUOUIXFXYLNL-UHFFFAOYSA-N 0 0 307.271 3.893 50 0 DHAARN FC(F)(F)c1cc(-c2nccs2)nc2cc(C3CC3)nn21 ZINC000000171355 563227015 /nfs/dbraw/zinc/22/70/15/563227015.db2.gz OIPZBVHEMZXGJP-UHFFFAOYSA-N 0 0 310.304 3.749 50 0 DHAARN O=C(Cc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000000173075 563228167 /nfs/dbraw/zinc/22/81/67/563228167.db2.gz URXUCBDXEYMXED-UHFFFAOYSA-N 0 0 302.377 3.854 50 0 DHAARN O=c1oc(-c2ccc(F)cc2)nc2ccc(Br)cc12 ZINC000000182083 563228432 /nfs/dbraw/zinc/22/84/32/563228432.db2.gz OTJAUTNFYVXKAC-UHFFFAOYSA-N 0 0 320.117 3.757 50 0 DHAARN O=C(NCc1ccco1)C1c2ccccc2Oc2ccccc21 ZINC000000182634 563228601 /nfs/dbraw/zinc/22/86/01/563228601.db2.gz WUVVBFXXIYVICI-UHFFFAOYSA-N 0 0 305.333 3.834 50 0 aggregator DHAARN Cc1nnc(SCC(=O)n2c(C)c(C)c3ccccc32)s1 ZINC000000199109 563229740 /nfs/dbraw/zinc/22/97/40/563229740.db2.gz ZLELOAZHKZXXOC-UHFFFAOYSA-N 0 0 317.439 3.851 50 0 DHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000000197156 563229820 /nfs/dbraw/zinc/22/98/20/563229820.db2.gz JMFUVLIHTGKROE-UHFFFAOYSA-N 0 0 312.369 3.629 50 0 DHAARN CC1(C)Cc2nc(NC(=O)c3ccccc3F)sc2C(=O)C1 ZINC000000204286 563230257 /nfs/dbraw/zinc/23/02/57/563230257.db2.gz FODASSOVHRKQKN-UHFFFAOYSA-N 0 0 318.373 3.690 50 0 DHAARN Clc1ccccc1-c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000000205006 563230395 /nfs/dbraw/zinc/23/03/95/563230395.db2.gz KXGQBUMNCIRMHK-UHFFFAOYSA-N 0 0 300.701 3.786 50 0 DHAARN FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccco2)n1 ZINC000000213262 563230884 /nfs/dbraw/zinc/23/08/84/563230884.db2.gz RXXPQZUYIODPCX-UHFFFAOYSA-N 0 0 309.247 3.961 50 0 DHAARN COc1ccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1 ZINC000000222891 563231437 /nfs/dbraw/zinc/23/14/37/563231437.db2.gz PXRLUNQPPGRWBL-QZTJIDSGSA-N 0 0 320.396 3.741 50 0 DHAARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000000242917 563232698 /nfs/dbraw/zinc/23/26/98/563232698.db2.gz JVURBSSYSNSYBF-QGZVFWFLSA-N 0 0 324.424 3.908 50 0 DHAARN COc1cc(C=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000000244364 563232802 /nfs/dbraw/zinc/23/28/02/563232802.db2.gz JKAULLJEEFTWGP-UHFFFAOYSA-N 0 0 306.317 3.880 50 0 biogenic DHAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000000244476 563232837 /nfs/dbraw/zinc/23/28/37/563232837.db2.gz LTEDSZDMSJSGDM-UHFFFAOYSA-N 0 0 311.410 3.911 50 0 DHAARN COc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000000245306 563233556 /nfs/dbraw/zinc/23/35/56/563233556.db2.gz HSMKNUGVDJXPTH-UHFFFAOYSA-N 0 0 322.147 3.803 50 0 DHAARN CCOc1ccc(C(=O)N2CCc3ccccc32)cc1OCC ZINC000000265950 563234554 /nfs/dbraw/zinc/23/45/54/563234554.db2.gz WYVXVGVGQCQVKZ-UHFFFAOYSA-N 0 0 311.381 3.687 50 0 DHAARN O=C(Nc1ccccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000000275079 563235510 /nfs/dbraw/zinc/23/55/10/563235510.db2.gz NQSLWKOURQXKQL-UHFFFAOYSA-N 0 0 315.804 3.694 50 0 DHAARN Cc1c(OC(=O)c2ccco2)cccc1OC(=O)c1ccco1 ZINC000000285431 563235842 /nfs/dbraw/zinc/23/58/42/563235842.db2.gz CTOOANFQHTVETK-UHFFFAOYSA-N 0 0 312.277 3.619 50 0 DHAARN COc1ccc(CC(=O)Nc2ccccc2Br)cc1 ZINC000000293361 563236491 /nfs/dbraw/zinc/23/64/91/563236491.db2.gz WGFWJHNDLZCBLB-UHFFFAOYSA-N 0 0 320.186 3.639 50 0 DHAARN Clc1ccc(Cn2nnc(-c3ccccc3)n2)c(Cl)c1 ZINC000000289544 563236617 /nfs/dbraw/zinc/23/66/17/563236617.db2.gz HACRETJMEYQVIK-UHFFFAOYSA-N 0 0 305.168 3.695 50 0 DHAARN CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000298373 563237374 /nfs/dbraw/zinc/23/73/74/563237374.db2.gz GOUIPNRTUDVRKG-UHFFFAOYSA-N 0 0 317.410 3.615 50 0 DHAARN O=C1C[C@@H](c2ccccc2)c2cc(Br)ccc2O1 ZINC000000312908 563239672 /nfs/dbraw/zinc/23/96/72/563239672.db2.gz KFKFQGCDFMGUCH-LBPRGKRZSA-N 0 0 303.155 3.890 50 0 DHAARN CSc1nc2sc3c(c2c(=O)n1C)CC[C@H](C(C)(C)C)C3 ZINC000000315143 563240144 /nfs/dbraw/zinc/24/01/44/563240144.db2.gz MZNPATVWMFZSHC-VIFPVBQESA-N 0 0 322.499 3.868 50 0 DHAARN Cc1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000000315950 563240164 /nfs/dbraw/zinc/24/01/64/563240164.db2.gz PXUKJYQIYPKENN-SNVBAGLBSA-N 0 0 300.431 3.798 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000318040 563240691 /nfs/dbraw/zinc/24/06/91/563240691.db2.gz BKHOZTACONAJEC-PABFRNLHSA-N 0 0 323.392 3.566 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)COc1cc(C)ccc1C ZINC000000317084 563240878 /nfs/dbraw/zinc/24/08/78/563240878.db2.gz ULPWRVOEDQLQPQ-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN CC(C)(C)OC(=O)N1c2cscc2-c2cccnc2[C@@H]1O ZINC000000334522 563241413 /nfs/dbraw/zinc/24/14/13/563241413.db2.gz JCOYKPQFGPDJPY-ZDUSSCGKSA-N 0 0 304.371 3.556 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](OC)c1ccccc1 ZINC000000328831 563241471 /nfs/dbraw/zinc/24/14/71/563241471.db2.gz DTVUHKBSONUYRD-HNNXBMFYSA-N 0 0 305.761 3.675 50 0 DHAARN CC(C)CC(=O)NC(=S)Nc1nc(-c2ccccc2)cs1 ZINC000000342016 563242172 /nfs/dbraw/zinc/24/21/72/563242172.db2.gz UMLUJZSVOCVBGC-UHFFFAOYSA-N 0 0 319.455 3.669 50 0 DHAARN CCOc1cccc(C(=O)NC(=S)Nc2ccccc2C)c1 ZINC000000361183 563244640 /nfs/dbraw/zinc/24/46/40/563244640.db2.gz SMNQEUXIOUMLPB-UHFFFAOYSA-N 0 0 314.410 3.521 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)CCCc1ccccc1 ZINC000000363478 563245337 /nfs/dbraw/zinc/24/53/37/563245337.db2.gz UFNFCLGKFGNQRF-UHFFFAOYSA-N 0 0 311.381 3.825 50 0 DHAARN Cc1ccc(C)c(OC(=O)c2cncc(Br)c2)c1 ZINC000000364195 563245425 /nfs/dbraw/zinc/24/54/25/563245425.db2.gz RIVARAJWNMHUSV-UHFFFAOYSA-N 0 0 306.159 3.680 50 0 DHAARN Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000000364797 563245749 /nfs/dbraw/zinc/24/57/49/563245749.db2.gz CWLINTWAQYPVBU-GOSISDBHSA-N 0 0 309.409 3.876 50 0 DHAARN COc1ccc(NC(=O)Cc2c(F)cccc2Cl)c(OC)c1 ZINC000000367299 563245821 /nfs/dbraw/zinc/24/58/21/563245821.db2.gz JYDCVABDMDDBJW-UHFFFAOYSA-N 0 0 323.751 3.678 50 0 DHAARN CC[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000000367800 563246519 /nfs/dbraw/zinc/24/65/19/563246519.db2.gz ONXHMNSDLHHERY-NSHDSACASA-N 0 0 302.399 3.985 50 0 DHAARN COc1ccccc1C(=O)Nc1ccccc1Br ZINC000000369216 563246541 /nfs/dbraw/zinc/24/65/41/563246541.db2.gz XABOPWLLUPOIPN-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN Cc1cc(OCC(=O)Nc2ccc(O)cc2)cc(C)c1Cl ZINC000000367810 563246596 /nfs/dbraw/zinc/24/65/96/563246596.db2.gz WVVYXJMYHPJNIC-UHFFFAOYSA-N 0 0 305.761 3.680 50 0 DHAARN Fc1cccc(-c2nn3c(nnc3-c3cccc(F)c3)s2)c1 ZINC000000385562 563248915 /nfs/dbraw/zinc/24/89/15/563248915.db2.gz RVDXQFSGNJBMEC-UHFFFAOYSA-N 0 0 314.320 3.798 50 0 DHAARN Cc1cccc(OCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000000386399 563249148 /nfs/dbraw/zinc/24/91/48/563249148.db2.gz JAZOLBKBGZGFBG-UHFFFAOYSA-N 0 0 307.296 3.614 50 0 DHAARN CCc1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000000386387 563249223 /nfs/dbraw/zinc/24/92/23/563249223.db2.gz MGIVVJMJCKCAQD-UHFFFAOYSA-N 0 0 321.323 3.868 50 0 DHAARN O=C(CN1CCCc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000000395802 563249856 /nfs/dbraw/zinc/24/98/56/563249856.db2.gz NUAPVKZMLVNDFM-UHFFFAOYSA-N 0 0 318.779 3.870 50 0 DHAARN CCOC(=O)[C@H]1Oc2ccc(F)cc2Sc2ccccc21 ZINC000000395778 563249879 /nfs/dbraw/zinc/24/98/79/563249879.db2.gz KMQLRBFFWSHXJB-HNNXBMFYSA-N 0 0 304.342 3.974 50 0 DHAARN Brc1cccc(-c2cccc(Br)n2)n1 ZINC000000403337 563251589 /nfs/dbraw/zinc/25/15/89/563251589.db2.gz WZVWSOXTTOJQQQ-UHFFFAOYSA-N 0 0 313.980 3.669 50 0 DHAARN O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccco1 ZINC000000412005 563252051 /nfs/dbraw/zinc/25/20/51/563252051.db2.gz JYXBQYVPLWOROB-UHFFFAOYSA-N 0 0 312.350 3.846 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000000423663 563252744 /nfs/dbraw/zinc/25/27/44/563252744.db2.gz STANMLJCQCTEQM-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN COc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1 ZINC000000423634 563252899 /nfs/dbraw/zinc/25/28/99/563252899.db2.gz COVRVPALEIFEAS-UHFFFAOYSA-N 0 0 308.337 3.627 50 0 DHAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)cc1 ZINC000000441459 563253991 /nfs/dbraw/zinc/25/39/91/563253991.db2.gz QLKJIRVHQRVPEV-IBGZPJMESA-N 0 0 308.381 3.701 50 0 DHAARN Cc1cccnc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000000450471 563256228 /nfs/dbraw/zinc/25/62/28/563256228.db2.gz AASDIRFQUHOTAY-UHFFFAOYSA-N 0 0 321.405 3.670 50 0 DHAARN Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000000452198 563256859 /nfs/dbraw/zinc/25/68/59/563256859.db2.gz LCLKVONZSJXNNL-SNVBAGLBSA-N 0 0 322.257 3.865 50 0 DHAARN COc1ccc2oc(=O)c(C(=O)Nc3cc(C)ccc3C)cc2c1 ZINC000000454470 563257398 /nfs/dbraw/zinc/25/73/98/563257398.db2.gz GTHAJTXUUFJADY-UHFFFAOYSA-N 0 0 323.348 3.671 50 0 DHAARN CCCN1C(=O)c2ccc(-c3nc4ccccc4s3)cc2C1=O ZINC000000461050 563258492 /nfs/dbraw/zinc/25/84/92/563258492.db2.gz BZRSFBQDSZXZGJ-UHFFFAOYSA-N 0 0 322.389 3.969 50 0 DHAARN C/C(=C\c1ccccc1)C(=O)Nc1nnc(CC(C)C)s1 ZINC000000463076 563258929 /nfs/dbraw/zinc/25/89/29/563258929.db2.gz XNFLCZQMLDZMJR-ZRDIBKRKSA-N 0 0 301.415 3.779 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)/C(C)=C/c1ccccc1 ZINC000000464405 563259355 /nfs/dbraw/zinc/25/93/55/563259355.db2.gz FMDFJWWTXOACBE-BUHFOSPRSA-N 0 0 309.365 3.905 50 0 DHAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCO1 ZINC000000467441 563259404 /nfs/dbraw/zinc/25/94/04/563259404.db2.gz FTCRAAUOPMIEPT-INIZCTEOSA-N 0 0 308.337 3.612 50 0 DHAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccco1 ZINC000000464771 563259646 /nfs/dbraw/zinc/25/96/46/563259646.db2.gz SKLSMOLPCPHRKI-NSHDSACASA-N 0 0 302.399 3.920 50 0 DHAARN CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)nc(C)n3C)cc1 ZINC000000469791 563259945 /nfs/dbraw/zinc/25/99/45/563259945.db2.gz BCTGPMSUDBJAPD-UHFFFAOYSA-N 0 0 322.368 3.728 50 0 DHAARN Cc1cccc(-n2ncc3c2ncnc3NCc2cccs2)c1 ZINC000000467845 563260065 /nfs/dbraw/zinc/26/00/65/563260065.db2.gz BFSBRCXTSOQXCA-UHFFFAOYSA-N 0 0 321.409 3.798 50 0 DHAARN Cc1cc(C)c(C)c(OCC(=O)N2CCCc3ccccc32)c1 ZINC000000469630 563260181 /nfs/dbraw/zinc/26/01/81/563260181.db2.gz XJRWXQKLFWXCCB-UHFFFAOYSA-N 0 0 309.409 3.970 50 0 DHAARN Fc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000000468625 563260263 /nfs/dbraw/zinc/26/02/63/563260263.db2.gz MDVDHTILCWAXOB-UHFFFAOYSA-N 0 0 305.316 3.698 50 0 DHAARN COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000000470222 563260593 /nfs/dbraw/zinc/26/05/93/563260593.db2.gz JGGSPBYYYDTWKP-UHFFFAOYSA-N 0 0 319.426 3.928 50 0 DHAARN CCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(C)cc1 ZINC000000471945 563260598 /nfs/dbraw/zinc/26/05/98/563260598.db2.gz ATBCQBMACKOXDJ-UHFFFAOYSA-N 0 0 310.397 3.915 50 0 DHAARN CC(=O)Nc1cccc(OCc2ccc(Br)cc2)c1 ZINC000000471806 563260619 /nfs/dbraw/zinc/26/06/19/563260619.db2.gz GALGCDRXRFDUOY-UHFFFAOYSA-N 0 0 320.186 3.987 50 0 DHAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1F ZINC000000473355 563261306 /nfs/dbraw/zinc/26/13/06/563261306.db2.gz SENQAXPNFGWOPN-QHHAFSJGSA-N 0 0 319.719 3.860 50 0 DHAARN COc1ccc(/C=C/C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000000475007 563261609 /nfs/dbraw/zinc/26/16/09/563261609.db2.gz YFZIZOYRHIMVDX-STTHAQSSSA-N 0 0 309.409 3.846 50 0 DHAARN CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(C)n1 ZINC000000498688 563263605 /nfs/dbraw/zinc/26/36/05/563263605.db2.gz OQOAWNPZOLBQSW-UHFFFAOYSA-N 0 0 311.341 3.514 50 0 DHAARN Cc1cc(Br)ccc1NC(=O)Cc1ccccc1 ZINC000000514205 563264122 /nfs/dbraw/zinc/26/41/22/563264122.db2.gz ARNPTJUHQAEFGG-UHFFFAOYSA-N 0 0 304.187 3.939 50 0 DHAARN Cc1nc(NC(=O)c2cccc(F)c2)ccc1Br ZINC000000515035 563264359 /nfs/dbraw/zinc/26/43/59/563264359.db2.gz IQIMHFDEWYZLGQ-UHFFFAOYSA-N 0 0 309.138 3.544 50 0 DHAARN CCn1c2ccccc2nc1NCc1ccc(OC)cc1OC ZINC000000529898 563264740 /nfs/dbraw/zinc/26/47/40/563264740.db2.gz QQGBTOQQXKTXSR-UHFFFAOYSA-N 0 0 311.385 3.686 50 0 DHAARN Cc1cccc(OCC(=O)Nc2cccc3cccnc32)c1C ZINC000000528621 563264879 /nfs/dbraw/zinc/26/48/79/563264879.db2.gz MLZRCBNKZQWEIF-UHFFFAOYSA-N 0 0 306.365 3.869 50 0 DHAARN Cc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1 ZINC000000533367 563265641 /nfs/dbraw/zinc/26/56/41/563265641.db2.gz SSGAWRZPVWUMQJ-UHFFFAOYSA-N 0 0 322.393 3.740 50 0 DHAARN COc1cccc(-c2nnc3sc(-c4ccccc4C)nn32)c1 ZINC000000531414 563265663 /nfs/dbraw/zinc/26/56/63/563265663.db2.gz RKUUXXVHFUWEAB-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000000572732 563267808 /nfs/dbraw/zinc/26/78/08/563267808.db2.gz KHEHSODCLBXGLU-HNNXBMFYSA-N 0 0 321.424 3.980 50 0 DHAARN S=C(NCCC1=CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000000610132 563268707 /nfs/dbraw/zinc/26/87/07/563268707.db2.gz BNBIXPPIJQUWNN-UHFFFAOYSA-N 0 0 304.415 3.592 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc(F)cc1 ZINC000000611013 563268964 /nfs/dbraw/zinc/26/89/64/563268964.db2.gz XKWGYSOSZUIBEK-UHFFFAOYSA-N 0 0 302.305 3.646 50 0 DHAARN CC(=O)Nc1ccccc1NC(=O)CSc1ccc(C)cc1 ZINC000000615786 563270021 /nfs/dbraw/zinc/27/00/21/563270021.db2.gz URPCZMFZCQHPKT-UHFFFAOYSA-N 0 0 314.410 3.684 50 0 DHAARN CCOC(=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 ZINC000000619596 563271190 /nfs/dbraw/zinc/27/11/90/563271190.db2.gz CAHKYMOSLSMLER-UHFFFAOYSA-N 0 0 318.373 3.811 50 0 DHAARN COc1ccc(-c2nn(-c3ccc(F)cc3F)cc2C=O)cc1 ZINC000000732174 563271915 /nfs/dbraw/zinc/27/19/15/563271915.db2.gz ZOKSOUREELTRCU-UHFFFAOYSA-N 0 0 314.291 3.639 50 0 DHAARN COc1ccc2c(c1)CCC1C2=NC(=S)N[C@H]1c1ccccc1 ZINC000000758923 563271972 /nfs/dbraw/zinc/27/19/72/563271972.db2.gz WUNLMWPAPGZYOM-KRWDZBQOSA-N 0 0 322.433 3.572 50 0 DHAARN O=C1C[C@H](c2ccc(Cl)cc2)c2cc3c(cc2N1)OCCO3 ZINC000000816169 563272398 /nfs/dbraw/zinc/27/23/98/563272398.db2.gz IQZXFHZMEGSEGE-GFCCVEGCSA-N 0 0 315.756 3.585 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1OC ZINC000000815018 563272465 /nfs/dbraw/zinc/27/24/65/563272465.db2.gz DXRBPXGFRWFDEY-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN O=C(Nc1cccc(O)c1)c1cc(-c2ccccc2Cl)on1 ZINC000000815152 563272560 /nfs/dbraw/zinc/27/25/60/563272560.db2.gz RLEQGNDXARVLLB-UHFFFAOYSA-N 0 0 314.728 3.953 50 0 DHAARN O=C(/C=C/c1ccccc1Cl)NCCc1ccc(F)cc1 ZINC000000860041 563272580 /nfs/dbraw/zinc/27/25/80/563272580.db2.gz GFVHFLKJXPFYRK-JXMROGBWSA-N 0 0 303.764 3.851 50 0 DHAARN CCn1cc(/C=C2/SC(=O)N(CC)C2=O)c2ccccc21 ZINC000000982276 563273639 /nfs/dbraw/zinc/27/36/39/563273639.db2.gz YWPZCTAXGUOBND-NTEUORMPSA-N 0 0 300.383 3.717 50 0 DHAARN CC[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1 ZINC000001002084 563273686 /nfs/dbraw/zinc/27/36/86/563273686.db2.gz CYUSJXLXEGYNOT-HNNXBMFYSA-N 0 0 303.789 3.986 50 0 DHAARN CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000000993402 563273860 /nfs/dbraw/zinc/27/38/60/563273860.db2.gz BNLNVHRZTMRHNS-INIZCTEOSA-N 0 0 323.392 3.516 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1csc(C)c1 ZINC000001053392 563275664 /nfs/dbraw/zinc/27/56/64/563275664.db2.gz OYUZNEOWUQVCRR-UHFFFAOYSA-N 0 0 309.412 3.774 50 0 DHAARN CC[C@@H](C(=O)Nc1nnc(-c2ccncc2)s1)c1ccccc1 ZINC000001053418 563275737 /nfs/dbraw/zinc/27/57/37/563275737.db2.gz AADQDOVXNOIIGA-CQSZACIVSA-N 0 0 324.409 3.732 50 0 DHAARN COc1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1Cl ZINC000001067033 563276626 /nfs/dbraw/zinc/27/66/26/563276626.db2.gz DIDWHNTWDJIBKF-UHFFFAOYSA-N 0 0 319.744 3.526 50 0 DHAARN CCc1ccc([C@H]2Cc3[nH]c(C(=O)OC)c(C)c3C(=O)C2)cc1 ZINC000001069794 563277207 /nfs/dbraw/zinc/27/72/07/563277207.db2.gz OADJEVMHGZYJIU-AWEZNQCLSA-N 0 0 311.381 3.585 50 0 DHAARN Cc1ccc(N(Cc2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000001111235 563277841 /nfs/dbraw/zinc/27/78/41/563277841.db2.gz MAUXEQUQNRTNAS-UHFFFAOYSA-N 0 0 323.845 3.923 50 0 DHAARN O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001204069 563279123 /nfs/dbraw/zinc/27/91/23/563279123.db2.gz JJHSMQQOTRQFAO-UHFFFAOYSA-N 0 0 320.348 3.713 50 0 DHAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccco1 ZINC000001256682 563280599 /nfs/dbraw/zinc/28/05/99/563280599.db2.gz UESZLVKLLGBHJG-UHFFFAOYSA-N 0 0 319.773 3.628 50 0 aggregator DHAARN FC(F)(F)c1ccccc1N1C(=S)N=NC1c1ccco1 ZINC000001262519 563280788 /nfs/dbraw/zinc/28/07/88/563280788.db2.gz YTPBLWHZNQBIEL-UHFFFAOYSA-N 0 0 311.288 3.835 50 0 DHAARN O=C1S[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1 ZINC000001318592 563281653 /nfs/dbraw/zinc/28/16/53/563281653.db2.gz NEUDFFJQFFWAKS-CYBMUJFWSA-N 0 0 318.785 3.978 50 0 DHAARN CCNc1nc(Oc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000001396748 563282024 /nfs/dbraw/zinc/28/20/24/563282024.db2.gz LUNPXWMWSAVMIQ-UHFFFAOYSA-N 0 0 301.243 3.859 50 0 DHAARN CNc1nc(Cl)c(SC)c(NCc2ccc(F)cc2)n1 ZINC000001387580 563282034 /nfs/dbraw/zinc/28/20/34/563282034.db2.gz JGTLHFGSZMIYTA-UHFFFAOYSA-N 0 0 312.801 3.645 50 0 DHAARN COC(=O)c1cc(Sc2ccc(Br)cc2)ccn1 ZINC000001389102 563282053 /nfs/dbraw/zinc/28/20/53/563282053.db2.gz WVOMVKCUJJGJTN-UHFFFAOYSA-N 0 0 324.199 3.782 50 0 DHAARN Cc1ccc(-n2cc(C(=O)c3ccc(F)cc3)nn2)cc1Cl ZINC000001392894 563282081 /nfs/dbraw/zinc/28/20/81/563282081.db2.gz UYQVVTZPGDDAKK-UHFFFAOYSA-N 0 0 315.735 3.599 50 0 DHAARN CCOC(=O)N[C@H](c1cccc(Cl)c1)[C@H]1CCCCC1=O ZINC000001394513 563282159 /nfs/dbraw/zinc/28/21/59/563282159.db2.gz RTBLIWRWSBQCLP-DZGCQCFKSA-N 0 0 309.793 3.887 50 0 DHAARN CCOC(=O)N[C@@H](c1ccccc1F)[C@H]1CCCCCC1=O ZINC000001394469 563282161 /nfs/dbraw/zinc/28/21/61/563282161.db2.gz YKUFZUFGJRFXKK-BBRMVZONSA-N 0 0 307.365 3.762 50 0 DHAARN CCOC(=O)N[C@@H](c1cccc(Cl)c1)[C@H]1CCCCC1=O ZINC000001394512 563282269 /nfs/dbraw/zinc/28/22/69/563282269.db2.gz RTBLIWRWSBQCLP-ZFWWWQNUSA-N 0 0 309.793 3.887 50 0 DHAARN Nc1nc(Nc2cccc(F)c2)sc1C(=O)c1ccccc1 ZINC000001423554 563283401 /nfs/dbraw/zinc/28/34/01/563283401.db2.gz CGDCHWZCEONCMK-UHFFFAOYSA-N 0 0 313.357 3.839 50 0 in-vitro DHAARN CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000001433421 563283411 /nfs/dbraw/zinc/28/34/11/563283411.db2.gz SQJWZSZKXPYXAM-OAHLLOKOSA-N 0 0 319.401 3.519 50 0 DHAARN Cc1ccc(C)c(OCCCn2c(CO)nc3ccccc32)c1 ZINC000001926872 563297223 /nfs/dbraw/zinc/29/72/23/563297223.db2.gz XHQRSTMNBCSWKU-UHFFFAOYSA-N 0 0 310.397 3.615 50 0 DHAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H](C)O ZINC000001926782 563297227 /nfs/dbraw/zinc/29/72/27/563297227.db2.gz GTDKWPLRLQCLDV-HNNXBMFYSA-N 0 0 310.397 3.867 50 0 DHAARN Cc1cc(C)n(C[C@@H](O)Cn2c3ccccc3c3ccccc32)n1 ZINC000002022002 563297777 /nfs/dbraw/zinc/29/77/77/563297777.db2.gz OMHHJCAKLOMROZ-INIZCTEOSA-N 0 0 319.408 3.669 50 0 in-vitro DHAARN COCCCn1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1=S ZINC000002150485 563301022 /nfs/dbraw/zinc/30/10/22/563301022.db2.gz AZJCUZUKSXZWBE-UHFFFAOYSA-N 0 0 317.336 3.663 50 0 DHAARN Cc1cc(Br)cc(C)c1I ZINC000002243464 563302353 /nfs/dbraw/zinc/30/23/53/563302353.db2.gz BSIRLLZFIVAHES-UHFFFAOYSA-N 0 0 310.960 3.671 50 0 DHAARN CCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000002429666 563303577 /nfs/dbraw/zinc/30/35/77/563303577.db2.gz XOQKYOTUPVIEQG-GOSISDBHSA-N 0 0 323.392 3.749 50 0 DHAARN CCOC(=O)c1cccc(C(=O)CCc2ccccc2OC)c1 ZINC000002516451 563306649 /nfs/dbraw/zinc/30/66/49/563306649.db2.gz ITOAAKWHRDFMTP-UHFFFAOYSA-N 0 0 312.365 3.687 50 0 DHAARN C[C@H](CCOCc1ccccc1)CN1C(=O)c2ccccc2C1=O ZINC000002518268 563307397 /nfs/dbraw/zinc/30/73/97/563307397.db2.gz KANPWWMRBFPDHL-OAHLLOKOSA-N 0 0 323.392 3.526 50 0 DHAARN O=C1NC(=S)SC1=Cc1cc(Br)ccc1F ZINC000002536919 563308520 /nfs/dbraw/zinc/30/85/20/563308520.db2.gz IVXRSNQKSXIEOS-XBXARRHUSA-N 0 0 318.192 3.917 50 0 DHAARN COc1ccc(NC(=O)c2c(N)sc3c2CCCCC3)cc1 ZINC000002573415 563309915 /nfs/dbraw/zinc/30/99/15/563309915.db2.gz CVFBZVNJMLHCFS-UHFFFAOYSA-N 0 0 316.426 3.860 50 0 DHAARN C=C(P1(=O)OCC(C)(C)CO1)P1(=O)OCC(C)(C)CO1 ZINC000002570451 563309944 /nfs/dbraw/zinc/30/99/44/563309944.db2.gz LGIZYDYQFZYDKD-UHFFFAOYSA-N 0 0 324.250 3.990 50 0 DHAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1Cl ZINC000002616538 563311382 /nfs/dbraw/zinc/31/13/82/563311382.db2.gz GIKHBEWYOHMTJG-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN CCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000002741549 563311616 /nfs/dbraw/zinc/31/16/16/563311616.db2.gz ZBGYIWTVFVZYSR-NSHDSACASA-N 0 0 322.474 3.881 50 0 DHAARN O=C(CCc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002741805 563311752 /nfs/dbraw/zinc/31/17/52/563311752.db2.gz XKGHBLQDZXPFBQ-UHFFFAOYSA-N 0 0 315.241 3.953 50 0 DHAARN Cc1ccc(CC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 ZINC000002734964 563311907 /nfs/dbraw/zinc/31/19/07/563311907.db2.gz ZZAUZEGVAOGONM-UHFFFAOYSA-N 0 0 323.421 3.619 50 0 DHAARN COc1cc(NC(=O)CCCOc2ccccc2)cc(OC)c1 ZINC000002856904 563314906 /nfs/dbraw/zinc/31/49/06/563314906.db2.gz OMAZSDWBIJMBGA-UHFFFAOYSA-N 0 0 315.369 3.502 50 0 DHAARN CC(C)OCCCNC(=O)CCSc1ccc(Cl)cc1 ZINC000002853576 563315077 /nfs/dbraw/zinc/31/50/77/563315077.db2.gz DUFVWAOQDVVBND-UHFFFAOYSA-N 0 0 315.866 3.754 50 0 DHAARN O=c1c2ccccc2ncn1CCCOc1ccccc1Cl ZINC000002862868 563315525 /nfs/dbraw/zinc/31/55/25/563315525.db2.gz IAECBGQTWPUSDK-UHFFFAOYSA-N 0 0 314.772 3.519 50 0 DHAARN C[C@]1(C(=O)NCCc2ccc(Cl)cc2)CC1(Cl)Cl ZINC000002876682 563316009 /nfs/dbraw/zinc/31/60/09/563316009.db2.gz JNTGQMZVYRQNPW-GFCCVEGCSA-N 0 0 306.620 3.583 50 0 DHAARN Cn1c2ccccc2c2nnc(SCCc3ccccc3)nc21 ZINC000002871885 563316022 /nfs/dbraw/zinc/31/60/22/563316022.db2.gz MISCLQUVPAQFLO-UHFFFAOYSA-N 0 0 320.421 3.851 50 0 DHAARN COc1cc(C=O)ccc1OCCCOc1cc(C)ccc1C ZINC000002937496 563317957 /nfs/dbraw/zinc/31/79/57/563317957.db2.gz CNSMKECTWYGRHN-UHFFFAOYSA-N 0 0 314.381 3.972 50 0 DHAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2O)c1 ZINC000002987995 563320051 /nfs/dbraw/zinc/32/00/51/563320051.db2.gz ANMJFFPKIIINCY-UHFFFAOYSA-N 0 0 313.397 3.633 50 0 DHAARN CC1(C)Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc2O1 ZINC000002997775 563320358 /nfs/dbraw/zinc/32/03/58/563320358.db2.gz GYYFZNMJGKKGBU-UHFFFAOYSA-N 0 0 301.317 3.514 50 0 DHAARN CCCC[C@H](CC)CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000003069678 563320943 /nfs/dbraw/zinc/32/09/43/563320943.db2.gz AKAURMWIUDFUKN-ZDUSSCGKSA-N 0 0 323.433 3.659 50 0 DHAARN CCOC(=O)c1cnc2c(Br)cccc2c1Cl ZINC000003118792 563321957 /nfs/dbraw/zinc/32/19/57/563321957.db2.gz MLHAFVCMBUQWKC-UHFFFAOYSA-N 0 0 314.566 3.827 50 0 DHAARN CCCCC1(CCCC)NC(=S)N(Nc2ccccc2)C1=O ZINC000003211015 563323898 /nfs/dbraw/zinc/32/38/98/563323898.db2.gz LWALDMBZZDQNEW-UHFFFAOYSA-N 0 0 319.474 3.849 50 0 DHAARN Cc1ccccc1[C@H]1CCc2nc(C(=O)N3CCCCC3)cn2C1 ZINC000034898583 563324949 /nfs/dbraw/zinc/32/49/49/563324949.db2.gz CDCYGBCZKBEJOO-INIZCTEOSA-N 0 0 323.440 3.548 50 0 DHAARN CCCNC(=O)C(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000004622684 563327620 /nfs/dbraw/zinc/32/76/20/563327620.db2.gz ZJXCHMWHUVTGGQ-UHFFFAOYSA-N 0 0 320.392 3.554 50 0 DHAARN CCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004857207 563328449 /nfs/dbraw/zinc/32/84/49/563328449.db2.gz CHANTDFJXUDYSH-UHFFFAOYSA-N 0 0 308.381 3.628 50 0 DHAARN Cc1cccnc1[C@@H](NC(=O)N[C@H](C)c1nccs1)C(C)C ZINC000071909203 563332919 /nfs/dbraw/zinc/33/29/19/563332919.db2.gz LEOLYXGGTQYLNM-OLZOCXBDSA-N 0 0 318.446 3.604 50 0 DHAARN O=C(NCc1cccc(OC(F)(F)F)c1)c1cccs1 ZINC000002571152 563335945 /nfs/dbraw/zinc/33/59/45/563335945.db2.gz KNYYSYLXYZHPLX-UHFFFAOYSA-N 0 0 301.289 3.577 50 0 DHAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000007167952 563336404 /nfs/dbraw/zinc/33/64/04/563336404.db2.gz BSBWUIICFAFLPV-SECBINFHSA-N 0 0 311.168 3.794 50 0 DHAARN O=C(c1cccnc1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372135 563336777 /nfs/dbraw/zinc/33/67/77/563336777.db2.gz VIEXYSTWTOICPZ-CQSZACIVSA-N 0 0 320.314 3.730 50 0 DHAARN Cc1nc(SCC(=O)c2c[nH]c3ccccc23)nc(C)c1C ZINC000002616387 563336788 /nfs/dbraw/zinc/33/67/88/563336788.db2.gz LUZFDQXKTMEOCB-UHFFFAOYSA-N 0 0 311.410 3.858 50 0 DHAARN O=C(Nc1cccc(Br)c1)c1cc(F)cc(F)c1 ZINC000007609551 563340068 /nfs/dbraw/zinc/34/00/68/563340068.db2.gz WVPVAKGLBWIMHB-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN CCO[C@@H](C)c1noc(CN(Cc2ccccc2)C(C)C)n1 ZINC000071914902 563342175 /nfs/dbraw/zinc/34/21/75/563342175.db2.gz IATVFPCRYDIYKY-AWEZNQCLSA-N 0 0 303.406 3.578 50 0 DHAARN O=C(CN1CCc2ccccc2C1)Nc1ccc2ccccc2c1 ZINC000007782801 563342463 /nfs/dbraw/zinc/34/24/63/563342463.db2.gz LAFHIENWUHHVQZ-UHFFFAOYSA-N 0 0 316.404 3.837 50 0 DHAARN COc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000002797068 563342635 /nfs/dbraw/zinc/34/26/35/563342635.db2.gz JQXLCQQTGZVJFF-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN O=C(Nc1cc(F)ccc1F)c1cc(-c2cccs2)on1 ZINC000002802692 563342773 /nfs/dbraw/zinc/34/27/73/563342773.db2.gz OWDGZXKEOITORT-UHFFFAOYSA-N 0 0 306.293 3.934 50 0 DHAARN O=C(CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1F ZINC000002809633 563343124 /nfs/dbraw/zinc/34/31/24/563343124.db2.gz UEQCWZYKKSBHSP-UHFFFAOYSA-N 0 0 322.292 3.583 50 0 DHAARN O=C(NC1CCCCC1)c1cc(F)ccc1Br ZINC000007916605 563343202 /nfs/dbraw/zinc/34/32/02/563343202.db2.gz MAFOWVQMXBGYAE-UHFFFAOYSA-N 0 0 300.171 3.651 50 0 DHAARN COc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 ZINC000002838864 563343312 /nfs/dbraw/zinc/34/33/12/563343312.db2.gz ROTNBSQJGGTOEF-UHFFFAOYSA-N 0 0 310.353 3.757 50 0 DHAARN CC(C)CNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000008188889 563344603 /nfs/dbraw/zinc/34/46/03/563344603.db2.gz CDSLFJJFFPEECL-UHFFFAOYSA-N 0 0 324.424 3.644 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000008160478 563344677 /nfs/dbraw/zinc/34/46/77/563344677.db2.gz JIFAMRMBGYJFJS-GOSISDBHSA-N 0 0 311.381 3.805 50 0 DHAARN CCCCNc1ncnc2c1c(C)c(C)n2Cc1ccncc1 ZINC000008991185 563351479 /nfs/dbraw/zinc/35/14/79/563351479.db2.gz XCOILUZIICLNFV-UHFFFAOYSA-N 0 0 309.417 3.703 50 0 DHAARN O=C(Nc1nnc(CCc2ccccc2)s1)c1cccs1 ZINC000009288098 563353104 /nfs/dbraw/zinc/35/31/04/563353104.db2.gz RVOADIDYZQITCL-UHFFFAOYSA-N 0 0 315.423 3.637 50 0 aggregator DHAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OC ZINC000009350001 563353591 /nfs/dbraw/zinc/35/35/91/563353591.db2.gz CNLTZYFJODCGKV-UHFFFAOYSA-N 0 0 315.398 3.785 50 0 DHAARN COc1ccccc1OCCNC(=O)Nc1cc(C)cc(C)c1 ZINC000009875193 563354487 /nfs/dbraw/zinc/35/44/87/563354487.db2.gz NSXYUBRVBWXOBS-UHFFFAOYSA-N 0 0 314.385 3.513 50 0 DHAARN CCOc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000009816435 563354638 /nfs/dbraw/zinc/35/46/38/563354638.db2.gz FOLANRRIJWHCIS-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN CC(C)CN1C(=O)S[C@@H](Nc2ccc(F)c(Cl)c2)C1=O ZINC000010152110 563355406 /nfs/dbraw/zinc/35/54/06/563355406.db2.gz CGEYWOMNRSWZPK-LLVKDONJSA-N 0 0 316.785 3.569 50 0 DHAARN Cc1ccc(-c2nn3c(nnc3-c3ccccn3)s2)cc1C ZINC000010312367 563356321 /nfs/dbraw/zinc/35/63/21/563356321.db2.gz IICDTAUEPIGBPJ-UHFFFAOYSA-N 0 0 307.382 3.532 50 0 DHAARN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010543898 563357258 /nfs/dbraw/zinc/35/72/58/563357258.db2.gz GKJAVDRQVGCCHR-CYBMUJFWSA-N 0 0 323.845 3.996 50 0 DHAARN Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1 ZINC000003074634 563358282 /nfs/dbraw/zinc/35/82/82/563358282.db2.gz MMNSOGNAJWSEGI-UHFFFAOYSA-N 0 0 309.394 3.669 50 0 DHAARN COc1ccc(O[C@H](C)C(=O)Nc2cccc(SC)c2)cc1 ZINC000011610838 563358525 /nfs/dbraw/zinc/35/85/25/563358525.db2.gz PKQMPSDELLRPJX-GFCCVEGCSA-N 0 0 317.410 3.823 50 0 DHAARN CCCC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011813338 563359250 /nfs/dbraw/zinc/35/92/50/563359250.db2.gz QTOVTNZCMIHRFA-INIZCTEOSA-N 0 0 317.429 3.695 50 0 DHAARN CC[C@H](C)CC(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000011786329 563359255 /nfs/dbraw/zinc/35/92/55/563359255.db2.gz MHMXGGWKJSLKOG-WMLDXEAASA-N 0 0 324.424 3.605 50 0 DHAARN O=C(N1CCC[C@H](Nc2ccccc2)C1)C1(c2ccccc2)CC1 ZINC000011820999 563360051 /nfs/dbraw/zinc/36/00/51/563360051.db2.gz OORDYZWXWAYKDV-IBGZPJMESA-N 0 0 320.436 3.821 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCC1)OCc1ccccc1 ZINC000012136960 563362546 /nfs/dbraw/zinc/36/25/46/563362546.db2.gz FZJIKZZAGMKFAS-UHFFFAOYSA-N 0 0 324.380 3.671 50 0 DHAARN CC(C)c1nnc(NC(=O)c2csc3c2CCCC3)s1 ZINC000012292957 563365241 /nfs/dbraw/zinc/36/52/41/563365241.db2.gz AEYJVFWALKJZDD-UHFFFAOYSA-N 0 0 307.444 3.854 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 ZINC000012274383 563365295 /nfs/dbraw/zinc/36/52/95/563365295.db2.gz WZIWVWORUKCZDF-UHFFFAOYSA-N 0 0 323.373 3.716 50 0 DHAARN CSc1nccc(CC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000012336373 563366347 /nfs/dbraw/zinc/36/63/47/563366347.db2.gz HNFCWKONSIUEOC-UHFFFAOYSA-N 0 0 313.209 3.931 50 0 DHAARN COc1ccc(O[C@H](C)C(=O)Nc2ccccc2SC)cc1 ZINC000012380935 563367594 /nfs/dbraw/zinc/36/75/94/563367594.db2.gz GEHNYRBEWNJZDV-GFCCVEGCSA-N 0 0 317.410 3.823 50 0 DHAARN COC(=O)c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c21 ZINC000012397166 563368150 /nfs/dbraw/zinc/36/81/50/563368150.db2.gz ARLPCHLXNBOIOV-UHFFFAOYSA-N 0 0 312.300 3.693 50 0 DHAARN Cc1c2c(nn1-c1cccc(C(F)(F)F)c1)c(C)nnc2C ZINC000012406980 563368803 /nfs/dbraw/zinc/36/88/03/563368803.db2.gz DAUDKKRRVXKFEK-UHFFFAOYSA-N 0 0 306.291 3.760 50 0 DHAARN CC(C)c1nnc2n1N1C(=CS[C@H]1c1ccccc1)S2 ZINC000012409075 563368861 /nfs/dbraw/zinc/36/88/61/563368861.db2.gz OWBYCEKHPVYBST-ZDUSSCGKSA-N 0 0 302.428 3.690 50 0 DHAARN O=C(NC1CCCCCC1)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000012409564 563369143 /nfs/dbraw/zinc/36/91/43/563369143.db2.gz JULDIIHJWPLDBF-UHFFFAOYSA-N 0 0 324.384 3.671 50 0 DHAARN CCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000012458870 563370131 /nfs/dbraw/zinc/37/01/31/563370131.db2.gz SUQSZGDGHMGWNM-LJQANCHMSA-N 0 0 323.436 3.846 50 0 DHAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(F)cc(F)c1 ZINC000012801179 563373636 /nfs/dbraw/zinc/37/36/36/563373636.db2.gz WGLSQZQAWGGBOU-UHFFFAOYSA-N 0 0 311.291 3.674 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)NC2CCCCC2)cc1 ZINC000012790003 563373657 /nfs/dbraw/zinc/37/36/57/563373657.db2.gz FZSKNQDGLOMRHV-KRWDZBQOSA-N 0 0 302.418 3.874 50 0 DHAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCC2)cc1 ZINC000012795336 563374152 /nfs/dbraw/zinc/37/41/52/563374152.db2.gz FFKWAWHSFKVYNA-UHFFFAOYSA-N 0 0 322.408 3.664 50 0 DHAARN CCc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000012796359 563374160 /nfs/dbraw/zinc/37/41/60/563374160.db2.gz QQKWMNWEBZCGPI-UHFFFAOYSA-N 0 0 322.408 3.624 50 0 DHAARN Cc1cc(NC(=O)Cc2ccc(C)cc2)n(Cc2ccccc2)n1 ZINC000012797037 563374196 /nfs/dbraw/zinc/37/41/96/563374196.db2.gz XULWETUMHLYHHL-UHFFFAOYSA-N 0 0 319.408 3.729 50 0 DHAARN O=C(NCCSCc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000032667725 563375065 /nfs/dbraw/zinc/37/50/65/563375065.db2.gz MHZOPAREPBLXKI-UHFFFAOYSA-N 0 0 319.470 3.845 50 0 DHAARN CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2)cc1 ZINC000012982208 563376166 /nfs/dbraw/zinc/37/61/66/563376166.db2.gz PRFCCADJJDMQKR-IBGZPJMESA-N 0 0 324.424 3.861 50 0 DHAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000012995274 563376832 /nfs/dbraw/zinc/37/68/32/563376832.db2.gz DUNTUAZWYJDUKI-CYBMUJFWSA-N 0 0 312.369 3.649 50 0 DHAARN Cc1cccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)c1 ZINC000013131389 563378939 /nfs/dbraw/zinc/37/89/39/563378939.db2.gz LVWREOUVEGWRIV-IAGOWNOFSA-N 0 0 308.360 3.872 50 0 aggregator DHAARN CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)Nc1nccs1 ZINC000013326200 563380724 /nfs/dbraw/zinc/38/07/24/563380724.db2.gz ZJPYWOPYVOLESI-LLVKDONJSA-N 0 0 310.806 3.901 50 0 DHAARN CCc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000013328866 563381097 /nfs/dbraw/zinc/38/10/97/563381097.db2.gz FIDOKGRFFPBQDC-JTQLQIEISA-N 0 0 303.383 3.530 50 0 DHAARN Cc1cccc(NC(=S)NCCc2ccc(F)cc2)c1C ZINC000013518963 563382540 /nfs/dbraw/zinc/38/25/40/563382540.db2.gz NTNPMFLRHBRBGW-UHFFFAOYSA-N 0 0 302.418 3.972 50 0 DHAARN O=c1nc(-c2cccnc2)[nH]c2sc(-c3ccccc3)cc21 ZINC000013638406 563384034 /nfs/dbraw/zinc/38/40/34/563384034.db2.gz WSOJFBCHEQPUNS-UHFFFAOYSA-N 0 0 305.362 3.714 50 0 DHAARN COc1ccc(CCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000013647317 563384112 /nfs/dbraw/zinc/38/41/12/563384112.db2.gz QGFJQGPFFQTBNZ-UHFFFAOYSA-N 0 0 303.789 3.711 50 0 DHAARN CCN1C(=S)N=NC1c1cc(-c2ccccc2)sc1N ZINC000013658529 563384189 /nfs/dbraw/zinc/38/41/89/563384189.db2.gz CRLHQUMKMCJTHC-UHFFFAOYSA-N 0 0 302.428 3.564 50 0 DHAARN Cc1cnc(NC(=O)CCn2ccc3ccc(F)cc32)s1 ZINC000013693010 563386321 /nfs/dbraw/zinc/38/63/21/563386321.db2.gz SCLNCYZHKYTJIV-UHFFFAOYSA-N 0 0 303.362 3.574 50 0 DHAARN Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)on1 ZINC000032740799 563388510 /nfs/dbraw/zinc/38/85/10/563388510.db2.gz MDDGLBDAYFJLBE-UHFFFAOYSA-N 0 0 319.792 3.879 50 0 DHAARN COc1ccc2c(c1)c1ncnc(N3C[C@H](C)C[C@H](C)C3)c1n2C ZINC000013806232 563389378 /nfs/dbraw/zinc/38/93/78/563389378.db2.gz WUWTVBLBTCIWLU-BETUJISGSA-N 0 0 324.428 3.612 50 0 DHAARN S=C(Nc1ccc(Br)cc1Cl)N1CCCC1 ZINC000013825763 563390104 /nfs/dbraw/zinc/39/01/04/563390104.db2.gz MFGUVOAYGFDKQN-UHFFFAOYSA-N 0 0 319.655 3.895 50 0 DHAARN CC1(C)CC/C(=C\c2ccc(Cl)cc2)[C@@]1(O)Cn1cncn1 ZINC000013831540 563390201 /nfs/dbraw/zinc/39/02/01/563390201.db2.gz PPDBOQMNKNNODG-ZGUWOUCSSA-N 0 0 317.820 3.566 50 0 in-vitro DHAARN COc1ccc([C@H](C)NC(=O)c2cccc3cccnc32)cc1F ZINC000032745030 563390319 /nfs/dbraw/zinc/39/03/19/563390319.db2.gz XTYNKOLRPINFHA-LBPRGKRZSA-N 0 0 324.355 3.874 50 0 DHAARN CCCCOc1ccc(C=C2SC(=O)NC2=O)cc1OCC ZINC000013843885 563390805 /nfs/dbraw/zinc/39/08/05/563390805.db2.gz ZFDGRJLYJLYCRW-UVTDQMKNSA-N 0 0 321.398 3.588 50 0 DHAARN CCOc1ccccc1NC(=S)Nc1ccc2c[nH]nc2c1 ZINC000013879009 563391376 /nfs/dbraw/zinc/39/13/76/563391376.db2.gz KGYWGJYXHVSGTQ-UHFFFAOYSA-N 0 0 312.398 3.771 50 0 DHAARN O=C(c1ccc(NCCCC2CCCC2)nc1)N1CCCC1 ZINC000032770058 563392023 /nfs/dbraw/zinc/39/20/23/563392023.db2.gz RGUNGLHVQBXWGG-UHFFFAOYSA-N 0 0 301.434 3.700 50 0 DHAARN Cc1ccc2[nH]c(C(=O)N(Cc3cccnc3)C3CC3)cc2c1 ZINC000032786873 563393192 /nfs/dbraw/zinc/39/31/92/563393192.db2.gz VYVNNCVIISOVOD-UHFFFAOYSA-N 0 0 305.381 3.676 50 0 DHAARN COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1c1cccn1C ZINC000032797320 563394780 /nfs/dbraw/zinc/39/47/80/563394780.db2.gz KYGIBWLVQBLMLF-GOSISDBHSA-N 0 0 312.413 3.573 50 0 DHAARN CC1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000032802910 563395519 /nfs/dbraw/zinc/39/55/19/563395519.db2.gz OVKCIQQVEHKXPG-POOIEITISA-N 0 0 306.372 3.985 50 0 DHAARN CCNC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000014111305 563395719 /nfs/dbraw/zinc/39/57/19/563395719.db2.gz IJIJVBJJNGBOBZ-UHFFFAOYSA-N 0 0 318.376 3.842 50 0 DHAARN C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1CCCCC1 ZINC000014114149 563396087 /nfs/dbraw/zinc/39/60/87/563396087.db2.gz HOSYTJIGTNZYNK-ZDUSSCGKSA-N 0 0 315.442 3.623 50 0 DHAARN Cc1noc2nc(C)cc(C(=O)Nc3ccccc3Cl)c12 ZINC000014179832 563396830 /nfs/dbraw/zinc/39/68/30/563396830.db2.gz OMFNFZHZOPIGAX-UHFFFAOYSA-N 0 0 301.733 3.745 50 0 DHAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccsc2)c1 ZINC000014140380 563396836 /nfs/dbraw/zinc/39/68/36/563396836.db2.gz HAUTWHGSACVSIY-HNNXBMFYSA-N 0 0 317.410 3.743 50 0 DHAARN CC(C)c1nnc(S[C@H](C)c2nnc(-c3ccccc3)o2)[nH]1 ZINC000014142179 563396873 /nfs/dbraw/zinc/39/68/73/563396873.db2.gz YQFXHENYHDSUSW-SNVBAGLBSA-N 0 0 315.402 3.831 50 0 DHAARN O=C(Nc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)s1 ZINC000014165845 563397093 /nfs/dbraw/zinc/39/70/93/563397093.db2.gz RTYOXCRQGAJYSS-UHFFFAOYSA-N 0 0 322.336 3.627 50 0 DHAARN CCCCC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000032817323 563398177 /nfs/dbraw/zinc/39/81/77/563398177.db2.gz JCNDMUMQFJMNTB-UHFFFAOYSA-N 0 0 309.431 3.532 50 0 DHAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)CCO2 ZINC000032818735 563398484 /nfs/dbraw/zinc/39/84/84/563398484.db2.gz LRGUKSQFUSUTOM-UHFFFAOYSA-N 0 0 320.348 3.892 50 0 DHAARN Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000032818355 563398507 /nfs/dbraw/zinc/39/85/07/563398507.db2.gz UBEXZBBZDFSAGC-OLZOCXBDSA-N 0 0 315.335 3.615 50 0 DHAARN CC[C@@H](CNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000014242805 563399185 /nfs/dbraw/zinc/39/91/85/563399185.db2.gz NTDVXWVEPDSWCI-NSHDSACASA-N 0 0 322.202 3.966 50 0 DHAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)cc(C)c2)c1 ZINC000014250232 563399440 /nfs/dbraw/zinc/39/94/40/563399440.db2.gz YSTIFNPYLBQYDR-CQSZACIVSA-N 0 0 313.397 3.812 50 0 DHAARN C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000032827506 563400552 /nfs/dbraw/zinc/40/05/52/563400552.db2.gz ZVOZCGSOKIYBHV-CQSZACIVSA-N 0 0 307.397 3.763 50 0 DHAARN C[C@H]1CCCC[C@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000032836308 563400876 /nfs/dbraw/zinc/40/08/76/563400876.db2.gz GLHIUXSOKKVDII-IONNQARKSA-N 0 0 321.289 3.620 50 0 DHAARN O=c1cc(Sc2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000032837503 563400890 /nfs/dbraw/zinc/40/08/90/563400890.db2.gz LGWISOTUGDPJOQ-UHFFFAOYSA-N 0 0 306.749 3.638 50 0 DHAARN COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 ZINC000032833171 563400911 /nfs/dbraw/zinc/40/09/11/563400911.db2.gz YFDXKHNMFGFWQE-UHFFFAOYSA-N 0 0 322.364 3.589 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)on2)cc1 ZINC000032833117 563400949 /nfs/dbraw/zinc/40/09/49/563400949.db2.gz VOADLVIGOZMBIF-UHFFFAOYSA-N 0 0 304.349 3.853 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000032836304 563400952 /nfs/dbraw/zinc/40/09/52/563400952.db2.gz GLHIUXSOKKVDII-APPZFPTMSA-N 0 0 321.289 3.620 50 0 DHAARN Cc1cc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)no1 ZINC000032841297 563401754 /nfs/dbraw/zinc/40/17/54/563401754.db2.gz MLDFJANQBMKVBH-SFCYXTAJSA-N 0 0 303.406 3.709 50 0 DHAARN CCCCc1nnc(NC(=O)c2ccc3ccccc3n2)s1 ZINC000014661020 563402335 /nfs/dbraw/zinc/40/23/35/563402335.db2.gz XQZCZZJXHRYJTE-UHFFFAOYSA-N 0 0 312.398 3.681 50 0 DHAARN CN(C)c1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000014793895 563402829 /nfs/dbraw/zinc/40/28/29/563402829.db2.gz ZTASCMLJDZSKAG-UHFFFAOYSA-N 0 0 303.431 3.759 50 0 DHAARN Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1 ZINC000014683701 563402959 /nfs/dbraw/zinc/40/29/59/563402959.db2.gz PITNQQCHFAYFEK-UHFFFAOYSA-N 0 0 322.408 3.870 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)N(C)CCOc1cccc(Cl)c1 ZINC000032863327 563403808 /nfs/dbraw/zinc/40/38/08/563403808.db2.gz ATTBTYYOSHUGCQ-CZUORRHYSA-N 0 0 324.852 3.939 50 0 DHAARN COc1ccc(Cl)cc1C[C@H]1C(=O)Nc2c1cccc2C ZINC000015017414 563405327 /nfs/dbraw/zinc/40/53/27/563405327.db2.gz JFLOUQKJJKMNOS-CQSZACIVSA-N 0 0 301.773 3.935 50 0 DHAARN CCOc1ccc(C(=O)Nc2nc(C)cs2)cc1OCC ZINC000015007760 563405382 /nfs/dbraw/zinc/40/53/82/563405382.db2.gz UAZJGBFDBDTFGJ-UHFFFAOYSA-N 0 0 306.387 3.501 50 0 DHAARN C[C@H](Sc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C)C ZINC000032883827 563407642 /nfs/dbraw/zinc/40/76/42/563407642.db2.gz UVXWZAALQARZGF-VIFPVBQESA-N 0 0 310.806 3.564 50 0 DHAARN CN(Cc1ccco1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000015306582 563409173 /nfs/dbraw/zinc/40/91/73/563409173.db2.gz VRSGPYKQMNECBT-UHFFFAOYSA-N 0 0 303.749 3.615 50 0 DHAARN Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(F)c1 ZINC000015313997 563409269 /nfs/dbraw/zinc/40/92/69/563409269.db2.gz XZBCMHIUHFKKFX-UHFFFAOYSA-N 0 0 301.214 3.943 50 0 DHAARN Cc1cccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1C ZINC000032899074 563409299 /nfs/dbraw/zinc/40/92/99/563409299.db2.gz DIKKAYQHAGQAIM-UHFFFAOYSA-N 0 0 324.424 3.828 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000032900359 563409713 /nfs/dbraw/zinc/40/97/13/563409713.db2.gz RCYYKFYYIIRAPA-INIZCTEOSA-N 0 0 319.408 3.634 50 0 DHAARN CCCc1nnc(SCc2ccccc2Br)[nH]1 ZINC000032907140 563410791 /nfs/dbraw/zinc/41/07/91/563410791.db2.gz RUMCEGQTFDWPCY-UHFFFAOYSA-N 0 0 312.236 3.812 50 0 DHAARN Cc1ccc(NC(=O)N2CCC(C(=O)C3CC3)CC2)c(C)c1 ZINC000032912533 563411500 /nfs/dbraw/zinc/41/15/00/563411500.db2.gz RLFDLCIBRDHFQA-UHFFFAOYSA-N 0 0 300.402 3.526 50 0 DHAARN CCCCCn1c2ccccc2nc1SCC(=O)NCCC ZINC000032910719 563411672 /nfs/dbraw/zinc/41/16/72/563411672.db2.gz YFILCQVESVZLGK-UHFFFAOYSA-N 0 0 319.474 3.845 50 0 DHAARN Cc1ccccc1C(=O)NCc1cccnc1OC1CCCC1 ZINC000032915192 563412302 /nfs/dbraw/zinc/41/23/02/563412302.db2.gz BVRSOKQFKVQTFG-UHFFFAOYSA-N 0 0 310.397 3.641 50 0 DHAARN COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2cccs2)c1 ZINC000032924145 563412909 /nfs/dbraw/zinc/41/29/09/563412909.db2.gz LBULHVGELWKPBA-QWHCGFSZSA-N 0 0 319.426 3.539 50 0 DHAARN COc1ccc(/C=C/C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000017030975 563413558 /nfs/dbraw/zinc/41/35/58/563413558.db2.gz LYQVWHQZEBRRFL-XIJKFNDHSA-N 0 0 303.402 3.507 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1F ZINC000032930810 563414023 /nfs/dbraw/zinc/41/40/23/563414023.db2.gz QACGTTMCWLHFII-UHFFFAOYSA-N 0 0 323.327 3.969 50 0 DHAARN CC1(C)CC(=O)C2=C(C1)C(C#N)(C#N)[C@@H](c1ccccc1)CC2=O ZINC000000433036 563414048 /nfs/dbraw/zinc/41/40/48/563414048.db2.gz JVXYEFCGHGHUKI-CQSZACIVSA-N 0 0 318.376 3.945 50 0 DHAARN CSc1ccc(C(=O)CCC(=O)Nc2ncc(C)s2)cc1 ZINC000010627685 563414631 /nfs/dbraw/zinc/41/46/31/563414631.db2.gz NKDNFIQMSPOFPX-UHFFFAOYSA-N 0 0 320.439 3.775 50 0 DHAARN CC(C)CCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000000975716 563415816 /nfs/dbraw/zinc/41/58/16/563415816.db2.gz DOIXXAKDMUWWFL-PTNGSMBKSA-N 0 0 318.442 3.835 50 0 DHAARN COc1cccc(-c2nc(COC(=O)c3ccco3)cs2)c1 ZINC000010669300 563416090 /nfs/dbraw/zinc/41/60/90/563416090.db2.gz MTCTYCGNMRCIEU-UHFFFAOYSA-N 0 0 315.350 3.769 50 0 DHAARN COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000020220912 563416964 /nfs/dbraw/zinc/41/69/64/563416964.db2.gz JUYOMYOTKFIMAY-UHFFFAOYSA-N 0 0 322.723 3.910 50 0 DHAARN Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)C2CC2)cc1C ZINC000010683083 563417664 /nfs/dbraw/zinc/41/76/64/563417664.db2.gz LOCYSJJVYWBMQN-INIZCTEOSA-N 0 0 321.467 3.795 50 0 DHAARN Cc1ccc(NC(=O)[C@H](C)N2CCc3sccc3C2)cc1F ZINC000010767748 563418232 /nfs/dbraw/zinc/41/82/32/563418232.db2.gz PAEAXGBAIGGWGI-LBPRGKRZSA-N 0 0 318.417 3.581 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2)c2cnn(C(C)C)c2n1 ZINC000010808741 563418352 /nfs/dbraw/zinc/41/83/52/563418352.db2.gz MVFSSTHIRAHXAX-CQSZACIVSA-N 0 0 322.412 3.812 50 0 DHAARN CC(C)CNC(=O)c1c2ccccc2nnc1-c1ccccc1 ZINC000032944419 563418526 /nfs/dbraw/zinc/41/85/26/563418526.db2.gz UUCYNGKSHOJOGV-UHFFFAOYSA-N 0 0 305.381 3.683 50 0 DHAARN Cc1noc(C)c1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000025458797 563422952 /nfs/dbraw/zinc/42/29/52/563422952.db2.gz GCRSTPLLDOXFKX-UHFFFAOYSA-N 0 0 313.401 3.924 50 0 DHAARN Cc1ccc(COC(=O)c2c(Cl)nc3sccn32)cc1 ZINC000010991519 563423694 /nfs/dbraw/zinc/42/36/94/563423694.db2.gz LLTDJGMFDSBZOP-UHFFFAOYSA-N 0 0 306.774 3.715 50 0 DHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2)on1 ZINC000025470334 563423791 /nfs/dbraw/zinc/42/37/91/563423791.db2.gz XEHBGPVNYJMHQV-CYBMUJFWSA-N 0 0 304.349 3.933 50 0 DHAARN COc1ccc2nc(C)c(C(=O)NC3CCC(C)CC3)cc2c1 ZINC000025802319 563424222 /nfs/dbraw/zinc/42/42/22/563424222.db2.gz YDDJHQURWQJGQV-UHFFFAOYSA-N 0 0 312.413 3.860 50 0 DHAARN C[C@H](NC(=O)NCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000025987021 563424322 /nfs/dbraw/zinc/42/43/22/563424322.db2.gz MJBJZEYFTIIZHJ-JTQLQIEISA-N 0 0 324.211 3.949 50 0 DHAARN COc1ccc(NC(=O)C(C)(C)C)cc1OCc1ccncc1 ZINC000025852341 563424613 /nfs/dbraw/zinc/42/46/13/563424613.db2.gz SNXMCSGPMYQMHV-UHFFFAOYSA-N 0 0 314.385 3.654 50 0 DHAARN COc1ccc(Cl)c2sc(NCc3cccnc3)nc21 ZINC000026423888 563425976 /nfs/dbraw/zinc/42/59/76/563425976.db2.gz BNBBWUMBSGNFLW-UHFFFAOYSA-N 0 0 305.790 3.965 50 0 DHAARN CCOC(=O)Nc1c(-c2cccs2)nc2cc(C)ccn21 ZINC000026770609 563426809 /nfs/dbraw/zinc/42/68/09/563426809.db2.gz NTHVJKORHPUXAT-UHFFFAOYSA-N 0 0 301.371 3.940 50 0 DHAARN CCN(CC)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000027475046 563428207 /nfs/dbraw/zinc/42/82/07/563428207.db2.gz VMVKTOAHSQPVTE-GOSISDBHSA-N 0 0 323.392 3.623 50 0 DHAARN COc1ccc(-c2nc(CCNC(=O)CC(C)C)cs2)cc1 ZINC000027994487 563430896 /nfs/dbraw/zinc/43/08/96/563430896.db2.gz UHVGHBSEKAQNKK-UHFFFAOYSA-N 0 0 318.442 3.524 50 0 DHAARN Cc1nc(CCNC(=O)c2oc3ccc(F)cc3c2C)cs1 ZINC000027991684 563431014 /nfs/dbraw/zinc/43/10/14/563431014.db2.gz KWRFNFDMVABSKD-UHFFFAOYSA-N 0 0 318.373 3.618 50 0 DHAARN CCOC(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[C@H]2C)c1C ZINC000072274148 563431723 /nfs/dbraw/zinc/43/17/23/563431723.db2.gz MOYUQQWPLMILIM-DGCLKSJQSA-N 0 0 319.405 3.874 50 0 DHAARN Clc1ccc(NCc2nc3n(n2)CCCCC3)cc1Cl ZINC000028526936 563432356 /nfs/dbraw/zinc/43/23/56/563432356.db2.gz GHSPBSVSXWBLEA-UHFFFAOYSA-N 0 0 311.216 3.923 50 0 DHAARN CC(=O)c1ccc(OCc2csc(-c3ccccn3)n2)cc1 ZINC000029077742 563433098 /nfs/dbraw/zinc/43/30/98/563433098.db2.gz BZUWHCLGDRIJIZ-UHFFFAOYSA-N 0 0 310.378 3.987 50 0 DHAARN O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1Cc2ccccc2O1 ZINC000029071019 563433322 /nfs/dbraw/zinc/43/33/22/563433322.db2.gz WOJRIJXJZWKTLH-LJQANCHMSA-N 0 0 323.392 3.950 50 0 DHAARN CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@H]1CCCc2ccccc21 ZINC000029473975 563434199 /nfs/dbraw/zinc/43/41/99/563434199.db2.gz CZRCHQBIXSUHEJ-HKUYNNGSSA-N 0 0 307.393 3.526 50 0 DHAARN C[C@H](N[C@@H](C)c1ccccc1Br)c1nccn1C ZINC000070443970 563434326 /nfs/dbraw/zinc/43/43/26/563434326.db2.gz RREYNVYAISWYOC-QWRGUYRKSA-N 0 0 308.223 3.594 50 0 DHAARN O=C(Cc1ccc2ccccc2c1)Nc1ccc2oc(=O)[nH]c2c1 ZINC000029839647 563435877 /nfs/dbraw/zinc/43/58/77/563435877.db2.gz ZXJKJFGIEQJQJP-UHFFFAOYSA-N 0 0 318.332 3.868 50 0 DHAARN CC(C)OCc1ccccc1CNC(=O)c1ccc(F)c(F)c1 ZINC000030369415 563436891 /nfs/dbraw/zinc/43/68/91/563436891.db2.gz XWUUACCAFWSROH-UHFFFAOYSA-N 0 0 319.351 3.820 50 0 DHAARN C[C@@H]1CCCC[C@@]1(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 ZINC000072292860 563437724 /nfs/dbraw/zinc/43/77/24/563437724.db2.gz KVEPKZOURQZPEW-ACJLOTCBSA-N 0 0 324.465 3.519 50 0 DHAARN CSCc1cccc(C(=O)N2CCn3c4ccccc4nc32)c1 ZINC000030661342 563437772 /nfs/dbraw/zinc/43/77/72/563437772.db2.gz UMLPSPCTCRDBKJ-UHFFFAOYSA-N 0 0 323.421 3.560 50 0 DHAARN C[C@@H](OCc1ccccc1)C(=O)Nc1cnc2ccccc2c1 ZINC000030706888 563438166 /nfs/dbraw/zinc/43/81/66/563438166.db2.gz WSIOCTFOUNEXBN-CQSZACIVSA-N 0 0 306.365 3.779 50 0 DHAARN C[C@@H](OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000030844096 563438976 /nfs/dbraw/zinc/43/89/76/563438976.db2.gz UJGQBONSWQAOCV-BEFAXECRSA-N 0 0 309.409 3.859 50 0 DHAARN Cc1nc2scc(-c3ccc(Br)cc3)n2c1C=O ZINC000031975293 563441223 /nfs/dbraw/zinc/44/12/23/563441223.db2.gz NAUHIUPGNAWBBN-UHFFFAOYSA-N 0 0 321.199 3.946 50 0 DHAARN C[C@@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2NC1=O ZINC000031903320 563441491 /nfs/dbraw/zinc/44/14/91/563441491.db2.gz KFBHBHXOWUYISX-LLVKDONJSA-N 0 0 314.772 3.575 50 0 DHAARN Cc1cccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000011083483 563442080 /nfs/dbraw/zinc/44/20/80/563442080.db2.gz AVNFAKHWXRQRDN-UHFFFAOYSA-N 0 0 319.408 3.512 50 0 DHAARN Cc1ccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 ZINC000032537735 563442436 /nfs/dbraw/zinc/44/24/36/563442436.db2.gz LXHDSQSCNAPPRG-UHFFFAOYSA-N 0 0 311.410 3.911 50 0 DHAARN Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@@H](C)C3CC3)cc12 ZINC000048302905 563442781 /nfs/dbraw/zinc/44/27/81/563442781.db2.gz OILOIVUTEGWGCO-LBPRGKRZSA-N 0 0 319.474 3.933 50 0 DHAARN CCCn1nnc(NCc2ccc(-c3cccc(Cl)c3)o2)n1 ZINC000032617045 563443162 /nfs/dbraw/zinc/44/31/62/563443162.db2.gz SVFWICCYZNVONI-UHFFFAOYSA-N 0 0 317.780 3.609 50 0 DHAARN CCCOc1ccc(S(=O)(=O)N[C@H](C)CC)c2ccccc12 ZINC000032601860 563443461 /nfs/dbraw/zinc/44/34/61/563443461.db2.gz BNNRJKROQIOAFR-CYBMUJFWSA-N 0 0 321.442 3.705 50 0 DHAARN Cc1nn(C)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000064697 563447072 /nfs/dbraw/zinc/44/70/72/563447072.db2.gz XFIGURNZQUTMBJ-UHFFFAOYSA-N 0 0 305.381 3.956 50 0 DHAARN CC(=O)Nc1cccc(Oc2ccc(-c3noc(C)n3)cc2)c1 ZINC000000803266 563447959 /nfs/dbraw/zinc/44/79/59/563447959.db2.gz IEDQOSUJWFLEGQ-UHFFFAOYSA-N 0 0 309.325 3.796 50 0 DHAARN CCCCCC[C@H]1[NH2+][C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000002097697 563448342 /nfs/dbraw/zinc/44/83/42/563448342.db2.gz YKZYZRBKXDEHFI-HZPDHXFCSA-N 0 0 300.402 3.778 50 0 biogenic DHAARN Cn1c(-c2nn(-c3ccccc3)cc2C=O)cc2ccccc21 ZINC000005051404 563450344 /nfs/dbraw/zinc/45/03/44/563450344.db2.gz WLGFLXZMZPSPJO-UHFFFAOYSA-N 0 0 301.349 3.844 50 0 DHAARN CC(=O)n1cc([C@@H]2OC(=O)C(C)C(=O)C2(C)C)c2ccccc21 ZINC000100754226 563450533 /nfs/dbraw/zinc/45/05/33/563450533.db2.gz CDLCKCRMKMNNOY-INIZCTEOSA-N 0 0 313.353 3.758 50 0 biogenic DHAARN Cc1ccc(N2C(=O)[C@@H]3CC(c4ccccc4)=CC[C@@H]3C2=O)cc1 ZINC000101197002 563451177 /nfs/dbraw/zinc/45/11/77/563451177.db2.gz NNCYCDZDGMSCJR-RBUKOAKNSA-N 0 0 317.388 3.978 50 0 DHAARN O=C1C(=Cc2ccc3[nH]ccc3c2)NC(=S)N1c1ccccc1 ZINC000034927082 563451730 /nfs/dbraw/zinc/45/17/30/563451730.db2.gz VNHJYSZDULHHCX-LFIBNONCSA-N 0 0 319.389 3.841 50 0 DHAARN CSC[C@@H]1CCCN(C(=O)NCCSc2ccccc2)C1 ZINC000291715527 563451844 /nfs/dbraw/zinc/45/18/44/563451844.db2.gz QDTASAHNJJTKCB-CQSZACIVSA-N 0 0 324.515 3.563 50 0 DHAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)C(C)C)cc2)n1 ZINC000035477273 563452641 /nfs/dbraw/zinc/45/26/41/563452641.db2.gz IJTLXVKGWUVCOQ-UHFFFAOYSA-N 0 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3.604 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1 ZINC000036567578 563455471 /nfs/dbraw/zinc/45/54/71/563455471.db2.gz HXPPNHWPUAJHFR-UHFFFAOYSA-N 0 0 308.381 3.904 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)NC2CCCCC2)c1C ZINC000036566182 563455489 /nfs/dbraw/zinc/45/54/89/563455489.db2.gz SLKRKKPQIBEYQI-UHFFFAOYSA-N 0 0 303.406 3.798 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)NC3CCCCCC3)c2)no1 ZINC000032996510 563459330 /nfs/dbraw/zinc/45/93/30/563459330.db2.gz IPABQWLKDIRKJC-UHFFFAOYSA-N 0 0 314.389 3.889 50 0 DHAARN COCCC(=O)NCc1ccc(-c2nc(C(C)C)cs2)cc1 ZINC000097938129 563460826 /nfs/dbraw/zinc/46/08/26/563460826.db2.gz SUHLWBVNOCRUND-UHFFFAOYSA-N 0 0 318.442 3.586 50 0 DHAARN CC[C@@H](CO)Nc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000033012210 563461887 /nfs/dbraw/zinc/46/18/87/563461887.db2.gz VBAGMEPNGHEIAS-LBPRGKRZSA-N 0 0 317.389 3.680 50 0 DHAARN O=C(NCCCc1ccccc1)C1(n2cccc2)CCCCC1 ZINC000033019260 563464204 /nfs/dbraw/zinc/46/42/04/563464204.db2.gz OZERURXFJVHOLV-UHFFFAOYSA-N 0 0 310.441 3.897 50 0 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CN(C)CN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000085406298 563520728 /nfs/dbraw/zinc/52/07/28/563520728.db2.gz RTTFCVNTFPKFHC-GXDHUFHOSA-N 0 0 318.442 3.540 50 0 DHAARN COc1ccc2c(C)c(-c3nc(-c4ccc(C)nn4)no3)oc2c1 ZINC000085533987 563521163 /nfs/dbraw/zinc/52/11/63/563521163.db2.gz RGSDUCBWNFESTH-UHFFFAOYSA-N 0 0 322.324 3.565 50 0 DHAARN COc1ccccc1CNC(=O)C1=Cc2ccc(C)cc2OC=C1 ZINC000033324423 563522012 /nfs/dbraw/zinc/52/20/12/563522012.db2.gz FCLCWFVGONZQFX-UHFFFAOYSA-N 0 0 321.376 3.610 50 0 DHAARN Brc1cnoc1-c1ccc(Br)cc1 ZINC000086033274 563522048 /nfs/dbraw/zinc/52/20/48/563522048.db2.gz MHDMBSNEFVOFGJ-UHFFFAOYSA-N 0 0 302.953 3.867 50 0 DHAARN Cc1csc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)n1 ZINC000011367307 563522412 /nfs/dbraw/zinc/52/24/12/563522412.db2.gz PVNFMCOLQAKOJJ-UHFFFAOYSA-N 0 0 314.410 3.542 50 0 DHAARN O[C@H](CNc1ccccc1)COc1ccc(Cl)cc1Cl ZINC000000072770 563522651 /nfs/dbraw/zinc/52/26/51/563522651.db2.gz GGYVXNVTAFGTDX-CYBMUJFWSA-N 0 0 312.196 3.845 50 0 DHAARN O=C(OCc1cc(Cl)ccn1)c1csc(-c2ccoc2)n1 ZINC000072289663 563526911 /nfs/dbraw/zinc/52/69/11/563526911.db2.gz LHHUUKHSWWEYGY-UHFFFAOYSA-N 0 0 320.757 3.809 50 0 DHAARN C[C@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)CCO1 ZINC000011499860 563527641 /nfs/dbraw/zinc/52/76/41/563527641.db2.gz LEIVSZIOILBWKL-JTQLQIEISA-N 0 0 317.435 3.977 50 0 DHAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccccc2)c1C ZINC000000090037 563527704 /nfs/dbraw/zinc/52/77/04/563527704.db2.gz UFNQKKXCYHZGQD-UHFFFAOYSA-N 0 0 317.410 3.783 50 0 aggregator DHAARN O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(Cl)cc1Cl ZINC000000088521 563527727 /nfs/dbraw/zinc/52/77/27/563527727.db2.gz PARYYGDXNINZLY-UHFFFAOYSA-N 0 0 322.147 3.916 50 0 DHAARN O=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011526270 563530503 /nfs/dbraw/zinc/53/05/03/563530503.db2.gz SEBRCUUIGVXAKT-CYBMUJFWSA-N 0 0 310.353 3.827 50 0 DHAARN COc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 ZINC000011544176 563531685 /nfs/dbraw/zinc/53/16/85/563531685.db2.gz BBRTUFRABQMMNT-UHFFFAOYSA-N 0 0 324.384 3.582 50 0 DHAARN COCC1(NC(=O)Nc2ccccc2C(F)(F)F)CCCC1 ZINC000096133726 563533196 /nfs/dbraw/zinc/53/31/96/563533196.db2.gz XKIRSKOJHVWOCN-UHFFFAOYSA-N 0 0 316.323 3.786 50 0 DHAARN CCC(=O)NCc1ccccc1-c1cnn(Cc2ccccc2)c1 ZINC000096133329 563533438 /nfs/dbraw/zinc/53/34/38/563533438.db2.gz LKBAFVAXRZEXQD-UHFFFAOYSA-N 0 0 319.408 3.625 50 0 DHAARN CC[C@@H](O)Cn1nc(C2CC2)nc1-c1ccc2oc(C)cc2c1 ZINC000096140286 563533967 /nfs/dbraw/zinc/53/39/67/563533967.db2.gz VVZSUZYMYZGXJY-OAHLLOKOSA-N 0 0 311.385 3.648 50 0 DHAARN CCCOc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1Cl ZINC000096140873 563534201 /nfs/dbraw/zinc/53/42/01/563534201.db2.gz OJOMYOCQJPYFFK-LLVKDONJSA-N 0 0 308.765 3.683 50 0 DHAARN Cc1nc(-c2scnc2C)n(Cc2c(F)cccc2Cl)n1 ZINC000096152551 563534708 /nfs/dbraw/zinc/53/47/08/563534708.db2.gz HYODFRNHHALHIK-UHFFFAOYSA-N 0 0 322.796 3.859 50 0 DHAARN c1cc(-c2nc(C3CCCC3)nn2CCc2ccccc2)no1 ZINC000096163798 563534765 /nfs/dbraw/zinc/53/47/65/563534765.db2.gz KXRWYDDMEIPRBP-UHFFFAOYSA-N 0 0 308.385 3.833 50 0 DHAARN CC(C)n1nccc1NC(=O)NCCSC1CCCCC1 ZINC000096163723 563534864 /nfs/dbraw/zinc/53/48/64/563534864.db2.gz CTVCSHQFLFBWAH-UHFFFAOYSA-N 0 0 310.467 3.651 50 0 DHAARN Cc1cc([C@@H]2CCCN2Cc2cccc(Cn3cccn3)c2)no1 ZINC000097137099 563538016 /nfs/dbraw/zinc/53/80/16/563538016.db2.gz WLOAQSFUGOFTGN-IBGZPJMESA-N 0 0 322.412 3.565 50 0 DHAARN CC(C)c1nc(CN(C)[C@H](C)c2ccc3c(c2)OCCO3)co1 ZINC000097370446 563538819 /nfs/dbraw/zinc/53/88/19/563538819.db2.gz YFIBSUWDKKYTJE-CYBMUJFWSA-N 0 0 316.401 3.762 50 0 DHAARN CSc1ncc(CNC(=O)Nc2ccc(C(C)C)cc2)n1C ZINC000097468472 563539447 /nfs/dbraw/zinc/53/94/47/563539447.db2.gz NSHJWHUNUKENMP-UHFFFAOYSA-N 0 0 318.446 3.587 50 0 DHAARN Cc1n[nH]cc1CN(C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000097492566 563539521 /nfs/dbraw/zinc/53/95/21/563539521.db2.gz ANNDQFWECLQQCU-UHFFFAOYSA-N 0 0 306.797 3.652 50 0 DHAARN CC(=O)c1cc(CN(C)Cc2cnc3ccccc3n2)cs1 ZINC000097499701 563539699 /nfs/dbraw/zinc/53/96/99/563539699.db2.gz DYJAQQYSMVUJOL-UHFFFAOYSA-N 0 0 311.410 3.526 50 0 DHAARN O=C(NC[C@@H]1CCOc2ccccc2C1)c1ccc2cc[nH]c2c1 ZINC000097636645 563541227 /nfs/dbraw/zinc/54/12/27/563541227.db2.gz AXSHQLLNNCWSAI-CQSZACIVSA-N 0 0 320.392 3.539 50 0 DHAARN C[C@@H](C(=O)NC(C)(C)C)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073079 563544103 /nfs/dbraw/zinc/54/41/03/563544103.db2.gz LQMFUZBWURRUDT-CQSZACIVSA-N 0 0 309.409 3.936 50 0 DHAARN Cc1ccc(C2=NC(=CNc3cccc(Cl)c3)C(=O)O2)cc1 ZINC000100135893 563546611 /nfs/dbraw/zinc/54/66/11/563546611.db2.gz JIYGZSGPPGCQLK-GDNBJRDFSA-N 0 0 312.756 3.905 50 0 DHAARN Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(C)cc1 ZINC000100163442 563546975 /nfs/dbraw/zinc/54/69/75/563546975.db2.gz JSOONLWDVGTLNT-ZCXUNETKSA-N 0 0 312.394 3.705 50 0 DHAARN Fc1ccc(C2=Nc3ncnn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000100622312 563552099 /nfs/dbraw/zinc/55/20/99/563552099.db2.gz UBCOKPJYLUGCKP-INIZCTEOSA-N 0 0 310.307 3.612 50 0 DHAARN O=C1Nc2ccccc2[C@@H]1Cc1cccc(Br)c1 ZINC000101016616 563555819 /nfs/dbraw/zinc/55/58/19/563555819.db2.gz GXTSSKHXXSPBSC-ZDUSSCGKSA-N 0 0 302.171 3.728 50 0 DHAARN Cc1cccc(C[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000101257269 563556857 /nfs/dbraw/zinc/55/68/57/563556857.db2.gz PCDAIUPQIVDIDU-AWEZNQCLSA-N 0 0 313.784 3.771 50 0 DHAARN CCc1ccc(Cn2nccc2NC(=O)c2ccccc2)cc1 ZINC000014185324 563560597 /nfs/dbraw/zinc/56/05/97/563560597.db2.gz RNMYZWDGOCJDAB-UHFFFAOYSA-N 0 0 305.381 3.746 50 0 DHAARN O=C(Nc1nnc(/C=C\c2ccccc2)s1)c1ccccc1 ZINC000033400199 563566004 /nfs/dbraw/zinc/56/60/04/563566004.db2.gz QPWWZDWCZTUJTJ-QXMHVHEDSA-N 0 0 307.378 3.961 50 0 DHAARN Cc1ccc(-c2nc3nc(C)cc(N4CCC(C)CC4)n3n2)cc1 ZINC000014610261 563568300 /nfs/dbraw/zinc/56/83/00/563568300.db2.gz FXPAXHJKDXZVPA-UHFFFAOYSA-N 0 0 321.428 3.644 50 0 DHAARN CCCN(CCC)c1cc(C)nc2nc(-c3ccccc3)nn21 ZINC000014610189 563568579 /nfs/dbraw/zinc/56/85/79/563568579.db2.gz FKXRHEBCNUIGNE-UHFFFAOYSA-N 0 0 309.417 3.726 50 0 DHAARN Cc1cc(N2CCCC[C@@H]2C)n2nc(-c3ccccc3C)nc2n1 ZINC000014610459 563568597 /nfs/dbraw/zinc/56/85/97/563568597.db2.gz KDAPSOBFIQONSJ-HNNXBMFYSA-N 0 0 321.428 3.787 50 0 DHAARN Cc1ccc(-c2nc3nc(C)cc(N4CCCC[C@@H]4C)n3n2)cc1 ZINC000014610259 563568610 /nfs/dbraw/zinc/56/86/10/563568610.db2.gz DAPYSKWWWSKNKD-HNNXBMFYSA-N 0 0 321.428 3.787 50 0 DHAARN C[C@H]1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)[C@H]1C ZINC000000106081 563570361 /nfs/dbraw/zinc/57/03/61/563570361.db2.gz BQFAPGKABHKJDF-KBPBESRZSA-N 0 0 317.392 3.945 50 0 DHAARN O=C(COc1cc(Cl)ccc1Cl)NCCc1ccccc1 ZINC000000130342 563571950 /nfs/dbraw/zinc/57/19/50/563571950.db2.gz YKPIFEUCQZQQKF-UHFFFAOYSA-N 0 0 324.207 3.731 50 0 DHAARN Cc1[nH]c2ccccc2c1/C=C1/N=C(c2ccccc2)OC1=O ZINC000000126640 563572131 /nfs/dbraw/zinc/57/21/31/563572131.db2.gz OUQDIQVOSCQVEU-GZTJUZNOSA-N 0 0 302.333 3.821 50 0 DHAARN COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)c(OC)c1 ZINC000000147244 563572861 /nfs/dbraw/zinc/57/28/61/563572861.db2.gz IHCONWRGWDEHHK-CSKARUKUSA-N 0 0 311.381 3.973 50 0 DHAARN CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OCC3=O)cc1 ZINC000000145984 563573198 /nfs/dbraw/zinc/57/31/98/563573198.db2.gz TUGIRKFIQSBPEH-UHFFFAOYSA-N 0 0 310.349 3.778 50 0 DHAARN C[C@@H](Sc1ncnc2c1cnn2C)c1ccccc1Cl ZINC000011682655 563573835 /nfs/dbraw/zinc/57/38/35/563573835.db2.gz CYFQAJJKZQZWOT-SECBINFHSA-N 0 0 304.806 3.870 50 0 DHAARN C[C@H](Sc1ncnc2c1cnn2C)c1ccccc1Cl ZINC000011682650 563573885 /nfs/dbraw/zinc/57/38/85/563573885.db2.gz CYFQAJJKZQZWOT-VIFPVBQESA-N 0 0 304.806 3.870 50 0 DHAARN COc1ccc(N2C(=O)c3cc4ccccc4cc3C2=O)cc1 ZINC000000196673 563577246 /nfs/dbraw/zinc/57/72/46/563577246.db2.gz OCRXVUMOYCGRIZ-UHFFFAOYSA-N 0 0 303.317 3.649 50 0 DHAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1NC(C)C ZINC000000211207 563578613 /nfs/dbraw/zinc/57/86/13/563578613.db2.gz ZVZVFJHJJSJCSH-UHFFFAOYSA-N 0 0 302.374 3.631 50 0 DHAARN CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(C)cc1 ZINC000000214021 563578780 /nfs/dbraw/zinc/57/87/80/563578780.db2.gz GFSDVLJBDFJXPP-UHFFFAOYSA-N 0 0 321.405 3.897 50 0 DHAARN O=C1[C@H]2CCCN2C(=S)N1c1ccc(Oc2ccccc2)cc1 ZINC000000217506 563579206 /nfs/dbraw/zinc/57/92/06/563579206.db2.gz YVMNRQIUHPNZJZ-MRXNPFEDSA-N 0 0 324.405 3.575 50 0 DHAARN C[C@H]1CCCCN1C(=O)CCn1c2ccccc2oc1=S ZINC000000224672 563579613 /nfs/dbraw/zinc/57/96/13/563579613.db2.gz YNDYOBDFONGCMN-LBPRGKRZSA-N 0 0 304.415 3.755 50 0 biogenic DHAARN Cc1cc(C)c2c3c(c(=O)oc2c1)S[C@@H](C(F)(F)F)C3 ZINC000000236323 563580520 /nfs/dbraw/zinc/58/05/20/563580520.db2.gz SCHFSYRLAPIKTN-SNVBAGLBSA-N 0 0 300.301 3.989 50 0 DHAARN COC(=O)c1cc(C2CC2)nc2ccc(Br)cc21 ZINC000000205163 563610725 /nfs/dbraw/zinc/61/07/25/563610725.db2.gz FICSOCPOENNXJH-UHFFFAOYSA-N 0 0 306.159 3.661 50 0 DHAARN O=C(CN1c2cccc3cccc(c23)C1=O)NC1CCCCCC1 ZINC000000118739 563582525 /nfs/dbraw/zinc/58/25/25/563582525.db2.gz ZTHRWUNIIRTLJQ-UHFFFAOYSA-N 0 0 322.408 3.639 50 0 DHAARN COc1cccc(CNC(=O)CSCc2ccc(C)cc2)c1 ZINC000000262699 563582962 /nfs/dbraw/zinc/58/29/62/563582962.db2.gz ZZOMHAYPNIBCAH-UHFFFAOYSA-N 0 0 315.438 3.553 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)Cn2cc(C)c3ccccc32)c1 ZINC000050256412 563583117 /nfs/dbraw/zinc/58/31/17/563583117.db2.gz CEWOUHWQPZMHFO-UHFFFAOYSA-N 0 0 321.380 3.547 50 0 DHAARN Cc1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1 ZINC000000262664 563583182 /nfs/dbraw/zinc/58/31/82/563583182.db2.gz NBFPLGDWVCGPKN-UHFFFAOYSA-N 0 0 303.402 3.684 50 0 DHAARN Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000267387 563584139 /nfs/dbraw/zinc/58/41/39/563584139.db2.gz CFXCSWSBOUAXDR-UHFFFAOYSA-N 0 0 309.321 3.765 50 0 DHAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Cl)cc1 ZINC000000288017 563584814 /nfs/dbraw/zinc/58/48/14/563584814.db2.gz JVAOJKDNOFJAQN-ZROIWOOFSA-N 0 0 301.704 3.824 50 0 DHAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C(F)(F)F ZINC000000292574 563585359 /nfs/dbraw/zinc/58/53/59/563585359.db2.gz UIOIOZZJQLABMW-UHFFFAOYSA-N 0 0 306.243 3.996 50 0 DHAARN C[C@@H](C1CC1)N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000011692348 563587532 /nfs/dbraw/zinc/58/75/32/563587532.db2.gz VSSYSRIHPJFOKI-AWEZNQCLSA-N 0 0 301.411 3.680 50 0 DHAARN O=C(Cc1[nH]nc2ccccc21)N1CCC[C@H]1c1ccsc1 ZINC000050580147 563589409 /nfs/dbraw/zinc/58/94/09/563589409.db2.gz LMYGEVZVOJSKBY-INIZCTEOSA-N 0 0 311.410 3.531 50 0 DHAARN Cc1nc2c(Br)ccc(Br)c2nc1C ZINC000000346975 563589504 /nfs/dbraw/zinc/58/95/04/563589504.db2.gz HTBCEBFTSLDEIZ-UHFFFAOYSA-N 0 0 315.996 3.772 50 0 DHAARN Cc1ccccc1NC(=O)/C=C1\NC(C)(C)Cc2ccccc21 ZINC000000342148 563589550 /nfs/dbraw/zinc/58/95/50/563589550.db2.gz YFGUVFYODINRFP-PDGQHHTCSA-N 0 0 306.409 3.899 50 0 DHAARN CCc1cc(OC)c(OC)cc1[C@@H](C)NC(=O)c1ccccc1 ZINC000000356787 563590086 /nfs/dbraw/zinc/59/00/86/563590086.db2.gz FGWJDPFVVHPHQG-CYBMUJFWSA-N 0 0 313.397 3.757 50 0 DHAARN O=C(CF)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl ZINC000000369127 563590716 /nfs/dbraw/zinc/59/07/16/563590716.db2.gz BTQUEGUXEZBXBB-SECBINFHSA-N 0 0 316.612 3.561 50 0 DHAARN CC1=CC[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 ZINC000100292227 563591626 /nfs/dbraw/zinc/59/16/26/563591626.db2.gz GMKLHNRYWLFCTM-CHWSQXEVSA-N 0 0 309.287 3.551 50 0 DHAARN CC1(C)CC(=O)C2(Cc3ccccc3N3CCCC[C@H]32)C(=O)C1 ZINC000004913953 563592954 /nfs/dbraw/zinc/59/29/54/563592954.db2.gz SCAAQQCXCDRCDW-INIZCTEOSA-N 0 0 311.425 3.546 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Cc1cc(CN(C)C(=O)N[C@@H](c2cccs2)C(C)C)no1 ZINC000048368716 563698335 /nfs/dbraw/zinc/69/83/35/563698335.db2.gz TYMXMCRDZBPUJT-CQSZACIVSA-N 0 0 307.419 3.583 50 0 DHAARN C[C@H]1CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)CCO1 ZINC000048521565 563699180 /nfs/dbraw/zinc/69/91/80/563699180.db2.gz JTGDWKAGBSLMJH-VIFPVBQESA-N 0 0 320.336 3.551 50 0 DHAARN COCCOc1c(Cl)cccc1NC(=O)c1ccsc1 ZINC000049314783 563701144 /nfs/dbraw/zinc/70/11/44/563701144.db2.gz DUHIBDGMMGSQEN-UHFFFAOYSA-N 0 0 311.790 3.679 50 0 DHAARN CC(C)OCc1ccc(CNC(=O)Cc2cccs2)cc1 ZINC000049134359 563701231 /nfs/dbraw/zinc/70/12/31/563701231.db2.gz LZFGBACWWCIIJB-UHFFFAOYSA-N 0 0 303.427 3.532 50 0 DHAARN Cc1ncsc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190275007 563702977 /nfs/dbraw/zinc/70/29/77/563702977.db2.gz USVBDIFNBRQQOA-NSHDSACASA-N 0 0 322.380 3.750 50 0 DHAARN Cc1nc(CN(Cc2cccs2)C[C@H]2CCCO2)oc1C ZINC000049982941 563702981 /nfs/dbraw/zinc/70/29/81/563702981.db2.gz LNBAAFNEJWEAGE-CQSZACIVSA-N 0 0 306.431 3.534 50 0 DHAARN CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(COC)s1 ZINC000215104042 563704117 /nfs/dbraw/zinc/70/41/17/563704117.db2.gz QIMUYGCQFLLSSV-CQSZACIVSA-N 0 0 304.415 3.513 50 0 DHAARN CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(C)c[nH]1 ZINC000215155289 563704165 /nfs/dbraw/zinc/70/41/65/563704165.db2.gz VIXKMGYVRHUJJN-LBPRGKRZSA-N 0 0 311.307 3.618 50 0 DHAARN COc1cc(F)c(CN(C)Cc2cc(C(C)C)no2)cc1OC ZINC000215089394 563704300 /nfs/dbraw/zinc/70/43/00/563704300.db2.gz ZNOCCNTXXBWMFP-UHFFFAOYSA-N 0 0 322.380 3.586 50 0 DHAARN COC[C@@H](c1ccccn1)N(C)Cc1cc(C)cc(C)c1OC ZINC000215202414 563704683 /nfs/dbraw/zinc/70/46/83/563704683.db2.gz UWUBYBQXZJZIHP-SFHVURJKSA-N 0 0 314.429 3.527 50 0 DHAARN CC(C)OC(=O)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215496966 563705316 /nfs/dbraw/zinc/70/53/16/563705316.db2.gz ZLNRNSZNMWUQFX-UHFFFAOYSA-N 0 0 319.792 3.633 50 0 DHAARN COc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3ccccn3)cc2c1 ZINC000216296998 563709279 /nfs/dbraw/zinc/70/92/79/563709279.db2.gz LTYQWGLBKNGCAO-SFHVURJKSA-N 0 0 321.380 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DHAARN O=C(COc1ccccc1Cl)N1CC[C@H]1c1ccc(F)cc1 ZINC000223069226 563730471 /nfs/dbraw/zinc/73/04/71/563730471.db2.gz VHXBWPPQMJULSF-HNNXBMFYSA-N 0 0 319.763 3.832 50 0 DHAARN CC[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1ccc(C)cn1 ZINC000223175520 563731219 /nfs/dbraw/zinc/73/12/19/563731219.db2.gz OUEYUQDLRCKQAL-MRXNPFEDSA-N 0 0 312.388 3.828 50 0 DHAARN C[C@H]1CCN(Cc2cc(C(N)=O)cs2)c2ccccc2S1 ZINC000225416143 563754440 /nfs/dbraw/zinc/75/44/40/563754440.db2.gz XPYUCBOHQAKYCO-NSHDSACASA-N 0 0 318.467 3.738 50 0 DHAARN Cc1noc(C)c1C(C)(C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000225477087 563756708 /nfs/dbraw/zinc/75/67/08/563756708.db2.gz AHSBURFQCRURCQ-CYBMUJFWSA-N 0 0 314.429 3.707 50 0 DHAARN FC(F)Oc1ccc(Cn2ccc(-c3nccs3)n2)cc1 ZINC000225501305 563757234 /nfs/dbraw/zinc/75/72/34/563757234.db2.gz GPNSMCVHOVOETJ-UHFFFAOYSA-N 0 0 307.325 3.656 50 0 DHAARN O=C(Nc1ccc(Br)cc1O)c1ccoc1Cl ZINC000225496412 563757382 /nfs/dbraw/zinc/75/73/82/563757382.db2.gz OLNUURMTBKWYSH-UHFFFAOYSA-N 0 0 316.538 3.653 50 0 DHAARN Cn1c(-c2ccccc2)nnc1N1CCC[C@H]1c1cccs1 ZINC000225687312 563759415 /nfs/dbraw/zinc/75/94/15/563759415.db2.gz JLARWHYSXKASMH-AWEZNQCLSA-N 0 0 310.426 3.885 50 0 DHAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F ZINC000012389499 563768538 /nfs/dbraw/zinc/76/85/38/563768538.db2.gz XQVVARXHVUTWAF-UHFFFAOYSA-N 0 0 301.346 3.634 50 0 DHAARN Cc1ccc(S(=O)(=O)c2ccccc2Br)cc1 ZINC000079754137 563770300 /nfs/dbraw/zinc/77/03/00/563770300.db2.gz XGDRKQHNUBWVID-UHFFFAOYSA-N 0 0 311.200 3.590 50 0 DHAARN O=C(Cc1cc(-c2cccs2)on1)N1CCc2ccccc21 ZINC000012422242 563774161 /nfs/dbraw/zinc/77/41/61/563774161.db2.gz LRXKJENZFYYRDK-UHFFFAOYSA-N 0 0 310.378 3.535 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2cccs2)on1 ZINC000012422244 563774447 /nfs/dbraw/zinc/77/44/47/563774447.db2.gz KHEZQMPCOYAMGI-LBPRGKRZSA-N 0 0 324.405 3.923 50 0 DHAARN COC(=O)c1ccoc1-c1sc2nc(C)cc(C)c2c1N ZINC000012422107 563774525 /nfs/dbraw/zinc/77/45/25/563774525.db2.gz BPBVKWQBHCCCQJ-UHFFFAOYSA-N 0 0 302.355 3.542 50 0 DHAARN CCc1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC000012443884 563774947 /nfs/dbraw/zinc/77/49/47/563774947.db2.gz IQEFMFWAJKKLQB-UHFFFAOYSA-N 0 0 311.316 3.690 50 0 DHAARN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc(C2CC2)on1 ZINC000240244191 563776734 /nfs/dbraw/zinc/77/67/34/563776734.db2.gz DKSOEQSXCJWNPW-XJKSGUPXSA-N 0 0 310.397 3.960 50 0 DHAARN CSc1cccc(NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1C ZINC000241383520 563777441 /nfs/dbraw/zinc/77/74/41/563777441.db2.gz MVXRVLYZSHQFSH-ZIAGYGMSSA-N 0 0 320.458 3.607 50 0 DHAARN Cc1nc2ccc(-c3noc([C@H]4CCO[C@@H](C)C4)n3)cc2s1 ZINC000241923256 563777801 /nfs/dbraw/zinc/77/78/01/563777801.db2.gz UEHCKUPUBHFDIM-CABZTGNLSA-N 0 0 315.398 3.937 50 0 DHAARN CCCCc1ccc(N(C)C(=O)c2cnn(C(C)C)c2N)cc1 ZINC000241897317 563777846 /nfs/dbraw/zinc/77/78/46/563777846.db2.gz TXPQAFOZABDPPV-UHFFFAOYSA-N 0 0 314.433 3.665 50 0 DHAARN CC(C)c1ccc(NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000242389236 563778480 /nfs/dbraw/zinc/77/84/80/563778480.db2.gz ZVIYJHQOQVXPNK-UONOGXRCSA-N 0 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CJGGGXPBPJATQY-LJQANCHMSA-N 0 0 324.424 3.973 50 0 DHAARN CCc1nc(C)c([C@@H](C)Nc2cnn(CC(F)F)c2)s1 ZINC000182643440 563793691 /nfs/dbraw/zinc/79/36/91/563793691.db2.gz XNOAQKBETHOJHH-MRVPVSSYSA-N 0 0 300.378 3.649 50 0 DHAARN COCc1nc(CSc2cc(Cl)ccc2Cl)no1 ZINC000182648434 563793835 /nfs/dbraw/zinc/79/38/35/563793835.db2.gz VVLOLJWGECEXTG-UHFFFAOYSA-N 0 0 305.186 3.815 50 0 DHAARN Fc1c(Br)ccc(OC(F)F)c1Br ZINC000263623690 563794428 /nfs/dbraw/zinc/79/44/28/563794428.db2.gz JSXIXHOAZWHLOL-UHFFFAOYSA-N 0 0 319.902 3.952 50 0 DHAARN NC(=O)c1cccc(CSc2ccc(Br)cc2)c1 ZINC000263623995 563794567 /nfs/dbraw/zinc/79/45/67/563794567.db2.gz MLSRPQQYWZRCQB-UHFFFAOYSA-N 0 0 322.227 3.840 50 0 DHAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nccs1 ZINC000031663891 563795889 /nfs/dbraw/zinc/79/58/89/563795889.db2.gz QRAZVEXMLJZNBY-ZETCQYMHSA-N 0 0 317.197 3.856 50 0 DHAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc2[nH]cnc2c1 ZINC000012506969 563796780 /nfs/dbraw/zinc/79/67/80/563796780.db2.gz RJPFFCPDINTWER-CYBMUJFWSA-N 0 0 309.394 3.530 50 0 DHAARN O=C(Cc1c(Cl)cccc1Cl)Nn1cnc2ccccc21 ZINC000012506997 563797122 /nfs/dbraw/zinc/79/71/22/563797122.db2.gz GQOXYFGQIXXPTB-UHFFFAOYSA-N 0 0 320.179 3.656 50 0 DHAARN O=C(NCc1cccnc1)c1ccc(SC(F)(F)F)cc1 ZINC000012527264 563797627 /nfs/dbraw/zinc/79/76/27/563797627.db2.gz BFJNHKIQMLUYNS-UHFFFAOYSA-N 0 0 312.316 3.624 50 0 DHAARN O=C(NC1CCCCCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000012534126 563798096 /nfs/dbraw/zinc/79/80/96/563798096.db2.gz LIGRJCWVGZHVDZ-UHFFFAOYSA-N 0 0 315.442 3.987 50 0 DHAARN CN(CCNC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000012543528 563799947 /nfs/dbraw/zinc/79/99/47/563799947.db2.gz GLWZVAHTPKWHAM-UHFFFAOYSA-N 0 0 318.420 3.635 50 0 DHAARN FC(F)(F)c1nc2ccccc2c(NCc2ccccn2)n1 ZINC000012553889 563801353 /nfs/dbraw/zinc/80/13/53/563801353.db2.gz KIJVABRVFUUAHH-UHFFFAOYSA-N 0 0 304.275 3.656 50 0 DHAARN Cc1ccnc(NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000012554659 563801361 /nfs/dbraw/zinc/80/13/61/563801361.db2.gz QIXBCPLZHKCIHV-UHFFFAOYSA-N 0 0 312.847 3.977 50 0 DHAARN O=C(NCCCn1ccc2ccccc21)c1ccc(F)cc1F ZINC000012565424 563801862 /nfs/dbraw/zinc/80/18/62/563801862.db2.gz ZWNDIZMFFHFRJW-UHFFFAOYSA-N 0 0 314.335 3.740 50 0 DHAARN O=C(NCCCn1ccc2ccccc21)c1ccc(F)c(F)c1 ZINC000012562529 563802179 /nfs/dbraw/zinc/80/21/79/563802179.db2.gz RSPKEOFRUKXSAC-UHFFFAOYSA-N 0 0 314.335 3.740 50 0 DHAARN CSCc1c2ccccc2oc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012602179 563802764 /nfs/dbraw/zinc/80/27/64/563802764.db2.gz PAPKODLNGNVSEY-TXEJJXNPSA-N 0 0 319.426 3.545 50 0 DHAARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000012595068 563802914 /nfs/dbraw/zinc/80/29/14/563802914.db2.gz QPEOGKSXDAUCIO-GFCCVEGCSA-N 0 0 303.793 3.791 50 0 DHAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSC1=NCCS1 ZINC000012603815 563802923 /nfs/dbraw/zinc/80/29/23/563802923.db2.gz HIMNLMQMSZFMPO-UPJWGTAASA-N 0 0 315.504 3.826 50 0 DHAARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1F ZINC000012595468 563802925 /nfs/dbraw/zinc/80/29/25/563802925.db2.gz JGDTWOPWODFTND-NSHDSACASA-N 0 0 316.351 3.893 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563867873 /nfs/dbraw/zinc/86/78/73/563867873.db2.gz DMRXUIKWCOOFBA-UHFFFAOYSA-N 0 0 322.343 3.836 50 0 DHAARN O=C(NCc1cncc(-c2ccoc2)c1)c1c[nH]c2ccccc12 ZINC000575621108 563868283 /nfs/dbraw/zinc/86/82/83/563868283.db2.gz UVQADFQLYMUJLZ-UHFFFAOYSA-N 0 0 317.348 3.753 50 0 DHAARN CC(C)C[C@H](C)NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000221844420 563869554 /nfs/dbraw/zinc/86/95/54/563869554.db2.gz SCJSHYMJUFKCDR-BHYGNILZSA-N 0 0 304.434 3.641 50 0 DHAARN CC(C)[C@H](C(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCCC1=O ZINC000225422466 563869775 /nfs/dbraw/zinc/86/97/75/563869775.db2.gz FYKFVGGDZWEHCQ-YFHUEUNASA-N 0 0 321.461 3.536 50 0 DHAARN CCc1noc2ncnc(Nc3cc(C)c(Cl)cc3OC)c12 ZINC000035528799 563872196 /nfs/dbraw/zinc/87/21/96/563872196.db2.gz QNMUCGRSUZABBT-UHFFFAOYSA-N 0 0 318.764 3.894 50 0 DHAARN Cc1ccc(Cl)c(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000012981579 563872762 /nfs/dbraw/zinc/87/27/62/563872762.db2.gz FUTHGESRKUYPLK-UHFFFAOYSA-N 0 0 314.772 3.544 50 0 DHAARN O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000012982521 563872842 /nfs/dbraw/zinc/87/28/42/563872842.db2.gz JVPLEECHTSCIKO-UHFFFAOYSA-N 0 0 314.429 3.878 50 0 DHAARN CCNc1cc(C)ccc1NC(=O)c1cc2ccccc2[nH]c1=O ZINC000191346478 563872878 /nfs/dbraw/zinc/87/28/78/563872878.db2.gz CQWBMWAAAUVNSH-UHFFFAOYSA-N 0 0 321.380 3.521 50 0 DHAARN CC(C)(C)SCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000012987341 563873400 /nfs/dbraw/zinc/87/34/00/563873400.db2.gz FHHVFVYNPJNACZ-UHFFFAOYSA-N 0 0 307.444 3.675 50 0 DHAARN CC[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1 ZINC000032151649 563873550 /nfs/dbraw/zinc/87/35/50/563873550.db2.gz UBAVCJFBMHUILC-RZIFZGNASA-N 0 0 310.397 3.589 50 0 DHAARN COC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000000385243 563874002 /nfs/dbraw/zinc/87/40/02/563874002.db2.gz LAIGARXVDNQWIU-UHFFFAOYSA-N 0 0 323.270 3.744 50 0 DHAARN Cc1nc2cc(NC(=O)c3cccc4cccnc43)ccc2o1 ZINC000012998201 563874082 /nfs/dbraw/zinc/87/40/82/563874082.db2.gz KBGFOZKBUHDXBV-UHFFFAOYSA-N 0 0 303.321 3.937 50 0 DHAARN CC(=O)CSc1nc2sc(C)nc2c(-c2ccccc2)n1 ZINC000035682695 563874502 /nfs/dbraw/zinc/87/45/02/563874502.db2.gz FGLSHJKBERNWAS-UHFFFAOYSA-N 0 0 315.423 3.743 50 0 DHAARN COC(=O)c1cc(NC(=O)CCC2CCCC2)c(F)cc1F ZINC000013006646 563875564 /nfs/dbraw/zinc/87/55/64/563875564.db2.gz YBZPZOWSFBFXBE-UHFFFAOYSA-N 0 0 311.328 3.660 50 0 DHAARN C/C(=C\C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)C1CC1 ZINC000103803937 563875680 /nfs/dbraw/zinc/87/56/80/563875680.db2.gz PVLPNJNLAKQSCN-ACCUITESSA-N 0 0 321.380 3.629 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCc2ccccc21 ZINC000013012481 563876218 /nfs/dbraw/zinc/87/62/18/563876218.db2.gz CHAVFIYEQXTSCG-INIZCTEOSA-N 0 0 309.365 3.516 50 0 DHAARN CCC(CC)c1cc(CNC(=O)Nc2cccnc2Cl)on1 ZINC000075496812 563877287 /nfs/dbraw/zinc/87/72/87/563877287.db2.gz FPNLZONAQMFMGB-UHFFFAOYSA-N 0 0 322.796 3.948 50 0 DHAARN ON1[C@@H]2CCCC[C@@H]2N(O)[C@@H]1c1ccc(Cl)cc1Cl ZINC000245325593 563881591 /nfs/dbraw/zinc/88/15/91/563881591.db2.gz GBTQIQHSKGDVDJ-CLLJXQQHSA-N 0 0 303.189 3.699 50 0 DHAARN CC(C)C1CCC(Nc2ccccc2CC(=O)N(C)C)CC1 ZINC000092157245 563882321 /nfs/dbraw/zinc/88/23/21/563882321.db2.gz NWFJLESYCWOLSQ-UHFFFAOYSA-N 0 0 302.462 3.944 50 0 DHAARN CCn1c(CN[C@H]2CCOc3ccccc32)nc2ccccc21 ZINC000054041126 563882680 /nfs/dbraw/zinc/88/26/80/563882680.db2.gz DWIZOKZOSWEQIP-HNNXBMFYSA-N 0 0 307.397 3.670 50 0 DHAARN Cc1nc2c(cnn2C)c(Sc2ccc3ccccc3c2)n1 ZINC000054042627 563882711 /nfs/dbraw/zinc/88/27/11/563882711.db2.gz JMAPUXATSQSDOP-UHFFFAOYSA-N 0 0 306.394 3.976 50 0 DHAARN COc1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000002647424 563883036 /nfs/dbraw/zinc/88/30/36/563883036.db2.gz PFPINKYGPJFGFY-UHFFFAOYSA-N 0 0 309.287 3.684 50 0 DHAARN Cc1nc(-c2c(C)cc(C)nc2NC(=O)c2cccc(C)c2)no1 ZINC000075550934 563883902 /nfs/dbraw/zinc/88/39/02/563883902.db2.gz HXMJWEQRAIWDPD-UHFFFAOYSA-N 0 0 322.368 3.618 50 0 DHAARN Cc1ccc(C=CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)o1 ZINC000035767001 563884364 /nfs/dbraw/zinc/88/43/64/563884364.db2.gz LQVDGQLRPQHUED-PLSXKVAHSA-N 0 0 324.376 3.905 50 0 DHAARN CCc1onc(C)c1NC(=O)NCc1c(Cl)cccc1OC ZINC000192374280 563885594 /nfs/dbraw/zinc/88/55/94/563885594.db2.gz FJGAKIHUCBQYKT-UHFFFAOYSA-N 0 0 323.780 3.529 50 0 DHAARN O=C(Cc1cccc2ccccc21)NC[C@@H]1COc2ccccc21 ZINC000576260548 563885793 /nfs/dbraw/zinc/88/57/93/563885793.db2.gz JQEZALSDOQKXDH-QGZVFWFLSA-N 0 0 317.388 3.675 50 0 DHAARN CC1(C)[C@@]2(C(=O)Nc3cccc4ccccc43)CC[C@]1(C)C(=O)O2 ZINC000000308516 563886840 /nfs/dbraw/zinc/88/68/40/563886840.db2.gz LDXKDZPUJVLPHZ-UXHICEINSA-N 0 0 323.392 3.900 50 0 biogenic DHAARN CC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000000253535 563886894 /nfs/dbraw/zinc/88/68/94/563886894.db2.gz GYQQWGVGOLAXLO-UHFFFAOYSA-N 0 0 322.360 3.926 50 0 biogenic DHAARN COc1ccc(C(F)(F)c2nc(-c3ccsc3)no2)cc1 ZINC000089438920 563887160 /nfs/dbraw/zinc/88/71/60/563887160.db2.gz SMGGSCWCRCCDMV-UHFFFAOYSA-N 0 0 308.309 3.947 50 0 DHAARN Nc1nc(-c2ccccc2)c(C(=O)NC2CCCCCC2)s1 ZINC000031848519 563887506 /nfs/dbraw/zinc/88/75/06/563887506.db2.gz MUCZCFUGKNCCAH-UHFFFAOYSA-N 0 0 315.442 3.845 50 0 DHAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCCCC1)CC3 ZINC000008488003 563887710 /nfs/dbraw/zinc/88/77/10/563887710.db2.gz NLJLSEDTBLHNQT-UHFFFAOYSA-N 0 0 312.413 3.642 50 0 biogenic DHAARN C[C@H](SCC1(CO)COC1)c1ccc(Cl)cc1Cl ZINC000089603173 563910785 /nfs/dbraw/zinc/91/07/85/563910785.db2.gz VICVZHAYHWADMB-VIFPVBQESA-N 0 0 307.242 3.797 50 0 DHAARN CN(CC(F)(F)F)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000037987818 563890339 /nfs/dbraw/zinc/89/03/39/563890339.db2.gz CRARBAYXDFVRJC-UHFFFAOYSA-N 0 0 302.683 3.523 50 0 DHAARN CCOC(=O)N(C)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 ZINC000054312930 563891166 /nfs/dbraw/zinc/89/11/66/563891166.db2.gz MCNSLPBZKJLNEQ-ZDUSSCGKSA-N 0 0 302.374 3.574 50 0 DHAARN O=C(c1ccccc1Cl)N1CC(OCc2cccc(F)c2)C1 ZINC000064666038 563892193 /nfs/dbraw/zinc/89/21/93/563892193.db2.gz PQYNXNKBHUKZHS-UHFFFAOYSA-N 0 0 319.763 3.520 50 0 DHAARN COc1ccc(C)cc1NCC(=O)Nc1ccc(C)c(F)c1 ZINC000007972986 563892196 /nfs/dbraw/zinc/89/21/96/563892196.db2.gz MUPZYYKCXRGHJM-UHFFFAOYSA-N 0 0 302.349 3.502 50 0 DHAARN CC[C@@H](C)NC(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000036084040 563892674 /nfs/dbraw/zinc/89/26/74/563892674.db2.gz QEOJFTIFRSGWHX-SNVBAGLBSA-N 0 0 324.833 3.904 50 0 DHAARN CC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C)c1 ZINC000036095331 563893196 /nfs/dbraw/zinc/89/31/96/563893196.db2.gz IBPIVNYALHVNCP-LJQANCHMSA-N 0 0 313.441 3.777 50 0 DHAARN Cc1ccc(C)c(NC(=O)c2cc(C(C)C)n3nccc3n2)c1 ZINC000064760713 563893797 /nfs/dbraw/zinc/89/37/97/563893797.db2.gz APAQIMPFDNHBCC-UHFFFAOYSA-N 0 0 308.385 3.722 50 0 DHAARN COc1ccc(-c2ccnn3c(N)nc(-c4ccccc4)c23)cc1 ZINC000169681442 563895066 /nfs/dbraw/zinc/89/50/66/563895066.db2.gz AGTJGTUJBVCRPG-UHFFFAOYSA-N 0 0 316.364 3.654 50 0 DHAARN O=C1C[C@H](c2cccc(O)c2)c2ncn(-c3ccc(F)cc3)c2N1 ZINC000036354926 563895804 /nfs/dbraw/zinc/89/58/04/563895804.db2.gz GRXFIBXFATVHHT-OAHLLOKOSA-N 0 0 323.327 3.841 50 0 DHAARN O=C(Nc1ccc2cc[nH]c2c1)c1snnc1-c1ccccc1 ZINC000036357104 563896362 /nfs/dbraw/zinc/89/63/62/563896362.db2.gz WHZWSPQFYBNIOL-UHFFFAOYSA-N 0 0 320.377 3.939 50 0 DHAARN Cc1ccc(CNC(=O)c2cccc3c2SCCC3=O)cc1 ZINC000006841638 563896365 /nfs/dbraw/zinc/89/63/65/563896365.db2.gz GKWRXCUGYMOVTC-UHFFFAOYSA-N 0 0 311.406 3.604 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1cccc2c1SCCC2=O ZINC000006841439 563896390 /nfs/dbraw/zinc/89/63/90/563896390.db2.gz FVYVSOZDMBLOHI-UHFFFAOYSA-N 0 0 319.332 3.896 50 0 DHAARN O=C(NCCC1=CCCCC1)c1snnc1-c1ccccc1 ZINC000036358803 563896415 /nfs/dbraw/zinc/89/64/15/563896415.db2.gz WWOQZGFXAZLGDM-UHFFFAOYSA-N 0 0 313.426 3.825 50 0 DHAARN Cc1nc(NC2CC2)sc1C(=O)NCc1ccccc1Cl ZINC000036366821 563896667 /nfs/dbraw/zinc/89/66/67/563896667.db2.gz GDYFRKAEEQLYJE-UHFFFAOYSA-N 0 0 321.833 3.609 50 0 DHAARN CSc1ncccc1C(=O)NCCc1ccc(C(C)C)cc1 ZINC000006852438 563897132 /nfs/dbraw/zinc/89/71/32/563897132.db2.gz MDEDKPMQBIEDNC-UHFFFAOYSA-N 0 0 314.454 3.899 50 0 DHAARN Cn1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21 ZINC000036369800 563897144 /nfs/dbraw/zinc/89/71/44/563897144.db2.gz RDHPZPXGBVMOEZ-UHFFFAOYSA-N 0 0 317.392 3.632 50 0 biogenic DHAARN CSc1ccccc1C(=O)NCCOc1cccc(Cl)c1 ZINC000036395511 563898419 /nfs/dbraw/zinc/89/84/19/563898419.db2.gz FJADVPJMWXWJEH-UHFFFAOYSA-N 0 0 321.829 3.871 50 0 DHAARN CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000006887183 563898740 /nfs/dbraw/zinc/89/87/40/563898740.db2.gz KCEDLLKSMYNOQE-UHFFFAOYSA-N 0 0 323.801 3.652 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000036398735 563898894 /nfs/dbraw/zinc/89/88/94/563898894.db2.gz DFPCUBSLWAHWGF-MELADBBJSA-N 0 0 320.458 3.795 50 0 DHAARN Cc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cn1 ZINC000036396792 563898896 /nfs/dbraw/zinc/89/88/96/563898896.db2.gz DKMXJUMQNPAJBD-UHFFFAOYSA-N 0 0 310.328 3.719 50 0 DHAARN CC(C)c1ccc(-c2c(=O)c(=O)c2N(C)C2CCCCC2)cc1 ZINC000006893397 563898898 /nfs/dbraw/zinc/89/88/98/563898898.db2.gz ZNPSCICBSSQDHX-UHFFFAOYSA-N 0 0 311.425 3.842 50 0 DHAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)C4CC4)C3)n2)cc1 ZINC000065135471 563899661 /nfs/dbraw/zinc/89/96/61/563899661.db2.gz MJAVBRDHULUHSS-KRWDZBQOSA-N 0 0 321.424 3.568 50 0 DHAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)cc1 ZINC000065135470 563899698 /nfs/dbraw/zinc/89/96/98/563899698.db2.gz MJAVBRDHULUHSS-QGZVFWFLSA-N 0 0 321.424 3.568 50 0 DHAARN CCN(C(=O)Nc1cn(C)c(=O)c2ccccc12)c1ccccc1 ZINC000006932184 563899810 /nfs/dbraw/zinc/89/98/10/563899810.db2.gz TWTYHYURAUJROT-UHFFFAOYSA-N 0 0 321.380 3.597 50 0 DHAARN COc1cccc(-c2cc(C(=O)NC3CCCCCC3)[nH]n2)c1 ZINC000006942778 563900099 /nfs/dbraw/zinc/90/00/99/563900099.db2.gz WZHWDJOACCOHHN-UHFFFAOYSA-N 0 0 313.401 3.538 50 0 DHAARN O=C(CCCC(=O)c1ccccc1)Nc1ccc(Cl)cn1 ZINC000006946549 563900131 /nfs/dbraw/zinc/90/01/31/563900131.db2.gz NNVXBRDRQHCRCH-UHFFFAOYSA-N 0 0 302.761 3.727 50 0 DHAARN O=C(CCCC(=O)c1ccccc1)Nc1cc(F)ccc1F ZINC000006946758 563900137 /nfs/dbraw/zinc/90/01/37/563900137.db2.gz BVHVQXMWPNOSQX-UHFFFAOYSA-N 0 0 303.308 3.957 50 0 DHAARN CC[C@@H](C(=O)Nc1cc(-c2ccccn2)no1)c1ccccc1 ZINC000065152789 563900180 /nfs/dbraw/zinc/90/01/80/563900180.db2.gz IJMYWLHEOGXSNU-CQSZACIVSA-N 0 0 307.353 3.869 50 0 DHAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153189 563900323 /nfs/dbraw/zinc/90/03/23/563900323.db2.gz GDFKARWNVLPULX-LLVKDONJSA-N 0 0 314.366 3.809 50 0 DHAARN Cc1cccc(C(=O)N2CCC(CCOc3ccncc3)CC2)c1 ZINC000065181031 563900574 /nfs/dbraw/zinc/90/05/74/563900574.db2.gz NDNLICSINKYJJY-UHFFFAOYSA-N 0 0 324.424 3.711 50 0 DHAARN CN(Cc1ccccc1Cl)C(=O)c1cc(Cl)ccc1O ZINC000006993743 563900908 /nfs/dbraw/zinc/90/09/08/563900908.db2.gz YXMMKLCQBIXHRP-UHFFFAOYSA-N 0 0 310.180 3.971 50 0 DHAARN CCN(C(=O)[C@H](C)Sc1nc(C)cs1)c1ccccc1 ZINC000007007707 563901279 /nfs/dbraw/zinc/90/12/79/563901279.db2.gz QWLQWYBOAXJOGG-LBPRGKRZSA-N 0 0 306.456 3.985 50 0 DHAARN Cc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1C ZINC000007053044 563901804 /nfs/dbraw/zinc/90/18/04/563901804.db2.gz SDHAPTRJIKSUGA-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000002767255 563902535 /nfs/dbraw/zinc/90/25/35/563902535.db2.gz MCPITIDDFTXSRE-QGZVFWFLSA-N 0 0 303.427 3.733 50 0 DHAARN Cn1cccc1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000007088055 563902710 /nfs/dbraw/zinc/90/27/10/563902710.db2.gz QVHUIEPWLVFJBO-SFHVURJKSA-N 0 0 303.365 3.796 50 0 DHAARN COc1ccccc1N[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000007115946 563903021 /nfs/dbraw/zinc/90/30/21/563903021.db2.gz MNDILFFVCDJTTG-GFCCVEGCSA-N 0 0 314.385 3.526 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccc(F)c1 ZINC000007123995 563903718 /nfs/dbraw/zinc/90/37/18/563903718.db2.gz XFORCYGXCBGREE-UHFFFAOYSA-N 0 0 324.355 3.762 50 0 DHAARN CC(=O)c1ccc(NC(=O)CSCc2cccc(F)c2)cc1 ZINC000007145948 563903987 /nfs/dbraw/zinc/90/39/87/563903987.db2.gz GOLPUZLWFSNQKH-UHFFFAOYSA-N 0 0 317.385 3.900 50 0 DHAARN O=C(CSC/C=C/c1ccccc1)NCc1cccs1 ZINC000007150334 563904035 /nfs/dbraw/zinc/90/40/35/563904035.db2.gz XZURJMRYYPGXKG-XBXARRHUSA-N 0 0 303.452 3.811 50 0 DHAARN Cc1csc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000007195842 563904238 /nfs/dbraw/zinc/90/42/38/563904238.db2.gz DXJBXOXMQWPRGV-NWDGAFQWSA-N 0 0 318.467 3.910 50 0 DHAARN CCc1ccc2c(CC(=O)NCc3ccccc3OC)coc2c1 ZINC000007305530 563905080 /nfs/dbraw/zinc/90/50/80/563905080.db2.gz YQBKLVUXSZVTOI-UHFFFAOYSA-N 0 0 323.392 3.863 50 0 DHAARN ClC1(Cl)C[C@@H]1CSc1n[nH]c(-c2ccccc2)n1 ZINC000007294326 563905087 /nfs/dbraw/zinc/90/50/87/563905087.db2.gz WOECJLAAHDUCNI-SECBINFHSA-N 0 0 300.214 3.758 50 0 DHAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1C ZINC000007307983 563905161 /nfs/dbraw/zinc/90/51/61/563905161.db2.gz LSTODLBTWLMOJS-MRXNPFEDSA-N 0 0 317.454 3.960 50 0 DHAARN Cn1c2ccccc2c2cc(I)ccc21 ZINC000003127900 563905779 /nfs/dbraw/zinc/90/57/79/563905779.db2.gz UMCVEEUYGKMYLI-UHFFFAOYSA-N 0 0 307.134 3.936 50 0 DHAARN CSc1cccc(NC(=O)c2ccnc(OCC3CC3)c2)c1 ZINC000239611943 563905829 /nfs/dbraw/zinc/90/58/29/563905829.db2.gz FFYASBGOVXJXGV-UHFFFAOYSA-N 0 0 314.410 3.845 50 0 DHAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(Cl)ccn1 ZINC000037108979 563906119 /nfs/dbraw/zinc/90/61/19/563906119.db2.gz MDZLUCKVBAPTGR-UHFFFAOYSA-N 0 0 315.804 3.896 50 0 DHAARN Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1 ZINC000007404548 563906120 /nfs/dbraw/zinc/90/61/20/563906120.db2.gz BGCRLTDRWUMSQP-CQSZACIVSA-N 0 0 301.411 3.525 50 0 DHAARN O=C(CCc1ccccc1O)NCC12CC3CC(CC(C3)C1)C2 ZINC000007472091 563906536 /nfs/dbraw/zinc/90/65/36/563906536.db2.gz SRDXHQHESBDPJY-UHFFFAOYSA-N 0 0 313.441 3.657 50 0 DHAARN CCNc1ccc(Cl)cc1NC(=O)Cc1ccc(C)nc1 ZINC000170592980 563906739 /nfs/dbraw/zinc/90/67/39/563906739.db2.gz LVPCNXJJDLMCHK-UHFFFAOYSA-N 0 0 303.793 3.656 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1F ZINC000007491943 563906920 /nfs/dbraw/zinc/90/69/20/563906920.db2.gz DKANRKVBQBTJIO-UHFFFAOYSA-N 0 0 312.344 3.513 50 0 DHAARN Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccccc2)no1 ZINC000007494323 563906958 /nfs/dbraw/zinc/90/69/58/563906958.db2.gz PLSPIWFGNTVABJ-UHFFFAOYSA-N 0 0 305.381 3.998 50 0 DHAARN CC[C@H]1CN(c2ccccc2)CCN1c1ccnc(C(C)C)n1 ZINC000170596005 563907053 /nfs/dbraw/zinc/90/70/53/563907053.db2.gz XVHNECZRQZOVPV-INIZCTEOSA-N 0 0 310.445 3.705 50 0 DHAARN CC(=O)Nc1ccccc1CNc1ccccc1-n1nccc1C ZINC000170594385 563907059 /nfs/dbraw/zinc/90/70/59/563907059.db2.gz KMBHDQXIMYDZGL-UHFFFAOYSA-N 0 0 320.396 3.751 50 0 DHAARN O=C(OCc1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000007512058 563907281 /nfs/dbraw/zinc/90/72/81/563907281.db2.gz BHKVJNGBQXTGRX-UHFFFAOYSA-N 0 0 321.361 3.597 50 0 DHAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(F)c2)cc1 ZINC000007513510 563907283 /nfs/dbraw/zinc/90/72/83/563907283.db2.gz QEAAQORTMVSOIC-LBPRGKRZSA-N 0 0 315.344 3.572 50 0 DHAARN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC1CCCCCCC1 ZINC000170603929 563907286 /nfs/dbraw/zinc/90/72/86/563907286.db2.gz KWTQQFGEJCPDGV-MRXNPFEDSA-N 0 0 322.493 3.643 50 0 DHAARN Cc1nnc2c3ccccc3nc(Nc3cccc(C)c3C)n12 ZINC000007500039 563907328 /nfs/dbraw/zinc/90/73/28/563907328.db2.gz YDOUUILCFIXHFT-UHFFFAOYSA-N 0 0 303.369 3.946 50 0 DHAARN Clc1cccc(CCNc2nnc(-c3ccon3)s2)c1 ZINC000170603381 563907354 /nfs/dbraw/zinc/90/73/54/563907354.db2.gz BXZLDCFRMAAPCE-UHFFFAOYSA-N 0 0 306.778 3.501 50 0 DHAARN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Nc1ccsc1 ZINC000170605348 563907472 /nfs/dbraw/zinc/90/74/72/563907472.db2.gz DKOAXXFZDXCKHB-UHFFFAOYSA-N 0 0 315.398 3.593 50 0 DHAARN O=C(c1cnccn1)N1CC2(CCCC2)c2cccc(Cl)c21 ZINC000170612207 563907977 /nfs/dbraw/zinc/90/79/77/563907977.db2.gz IEDFAJANDPJJDR-UHFFFAOYSA-N 0 0 313.788 3.602 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1O ZINC000170613782 563908047 /nfs/dbraw/zinc/90/80/47/563908047.db2.gz OPCSJEZHYLCHAE-UHFFFAOYSA-N 0 0 308.337 3.972 50 0 DHAARN CC(C)(C)CCS(=O)(=O)N1CCC[C@H]1C1CCCCC1 ZINC000170626481 563908760 /nfs/dbraw/zinc/90/87/60/563908760.db2.gz YTUCAAWUNOHWNH-HNNXBMFYSA-N 0 0 301.496 3.797 50 0 DHAARN CC[C@H](OC1CCCC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000170626321 563908823 /nfs/dbraw/zinc/90/88/23/563908823.db2.gz FPEARBAKHOJYNE-HRWDSRQLSA-N 0 0 305.462 3.665 50 0 DHAARN COc1ccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000009909040 563909029 /nfs/dbraw/zinc/90/90/29/563909029.db2.gz YZIQOIZYJLIHKT-CXAGYDPISA-N 0 0 313.397 3.661 50 0 DHAARN CCOc1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 ZINC000071853665 563909453 /nfs/dbraw/zinc/90/94/53/563909453.db2.gz LEOLJWSDNZTIRV-UHFFFAOYSA-N 0 0 324.302 3.689 50 0 DHAARN COC(=O)[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccnc1 ZINC000152116320 563909993 /nfs/dbraw/zinc/90/99/93/563909993.db2.gz VFSAOFONXCAAQQ-IFXJQAMLSA-N 0 0 324.424 3.525 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Br)cs2)C1 ZINC000013746787 563910074 /nfs/dbraw/zinc/91/00/74/563910074.db2.gz ZYEBNDNOIQJAKR-RKDXNWHRSA-N 0 0 302.237 3.629 50 0 DHAARN O=C(CCSc1ccccc1F)Nc1ccc2c(c1)OCO2 ZINC000014135426 563910214 /nfs/dbraw/zinc/91/02/14/563910214.db2.gz FCFKAOMMRCONPS-UHFFFAOYSA-N 0 0 319.357 3.675 50 0 DHAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1cc2ccccc2o1 ZINC000014197916 563910361 /nfs/dbraw/zinc/91/03/61/563910361.db2.gz ZYLHCQILVNQUMT-GDNBJRDFSA-N 0 0 307.280 3.916 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3F)n[nH]2)cc1 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ZINC000089718585 563911117 /nfs/dbraw/zinc/91/11/17/563911117.db2.gz WTFTYWOFMUFYEH-LLVKDONJSA-N 0 0 300.387 3.558 50 0 DHAARN Fc1ccc(NCc2ccccn2)c(OCC(F)(F)F)c1 ZINC000089793418 563911358 /nfs/dbraw/zinc/91/13/58/563911358.db2.gz IAGLREFARQAHLJ-UHFFFAOYSA-N 0 0 300.255 3.774 50 0 DHAARN O=C(NC[C@H](O)c1ccncc1)c1ccc(C2CCCCC2)cc1 ZINC000089783329 563911356 /nfs/dbraw/zinc/91/13/56/563911356.db2.gz HBGUMKDDYGLFDS-IBGZPJMESA-N 0 0 324.424 3.593 50 0 DHAARN c1csc(-c2cc(COc3ccccc3-c3nc[nH]n3)no2)c1 ZINC000089821229 563911503 /nfs/dbraw/zinc/91/15/03/563911503.db2.gz LLDQJWFMLNAUHC-UHFFFAOYSA-N 0 0 324.365 3.767 50 0 DHAARN O=C(OCCc1cn[nH]c1)c1ccc(-c2ccccc2Cl)o1 ZINC000089821249 563911577 /nfs/dbraw/zinc/91/15/77/563911577.db2.gz LRXRFYIHCFZCAV-UHFFFAOYSA-N 0 0 316.744 3.723 50 0 DHAARN O=C(NCc1ccccn1)c1cccc(NCc2ccsc2)c1 ZINC000089883744 563911843 /nfs/dbraw/zinc/91/18/43/563911843.db2.gz MWYTUIYDXMNYCW-UHFFFAOYSA-N 0 0 323.421 3.685 50 0 DHAARN CC(C)c1csc(NC(=O)C[C@H]2OCCc3ccsc32)n1 ZINC000089893533 563911969 /nfs/dbraw/zinc/91/19/69/563911969.db2.gz XDTAHLRERIMBEW-GFCCVEGCSA-N 0 0 322.455 3.971 50 0 DHAARN COC(=O)C[C@@H](C)SCc1nc2ccccc2n1C(F)F ZINC000089894575 563911989 /nfs/dbraw/zinc/91/19/89/563911989.db2.gz MFSQUHPFDGGBIJ-SECBINFHSA-N 0 0 314.357 3.616 50 0 DHAARN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cccnc2)o1 ZINC000076066706 563912094 /nfs/dbraw/zinc/91/20/94/563912094.db2.gz CSLKGPJJXZNXAN-CJNGLKHVSA-N 0 0 313.401 3.666 50 0 DHAARN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccsc2)cs1 ZINC000076066790 563912137 /nfs/dbraw/zinc/91/21/37/563912137.db2.gz MDBZFTBRASVGSF-JTQLQIEISA-N 0 0 310.444 3.574 50 0 DHAARN CCc1c(Cl)nc(C)nc1N(C)CCOc1ccccc1F ZINC000076061599 563912217 /nfs/dbraw/zinc/91/22/17/563912217.db2.gz FFVRQJLIOQIKEW-UHFFFAOYSA-N 0 0 323.799 3.655 50 0 DHAARN C[C@H](OC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2n1C ZINC000076093115 563912360 /nfs/dbraw/zinc/91/23/60/563912360.db2.gz HVYHMUBURGLRFL-AWEZNQCLSA-N 0 0 320.392 3.909 50 0 DHAARN Cc1nc2ccc(NC(=O)N3CCC[C@H]3c3cccn3C)cc2o1 ZINC000076102415 563912526 /nfs/dbraw/zinc/91/25/26/563912526.db2.gz YBNRRUOYYDSCID-INIZCTEOSA-N 0 0 324.384 3.844 50 0 DHAARN COCCC(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000076448196 563912710 /nfs/dbraw/zinc/91/27/10/563912710.db2.gz UBMYZFQVDFVKTP-UHFFFAOYSA-N 0 0 307.337 3.624 50 0 DHAARN O=C(C[C@H](c1c[nH]c2ccccc21)C(F)(F)F)OCCF ZINC000006864827 563913776 /nfs/dbraw/zinc/91/37/76/563913776.db2.gz KMDRRNMWZJYKSS-LLVKDONJSA-N 0 0 303.255 3.717 50 0 DHAARN Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3C)n2)c1 ZINC000007720106 563913846 /nfs/dbraw/zinc/91/38/46/563913846.db2.gz LSJJNOLDQNJIBL-UHFFFAOYSA-N 0 0 321.380 3.626 50 0 DHAARN Cc1ccc(-c2noc(CN(C)C(=O)C3CCCCC3)n2)cc1 ZINC000007720707 563913863 /nfs/dbraw/zinc/91/38/63/563913863.db2.gz XMGLCNXKUHQXDN-UHFFFAOYSA-N 0 0 313.401 3.584 50 0 DHAARN COc1cc2c(cc1OC)/C(=C\c1ccc(C)cc1)C(=O)OC2 ZINC000002111448 563914221 /nfs/dbraw/zinc/91/42/21/563914221.db2.gz YIDGLCMYDHLEBC-LZYBPNLTSA-N 0 0 310.349 3.610 50 0 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312.413 3.976 50 0 DHAARN C[C@H](C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)C1CC1 ZINC000252506622 563916376 /nfs/dbraw/zinc/91/63/76/563916376.db2.gz WBRYYCLJDMNSJQ-NSHDSACASA-N 0 0 313.426 3.603 50 0 DHAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000252515061 563916660 /nfs/dbraw/zinc/91/66/60/563916660.db2.gz GNSFEGHOVRMYIN-VVLHAWIVSA-N 0 0 322.493 3.802 50 0 DHAARN CC(C)CCn1cc(C(=O)N2CCCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000252527460 563916804 /nfs/dbraw/zinc/91/68/04/563916804.db2.gz CPPXMNLQIJHNIA-RDJZCZTQSA-N 0 0 318.465 3.509 50 0 DHAARN CC(C)N(CC1CCC1)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000194065911 563916896 /nfs/dbraw/zinc/91/68/96/563916896.db2.gz ITBQEEQLCRLFRP-UHFFFAOYSA-N 0 0 318.465 3.718 50 0 DHAARN Cc1noc([C@H]2CCCN(Cc3csc(C(C)(C)C)n3)C2)n1 ZINC000054676386 563917075 /nfs/dbraw/zinc/91/70/75/563917075.db2.gz SDHHLGWXOCYPLX-LBPRGKRZSA-N 0 0 320.462 3.512 50 0 DHAARN Cc1cccc(NC(=O)CN2CC[C@H](C(F)(F)F)C2(C)C)c1 ZINC000252550136 563917096 /nfs/dbraw/zinc/91/70/96/563917096.db2.gz SAJTUORGUUSSOJ-ZDUSSCGKSA-N 0 0 314.351 3.596 50 0 DHAARN COc1ccc(CNc2ncnc3cccc(C)c32)c(OC)c1 ZINC000170652369 563917291 /nfs/dbraw/zinc/91/72/91/563917291.db2.gz ZAWKCGFKZCGTDR-UHFFFAOYSA-N 0 0 309.369 3.568 50 0 DHAARN CC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)c(F)c1 ZINC000007643721 563917674 /nfs/dbraw/zinc/91/76/74/563917674.db2.gz HYSXCWQKDXTDMK-UHFFFAOYSA-N 0 0 305.378 3.508 50 0 DHAARN CCNC(=O)c1cc2sc(C)cc2n1Cc1ccccc1F ZINC000037525935 563918295 /nfs/dbraw/zinc/91/82/95/563918295.db2.gz SDFBEPQPRCZECS-UHFFFAOYSA-N 0 0 316.401 3.948 50 0 DHAARN Cc1cccc(CN2CCN(c3ccccc3C)C(=O)[C@H]2C)c1 ZINC000037520194 563918371 /nfs/dbraw/zinc/91/83/71/563918371.db2.gz QLVASBLUASYGQU-QGZVFWFLSA-N 0 0 308.425 3.541 50 0 DHAARN Cc1cc2nc(NCc3ccc(F)cc3)c3ccccc3n2n1 ZINC000007735846 563918564 /nfs/dbraw/zinc/91/85/64/563918564.db2.gz VUOSOZZLCSKAIG-UHFFFAOYSA-N 0 0 306.344 3.942 50 0 DHAARN COc1ccc2cc(C(=O)N[C@@H](C)c3ccccn3)ccc2c1 ZINC000007736028 563918587 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/nfs/dbraw/zinc/91/95/98/563919598.db2.gz DTPIMPINPZGOAB-UHFFFAOYSA-N 0 0 318.376 3.634 50 0 DHAARN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N(C)Cc1nccs1)c1ccccc1 ZINC000195532571 563919669 /nfs/dbraw/zinc/91/96/69/563919669.db2.gz LSQSKXJBKGWEGH-INWMFGNUSA-N 0 0 315.442 3.682 50 0 DHAARN Cc1noc2ncnc(N(C)Cc3cccc(Cl)c3Cl)c12 ZINC000195505712 563919690 /nfs/dbraw/zinc/91/96/90/563919690.db2.gz VLEYODNVONZHNU-UHFFFAOYSA-N 0 0 323.183 3.869 50 0 DHAARN CC[NH+](CC)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000007813742 563919997 /nfs/dbraw/zinc/91/99/97/563919997.db2.gz IFBGTGGSPWOMSM-GOSISDBHSA-N 0 0 311.429 3.891 50 0 DHAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccccc2)cc1 ZINC000001981085 563920471 /nfs/dbraw/zinc/92/04/71/563920471.db2.gz FWIRVBAPKSAUOB-VOMSXAGXSA-N 0 0 309.365 3.579 50 0 DHAARN COc1ccc([C@@H](NC(=O)Cc2ccccc2F)C(C)C)cc1 ZINC000007923060 563920883 /nfs/dbraw/zinc/92/08/83/563920883.db2.gz XDBYIBJVWUCZOK-IBGZPJMESA-N 0 0 315.388 3.890 50 0 DHAARN COc1ccc([C@H](NC(=O)Cc2ccccc2F)C(C)C)cc1 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ZINC000253428732 563925287 /nfs/dbraw/zinc/92/52/87/563925287.db2.gz KWSYNFAWFOZJFH-UHFFFAOYSA-N 0 0 315.398 3.773 50 0 DHAARN Cc1c(CN(C)C(=O)[C@@H]2CCOC(C)(C)C2)[nH]c2ccccc12 ZINC000584886460 563925302 /nfs/dbraw/zinc/92/53/02/563925302.db2.gz WDZUSTACNDRWSM-CQSZACIVSA-N 0 0 314.429 3.640 50 0 DHAARN Cc1cccc(Cl)c1-c1ccc(C(=O)N(C)CCCO)cc1 ZINC000584892830 563925446 /nfs/dbraw/zinc/92/54/46/563925446.db2.gz MPGMCRXIVOKBSF-UHFFFAOYSA-N 0 0 317.816 3.770 50 0 DHAARN CCN(Cc1cccs1)Cc1cnc(Br)s1 ZINC000253431264 563925576 /nfs/dbraw/zinc/92/55/76/563925576.db2.gz UWCUNFUFAMPRFR-UHFFFAOYSA-N 0 0 317.277 3.989 50 0 DHAARN CC(C)CC[C@H](C[C@@H](C)O)C1N=NC(=S)N1c1ccccc1 ZINC000002303648 563925845 /nfs/dbraw/zinc/92/58/45/563925845.db2.gz UTESJULFGYSALG-ZIAGYGMSSA-N 0 0 319.474 3.847 50 0 DHAARN Cc1ccc(-c2nnc(CN(C)c3ccc(F)c(F)c3)o2)cc1 ZINC000055021707 563926103 /nfs/dbraw/zinc/92/61/03/563926103.db2.gz WOJITVQHQNLXGU-UHFFFAOYSA-N 0 0 315.323 3.960 50 0 DHAARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)C3=CC[C@@]21C ZINC000514278512 563927249 /nfs/dbraw/zinc/92/72/49/563927249.db2.gz SRCLPJHLUTVQMM-FYQPLNBISA-N 0 0 314.425 3.513 50 0 DHAARN CC(C)Cn1ccc2c1cccc2OCC(=O)Nc1ccncc1 ZINC000252510288 563927341 /nfs/dbraw/zinc/92/73/41/563927341.db2.gz ZGGDSFPPIXMSIL-UHFFFAOYSA-N 0 0 323.396 3.710 50 0 DHAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2cccc(C)c2)C1 ZINC000013136014 563927398 /nfs/dbraw/zinc/92/73/98/563927398.db2.gz GDRBYLYGDWJMBB-MRXNPFEDSA-N 0 0 312.413 3.778 50 0 DHAARN O=c1[nH]nc(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000008830194 563927484 /nfs/dbraw/zinc/92/74/84/563927484.db2.gz ZDMWDTNIEOVGRF-UHFFFAOYSA-N 0 0 305.164 3.821 50 0 DHAARN Cc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1C ZINC000002426802 563928467 /nfs/dbraw/zinc/92/84/67/563928467.db2.gz KEQFORLQPQDVPK-UHFFFAOYSA-N 0 0 321.380 3.925 50 0 DHAARN COc1ccc(C(=O)c2oc3ccc(N)cc3c2C)cc1OC ZINC000011731160 563928474 /nfs/dbraw/zinc/92/84/74/563928474.db2.gz FVAKHQORQVKPPS-UHFFFAOYSA-N 0 0 311.337 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/nfs/dbraw/zinc/93/41/93/563934193.db2.gz OGAYZDRRNPRVIH-LLVKDONJSA-N 0 0 304.415 3.758 50 0 DHAARN COc1ccc(CNc2nc(-c3ccsc3)ns2)cc1 ZINC000095990349 563934224 /nfs/dbraw/zinc/93/42/24/563934224.db2.gz WOZMKTDDVWIMNZ-UHFFFAOYSA-N 0 0 303.412 3.887 50 0 DHAARN Cc1ccc(SC2CCCC2)c(C(=O)N2CCC(O)CC2)c1 ZINC000095990184 563934259 /nfs/dbraw/zinc/93/42/59/563934259.db2.gz LSNLPQMLDLWSPF-UHFFFAOYSA-N 0 0 319.470 3.627 50 0 DHAARN Cc1cccc(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1 ZINC000095990497 563934264 /nfs/dbraw/zinc/93/42/64/563934264.db2.gz NGLZCBPMIUBSKM-ZDUSSCGKSA-N 0 0 310.401 3.847 50 0 DHAARN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(O)cc1F ZINC000095992999 563934335 /nfs/dbraw/zinc/93/43/35/563934335.db2.gz DNVOVOIQQUJAEU-HNNXBMFYSA-N 0 0 305.736 3.602 50 0 DHAARN CCOC[C@@H](C)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000095991593 563934464 /nfs/dbraw/zinc/93/44/64/563934464.db2.gz RAIXSVDIVSUOHC-OAHLLOKOSA-N 0 0 319.449 3.931 50 0 DHAARN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C(C)(C)O1 ZINC000095993884 563934487 /nfs/dbraw/zinc/93/44/87/563934487.db2.gz ALUPKYBXLPMEJV-BZPMIXESSA-N 0 0 323.383 3.531 50 0 DHAARN c1oc(-c2ccccc2)nc1Cc1nc([C@@H]2CCCCCN2)no1 ZINC000096001506 563934691 /nfs/dbraw/zinc/93/46/91/563934691.db2.gz AGOYFEVVVSSVGL-HNNXBMFYSA-N 0 0 324.384 3.520 50 0 DHAARN CCOCCN(C)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000096010722 563934911 /nfs/dbraw/zinc/93/49/11/563934911.db2.gz JUFRPLFRVZQHLZ-UHFFFAOYSA-N 0 0 319.430 3.619 50 0 DHAARN Cn1cc(/C=C\C(=O)OCc2ccc(-c3ccccc3)cc2)cn1 ZINC000096035506 563935241 /nfs/dbraw/zinc/93/52/41/563935241.db2.gz OYTQVFMTNWOFCZ-XFXZXTDPSA-N 0 0 318.376 3.844 50 0 DHAARN CO[C@@H](CNC(=O)/C=C/c1ccccc1Cl)c1ccsc1 ZINC000096097395 563935264 /nfs/dbraw/zinc/93/52/64/563935264.db2.gz AINSGZKFIIMZTG-LFAOLKIESA-N 0 0 321.829 3.919 50 0 DHAARN Cc1csc([C@H](NC(=O)/C=C\c2cccs2)C2CC2)n1 ZINC000096035196 563935314 /nfs/dbraw/zinc/93/53/14/563935314.db2.gz JNBFTTIEPUBSMV-LMVHVUTASA-N 0 0 304.440 3.794 50 0 DHAARN COc1ccccc1NC(=O)NC[C@@H](OC)c1ccccc1C 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Cc1noc(C)c1CC(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096224269 563936051 /nfs/dbraw/zinc/93/60/51/563936051.db2.gz SDZMDCDLQGPTAL-QGZVFWFLSA-N 0 0 323.396 3.509 50 0 DHAARN CC[C@H](C)[C@@H](NC(=O)CC(C)C)c1nc(-c2ccco2)no1 ZINC000096294042 563936105 /nfs/dbraw/zinc/93/61/05/563936105.db2.gz MEMMSNXVUWZPKQ-SMDDNHRTSA-N 0 0 305.378 3.579 50 0 DHAARN Nc1c(Oc2cccc(F)c2)ncnc1-c1ccc(F)cc1F ZINC000096282141 563936161 /nfs/dbraw/zinc/93/61/61/563936161.db2.gz LBUYBKCNTVQJGT-UHFFFAOYSA-N 0 0 317.270 3.935 50 0 DHAARN COc1ccccc1Oc1ncnc(-c2cccc(F)c2)c1N ZINC000096291845 563936162 /nfs/dbraw/zinc/93/61/62/563936162.db2.gz FVAXVDXYYNOZDK-UHFFFAOYSA-N 0 0 311.316 3.666 50 0 DHAARN O=C(/C=C\c1ccc2c(c1)OCO2)N[C@@H]1CCCc2ccccc21 ZINC000096298593 563936363 /nfs/dbraw/zinc/93/63/63/563936363.db2.gz XSZLXQMMASJQJP-FPISAVPCSA-N 0 0 321.376 3.622 50 0 DHAARN Cc1ccc(CNCc2csc(-c3cccs3)n2)cn1 ZINC000096403966 563936596 /nfs/dbraw/zinc/93/65/96/563936596.db2.gz AKOZYSKFEWUBJN-UHFFFAOYSA-N 0 0 301.440 3.865 50 0 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ABLZDMMLALPSDB-ZDUSSCGKSA-N 0 0 314.143 3.738 50 0 DHAARN CCOc1ccc2[nH]c(C)c(Cc3ccc(OC)cc3)c(=O)c2c1 ZINC000008740342 563950372 /nfs/dbraw/zinc/95/03/72/563950372.db2.gz OFPQBTQZTGQBJY-UHFFFAOYSA-N 0 0 323.392 3.835 50 0 biogenic DHAARN CCCNC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC000008734184 563950400 /nfs/dbraw/zinc/95/04/00/563950400.db2.gz VVOTUENMCRYSIL-UHFFFAOYSA-N 0 0 310.806 3.613 50 0 DHAARN COc1ccc(CC(=O)Nc2cccc3cccnc32)cc1F ZINC000008753181 563950506 /nfs/dbraw/zinc/95/05/06/563950506.db2.gz FFKJULJVMLUXJG-UHFFFAOYSA-N 0 0 310.328 3.564 50 0 DHAARN Cn1ccnc1Sc1ccc(NC(=O)c2cccs2)cc1 ZINC000008753304 563950550 /nfs/dbraw/zinc/95/05/50/563950550.db2.gz DCVRGOVMGJGODE-UHFFFAOYSA-N 0 0 315.423 3.885 50 0 DHAARN CCOc1ccccc1OCCOc1ccccc1OCC ZINC000008750486 563950575 /nfs/dbraw/zinc/95/05/75/563950575.db2.gz KYQJJTRZGQPMPN-UHFFFAOYSA-N 0 0 302.370 3.942 50 0 DHAARN COc1cc(C(=O)Nc2ccc(C)cc2O)ccc1OC(C)C ZINC000008762849 563950641 /nfs/dbraw/zinc/95/06/41/563950641.db2.gz GLWFMSUNTKBPBH-UHFFFAOYSA-N 0 0 315.369 3.749 50 0 DHAARN Cc1[nH]c(=S)sc1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000008775031 563950724 /nfs/dbraw/zinc/95/07/24/563950724.db2.gz CHUBWCOBZHWTOC-CYBMUJFWSA-N 0 0 318.467 3.850 50 0 DHAARN Cc1ccccc1NC(=O)Nc1nnc(-c2ccncc2)s1 ZINC000008856624 563950891 /nfs/dbraw/zinc/95/08/91/563950891.db2.gz AOCZKTXWENLZBH-UHFFFAOYSA-N 0 0 311.370 3.553 50 0 DHAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 ZINC000008856507 563950995 /nfs/dbraw/zinc/95/09/95/563950995.db2.gz LEQYWQZDRATZMI-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)CC(C)C)c(C)c1 ZINC000068547424 563951085 /nfs/dbraw/zinc/95/10/85/563951085.db2.gz NVNIIEHEZTXUSR-AWEZNQCLSA-N 0 0 319.449 3.643 50 0 DHAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccccn1 ZINC000068732379 563951187 /nfs/dbraw/zinc/95/11/87/563951187.db2.gz QSOVWHUBEXVWJW-AWEZNQCLSA-N 0 0 308.381 3.980 50 0 DHAARN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)C)c1 ZINC000008940002 563951473 /nfs/dbraw/zinc/95/14/73/563951473.db2.gz YACYMFMTBVZLQF-UHFFFAOYSA-N 0 0 323.371 3.689 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)c1 ZINC000008937081 563951474 /nfs/dbraw/zinc/95/14/74/563951474.db2.gz DQQRSWMLWFRQKS-UHFFFAOYSA-N 0 0 300.383 3.657 50 0 DHAARN Cc1ccccc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000008944604 563951561 /nfs/dbraw/zinc/95/15/61/563951561.db2.gz NOLSRLBLKVDUEN-HNNXBMFYSA-N 0 0 311.381 3.805 50 0 DHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000040150758 563951590 /nfs/dbraw/zinc/95/15/90/563951590.db2.gz KYPNSWLWCKHQSC-MRXNPFEDSA-N 0 0 309.413 3.554 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 ZINC000008959227 563951595 /nfs/dbraw/zinc/95/15/95/563951595.db2.gz AHVGEDLAWQWBTC-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN CN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1Cl ZINC000040158960 563951683 /nfs/dbraw/zinc/95/16/83/563951683.db2.gz HCRKUNSTHQKWKV-UHFFFAOYSA-N 0 0 314.168 3.624 50 0 DHAARN O=C(N=c1[nH]c2ccccc2[nH]1)c1cc2cc(Cl)ccc2o1 ZINC000009059938 563952025 /nfs/dbraw/zinc/95/20/25/563952025.db2.gz RLMSMGNOKLGMNY-UHFFFAOYSA-N 0 0 311.728 3.637 50 0 DHAARN CC[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1 ZINC000069200928 563952077 /nfs/dbraw/zinc/95/20/77/563952077.db2.gz UZWRNPUHPDVSOU-OAHLLOKOSA-N 0 0 312.417 3.585 50 0 DHAARN CC(C)[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000009058142 563952135 /nfs/dbraw/zinc/95/21/35/563952135.db2.gz HEQYLLSDPDVGEY-GFCCVEGCSA-N 0 0 316.426 3.775 50 0 DHAARN CCCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000009107388 563952319 /nfs/dbraw/zinc/95/23/19/563952319.db2.gz DBXVCZRTXZCZAP-UHFFFAOYSA-N 0 0 322.408 3.905 50 0 DHAARN COc1ccccc1CNC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000245284492 563952518 /nfs/dbraw/zinc/95/25/18/563952518.db2.gz SGIJDGOUBUOBKR-LSCCZHGCSA-N 0 0 311.381 3.741 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000009114614 563952535 /nfs/dbraw/zinc/95/25/35/563952535.db2.gz FKPWLOFFYKTHAH-HNNXBMFYSA-N 0 0 315.344 3.636 50 0 DHAARN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C)ccn1 ZINC000069381255 563952633 /nfs/dbraw/zinc/95/26/33/563952633.db2.gz FDLYRUMJLZMFPS-ZDUSSCGKSA-N 0 0 323.400 3.666 50 0 DHAARN Cc1cccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000069442721 563952738 /nfs/dbraw/zinc/95/27/38/563952738.db2.gz OQQBAQWXNXHTSB-HNNXBMFYSA-N 0 0 317.454 3.592 50 0 DHAARN Cc1noc(Cl)c1CC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000069491038 563953135 /nfs/dbraw/zinc/95/31/35/563953135.db2.gz USYYUPXOPYHGIU-AWEZNQCLSA-N 0 0 322.767 3.682 50 0 DHAARN CCCCN1C(=O)CCc2cc(NC(=O)c3ccco3)ccc21 ZINC000009136985 563953334 /nfs/dbraw/zinc/95/33/34/563953334.db2.gz COJWIRUUYZAKAP-UHFFFAOYSA-N 0 0 312.369 3.611 50 0 DHAARN CN(C(=O)[C@H]1CCOc2ccccc21)c1nc2ccccc2s1 ZINC000069530722 563953344 /nfs/dbraw/zinc/95/33/44/563953344.db2.gz IKDJVKSSGUQEQY-ZDUSSCGKSA-N 0 0 324.405 3.825 50 0 DHAARN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(C)cn1 ZINC000069533847 563953404 /nfs/dbraw/zinc/95/34/04/563953404.db2.gz MTXXCTUKMXQLKA-CYBMUJFWSA-N 0 0 323.400 3.666 50 0 DHAARN COc1ccc2c(CC(=O)Nc3ccc(F)c(F)c3)coc2c1 ZINC000009155319 563953596 /nfs/dbraw/zinc/95/35/96/563953596.db2.gz FCSHRRGIFWXAFA-UHFFFAOYSA-N 0 0 317.291 3.901 50 0 DHAARN O=C(Nn1cnc2ccccc21)c1cc2c(cccc2F)s1 ZINC000009155942 563953721 /nfs/dbraw/zinc/95/37/21/563953721.db2.gz UENMYVNFPOHKAS-UHFFFAOYSA-N 0 0 311.341 3.774 50 0 DHAARN CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)CCC ZINC000009159954 563953822 /nfs/dbraw/zinc/95/38/22/563953822.db2.gz HBBMXJKVIXJOCE-UHFFFAOYSA-N 0 0 314.429 3.765 50 0 DHAARN O=C(c1cc2ccccc2s1)N1CCC[C@H](n2ccnc2)C1 ZINC000069657285 563953985 /nfs/dbraw/zinc/95/39/85/563953985.db2.gz YUFPIYUOBROIKX-AWEZNQCLSA-N 0 0 311.410 3.575 50 0 DHAARN C[C@@H](S[C@H]1CCCc2ccccc21)C(=O)Nc1ncccn1 ZINC000069698382 563954125 /nfs/dbraw/zinc/95/41/25/563954125.db2.gz MGWUAZSJQBZICI-DOMZBBRYSA-N 0 0 313.426 3.614 50 0 DHAARN CSc1ccccc1NC(=O)N1CCc2ccc(O)cc2C1 ZINC000069737100 563954339 /nfs/dbraw/zinc/95/43/39/563954339.db2.gz KAWBLISGTRFCFU-UHFFFAOYSA-N 0 0 314.410 3.704 50 0 DHAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CC(F)(F)F)C(C)C ZINC000069738779 563954393 /nfs/dbraw/zinc/95/43/93/563954393.db2.gz VJUXGXVJOXTEGT-STQMWFEESA-N 0 0 315.335 3.598 50 0 DHAARN NC(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000069773220 563954499 /nfs/dbraw/zinc/95/44/99/563954499.db2.gz CUYPGTSFYWIBTD-UHFFFAOYSA-N 0 0 324.767 3.844 50 0 DHAARN Fc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000009301148 563954691 /nfs/dbraw/zinc/95/46/91/563954691.db2.gz LRHLPJIKXHATSU-UHFFFAOYSA-N 0 0 305.316 3.698 50 0 DHAARN COc1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)c1 ZINC000009322232 563955233 /nfs/dbraw/zinc/95/52/33/563955233.db2.gz PROIGGYYAJXZPG-UHFFFAOYSA-N 0 0 314.366 3.974 50 0 DHAARN O=C(CCc1cccnc1)Nc1nc2c(cc(F)cc2F)s1 ZINC000009368661 563955527 /nfs/dbraw/zinc/95/55/27/563955527.db2.gz LDOCGPVDKQFNLO-UHFFFAOYSA-N 0 0 319.336 3.541 50 0 DHAARN COc1ccc2cc([C@H](C)C(=O)NCc3ccncc3)ccc2c1 ZINC000009368902 563955540 /nfs/dbraw/zinc/95/55/40/563955540.db2.gz RXDVETYQBWUFJY-AWEZNQCLSA-N 0 0 320.392 3.663 50 0 DHAARN Cc1ccccc1-n1cnnc1SCc1cn2ccccc2n1 ZINC000009367194 563955563 /nfs/dbraw/zinc/95/55/63/563955563.db2.gz NFBAFEFFEFVWLZ-UHFFFAOYSA-N 0 0 321.409 3.516 50 0 DHAARN CC(C)(C)C(=O)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 ZINC000070007411 563955672 /nfs/dbraw/zinc/95/56/72/563955672.db2.gz TULSWOITZBIWMO-UHFFFAOYSA-N 0 0 323.352 3.750 50 0 DHAARN C[C@H]1C[C@@H]1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000009367388 563955687 /nfs/dbraw/zinc/95/56/87/563955687.db2.gz TWCMYQIIFFNSAX-CABZTGNLSA-N 0 0 315.373 3.796 50 0 DHAARN O=C(Cc1ccsc1)Nc1ccccc1OC(F)(F)F ZINC000009389940 563955821 /nfs/dbraw/zinc/95/58/21/563955821.db2.gz DHCNWOUPFRECON-UHFFFAOYSA-N 0 0 301.289 3.828 50 0 DHAARN CCCNC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000070038995 563955882 /nfs/dbraw/zinc/95/58/82/563955882.db2.gz MAAYBVKDAZCJJD-WPUWVODUSA-N 0 0 320.436 3.993 50 0 DHAARN CCCCn1c(C)c(C)c2c1ncnc2NCc1ccccn1 ZINC000009423574 563955988 /nfs/dbraw/zinc/95/59/88/563955988.db2.gz UXBKKJLQYHMMHL-UHFFFAOYSA-N 0 0 309.417 3.855 50 0 DHAARN O=C(CCc1nc2ccccc2s1)NCCc1cccs1 ZINC000009455387 563955995 /nfs/dbraw/zinc/95/59/95/563955995.db2.gz JAJIQAWEUBVXLC-UHFFFAOYSA-N 0 0 316.451 3.649 50 0 DHAARN Cc1c(C)n(CC(C)C)c2ncnc(NCc3ccccn3)c12 ZINC000009423271 563956007 /nfs/dbraw/zinc/95/60/07/563956007.db2.gz JAYGCCBSGHPLJE-UHFFFAOYSA-N 0 0 309.417 3.711 50 0 DHAARN Cc1ccc(C(=O)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000009453907 563956018 /nfs/dbraw/zinc/95/60/18/563956018.db2.gz VFIIIVHUTTYNRX-UHFFFAOYSA-N 0 0 322.389 3.940 50 0 DHAARN COc1ccc(C)cc1CC(=O)Nc1cc(Cl)ccc1F ZINC000009478829 563956184 /nfs/dbraw/zinc/95/61/84/563956184.db2.gz QAYCTIGVPSAQCD-UHFFFAOYSA-N 0 0 307.752 3.977 50 0 DHAARN Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H]1CCCO1 ZINC000009483480 563956193 /nfs/dbraw/zinc/95/61/93/563956193.db2.gz KRRASGBEJZPKTF-AWEZNQCLSA-N 0 0 309.365 3.803 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000009455970 563956195 /nfs/dbraw/zinc/95/61/95/563956195.db2.gz BDTQMFHHDSGXDR-UHFFFAOYSA-N 0 0 316.307 3.566 50 0 DHAARN Cc1cccc(-c2ocnc2C(=O)NCc2ccc(F)cc2)c1 ZINC000009527354 563956656 /nfs/dbraw/zinc/95/66/56/563956656.db2.gz ASNZJOFQIGTACH-UHFFFAOYSA-N 0 0 310.328 3.719 50 0 DHAARN Cc1noc(C)c1Cc1ccc(C(=O)NCc2ccc(C)cc2)o1 ZINC000009528861 563956715 /nfs/dbraw/zinc/95/67/15/563956715.db2.gz ZQDGXQDUAYWIFM-UHFFFAOYSA-N 0 0 324.380 3.714 50 0 DHAARN CCOC(=O)Nc1cccc(C(=O)NC2CCC(C)CC2)c1 ZINC000009549314 563956804 /nfs/dbraw/zinc/95/68/04/563956804.db2.gz IAVJIAOTEVXYSA-UHFFFAOYSA-N 0 0 304.390 3.564 50 0 DHAARN Cc1cc(C)cc(-n2ncc3c2ncnc3N2CCC(C)CC2)c1 ZINC000009627408 563957169 /nfs/dbraw/zinc/95/71/69/563957169.db2.gz YASJYTVOHVDTQH-UHFFFAOYSA-N 0 0 321.428 3.669 50 0 DHAARN CCOC(=O)c1oc2cc(NC(=O)C(C)(C)C)ccc2c1C ZINC000009659885 563957264 /nfs/dbraw/zinc/95/72/64/563957264.db2.gz ZBFMLIBFTDJROH-UHFFFAOYSA-N 0 0 303.358 3.903 50 0 DHAARN CCOC(=O)c1sc2nc(C)nc(NCC(C)C)c2c1C ZINC000009666071 563957346 /nfs/dbraw/zinc/95/73/46/563957346.db2.gz CFUPPJJJCCHZAT-UHFFFAOYSA-N 0 0 307.419 3.553 50 0 DHAARN CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 ZINC000009726632 563957585 /nfs/dbraw/zinc/95/75/85/563957585.db2.gz NMSABTLKWHBBAV-CYBMUJFWSA-N 0 0 321.417 3.818 50 0 DHAARN O=C(NC1CC1)c1ccc(CSCc2ccccc2F)o1 ZINC000071116754 563957806 /nfs/dbraw/zinc/95/78/06/563957806.db2.gz ORFDIPHWSNZTQN-UHFFFAOYSA-N 0 0 305.374 3.744 50 0 DHAARN COc1ccc(C)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000009953231 563957922 /nfs/dbraw/zinc/95/79/22/563957922.db2.gz MNAVLKVSYOQSQK-UHFFFAOYSA-N 0 0 324.384 3.582 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1ccccc1 ZINC000009895880 563958020 /nfs/dbraw/zinc/95/80/20/563958020.db2.gz WIVKJCFYFPABSG-GOSISDBHSA-N 0 0 319.408 3.859 50 0 DHAARN Cc1ccc(-c2ccsc2C(=O)NC2=NCCS2)cc1 ZINC000010032568 563958138 /nfs/dbraw/zinc/95/81/38/563958138.db2.gz XXYINMDXQHDJGT-UHFFFAOYSA-N 0 0 302.424 3.556 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1 ZINC000010061059 563958181 /nfs/dbraw/zinc/95/81/81/563958181.db2.gz DLONOEWEFMPONW-UHFFFAOYSA-N 0 0 323.801 3.759 50 0 DHAARN CSc1ccccc1NC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000010326721 563958511 /nfs/dbraw/zinc/95/85/11/563958511.db2.gz YFSYGDPEUVRVOP-UHFFFAOYSA-N 0 0 314.410 3.603 50 0 DHAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000071796719 563958615 /nfs/dbraw/zinc/95/86/15/563958615.db2.gz BAZLMZOEQBZFAC-IPMKNSEASA-N 0 0 323.440 3.504 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1cccnc1)N1CCCCCC1 ZINC000071799681 563958866 /nfs/dbraw/zinc/95/88/66/563958866.db2.gz MTQKJMVGMKQWMA-GOSISDBHSA-N 0 0 309.413 3.757 50 0 DHAARN CCCCC[C@@H](C)NC(=O)CN(C)Cc1cccc(Cl)c1 ZINC000071862897 563959484 /nfs/dbraw/zinc/95/94/84/563959484.db2.gz PZMLCTIOVSLGEQ-CQSZACIVSA-N 0 0 310.869 3.857 50 0 DHAARN CSC[C@H](C)N(C)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000077468733 563960653 /nfs/dbraw/zinc/96/06/53/563960653.db2.gz AGOIUCMTZWCAFR-NSHDSACASA-N 0 0 319.430 3.865 50 0 DHAARN CC[C@H](C)CN(C)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000077446700 563960685 /nfs/dbraw/zinc/96/06/85/563960685.db2.gz ZZCLRGSUZSLCHO-ZDUSSCGKSA-N 0 0 300.406 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/nfs/dbraw/zinc/61/13/12/190611312.db2.gz UFEOROKVNHISKV-UHFFFAOYSA-N 0 0 306.325 3.913 50 0 DHAARN COC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000000138241 190612467 /nfs/dbraw/zinc/61/24/67/190612467.db2.gz XGKBGPIFTCAWAZ-UHFFFAOYSA-N 0 0 321.170 3.815 50 0 DHAARN COC(=O)[C@@H](C(C)=O)C1c2ccccc2Sc2ccccc21 ZINC000000209173 190613057 /nfs/dbraw/zinc/61/30/57/190613057.db2.gz CFYIGZAFWPXVOV-INIZCTEOSA-N 0 0 312.390 3.661 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F ZINC000005555235 190621963 /nfs/dbraw/zinc/62/19/63/190621963.db2.gz BKVRCEBUEDTNNP-UHFFFAOYSA-N 0 0 309.243 3.686 50 0 DHAARN C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000006231858 190622419 /nfs/dbraw/zinc/62/24/19/190622419.db2.gz NVESGCWSTLREST-GFCCVEGCSA-N 0 0 323.314 3.962 50 0 DHAARN CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nc(C)cs1 ZINC000007195416 190628301 /nfs/dbraw/zinc/62/83/01/190628301.db2.gz VCRBWCVVVPQLST-WDEREUQCSA-N 0 0 324.475 3.738 50 0 DHAARN Cc1nc([C@@H](C)N(C)C(=O)c2cccc(N(C)C)c2)c(C)s1 ZINC000082137416 192360167 /nfs/dbraw/zinc/36/01/67/192360167.db2.gz AASMBAXPLOYUGO-LLVKDONJSA-N 0 0 317.458 3.659 50 0 DHAARN CCOc1ccc(CN2CCCC[C@H]2c2ncc[nH]2)cc1OC ZINC000092729926 185336674 /nfs/dbraw/zinc/33/66/74/185336674.db2.gz IIBYNMAVASCSMM-HNNXBMFYSA-N 0 0 315.417 3.544 50 0 DHAARN CC(C)c1nc(CN(C)C(=O)c2cc(F)ccc2F)cs1 ZINC000082120707 192359412 /nfs/dbraw/zinc/35/94/12/192359412.db2.gz JVAWCGRJPQKXOD-UHFFFAOYSA-N 0 0 310.369 3.817 50 0 DHAARN Cc1noc2nc(C)nc(NCCCSCc3ccco3)c12 ZINC000095390152 185351093 /nfs/dbraw/zinc/35/10/93/185351093.db2.gz VLDDJDSQIJIZCY-UHFFFAOYSA-N 0 0 318.402 3.563 50 0 DHAARN O=C(Nc1nc(C2CC2)cs1)[C@@H]1CSc2ccccc2O1 ZINC000095392995 185351977 /nfs/dbraw/zinc/35/19/77/185351977.db2.gz BGUOTPNBONLBCC-LBPRGKRZSA-N 0 0 318.423 3.512 50 0 DHAARN C[C@H]1C[C@@H](Nc2ccc(OCc3ccco3)c(Cl)c2)C(=O)O1 ZINC000095395934 185352731 /nfs/dbraw/zinc/35/27/31/185352731.db2.gz FFMRXFYGNQTBRU-IINYFYTJSA-N 0 0 321.760 3.628 50 0 DHAARN C[C@@H]1C[C@@H](Nc2ccc(OCc3ccco3)c(Cl)c2)C(=O)O1 ZINC000095395933 185352805 /nfs/dbraw/zinc/35/28/05/185352805.db2.gz FFMRXFYGNQTBRU-QMTHXVAHSA-N 0 0 321.760 3.628 50 0 DHAARN O=C(Nc1ncccc1-c1ccccc1)[C@H]1CSCCS1 ZINC000181439427 199296994 /nfs/dbraw/zinc/29/69/94/199296994.db2.gz YPHBRAPSKHWDJQ-CQSZACIVSA-N 0 0 316.451 3.536 50 0 DHAARN Cc1ccc(CCC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000095405755 185355795 /nfs/dbraw/zinc/35/57/95/185355795.db2.gz CISYWUGJWSWHJQ-CHWSQXEVSA-N 0 0 303.324 3.758 50 0 DHAARN C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ncc(C(C)(C)C)o1 ZINC000095406473 185356002 /nfs/dbraw/zinc/35/60/02/185356002.db2.gz KXDDVYYLKVHQQY-SECBINFHSA-N 0 0 321.808 3.898 50 0 DHAARN CC[C@H](c1ccc(F)cc1F)[S@](=O)C[C@@H]1CCCCO1 ZINC000095407425 185356257 /nfs/dbraw/zinc/35/62/57/185356257.db2.gz SABMURBEWQUDKQ-VHPWJVAPSA-N 0 0 302.386 3.734 50 0 DHAARN O=C(CC1=CCCCC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000095412640 185358025 /nfs/dbraw/zinc/35/80/25/185358025.db2.gz VKVLZCGABVLWFR-HZPDHXFCSA-N 0 0 303.402 3.585 50 0 DHAARN Cc1nc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)oc1C ZINC000095415063 185358657 /nfs/dbraw/zinc/35/86/57/185358657.db2.gz HCCVBMLVLGTFRT-CYBMUJFWSA-N 0 0 315.373 3.715 50 0 DHAARN Fc1ccc(-c2ccco2)cc1NCc1cn2cccnc2n1 ZINC000095418007 185359565 /nfs/dbraw/zinc/35/95/65/185359565.db2.gz FMLXWLKRCAUVCC-UHFFFAOYSA-N 0 0 308.316 3.741 50 0 DHAARN C[S@](=O)c1ccc(CNc2cnccc2OC(C)(C)C)cc1 ZINC000095436196 185364825 /nfs/dbraw/zinc/36/48/25/185364825.db2.gz MWGYWHNNQBPXSS-JOCHJYFZSA-N 0 0 318.442 3.608 50 0 DHAARN Cc1noc(C)c1[C@H](C)CC(=O)N1CCc2cccc(F)c21 ZINC000095436258 185365005 /nfs/dbraw/zinc/36/50/05/185365005.db2.gz VPEMQGCVTINKMI-SNVBAGLBSA-N 0 0 302.349 3.513 50 0 DHAARN Cc1nnc([C@H](N[C@@H]2CCc3ccc(C)cc32)c2ccccc2)[nH]1 ZINC000095421732 185360765 /nfs/dbraw/zinc/36/07/65/185360765.db2.gz AMSPZROQRILBRP-RTBURBONSA-N 0 0 318.424 3.788 50 0 DHAARN Cc1nnc([C@@H](N[C@@H]2CCCc3sccc32)c2ccccc2)[nH]1 ZINC000095421727 185360943 /nfs/dbraw/zinc/36/09/43/185360943.db2.gz KCQFDRQMUZYEPX-WBVHZDCISA-N 0 0 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304.419 3.520 50 0 DHAARN Cc1cc(CSCC(=O)Nc2ccc(F)cc2Cl)no1 ZINC000027190413 190653589 /nfs/dbraw/zinc/65/35/89/190653589.db2.gz OLKDCKRTXIYZMV-UHFFFAOYSA-N 0 0 314.769 3.647 50 0 DHAARN O=C(NCCc1cccnc1)c1cc2c(s1)CCCCCC2 ZINC000032349044 190658676 /nfs/dbraw/zinc/65/86/76/190658676.db2.gz JUUUTNREPYKMEK-UHFFFAOYSA-N 0 0 314.454 3.775 50 0 DHAARN O=C(CCOCc1ccccc1)N1CCC(c2ccccc2)CC1 ZINC000040157270 190665738 /nfs/dbraw/zinc/66/57/38/190665738.db2.gz ZRGWDZLPMGNUNF-UHFFFAOYSA-N 0 0 323.436 4.000 50 0 DHAARN CC(C)Cn1cc(C(=O)Oc2ccccc2)c2ccccc2c1=O ZINC000064666549 190704384 /nfs/dbraw/zinc/70/43/84/190704384.db2.gz KZHILULEPGANFB-UHFFFAOYSA-N 0 0 321.376 3.877 50 0 DHAARN Cc1ccc(NC(=O)c2cc(C(C)C)n3nccc3n2)cc1C ZINC000064760762 190704633 /nfs/dbraw/zinc/70/46/33/190704633.db2.gz GRMTYCIRISZBKP-UHFFFAOYSA-N 0 0 308.385 3.722 50 0 DHAARN CCCn1nnc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc21 ZINC000064818601 190705626 /nfs/dbraw/zinc/70/56/26/190705626.db2.gz OKQFIZIBJGXWLF-UHFFFAOYSA-N 0 0 308.385 3.710 50 0 DHAARN C[C@@H](OCCc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000170604737 197787052 /nfs/dbraw/zinc/78/70/52/197787052.db2.gz LFBKZEJEPLKYQT-JKSUJKDBSA-N 0 0 309.409 3.612 50 0 DHAARN C[C@@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(Cl)cc1 ZINC000083476825 192370762 /nfs/dbraw/zinc/37/07/62/192370762.db2.gz XMMXWWMMXMEOHN-LLVKDONJSA-N 0 0 303.793 3.610 50 0 DHAARN CC(C)n1ccc2ccc(C(=O)N[C@H]3CCOC(C)(C)C3)cc21 ZINC000170625027 197795156 /nfs/dbraw/zinc/79/51/56/197795156.db2.gz NIVRWAIMYXEISI-INIZCTEOSA-N 0 0 314.429 3.910 50 0 DHAARN O=Cc1ccc(C(=O)N2Cc3ccccc3-c3ccccc3C2)[nH]1 ZINC000170653488 197800685 /nfs/dbraw/zinc/80/06/85/197800685.db2.gz HBAFRAJOXXEXTF-UHFFFAOYSA-N 0 0 316.360 3.650 50 0 DHAARN CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccoc1 ZINC000068774468 190782070 /nfs/dbraw/zinc/78/20/70/190782070.db2.gz AKFKWXKKUIREOT-UHFFFAOYSA-N 0 0 302.330 3.879 50 0 DHAARN O=C(Nc1cccnc1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000069656845 190803188 /nfs/dbraw/zinc/80/31/88/190803188.db2.gz IWLLREMRTHJNAK-UHFFFAOYSA-N 0 0 313.357 3.520 50 0 DHAARN C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(Cl)c1 ZINC000069808413 190821450 /nfs/dbraw/zinc/82/14/50/190821450.db2.gz HSSRBVDLWLGQTB-XUSGNXJCSA-N 0 0 321.829 3.616 50 0 DHAARN CC(C)Cn1cc(C(=O)Nc2ncccc2O)c2ccccc21 ZINC000069879870 190834415 /nfs/dbraw/zinc/83/44/15/190834415.db2.gz CWFKOZWGNXLLDU-UHFFFAOYSA-N 0 0 309.369 3.650 50 0 DHAARN CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(F)cc1 ZINC000080344815 192149935 /nfs/dbraw/zinc/14/99/35/192149935.db2.gz SKTQIUUYDKMAKM-INIZCTEOSA-N 0 0 301.361 3.722 50 0 DHAARN C[C@H](NCc1cccn1C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000080342440 192150089 /nfs/dbraw/zinc/15/00/89/192150089.db2.gz HQOWGNYBTYBXES-NSHDSACASA-N 0 0 316.792 3.579 50 0 DHAARN C[C@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(F)cc1 ZINC000080344831 192150209 /nfs/dbraw/zinc/15/02/09/192150209.db2.gz RFTAIGSHRDHHFI-LLVKDONJSA-N 0 0 307.752 3.676 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000080345238 192150578 /nfs/dbraw/zinc/15/05/78/192150578.db2.gz PDFLDYOYTDFPTO-IAGOWNOFSA-N 0 0 323.392 3.817 50 0 DHAARN Cc1c2ccc(C)cc2oc1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000071195579 190940588 /nfs/dbraw/zinc/94/05/88/190940588.db2.gz OMZVKOIYTCVJAA-OAHLLOKOSA-N 0 0 323.396 3.591 50 0 DHAARN Cc1noc2ncc(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)cc12 ZINC000084148673 192407371 /nfs/dbraw/zinc/40/73/71/192407371.db2.gz JGCNYKHYWZAUNG-QGZVFWFLSA-N 0 0 321.380 3.721 50 0 DHAARN Nc1c(Cl)cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1Cl ZINC000084422142 192429221 /nfs/dbraw/zinc/42/92/21/192429221.db2.gz SZFIJRCVESPJND-WDEREUQCSA-N 0 0 322.195 3.713 50 0 DHAARN CCCC(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071748035 191020420 /nfs/dbraw/zinc/02/04/20/191020420.db2.gz ASPXDKZZJXRYRU-SFHVURJKSA-N 0 0 313.397 3.548 50 0 DHAARN CCc1ccc(-c2nccn2CCc2nc(C)c(C)s2)nc1 ZINC000071754607 191024934 /nfs/dbraw/zinc/02/49/34/191024934.db2.gz RYBHBNHMAKZAGJ-UHFFFAOYSA-N 0 0 312.442 3.824 50 0 DHAARN C[C@@H](C(=O)Nc1ccccc1SC1CCCC1)n1cncn1 ZINC000071903394 191032470 /nfs/dbraw/zinc/03/24/70/191032470.db2.gz HDVHHFQYUJAASX-LBPRGKRZSA-N 0 0 316.430 3.513 50 0 DHAARN O=c1oc2ccc(Br)cc2cc1-c1cccnc1 ZINC000071769982 191030559 /nfs/dbraw/zinc/03/05/59/191030559.db2.gz NNOZSJQICUXODM-UHFFFAOYSA-N 0 0 302.127 3.618 50 0 DHAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1cc(Cl)ccc1F ZINC000072117216 191038996 /nfs/dbraw/zinc/03/89/96/191038996.db2.gz IVERFAZVCVAZEE-SNVBAGLBSA-N 0 0 307.756 3.731 50 0 DHAARN COc1cccc(OCc2nc(-c3cccs3)no2)c1C ZINC000072121571 191040231 /nfs/dbraw/zinc/04/02/31/191040231.db2.gz DAHQSBIHIHUZSN-UHFFFAOYSA-N 0 0 302.355 3.694 50 0 DHAARN CC(C)C[C@H]1CN(C(=O)c2coc3ccccc23)CC[C@@]1(C)O ZINC000072136992 191045914 /nfs/dbraw/zinc/04/59/14/191045914.db2.gz DTVCUSGTRHBZDG-IFXJQAMLSA-N 0 0 315.413 3.692 50 0 DHAARN CCc1nc2c(cnn2C)c(N[C@H](CC)c2cccs2)n1 ZINC000072143797 191050050 /nfs/dbraw/zinc/05/00/50/191050050.db2.gz MGXBYBQXTDDDEX-LLVKDONJSA-N 0 0 301.419 3.550 50 0 DHAARN CCCc1cc(N[C@H](c2ccccn2)C(C)C)n2nccc2n1 ZINC000072146425 191053295 /nfs/dbraw/zinc/05/32/95/191053295.db2.gz LZTMLWSFROBGMY-SFHVURJKSA-N 0 0 309.417 3.886 50 0 DHAARN c1[nH]nc(-c2cc3ccccc3o2)c1-c1nc2cccnc2[nH]1 ZINC000072150016 191055807 /nfs/dbraw/zinc/05/58/07/191055807.db2.gz MCNVPGZASJPJBN-UHFFFAOYSA-N 0 0 301.309 3.761 50 0 DHAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000072140603 191048603 /nfs/dbraw/zinc/04/86/03/191048603.db2.gz YDGIHORUIABLAF-LBPRGKRZSA-N 0 0 303.793 3.766 50 0 DHAARN Clc1ccc(CN2CCCN(Cc3ccncc3)CC2)s1 ZINC000072162863 191063296 /nfs/dbraw/zinc/06/32/96/191063296.db2.gz PVTWPUVDWCIRPL-UHFFFAOYSA-N 0 0 321.877 3.504 50 0 DHAARN C[C@H]1NC(=O)O[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000072194116 191072999 /nfs/dbraw/zinc/07/29/99/191072999.db2.gz OHIDCVTXTYVGRO-MLUIRONXSA-N 0 0 313.197 3.894 50 0 DHAARN CCOc1cc(C(=O)NCc2ccccc2F)cc2occc21 ZINC000072240115 191084308 /nfs/dbraw/zinc/08/43/08/191084308.db2.gz VPXYWFPGBASGSP-UHFFFAOYSA-N 0 0 313.328 3.901 50 0 DHAARN Cc1c2cc(C)ccc2oc1C(=O)NCC[C@@H](O)c1ccccc1 ZINC000072243116 191085733 /nfs/dbraw/zinc/08/57/33/191085733.db2.gz UHYAHWXOJYUVQJ-QGZVFWFLSA-N 0 0 323.392 3.903 50 0 DHAARN Cc1csc([C@@H]2CCCCN2C(=O)c2cccnc2C)n1 ZINC000072273432 191095194 /nfs/dbraw/zinc/09/51/94/191095194.db2.gz IZODECPIOVJYCC-AWEZNQCLSA-N 0 0 301.415 3.522 50 0 DHAARN CCOC(=O)c1sc(NC(=O)C2(CC)CCCC2)nc1C ZINC000084735397 192463273 /nfs/dbraw/zinc/46/32/73/192463273.db2.gz SMKRSGLGQIVBHD-UHFFFAOYSA-N 0 0 310.419 3.537 50 0 DHAARN C[C@@H](c1ccc2c(c1)OCCCO2)N(C(=O)C1CCC1)C1CC1 ZINC000072274681 191097252 /nfs/dbraw/zinc/09/72/52/191097252.db2.gz ZIVMREZHURZKON-ZDUSSCGKSA-N 0 0 315.413 3.700 50 0 DHAARN CCC(CC)c1cc(CNC(=O)CCc2ccc(F)cc2)on1 ZINC000072296850 191111582 /nfs/dbraw/zinc/11/15/82/191111582.db2.gz AFWJEDJHXZGYTI-UHFFFAOYSA-N 0 0 318.392 3.966 50 0 DHAARN Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)sc1C ZINC000072297450 191113024 /nfs/dbraw/zinc/11/30/24/191113024.db2.gz RPWPYEDOTDSPOA-LSDHHAIUSA-N 0 0 304.459 3.822 50 0 DHAARN Cc1nc([C@H]2CCCN(C(=O)CCc3ccco3)C2)sc1C ZINC000072297455 191113385 /nfs/dbraw/zinc/11/33/85/191113385.db2.gz SNEIFFZEVOHASR-AWEZNQCLSA-N 0 0 318.442 3.692 50 0 DHAARN O=C(/C=C/c1ccc[nH]1)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000225608357 186282656 /nfs/dbraw/zinc/28/26/56/186282656.db2.gz NQDLQPDKCHVRDG-JBVUFVISSA-N 0 0 322.339 3.895 50 0 DHAARN O=C(/C=C/c1ccccc1)NCC[C@H](O)c1cccc(Cl)c1 ZINC000225607780 186282920 /nfs/dbraw/zinc/28/29/20/186282920.db2.gz CYRROHMHYSQCCI-FVNWOWOISA-N 0 0 315.800 3.593 50 0 DHAARN CCn1ncnc1CN[C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000225616811 186284038 /nfs/dbraw/zinc/28/40/38/186284038.db2.gz FPPMRYXCFMYKRY-FQEVSTJZSA-N 0 0 320.440 3.794 50 0 DHAARN Cc1ncc(C(=O)Nc2ccc3c[nH]nc3c2)c(Cl)c1Cl ZINC000225625508 186284456 /nfs/dbraw/zinc/28/44/56/186284456.db2.gz QOADIZQVEBSDPR-UHFFFAOYSA-N 0 0 321.167 3.825 50 0 DHAARN CCCn1nc(C)c(CNc2ccc(-c3ccccc3)nn2)c1C ZINC000225641450 186286107 /nfs/dbraw/zinc/28/61/07/186286107.db2.gz SAQXLMDMUWJVGA-UHFFFAOYSA-N 0 0 321.428 3.979 50 0 DHAARN CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccco1 ZINC000225653734 186287335 /nfs/dbraw/zinc/28/73/35/186287335.db2.gz GYLNVCNTXUWYPA-ZDUSSCGKSA-N 0 0 301.367 3.612 50 0 DHAARN C[C@H](O)c1ccc(C2(CNC(=O)c3ccco3)CCCC2)s1 ZINC000225680284 186288995 /nfs/dbraw/zinc/28/89/95/186288995.db2.gz LMHWQCFKCQTXRO-LBPRGKRZSA-N 0 0 319.426 3.636 50 0 DHAARN O=C(Nc1ccc2ncccc2c1)c1ccnc(OCC2CC2)c1 ZINC000253394102 186303910 /nfs/dbraw/zinc/30/39/10/186303910.db2.gz AFMMRFQNJBMAAT-UHFFFAOYSA-N 0 0 319.364 3.671 50 0 DHAARN C[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@@H](c2ccsc2)O1 ZINC000253395855 186305247 /nfs/dbraw/zinc/30/52/47/186305247.db2.gz UCNVTMJTYYNJSH-ABAIWWIYSA-N 0 0 317.410 3.821 50 0 DHAARN Cc1ccc(CN(C)C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)o1 ZINC000194250553 186273310 /nfs/dbraw/zinc/27/33/10/186273310.db2.gz LYSNDFPWJRHZMQ-ZBFHGGJFSA-N 0 0 322.449 3.571 50 0 DHAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)C(F)F ZINC000194264034 186274438 /nfs/dbraw/zinc/27/44/38/186274438.db2.gz UCYQMGDCHSVYJN-UHFFFAOYSA-N 0 0 319.311 3.843 50 0 DHAARN C[C@H](C(=O)N[C@@H](C)c1ccccc1Br)C(F)(F)F ZINC000072302698 191116303 /nfs/dbraw/zinc/11/63/03/191116303.db2.gz RMKPPONDOGSKDM-SFYZADRCSA-N 0 0 324.140 3.825 50 0 DHAARN CCCN(CC(F)F)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000072304081 191116351 /nfs/dbraw/zinc/11/63/51/191116351.db2.gz WGHPGOZDBNZRRQ-YJBOKZPZSA-N 0 0 307.384 3.784 50 0 DHAARN CC(=O)Nc1ccc(O[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000072313667 191121279 /nfs/dbraw/zinc/12/12/79/191121279.db2.gz NUCFEGMJTJNIMT-GFCCVEGCSA-N 0 0 323.352 3.835 50 0 DHAARN Cc1cccc(-c2n[nH]cc2C(=O)NCc2ccccc2C)c1 ZINC000072329141 191123986 /nfs/dbraw/zinc/12/39/86/191123986.db2.gz HPRPBSMHHBFZOO-UHFFFAOYSA-N 0 0 305.381 3.624 50 0 DHAARN COc1cccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000072329230 191124142 /nfs/dbraw/zinc/12/41/42/191124142.db2.gz JLKASVDMQJAOFH-ZDUSSCGKSA-N 0 0 321.380 3.576 50 0 DHAARN CC1(C)C(=O)O[C@@H](c2ccccc2F)C2(CCCCC2)C1=O ZINC000000035151 180673081 /nfs/dbraw/zinc/67/30/81/180673081.db2.gz YVXUIKUJMUUYFV-AWEZNQCLSA-N 0 0 304.361 3.969 50 0 DHAARN O=C1C[C@@H](c2cccc(F)c2)c2cnn(Cc3ccco3)c2N1 ZINC000072406445 191152813 /nfs/dbraw/zinc/15/28/13/191152813.db2.gz IYKZLLLLTWGPIR-AWEZNQCLSA-N 0 0 311.316 3.787 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2nc(-c3ccncc3)cs2)s1 ZINC000072406143 191153113 /nfs/dbraw/zinc/15/31/13/191153113.db2.gz ZZFZAXOUIDUCKH-UHFFFAOYSA-N 0 0 316.411 3.531 50 0 DHAARN O=C(Cc1csc(-n2cccc2)n1)Nc1cccc2[nH]ccc21 ZINC000072402849 191150824 /nfs/dbraw/zinc/15/08/24/191150824.db2.gz GEAIKDMDKNXSIM-UHFFFAOYSA-N 0 0 322.393 3.596 50 0 DHAARN O=C(Cc1ccc2c(c1)OCCCO2)Nc1cccc2[nH]ccc21 ZINC000072401911 191151203 /nfs/dbraw/zinc/15/12/03/191151203.db2.gz FQLBAVGMMJVNLL-UHFFFAOYSA-N 0 0 322.364 3.510 50 0 DHAARN Cc1nc(NC(=O)c2cc3cc(F)ccc3n2C)sc1C ZINC000072405876 191151970 /nfs/dbraw/zinc/15/19/70/191151970.db2.gz CHYOWEICKBVFRV-UHFFFAOYSA-N 0 0 303.362 3.643 50 0 DHAARN CSCCC(=O)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072420201 191157000 /nfs/dbraw/zinc/15/70/00/191157000.db2.gz QSXFVLCTXVEGQC-CQSZACIVSA-N 0 0 321.421 3.509 50 0 DHAARN CC[C@H](C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000074124 180684825 /nfs/dbraw/zinc/68/48/25/180684825.db2.gz HXBPKMZXDPJHMI-VIFPVBQESA-N 0 0 309.822 3.767 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000000078813 180685705 /nfs/dbraw/zinc/68/57/05/180685705.db2.gz PHRYRDKIAUSFLY-HNNXBMFYSA-N 0 0 318.417 3.641 50 0 biogenic DHAARN Cc1cc2c(c(=O)o1)SC(=C(C(F)(F)F)C(F)(F)F)O2 ZINC000000099051 180691853 /nfs/dbraw/zinc/69/18/53/180691853.db2.gz RFOLBXYIUDLAFB-UHFFFAOYSA-N 0 0 318.194 3.769 50 0 DHAARN Cc1ccc(C(=O)CSCC(=O)Nc2ccccc2)s1 ZINC000000114681 180696851 /nfs/dbraw/zinc/69/68/51/180696851.db2.gz IRYLSZWWZPAPRL-UHFFFAOYSA-N 0 0 305.424 3.611 50 0 DHAARN O=C(c1ccc(COc2ccccc2Cl)o1)N1CCCC1 ZINC000000115349 180697554 /nfs/dbraw/zinc/69/75/54/180697554.db2.gz QWHSWXPLRITIDI-UHFFFAOYSA-N 0 0 305.761 3.748 50 0 DHAARN Cc1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 ZINC000000115744 180697642 /nfs/dbraw/zinc/69/76/42/180697642.db2.gz DRVMDVWCMLRJEU-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN CCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000000118152 180699011 /nfs/dbraw/zinc/69/90/11/180699011.db2.gz PEOUXNNUXJHVFE-UHFFFAOYSA-N 0 0 301.733 3.892 50 0 DHAARN Cc1ccnc(Oc2cccc(C(=O)N3CCCC[C@@H]3C)c2)n1 ZINC000072437729 191165968 /nfs/dbraw/zinc/16/59/68/191165968.db2.gz XKCCLMHSWQBUOW-AWEZNQCLSA-N 0 0 311.385 3.592 50 0 DHAARN Cc1cc(Nc2ccc(OCc3ccccc3)cc2)nc(N)n1 ZINC000072438008 191166061 /nfs/dbraw/zinc/16/60/61/191166061.db2.gz QFGVCIUGYKRSSY-UHFFFAOYSA-N 0 0 306.369 3.690 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1C)CCC2 ZINC000000134086 180704886 /nfs/dbraw/zinc/70/48/86/180704886.db2.gz IEUVDLUPIBCJOJ-UHFFFAOYSA-N 0 0 315.394 3.584 50 0 DHAARN Cc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)nn1 ZINC000072446775 191169127 /nfs/dbraw/zinc/16/91/27/191169127.db2.gz CRVZVNXMGWRUBU-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1C ZINC000000130776 180702934 /nfs/dbraw/zinc/70/29/34/180702934.db2.gz ZGGKFPZNXDZFTK-UHFFFAOYSA-N 0 0 311.381 3.716 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000000132931 180703892 /nfs/dbraw/zinc/70/38/92/180703892.db2.gz BKZPTHKVSHLLMH-UHFFFAOYSA-N 0 0 308.337 3.952 50 0 DHAARN CC(C)=CC(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000000149000 180708675 /nfs/dbraw/zinc/70/86/75/180708675.db2.gz VAXJPBAUEKOZPJ-UHFFFAOYSA-N 0 0 310.349 3.915 50 0 DHAARN Clc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1 ZINC000000152012 180710004 /nfs/dbraw/zinc/71/00/04/180710004.db2.gz CLWQIUYJSJCUHH-UHFFFAOYSA-N 0 0 323.743 3.638 50 0 DHAARN Cc1nc2cc(C(=O)N3CCCC[C@H]3c3ccccn3)ccc2[nH]1 ZINC000072474427 191176523 /nfs/dbraw/zinc/17/65/23/191176523.db2.gz VNVOOVCCYYVJOP-SFHVURJKSA-N 0 0 320.396 3.634 50 0 DHAARN CCOC(=O)c1ccccc1Oc1c(F)c(F)nc(F)c1F ZINC000000203567 180724248 /nfs/dbraw/zinc/72/42/48/180724248.db2.gz JBFCNZODKOUXBR-UHFFFAOYSA-N 0 0 315.222 3.607 50 0 DHAARN S=C(NCCC1=CCCCC1)Nc1ccc2nsnc2c1 ZINC000000205199 180724533 /nfs/dbraw/zinc/72/45/33/180724533.db2.gz ZPRMPQDHRORGRM-UHFFFAOYSA-N 0 0 318.471 3.868 50 0 DHAARN CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(F)cc1 ZINC000000227444 180732285 /nfs/dbraw/zinc/73/22/85/180732285.db2.gz UQCSNRZGLDSOBU-UHFFFAOYSA-N 0 0 307.346 3.625 50 0 DHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000269937 180744043 /nfs/dbraw/zinc/74/40/43/180744043.db2.gz RCCZKHCEXJBLRF-UHFFFAOYSA-N 0 0 315.438 3.637 50 0 DHAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 ZINC000000297081 180751050 /nfs/dbraw/zinc/75/10/50/180751050.db2.gz SWXGZOIIYNMAOI-VIFPVBQESA-N 0 0 314.168 3.670 50 0 DHAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccccc1F ZINC000000274022 180744897 /nfs/dbraw/zinc/74/48/97/180744897.db2.gz OEDZBMOMZIGSEK-NTEUORMPSA-N 0 0 301.704 3.824 50 0 DHAARN Brc1csc(CNc2ccc3n[nH]cc3c2)c1 ZINC000000280318 180746334 /nfs/dbraw/zinc/74/63/34/180746334.db2.gz ISJQNDWQBLLMOR-UHFFFAOYSA-N 0 0 308.204 3.999 50 0 DHAARN Cc1ccc(Cn2cnc3sc4c(c3c2=O)CCC4)c(C)c1 ZINC000000310481 180755417 /nfs/dbraw/zinc/75/54/17/180755417.db2.gz STVSGAKJQYFIFN-UHFFFAOYSA-N 0 0 310.422 3.612 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)OC12CCCCC2 ZINC000000310537 180755511 /nfs/dbraw/zinc/75/55/11/180755511.db2.gz UFIQAALAOFWVKX-CYBMUJFWSA-N 0 0 307.777 3.545 50 0 DHAARN CCC(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1Cl ZINC000000305566 180753567 /nfs/dbraw/zinc/75/35/67/180753567.db2.gz MQOORJWQCUDYNM-UHFFFAOYSA-N 0 0 314.776 3.731 50 0 DHAARN COc1ccc(-c2noc(CC3CCCCC3)n2)cc1OC ZINC000000316748 180757940 /nfs/dbraw/zinc/75/79/40/180757940.db2.gz CGCLTKZBPUGGLD-UHFFFAOYSA-N 0 0 302.374 3.877 50 0 DHAARN Cc1cc(OCC(=O)NCc2ccc(F)cc2)cc(C)c1Cl ZINC000000318838 180758725 /nfs/dbraw/zinc/75/87/25/180758725.db2.gz UDIUZQYIQBVCES-UHFFFAOYSA-N 0 0 321.779 3.791 50 0 DHAARN CCOC(=O)c1c(N)sc2c1CC[C@H](c1ccccc1)C2 ZINC000000371698 180769347 /nfs/dbraw/zinc/76/93/47/180769347.db2.gz QQEZPAFQKVECBA-LBPRGKRZSA-N 0 0 301.411 3.780 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1C ZINC000000373804 180769931 /nfs/dbraw/zinc/76/99/31/180769931.db2.gz LECMJQRNLKZSLL-UHFFFAOYSA-N 0 0 303.383 3.712 50 0 DHAARN CCOC(=O)C1=C(c2ccccc2)ON(C)[C@H]1c1ccccc1 ZINC000000347983 180763443 /nfs/dbraw/zinc/76/34/43/180763443.db2.gz PLPYXFSFLOKFPT-KRWDZBQOSA-N 0 0 309.365 3.579 50 0 DHAARN O=C(Oc1ccc(Cl)cc1Br)c1ccco1 ZINC000000359032 180766250 /nfs/dbraw/zinc/76/62/50/180766250.db2.gz TYDSKGSAPCXBAT-UHFFFAOYSA-N 0 0 301.523 3.915 50 0 DHAARN Cc1cccc(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c1 ZINC000000364573 180767447 /nfs/dbraw/zinc/76/74/47/180767447.db2.gz OFZHXZHOJQJCTK-LBPRGKRZSA-N 0 0 323.651 3.875 50 0 DHAARN CC(=O)Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000000403711 180778141 /nfs/dbraw/zinc/77/81/41/180778141.db2.gz GMJBXRJICIJYPR-UHFFFAOYSA-N 0 0 322.360 3.926 50 0 DHAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccn1 ZINC000000394467 180775497 /nfs/dbraw/zinc/77/54/97/180775497.db2.gz AUFYYSGJCHOMFW-IBGZPJMESA-N 0 0 302.377 3.795 50 0 DHAARN O=C1CS[C@H](c2ccc(F)c(F)c2)N1c1ccccc1F ZINC000000424006 180785264 /nfs/dbraw/zinc/78/52/64/180785264.db2.gz IBFORFDPFDTDBW-OAHLLOKOSA-N 0 0 309.312 3.883 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000000460485 180797987 /nfs/dbraw/zinc/79/79/87/180797987.db2.gz HJRPAEQICQXOGR-OUKQBFOZSA-N 0 0 309.365 3.824 50 0 DHAARN Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000469475 180800840 /nfs/dbraw/zinc/80/08/40/180800840.db2.gz TYGWNCSOKBVYJQ-UHFFFAOYSA-N 0 0 315.373 3.741 50 0 DHAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1 ZINC000000450590 180795085 /nfs/dbraw/zinc/79/50/85/180795085.db2.gz JRKQUEIHXIVHAU-UHFFFAOYSA-N 0 0 314.410 3.521 50 0 DHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ncccc1Cl ZINC000000483333 180804865 /nfs/dbraw/zinc/80/48/65/180804865.db2.gz FUJVVLKJIJYPSW-SECBINFHSA-N 0 0 311.168 3.794 50 0 DHAARN COc1ccccc1[C@@H](CC(=O)N1CCCCC1)c1ccco1 ZINC000000487632 180806055 /nfs/dbraw/zinc/80/60/55/180806055.db2.gz IEGKXIUUVLFKLT-MRXNPFEDSA-N 0 0 313.397 3.823 50 0 biogenic DHAARN COc1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1OC ZINC000000496614 180807694 /nfs/dbraw/zinc/80/76/94/180807694.db2.gz OJCYXMKGTRPAIF-PKNBQFBNSA-N 0 0 315.413 3.724 50 0 DHAARN CC(C)(C)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 ZINC000000510748 180810265 /nfs/dbraw/zinc/81/02/65/180810265.db2.gz BRBUOVYCXZNHOT-UHFFFAOYSA-N 0 0 309.409 3.952 50 0 DHAARN CC(=O)Oc1ccc2c(c1)occ(Oc1ccc(C)cc1)c2=O ZINC000000518196 180811016 /nfs/dbraw/zinc/81/10/16/180811016.db2.gz WIZXGOPTWBZLCR-UHFFFAOYSA-N 0 0 310.305 3.819 50 0 biogenic DHAARN CCn1c(SCc2cccc(C)c2)nnc1-c1cccnc1 ZINC000000531830 180815351 /nfs/dbraw/zinc/81/53/51/180815351.db2.gz AZQZOVKXUOYNAZ-UHFFFAOYSA-N 0 0 310.426 3.961 50 0 DHAARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccccc1 ZINC000000535229 180816283 /nfs/dbraw/zinc/81/62/83/180816283.db2.gz PIPYNQJHIRBWAI-UHFFFAOYSA-N 0 0 309.756 3.580 50 0 DHAARN CC(C)(C)c1ccc(CN2c3ccccc3N3CC(=O)N=C23)cc1 ZINC000000536363 180816994 /nfs/dbraw/zinc/81/69/94/180816994.db2.gz QWWZQJNSOFNGEP-UHFFFAOYSA-N 0 0 319.408 3.707 50 0 DHAARN CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000000572733 180824298 /nfs/dbraw/zinc/82/42/98/180824298.db2.gz KHEHSODCLBXGLU-OAHLLOKOSA-N 0 0 321.424 3.980 50 0 DHAARN Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)cc1Cl ZINC000000609173 180827072 /nfs/dbraw/zinc/82/70/72/180827072.db2.gz CTNGSRLNFDOOAO-QWRGUYRKSA-N 0 0 315.866 3.623 50 0 DHAARN FC(F)(F)c1ccccc1NC(=S)NCc1cccnc1 ZINC000000609302 180827163 /nfs/dbraw/zinc/82/71/63/180827163.db2.gz MMWLSBJVPGRSBO-UHFFFAOYSA-N 0 0 311.332 3.587 50 0 DHAARN CCC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12 ZINC000000560802 180822200 /nfs/dbraw/zinc/82/22/00/180822200.db2.gz VPFJZMQTVUOBBS-UHFFFAOYSA-N 0 0 306.365 3.873 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3O)no2)cc1 ZINC000000815060 180834749 /nfs/dbraw/zinc/83/47/49/180834749.db2.gz GPAPABJHPJFVOQ-UHFFFAOYSA-N 0 0 308.337 3.916 50 0 DHAARN COc1cccc([C@H]2Nc3ccccc3-c3cc(C)nn32)c1OC ZINC000000817655 180835132 /nfs/dbraw/zinc/83/51/32/180835132.db2.gz KSMQNCRMIJZCAK-IBGZPJMESA-N 0 0 321.380 3.848 50 0 DHAARN COc1cc(OC)c(C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000001006479 180840438 /nfs/dbraw/zinc/84/04/38/180840438.db2.gz VRRODQNOANLAOQ-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN O=c1c2ccccc2nc(-c2ccoc2)n1CCc1ccccc1 ZINC000001057392 180843857 /nfs/dbraw/zinc/84/38/57/180843857.db2.gz VWDIXGPHJUFQHH-UHFFFAOYSA-N 0 0 316.360 3.899 50 0 DHAARN CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000001062167 180844643 /nfs/dbraw/zinc/84/46/43/180844643.db2.gz BVYFDWZPSUNBSI-UHFFFAOYSA-N 0 0 321.380 3.932 50 0 DHAARN O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccccc1 ZINC000001189209 180849280 /nfs/dbraw/zinc/84/92/80/180849280.db2.gz UEACFOXOVJLGLS-GDNBJRDFSA-N 0 0 311.362 3.629 50 0 DHAARN Cc1c([C@H](C)OC(=O)Nc2ccc(C)cc2)sc2ncnn12 ZINC000001404999 180862764 /nfs/dbraw/zinc/86/27/64/180862764.db2.gz PEPLLTQDYNTJFO-NSHDSACASA-N 0 0 316.386 3.717 50 0 DHAARN CCOC(=O)C/C(=C/c1ccccc1)OC(=O)Cc1ccccc1 ZINC000002077539 180909492 /nfs/dbraw/zinc/90/94/92/180909492.db2.gz DOOZFRDOPGUQSF-AQTBWJFISA-N 0 0 324.376 3.767 50 0 DHAARN CCCCc1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 ZINC000001895648 180900772 /nfs/dbraw/zinc/90/07/72/180900772.db2.gz JHQFGMKMKLLZHX-UHFFFAOYSA-N 0 0 319.430 3.515 50 0 DHAARN FC(F)(F)c1nnc2sc(-c3ccc(Cl)cc3)nn21 ZINC000002216218 180915706 /nfs/dbraw/zinc/91/57/06/180915706.db2.gz RPVNAYJLGIOPHR-UHFFFAOYSA-N 0 0 304.684 3.525 50 0 DHAARN CCc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002256592 180917217 /nfs/dbraw/zinc/91/72/17/180917217.db2.gz RFLQIWHUKUGOHD-OAHLLOKOSA-N 0 0 312.394 3.887 50 0 DHAARN C[C@H]1CCCc2sc3ncn4nc(-c5cccnc5)nc4c3c21 ZINC000002334412 180919750 /nfs/dbraw/zinc/91/97/50/180919750.db2.gz XNMDYBKZZDOMQO-JTQLQIEISA-N 0 0 321.409 3.841 50 0 DHAARN COc1cc2c(cc1OC)/C(=C/c1ccc(C)cc1)C(=O)OC2 ZINC000002111449 180910774 /nfs/dbraw/zinc/91/07/74/180910774.db2.gz YIDGLCMYDHLEBC-PXNMLYILSA-N 0 0 310.349 3.610 50 0 biogenic DHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](CCc3ccccc3)[C@@H]1[C@@H]2C ZINC000002124463 180910867 /nfs/dbraw/zinc/91/08/67/180910867.db2.gz XWHWCKHMKQSYBV-CZKCSJLSSA-N 0 0 300.442 3.845 50 0 biogenic DHAARN Clc1ccc(C2=CSC3=NNC4(CCCCC4)NN23)cc1 ZINC000002489398 180927382 /nfs/dbraw/zinc/92/73/82/180927382.db2.gz WCUDRMZFWTUBNP-UHFFFAOYSA-N 0 0 320.849 3.726 50 0 DHAARN COCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000002424530 180923066 /nfs/dbraw/zinc/92/30/66/180923066.db2.gz KRQANONEWXGEBB-UHFFFAOYSA-N 0 0 318.380 3.683 50 0 DHAARN COc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 ZINC000002518068 180931302 /nfs/dbraw/zinc/93/13/02/180931302.db2.gz NETZMRFTWQQOKK-UHFFFAOYSA-N 0 0 306.402 3.837 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000002729833 180949910 /nfs/dbraw/zinc/94/99/10/180949910.db2.gz CRKDFLYIKYGHTM-MRXNPFEDSA-N 0 0 302.418 3.686 50 0 DHAARN CCn1ncc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000002760796 180952648 /nfs/dbraw/zinc/95/26/48/180952648.db2.gz LGUYGFFEHHKTMZ-CMDGGOBGSA-N 0 0 323.318 3.882 50 0 DHAARN Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000002764783 180954038 /nfs/dbraw/zinc/95/40/38/180954038.db2.gz NJXIIRNIYDRDJW-BEFAXECRSA-N 0 0 309.409 3.956 50 0 DHAARN COc1ccccc1C(=O)NCCSCc1ccc(C)cc1 ZINC000002842056 180963041 /nfs/dbraw/zinc/96/30/41/180963041.db2.gz XDVYQBYYYNFTOO-UHFFFAOYSA-N 0 0 315.438 3.667 50 0 DHAARN CCN(C(=O)c1cc2ccccc2oc1=O)c1cccc(C)c1 ZINC000002890531 180968511 /nfs/dbraw/zinc/96/85/11/180968511.db2.gz NCHXCTDLFRGQTA-UHFFFAOYSA-N 0 0 307.349 3.768 50 0 DHAARN CCc1ccccc1OCCOc1ccc(C=O)cc1OC ZINC000002984318 180973958 /nfs/dbraw/zinc/97/39/58/180973958.db2.gz DNXGCQMUHILFHT-UHFFFAOYSA-N 0 0 300.354 3.528 50 0 DHAARN O=C(CC1CCC1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000002996870 180975796 /nfs/dbraw/zinc/97/57/96/180975796.db2.gz QOCQCPWGEGYTTN-UHFFFAOYSA-N 0 0 322.408 3.745 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1c(C)cccc1C ZINC000003102877 180981491 /nfs/dbraw/zinc/98/14/91/180981491.db2.gz QKUHVSGNJXVPRD-OAHLLOKOSA-N 0 0 304.434 3.575 50 0 DHAARN O=C(Cc1ccccc1)NCCSc1ccc(Cl)cc1 ZINC000003104867 180981498 /nfs/dbraw/zinc/98/14/98/180981498.db2.gz FDGMYPRQGBDWGG-UHFFFAOYSA-N 0 0 305.830 3.791 50 0 DHAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc(=O)c2ccccc2o1 ZINC000003269210 180998648 /nfs/dbraw/zinc/99/86/48/180998648.db2.gz QHMVGRLZWCARLR-MRXNPFEDSA-N 0 0 319.360 3.600 50 0 DHAARN CC(=O)Oc1ccc(-c2cccc(C(=O)NC(C)(C)C)c2)cc1 ZINC000003211877 180992399 /nfs/dbraw/zinc/99/23/99/180992399.db2.gz ZLCOGOIYZCCRDS-UHFFFAOYSA-N 0 0 311.381 3.807 50 0 DHAARN Cc1nn(Cc2c(F)cccc2Cl)c(=O)c2ccccc12 ZINC000003263730 180997915 /nfs/dbraw/zinc/99/79/15/180997915.db2.gz ACRJCKUUJWCUNO-UHFFFAOYSA-N 0 0 302.736 3.546 50 0 DHAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2ccccc21 ZINC000003263565 180998125 /nfs/dbraw/zinc/99/81/25/180998125.db2.gz VYWPWDJDNVEWIM-STQMWFEESA-N 0 0 315.442 3.511 50 0 DHAARN COc1ccc2cc(C(=O)CSc3ncccn3)ccc2c1 ZINC000003265808 180998151 /nfs/dbraw/zinc/99/81/51/180998151.db2.gz FMASBOXMWZGFJM-UHFFFAOYSA-N 0 0 310.378 3.613 50 0 DHAARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c(C)o1 ZINC000003317909 181004444 /nfs/dbraw/zinc/00/44/44/181004444.db2.gz LNJPKKVRWUOHRG-UHFFFAOYSA-N 0 0 315.369 3.815 50 0 DHAARN CCC[C@@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000003290066 181001053 /nfs/dbraw/zinc/00/10/53/181001053.db2.gz JHMQAJWLECRXCL-SECBINFHSA-N 0 0 318.200 3.911 50 0 DHAARN Cc1cc(N(C(=O)c2cccs2)C(=O)c2cccs2)no1 ZINC000003305410 181002440 /nfs/dbraw/zinc/00/24/40/181002440.db2.gz WBWRVQOKFVIWNG-UHFFFAOYSA-N 0 0 318.379 3.593 50 0 DHAARN Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccccc1F ZINC000003327917 181006338 /nfs/dbraw/zinc/00/63/38/181006338.db2.gz NZMSPTLXXXMNCW-AWEZNQCLSA-N 0 0 300.377 3.593 50 0 DHAARN C[C@@H](NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000003332745 181006597 /nfs/dbraw/zinc/00/65/97/181006597.db2.gz OFBJAGWIGNWIDQ-CQSZACIVSA-N 0 0 316.832 3.649 50 0 DHAARN Nc1c2ccccc2oc1C(=O)c1ccc(OC(F)F)cc1 ZINC000003332760 181006681 /nfs/dbraw/zinc/00/66/81/181006681.db2.gz NDVUDELRWLPOIL-UHFFFAOYSA-N 0 0 303.264 3.847 50 0 DHAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1 ZINC000003342474 181008948 /nfs/dbraw/zinc/00/89/48/181008948.db2.gz QPZGKNPLRWBUHD-LBPRGKRZSA-N 0 0 311.410 3.991 50 0 DHAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003356122 181011232 /nfs/dbraw/zinc/01/12/32/181011232.db2.gz GGNOGJKVWFQTEM-UHFFFAOYSA-N 0 0 323.392 3.786 50 0 DHAARN COc1ccccc1CNC(=O)c1cc(F)c(F)cc1Cl ZINC000003360055 181011519 /nfs/dbraw/zinc/01/15/19/181011519.db2.gz FNAANIKJRCRADN-UHFFFAOYSA-N 0 0 311.715 3.557 50 0 DHAARN CC(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2)cc1 ZINC000003418091 181016789 /nfs/dbraw/zinc/01/67/89/181016789.db2.gz MXFXLCCNYMRLPA-UHFFFAOYSA-N 0 0 303.358 3.759 50 0 DHAARN Cc1noc(C)c1CSCc1nnc(-c2ccc(F)cc2)o1 ZINC000003417883 181017097 /nfs/dbraw/zinc/01/70/97/181017097.db2.gz JCAFCQQITXKWHR-UHFFFAOYSA-N 0 0 319.361 3.914 50 0 DHAARN COc1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 ZINC000003422869 181017631 /nfs/dbraw/zinc/01/76/31/181017631.db2.gz NKDOVDHGGFENRU-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000003436120 181019746 /nfs/dbraw/zinc/01/97/46/181019746.db2.gz FEQATDVHAQWOSZ-UHFFFAOYSA-N 0 0 306.456 3.817 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1C ZINC000003443452 181020269 /nfs/dbraw/zinc/02/02/69/181020269.db2.gz QYASKLOFDHLIAJ-UHFFFAOYSA-N 0 0 311.381 3.716 50 0 DHAARN O=C(Cc1coc2cc3c(cc12)CCC3)O[C@@H]1CCCCC1=O ZINC000003442592 181020385 /nfs/dbraw/zinc/02/03/85/181020385.db2.gz JOIPGSCLRUCANG-QGZVFWFLSA-N 0 0 312.365 3.519 50 0 DHAARN COCCCNc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000003444827 181020769 /nfs/dbraw/zinc/02/07/69/181020769.db2.gz DMXBHMQYLYIRLY-UHFFFAOYSA-N 0 0 311.360 3.884 50 0 DHAARN Cc1noc(C)c1COC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000003451304 181021620 /nfs/dbraw/zinc/02/16/20/181021620.db2.gz BNNWTIBVYXDWQE-SECBINFHSA-N 0 0 305.399 3.835 50 0 DHAARN O=C(NCC(F)(F)F)c1ccc(OCc2ccccc2)cc1 ZINC000003456329 181022724 /nfs/dbraw/zinc/02/27/24/181022724.db2.gz ZDJMNLBSCPQNGV-UHFFFAOYSA-N 0 0 309.287 3.558 50 0 DHAARN Cc1cc(CNC(=O)CSc2ccccc2F)cc(C)c1O ZINC000003458841 181022818 /nfs/dbraw/zinc/02/28/18/181022818.db2.gz LZZCHHRHNUSFJY-UHFFFAOYSA-N 0 0 319.401 3.557 50 0 DHAARN CSc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000003458193 181023219 /nfs/dbraw/zinc/02/32/19/181023219.db2.gz PVFULVZBNYHORU-UHFFFAOYSA-N 0 0 318.442 3.553 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000003462642 181023509 /nfs/dbraw/zinc/02/35/09/181023509.db2.gz NTIMZQFOIZHGPJ-BJMVGYQFSA-N 0 0 314.772 3.950 50 0 DHAARN O=C(CSc1nc2ccccc2o1)NCCC1=CCCCC1 ZINC000003465782 181024488 /nfs/dbraw/zinc/02/44/88/181024488.db2.gz SNMKBXHJPURYRA-UHFFFAOYSA-N 0 0 316.426 3.927 50 0 DHAARN CCOc1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1 ZINC000003482899 181025352 /nfs/dbraw/zinc/02/53/52/181025352.db2.gz HWNOZJKDKISIBZ-UHFFFAOYSA-N 0 0 315.369 3.663 50 0 DHAARN Cc1ccc(C)c(SCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003499284 181027075 /nfs/dbraw/zinc/02/70/75/181027075.db2.gz DWTNLRBQXMMRIV-UHFFFAOYSA-N 0 0 315.394 3.763 50 0 DHAARN COc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)cc1C ZINC000003510573 181028281 /nfs/dbraw/zinc/02/82/81/181028281.db2.gz KOCAPQKEEFEVEY-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN O=C(COC(=O)c1ccc(Cl)cc1)NC1CCCCCCC1 ZINC000003512359 181028777 /nfs/dbraw/zinc/02/87/77/181028777.db2.gz REILIVKINRLVSD-UHFFFAOYSA-N 0 0 323.820 3.726 50 0 DHAARN Cc1ccc(C)c(SCC(=O)OCC(=O)c2cccs2)c1 ZINC000003515771 181029401 /nfs/dbraw/zinc/02/94/01/181029401.db2.gz KUVLCPPREUIVJR-UHFFFAOYSA-N 0 0 320.435 3.883 50 0 DHAARN O=C(/C=C/c1cccc(Br)c1)Nc1nccs1 ZINC000003549700 181032764 /nfs/dbraw/zinc/03/27/64/181032764.db2.gz OETCSPNSURQWEN-SNAWJCMRSA-N 0 0 309.188 3.558 50 0 DHAARN COc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000003551969 181033597 /nfs/dbraw/zinc/03/35/97/181033597.db2.gz NTDVLYKKTBWDGS-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN COc1c(Cl)cccc1NC(=O)N[C@H](C)c1c(C)noc1C ZINC000073185909 191289370 /nfs/dbraw/zinc/28/93/70/191289370.db2.gz CIFPTSVXUUEMQS-MRVPVSSYSA-N 0 0 323.780 3.836 50 0 DHAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000003582793 181036835 /nfs/dbraw/zinc/03/68/35/181036835.db2.gz CHZIXIJCUWCWQB-UHFFFAOYSA-N 0 0 324.302 3.660 50 0 DHAARN 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DHAARN O=S(=O)(Nc1c(F)cccc1F)c1ccc(F)c(Cl)c1 ZINC000016129639 182034676 /nfs/dbraw/zinc/03/46/76/182034676.db2.gz HRWWQPNVNNGKCV-UHFFFAOYSA-N 0 0 321.707 3.558 50 0 DHAARN COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cn1 ZINC000016234424 182038143 /nfs/dbraw/zinc/03/81/43/182038143.db2.gz WZGYOTUCSNIMMS-UHFFFAOYSA-N 0 0 316.360 3.914 50 0 DHAARN COc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000016301197 182039456 /nfs/dbraw/zinc/03/94/56/182039456.db2.gz DBOCULMGOYDREA-UHFFFAOYSA-N 0 0 323.314 3.573 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000016377717 182042937 /nfs/dbraw/zinc/04/29/37/182042937.db2.gz IFUGPBBKKTUWFO-CHWSQXEVSA-N 0 0 314.351 3.596 50 0 DHAARN Cc1ccoc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000016416890 182044170 /nfs/dbraw/zinc/04/41/70/182044170.db2.gz HQVLAADRTGWACE-UHFFFAOYSA-N 0 0 322.744 3.760 50 0 DHAARN COc1cc(N)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000016511908 182047419 /nfs/dbraw/zinc/04/74/19/182047419.db2.gz DVRBXGQCCYVHRO-UHFFFAOYSA-N 0 0 311.168 3.837 50 0 DHAARN Cc1csc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000016469858 182045709 /nfs/dbraw/zinc/04/57/09/182045709.db2.gz WCKYKNLICYNSLL-UHFFFAOYSA-N 0 0 300.305 3.652 50 0 DHAARN COc1ccc2c(CC(=O)N[C@@H]3CCc4ccccc43)coc2c1 ZINC000016471986 182045852 /nfs/dbraw/zinc/04/58/52/182045852.db2.gz PPJMPVPFZFJCNI-GOSISDBHSA-N 0 0 321.376 3.788 50 0 DHAARN CSc1ccccc1NS(=O)(=O)Cc1ccccc1C ZINC000016577818 182049902 /nfs/dbraw/zinc/04/99/02/182049902.db2.gz RIBLGYJALOTGNX-UHFFFAOYSA-N 0 0 307.440 3.659 50 0 DHAARN O=C(Cc1noc(-c2ccccc2)n1)Nc1ccccc1Cl ZINC000016578898 182050163 /nfs/dbraw/zinc/05/01/63/182050163.db2.gz OYKATIPURGPJOA-UHFFFAOYSA-N 0 0 313.744 3.571 50 0 DHAARN COc1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1 ZINC000016600611 182051949 /nfs/dbraw/zinc/05/19/49/182051949.db2.gz QHFBIWVSMDIPBU-UHFFFAOYSA-N 0 0 310.180 3.932 50 0 DHAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000016605418 182053418 /nfs/dbraw/zinc/05/34/18/182053418.db2.gz AHQROKBKNOOVAW-CYBMUJFWSA-N 0 0 308.740 3.670 50 0 DHAARN COc1ccc(NC(=O)c2cccc(CSC)c2)c(OC)c1 ZINC000016635490 182054701 /nfs/dbraw/zinc/05/47/01/182054701.db2.gz KZKMOKVXYNYOLM-UHFFFAOYSA-N 0 0 317.410 3.819 50 0 DHAARN O=C1NC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000016807374 182061210 /nfs/dbraw/zinc/06/12/10/182061210.db2.gz ORRXLFZJXFPOJA-GHXNOFRVSA-N 0 0 305.742 3.924 50 0 DHAARN Cc1ccc(C)c(-c2cc(-c3nc(-c4cccnc4)no3)n[nH]2)c1 ZINC000016846819 182061554 /nfs/dbraw/zinc/06/15/54/182061554.db2.gz AJKXFSRCSAISIF-UHFFFAOYSA-N 0 0 317.352 3.806 50 0 DHAARN Cc1nc(N2c3ccccc3C[C@@H]2C)nc2c1C(=O)C[C@@H](C)C2 ZINC000016651528 182056099 /nfs/dbraw/zinc/05/60/99/182056099.db2.gz ZNIOSOQIIPNHPD-RYUDHWBXSA-N 0 0 307.397 3.633 50 0 DHAARN O=C(OCc1ccc(-n2cccn2)cc1)c1cc2ccccc2[nH]1 ZINC000016666382 182056496 /nfs/dbraw/zinc/05/64/96/182056496.db2.gz NPBHZPGPBCQLHF-UHFFFAOYSA-N 0 0 317.348 3.711 50 0 DHAARN O=C(Nc1cccc(F)c1)c1nnn(-c2ccccc2)c1C1CC1 ZINC000016652567 182057041 /nfs/dbraw/zinc/05/70/41/182057041.db2.gz VJIVZKQHJSFLJE-UHFFFAOYSA-N 0 0 322.343 3.536 50 0 DHAARN O=C(/C=C/c1ccsc1)OCc1ccc(-n2cccn2)cc1 ZINC000016685518 182057268 /nfs/dbraw/zinc/05/72/68/182057268.db2.gz GRAJZZTVBZCUDJ-QPJJXVBHSA-N 0 0 310.378 3.690 50 0 DHAARN COc1ccc(Cn2cnc3cc(Br)ccc32)cc1 ZINC000016677929 182057589 /nfs/dbraw/zinc/05/75/89/182057589.db2.gz YOZCHLFDJFGYEP-UHFFFAOYSA-N 0 0 317.186 3.856 50 0 DHAARN Cc1cc(C)n(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)n1 ZINC000017052269 182070648 /nfs/dbraw/zinc/07/06/48/182070648.db2.gz MNHSEQJQCQYFPV-SNVBAGLBSA-N 0 0 313.184 3.914 50 0 DHAARN O=C(CSc1ccccc1)Nc1nnc(-c2ccco2)s1 ZINC000016955773 182066070 /nfs/dbraw/zinc/06/60/70/182066070.db2.gz LVKKRMPAQNCERT-UHFFFAOYSA-N 0 0 317.395 3.529 50 0 DHAARN Cc1cc(C)cc(-c2nn3c(nc4ccccc4c3=O)s2)c1 ZINC000017031563 182069213 /nfs/dbraw/zinc/06/92/13/182069213.db2.gz HEDKQSPFGHUQKC-UHFFFAOYSA-N 0 0 307.378 3.588 50 0 DHAARN CCCC[C@@H](CC)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000017031998 182070076 /nfs/dbraw/zinc/07/00/76/182070076.db2.gz HUBCKCNNXUCLHV-GFCCVEGCSA-N 0 0 309.406 3.867 50 0 DHAARN CCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccccc2)cc1 ZINC000017032122 182070195 /nfs/dbraw/zinc/07/01/95/182070195.db2.gz YXKBTJLNZAVTDQ-UHFFFAOYSA-N 0 0 310.397 3.697 50 0 DHAARN CCOc1ccc(S(=O)(=O)N[C@H](CC)c2ccccc2)cc1 ZINC000017055022 182072792 /nfs/dbraw/zinc/07/27/92/182072792.db2.gz LEDZWXRSTXJHIE-QGZVFWFLSA-N 0 0 319.426 3.515 50 0 DHAARN Cc1cnc(N2C(=O)CS[C@@H]2c2ccccc2Cl)s1 ZINC000017198002 182080041 /nfs/dbraw/zinc/08/00/41/182080041.db2.gz UUHYUWZUJJROFY-GFCCVEGCSA-N 0 0 310.831 3.884 50 0 DHAARN C[C@H]1C(=O)N(Cc2ccccc2)C2=Nc3ccccc3S[C@@H]21 ZINC000018087987 182092701 /nfs/dbraw/zinc/09/27/01/182092701.db2.gz KIZJSVYKTGSYGW-MLGOLLRUSA-N 0 0 308.406 3.869 50 0 DHAARN Cc1nc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n[nH]1 ZINC000018266268 182101487 /nfs/dbraw/zinc/10/14/87/182101487.db2.gz NELACKPYIURSBY-INIZCTEOSA-N 0 0 309.394 3.829 50 0 DHAARN CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc(Cl)cc1 ZINC000018323795 182101649 /nfs/dbraw/zinc/10/16/49/182101649.db2.gz PAYUZNASXZTNFC-UHFFFAOYSA-N 0 0 312.756 3.771 50 0 DHAARN O=[N+]([O-])C(=C(Cl)C(Cl)Cl)c1nc2ccccc2o1 ZINC000018166256 182095733 /nfs/dbraw/zinc/09/57/33/182095733.db2.gz REFFNUIWWSTIBH-CSKARUKUSA-N 0 0 307.520 3.822 50 0 DHAARN Cc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 ZINC000018164892 182095814 /nfs/dbraw/zinc/09/58/14/182095814.db2.gz MKNHNEOFLFOENW-UHFFFAOYSA-N 0 0 301.353 3.868 50 0 DHAARN COc1ccccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000018173616 182095878 /nfs/dbraw/zinc/09/58/78/182095878.db2.gz DSNSIYVSKOGTAG-SNVBAGLBSA-N 0 0 302.296 3.501 50 0 DHAARN Cc1cccc(OCCCNC(=O)Nc2ccc(F)cc2)c1 ZINC000018177512 182097060 /nfs/dbraw/zinc/09/70/60/182097060.db2.gz RYKJDPIORKKAJT-UHFFFAOYSA-N 0 0 302.349 3.725 50 0 DHAARN C[C@@H]1CN(C(=O)c2ccccc2CCc2ccccc2)C[C@H](C)O1 ZINC000018227488 182099482 /nfs/dbraw/zinc/09/94/82/182099482.db2.gz ONAQTCKZLOGETB-CALCHBBNSA-N 0 0 323.436 3.721 50 0 DHAARN CCN(CC)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000019202110 182107566 /nfs/dbraw/zinc/10/75/66/182107566.db2.gz PCXAWLMFXNPABB-LCYFTJDESA-N 0 0 324.833 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0 321.449 3.534 50 0 DHAARN O=C1S/C(=C/c2ccccc2O)C(=O)N1Cc1ccccc1 ZINC000019832972 182155022 /nfs/dbraw/zinc/15/50/22/182155022.db2.gz OYCGZWJFOSECCA-XNTDXEJSSA-N 0 0 311.362 3.629 50 0 DHAARN COc1ccc(CN2C(=O)CS[C@H]2c2ccc(C)cc2)cc1 ZINC000019927316 182164946 /nfs/dbraw/zinc/16/49/46/182164946.db2.gz RVDYHYIWQLTOMQ-SFHVURJKSA-N 0 0 313.422 3.778 50 0 DHAARN COc1ccc(CN2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 ZINC000019927309 182165063 /nfs/dbraw/zinc/16/50/63/182165063.db2.gz AFXMBEHRPHCZKA-QGZVFWFLSA-N 0 0 317.385 3.609 50 0 DHAARN COc1ccccc1[C@@H]1S[C@@H](C)C(=O)N1c1ncc(C)s1 ZINC000019927588 182165087 /nfs/dbraw/zinc/16/50/87/182165087.db2.gz JBPMMIZVSMMQRM-HZMBPMFUSA-N 0 0 320.439 3.627 50 0 DHAARN Clc1ccc(-c2cc(-c3ccncc3)n3ncnc3n2)cc1 ZINC000019960954 182170914 /nfs/dbraw/zinc/17/09/14/182170914.db2.gz AZBYLAPHZFICAK-UHFFFAOYSA-N 0 0 307.744 3.507 50 0 DHAARN CCCOc1ccccc1NC(=O)c1cn2ccc(C)cc2n1 ZINC000020010662 182177931 /nfs/dbraw/zinc/17/79/31/182177931.db2.gz NZXPZRQXJGVPOI-UHFFFAOYSA-N 0 0 309.369 3.684 50 0 DHAARN CCOc1ccc2nc(NC(=O)C[C@@H]3C=CCC3)sc2c1 ZINC000020011269 182178023 /nfs/dbraw/zinc/17/80/23/182178023.db2.gz ATRKCMFPZPLXTO-LLVKDONJSA-N 0 0 302.399 3.990 50 0 DHAARN Cc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 ZINC000020133141 182190967 /nfs/dbraw/zinc/19/09/67/182190967.db2.gz ARKRWUUZQJZDDI-UHFFFAOYSA-N 0 0 313.220 3.717 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1C ZINC000020279071 182202975 /nfs/dbraw/zinc/20/29/75/182202975.db2.gz FMYXQLLEYNASTD-GOSISDBHSA-N 0 0 322.408 3.547 50 0 DHAARN CN(Cc1cccc(F)c1)C(=O)c1cccc(Br)c1 ZINC000020293366 182203046 /nfs/dbraw/zinc/20/30/46/182203046.db2.gz WJSFGXQIGYCORL-UHFFFAOYSA-N 0 0 322.177 3.860 50 0 DHAARN CC[C@H](Nc1ccccc1OC)C(=O)Nc1ccccc1F ZINC000020296733 182203816 /nfs/dbraw/zinc/20/38/16/182203816.db2.gz ZQKNONXIQXSLAC-ZDUSSCGKSA-N 0 0 302.349 3.664 50 0 DHAARN CC(C)c1ccccc1NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000020400164 182214446 /nfs/dbraw/zinc/21/44/46/182214446.db2.gz HWVYEDLMCITYKR-LBPRGKRZSA-N 0 0 316.426 3.629 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CCN(C(=O)NCc1noc2ccccc21)c1ccccc1F ZINC000020516619 182226782 /nfs/dbraw/zinc/22/67/82/182226782.db2.gz BCKHXZXQFYHWKC-UHFFFAOYSA-N 0 0 313.332 3.703 50 0 DHAARN Cn1[nH]c(C2CC2)c2nc(-c3cccc(C(F)(F)F)c3)nc1-2 ZINC000020536047 182227552 /nfs/dbraw/zinc/22/75/52/182227552.db2.gz RPWCNZGTISSNDJ-UHFFFAOYSA-N 0 0 306.291 3.860 50 0 DHAARN C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 ZINC000020551189 182230255 /nfs/dbraw/zinc/23/02/55/182230255.db2.gz DXUCNRAAQRCDIF-LBPRGKRZSA-N 0 0 324.380 3.787 50 0 DHAARN O=C(Nc1cc(=O)oc2ccccc12)c1cc2ccccc2o1 ZINC000020725822 182244064 /nfs/dbraw/zinc/24/40/64/182244064.db2.gz OMNALGMTUOKDCB-UHFFFAOYSA-N 0 0 305.289 3.792 50 0 DHAARN Cc1cc(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2[nH]1 ZINC000020900114 182252979 /nfs/dbraw/zinc/25/29/79/182252979.db2.gz RUTPTXQCVFEHLD-UHFFFAOYSA-N 0 0 312.756 3.742 50 0 DHAARN Clc1ccc(/C=C/c2nn3c(nnc3C3CC3)s2)cc1 ZINC000020745005 182246095 /nfs/dbraw/zinc/24/60/95/182246095.db2.gz PVECYKSREVWYJY-FPYGCLRLSA-N 0 0 302.790 3.887 50 0 DHAARN Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000020897314 182252220 /nfs/dbraw/zinc/25/22/20/182252220.db2.gz LIPAOLLLXHMOMR-GFCCVEGCSA-N 0 0 316.426 3.594 50 0 DHAARN Cc1ccc(CCNC(=O)c2ncoc2-c2cccc(C)c2)cc1 ZINC000021044653 182263112 /nfs/dbraw/zinc/26/31/12/182263112.db2.gz QTXKWPQWEILFOD-UHFFFAOYSA-N 0 0 320.392 3.931 50 0 DHAARN Cc1cc2n(n1)CCCN2C(=O)Nc1cc(Cl)ccc1C ZINC000020944333 182256175 /nfs/dbraw/zinc/25/61/75/182256175.db2.gz PJAXUQPVDFJPDD-UHFFFAOYSA-N 0 0 304.781 3.596 50 0 DHAARN O=C(C[C@H](c1cccs1)n1cccc1)NCc1cccs1 ZINC000020997159 182257890 /nfs/dbraw/zinc/25/78/90/182257890.db2.gz ICXQLDBAZKZFCJ-CQSZACIVSA-N 0 0 316.451 3.907 50 0 DHAARN CC(=O)c1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1 ZINC000020997250 182257910 /nfs/dbraw/zinc/25/79/10/182257910.db2.gz QFRMTYFSXCBZGN-KRWDZBQOSA-N 0 0 322.364 3.902 50 0 DHAARN O=C(C[C@H](c1cccs1)n1cccc1)NCCc1ccccc1 ZINC000020997116 182257960 /nfs/dbraw/zinc/25/79/60/182257960.db2.gz AUZIOVDJRCQKGG-QGZVFWFLSA-N 0 0 324.449 3.888 50 0 DHAARN CC(=O)c1cccc(NC(=O)C[C@H](c2ccco2)n2cccc2)c1 ZINC000020997374 182258081 /nfs/dbraw/zinc/25/80/81/182258081.db2.gz QXLALIHOSFHVST-QGZVFWFLSA-N 0 0 322.364 3.902 50 0 DHAARN Cc1ccc(-n2nnnc2SCc2ccc(Cl)s2)cc1 ZINC000021372990 182273939 /nfs/dbraw/zinc/27/39/39/182273939.db2.gz JTFNILYGZZPLTO-UHFFFAOYSA-N 0 0 322.846 3.978 50 0 DHAARN COc1ccc(/C=C/c2nc3n(n2)C=COc2ccccc2-3)cc1 ZINC000021364855 182273117 /nfs/dbraw/zinc/27/31/17/182273117.db2.gz KDSUXCWQFUUMLM-DHZHZOJOSA-N 0 0 317.348 3.945 50 0 DHAARN CCCCN(C)c1ncnc2onc(-c3ccccc3OC)c21 ZINC000021715073 182284988 /nfs/dbraw/zinc/28/49/88/182284988.db2.gz NNVQDZRAZANCRD-UHFFFAOYSA-N 0 0 312.373 3.530 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)on1 ZINC000021718666 182285338 /nfs/dbraw/zinc/28/53/38/182285338.db2.gz XCDXMOJYBGCPBC-CQSZACIVSA-N 0 0 304.777 3.543 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)no1 ZINC000021719098 182285423 /nfs/dbraw/zinc/28/54/23/182285423.db2.gz ZVWKPGJYTOHJHI-INIZCTEOSA-N 0 0 316.376 3.843 50 0 DHAARN CCCc1cc([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)no1 ZINC000021719194 182285435 /nfs/dbraw/zinc/28/54/35/182285435.db2.gz NXDUHEIILSXPSB-OAHLLOKOSA-N 0 0 317.389 3.716 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)c2c(F)cccc2Cl)on1 ZINC000021718672 182285566 /nfs/dbraw/zinc/28/55/66/182285566.db2.gz PMWMGSSEGVTRER-GFCCVEGCSA-N 0 0 308.740 3.753 50 0 DHAARN O=C(CSc1ccc2c(c1)CCC2)NCc1ccc(F)cc1 ZINC000021515317 182277589 /nfs/dbraw/zinc/27/75/89/182277589.db2.gz MNWLBBJPDNTSMT-UHFFFAOYSA-N 0 0 315.413 3.723 50 0 DHAARN O=C(CCc1nc(-c2ccco2)no1)Nc1ccccc1Cl ZINC000021524028 182278315 /nfs/dbraw/zinc/27/83/15/182278315.db2.gz RWIQGKBYZGUZKK-UHFFFAOYSA-N 0 0 317.732 3.554 50 0 DHAARN O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Cl)cc1 ZINC000021524030 182278578 /nfs/dbraw/zinc/27/85/78/182278578.db2.gz RWQSSHDAFBJQNB-UHFFFAOYSA-N 0 0 317.732 3.554 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(N[C@H](C)c2ccccc2)n1 ZINC000021645226 182282040 /nfs/dbraw/zinc/28/20/40/182282040.db2.gz PNIWDPVVUWIDHD-CYBMUJFWSA-N 0 0 321.380 3.980 50 0 DHAARN CCCc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)no1 ZINC000021791128 182288955 /nfs/dbraw/zinc/28/89/55/182288955.db2.gz FLYDIQQAOLJNBG-KRWDZBQOSA-N 0 0 314.385 3.613 50 0 DHAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(-n2cccn2)cc1 ZINC000021796528 182289578 /nfs/dbraw/zinc/28/95/78/182289578.db2.gz GMUBJOCGLCSIBW-UHFFFAOYSA-N 0 0 317.270 3.542 50 0 DHAARN Cc1ccccc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl ZINC000021806947 182291211 /nfs/dbraw/zinc/29/12/11/182291211.db2.gz OBICGZWIQBXJBA-UHFFFAOYSA-N 0 0 317.698 3.653 50 0 DHAARN CC[C@H](C(=O)n1nc(-c2cccc(C)c2)nc1N)c1ccccc1 ZINC000021804815 182291228 /nfs/dbraw/zinc/29/12/28/182291228.db2.gz OHJDFYJZTWBKSR-INIZCTEOSA-N 0 0 320.396 3.670 50 0 DHAARN Cc1ccc(-n2ccnc(NCCc3ccccc3)c2=O)c(C)c1 ZINC000021910876 182298376 /nfs/dbraw/zinc/29/83/76/182298376.db2.gz GIPIZYWYTPIYQR-UHFFFAOYSA-N 0 0 319.408 3.504 50 0 DHAARN CCc1cc(O[C@@H](CC)C(=O)Nc2cc(C)on2)ccc1Cl ZINC000021842126 182294738 /nfs/dbraw/zinc/29/47/38/182294738.db2.gz LDVSWNZSJIHPJX-AWEZNQCLSA-N 0 0 322.792 3.995 50 0 DHAARN Cc1ccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)cc1 ZINC000021885673 182295828 /nfs/dbraw/zinc/29/58/28/182295828.db2.gz OFZNDEPRAUJVQB-UHFFFAOYSA-N 0 0 322.330 3.742 50 0 DHAARN O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccccn1 ZINC000021895857 182297401 /nfs/dbraw/zinc/29/74/01/182297401.db2.gz XPBRQWMWZAUPES-UHFFFAOYSA-N 0 0 306.365 3.591 50 0 DHAARN Cc1cc(-n2c(C)cc(C(=O)N3CCc4ccccc43)c2C)no1 ZINC000022008024 182303593 /nfs/dbraw/zinc/30/35/93/182303593.db2.gz RNENXJWUBJKBDG-UHFFFAOYSA-N 0 0 321.380 3.593 50 0 DHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000022131546 182310092 /nfs/dbraw/zinc/31/00/92/182310092.db2.gz IOXMRPRPTOVBAG-MRXNPFEDSA-N 0 0 310.353 3.932 50 0 DHAARN Cc1cccc(Nc2nc(NCCC(C)C)nc3c2cnn3C)c1 ZINC000021928821 182299039 /nfs/dbraw/zinc/29/90/39/182299039.db2.gz PJGIKZYIHPJIRU-UHFFFAOYSA-N 0 0 324.432 3.873 50 0 DHAARN CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)c1ccc(Cl)cc1 ZINC000022284139 182316395 /nfs/dbraw/zinc/31/63/95/182316395.db2.gz FWCIPCRBIOKBGT-MRXNPFEDSA-N 0 0 319.836 3.500 50 0 DHAARN O=C(c1ccccc1)c1ccc(OCCCCn2ccnc2)cc1 ZINC000022309808 182317162 /nfs/dbraw/zinc/31/71/62/182317162.db2.gz NGGPMKBFEFRTHN-UHFFFAOYSA-N 0 0 320.392 3.973 50 0 DHAARN CCSCCNC(=O)c1c(C)noc1-c1ccccc1Cl ZINC000022334977 182318948 /nfs/dbraw/zinc/31/89/48/182318948.db2.gz OEYARASNDIGNTC-UHFFFAOYSA-N 0 0 324.833 3.786 50 0 DHAARN Cc1noc(C)c1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000022629641 182329161 /nfs/dbraw/zinc/32/91/61/182329161.db2.gz MTNRRAGSVQXGEW-UHFFFAOYSA-N 0 0 323.396 3.793 50 0 DHAARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCc1ccco1 ZINC000022639558 182329777 /nfs/dbraw/zinc/32/97/77/182329777.db2.gz WKQUQTSBGRVWQE-UHFFFAOYSA-N 0 0 316.744 3.826 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)cc21 ZINC000022685131 182330611 /nfs/dbraw/zinc/33/06/11/182330611.db2.gz KHIXPWZUJFHJDJ-RISCZKNCSA-N 0 0 301.390 3.655 50 0 DHAARN c1nc2nc(-c3ccccc3)cc(N3CCCCCCCC3)n2n1 ZINC000022653541 182330614 /nfs/dbraw/zinc/33/06/14/182330614.db2.gz NZZICWOUITUQEH-UHFFFAOYSA-N 0 0 321.428 3.952 50 0 DHAARN CC(C)c1nnc(SCc2csc(-c3ccco3)n2)[nH]1 ZINC000022518258 182324483 /nfs/dbraw/zinc/32/44/83/182324483.db2.gz FEXAJJASCDFUNG-UHFFFAOYSA-N 0 0 306.416 3.937 50 0 DHAARN Cc1nc(-c2cccs2)sc1C(=O)OCc1ccccn1 ZINC000023038029 182344787 /nfs/dbraw/zinc/34/47/87/182344787.db2.gz ZDIOBIJMYLBYQU-UHFFFAOYSA-N 0 0 316.407 3.932 50 0 DHAARN Cc1ccsc1C(=O)NC[C@H](Nc1ccccc1)C(C)C ZINC000022878137 182338961 /nfs/dbraw/zinc/33/89/61/182338961.db2.gz HLLPZKMUVBBDQR-HNNXBMFYSA-N 0 0 302.443 3.923 50 0 DHAARN CC1CCN(C(=O)c2csc(Nc3ccccc3)n2)CC1 ZINC000023136817 182350890 /nfs/dbraw/zinc/35/08/90/182350890.db2.gz RGCGHWNQRJFLGB-UHFFFAOYSA-N 0 0 301.415 3.759 50 0 DHAARN Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)nc1-c1cccc(Cl)c1 ZINC000023251308 182354588 /nfs/dbraw/zinc/35/45/88/182354588.db2.gz XPIVHZGUGQNCIJ-ZDUSSCGKSA-N 0 0 317.820 3.763 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCc2cnn(-c3ccccc3)c2)o1 ZINC000023306437 182356446 /nfs/dbraw/zinc/35/64/46/182356446.db2.gz BBHKAVFUXPYPQT-OAHLLOKOSA-N 0 0 323.396 3.584 50 0 DHAARN O=C(Cc1cccs1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000023042360 182345332 /nfs/dbraw/zinc/34/53/32/182345332.db2.gz ZCYKBLYXNXKNHW-UHFFFAOYSA-N 0 0 315.316 3.870 50 0 DHAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CC1 ZINC000023053317 182346166 /nfs/dbraw/zinc/34/61/66/182346166.db2.gz LSZVKBJMQDLJTJ-UHFFFAOYSA-N 0 0 321.829 3.693 50 0 DHAARN Cc1c(C(=O)N2CCCC2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000023055223 182346436 /nfs/dbraw/zinc/34/64/36/182346436.db2.gz GNZFFUULFWMISK-UHFFFAOYSA-N 0 0 317.458 3.842 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1cnc2ccc(Cl)cc2c1O ZINC000023118803 182348253 /nfs/dbraw/zinc/34/82/53/182348253.db2.gz UZVVRJXAYBZDLA-UHFFFAOYSA-N 0 0 316.719 3.573 50 0 DHAARN C[C@]12CCCCC1=N[C@@H](c1ccc(Br)cc1)N2O ZINC000023114667 182348510 /nfs/dbraw/zinc/34/85/10/182348510.db2.gz YDHRIITUKRMOGQ-KGLIPLIRSA-N 0 0 309.207 3.926 50 0 DHAARN CCc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1 ZINC000023532327 182362951 /nfs/dbraw/zinc/36/29/51/182362951.db2.gz ZGRFXKADKFBRTJ-UHFFFAOYSA-N 0 0 320.443 3.695 50 0 DHAARN c1csc(Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)n1 ZINC000023619070 182363811 /nfs/dbraw/zinc/36/38/11/182363811.db2.gz RZWDXKWZHJSGIA-UHFFFAOYSA-N 0 0 319.393 3.512 50 0 DHAARN CCCOc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000023646748 182365574 /nfs/dbraw/zinc/36/55/74/182365574.db2.gz XSDCHDFYZOHHDM-QGZVFWFLSA-N 0 0 311.381 3.729 50 0 DHAARN Cc1nc(-c2ccc(Oc3ncnc4ccccc43)cc2)no1 ZINC000024059317 182374364 /nfs/dbraw/zinc/37/43/64/182374364.db2.gz MMKCGWCDQQUVOM-UHFFFAOYSA-N 0 0 304.309 3.781 50 0 DHAARN C[C@@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000024263185 182378228 /nfs/dbraw/zinc/37/82/28/182378228.db2.gz OFXMPMDHQPPXEK-OGQTVDGUSA-N 0 0 301.430 3.633 50 0 DHAARN COc1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1F ZINC000023791572 182369023 /nfs/dbraw/zinc/36/90/23/182369023.db2.gz UDQTZLMYWREFPL-CSKARUKUSA-N 0 0 303.377 3.854 50 0 DHAARN C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)c1nc(C(C)(C)C)no1 ZINC000023949414 182370234 /nfs/dbraw/zinc/37/02/34/182370234.db2.gz BRGYVBMDLXBGKY-MRVPVSSYSA-N 0 0 323.780 3.521 50 0 DHAARN CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000023993770 182371645 /nfs/dbraw/zinc/37/16/45/182371645.db2.gz GMMSBXVJTWWSJA-CQSZACIVSA-N 0 0 305.443 3.943 50 0 DHAARN O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1cccs1 ZINC000024033176 182372873 /nfs/dbraw/zinc/37/28/73/182372873.db2.gz DNXATFXVVYISJP-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN CC(=O)Nc1nc(CN2CCC[C@@H]2c2cccs2)cs1 ZINC000024821971 182392032 /nfs/dbraw/zinc/39/20/32/182392032.db2.gz OXECJHOSDPOBBM-GFCCVEGCSA-N 0 0 307.444 3.500 50 0 DHAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccoc1C ZINC000024388462 182380284 /nfs/dbraw/zinc/38/02/84/182380284.db2.gz AEYPUEKUBOMAEH-UHFFFAOYSA-N 0 0 323.396 3.663 50 0 DHAARN Fc1cc2ncn(Cc3cc(-c4ccco4)on3)c2cc1F ZINC000024426828 182380364 /nfs/dbraw/zinc/38/03/64/182380364.db2.gz QXBSZUAESKHLQE-UHFFFAOYSA-N 0 0 301.252 3.611 50 0 DHAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)N[C@@H](C)c1ccncc1 ZINC000024541980 182383037 /nfs/dbraw/zinc/38/30/37/182383037.db2.gz MZUKBBMHMOPDNT-ZDUSSCGKSA-N 0 0 307.397 3.600 50 0 DHAARN Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)[nH]1 ZINC000024575913 182383847 /nfs/dbraw/zinc/38/38/47/182383847.db2.gz BWFRVNLDMIMXBG-UHFFFAOYSA-N 0 0 312.291 3.825 50 0 DHAARN CCn1cnnc1-c1cccc(NC(=O)c2ccc(C)c(F)c2)c1 ZINC000024581426 182384747 /nfs/dbraw/zinc/38/47/47/182384747.db2.gz OWVFVTRGJNSRDV-UHFFFAOYSA-N 0 0 324.359 3.665 50 0 DHAARN O=C(Nc1ccc(-n2cccn2)cc1)c1cccc2cccnc21 ZINC000024711068 182388549 /nfs/dbraw/zinc/38/85/49/182388549.db2.gz WKFCRVCZKGUTAI-UHFFFAOYSA-N 0 0 314.348 3.673 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccoc1 ZINC000024987584 182397727 /nfs/dbraw/zinc/39/77/27/182397727.db2.gz CCUVWJUNAOULKY-GOSISDBHSA-N 0 0 317.348 3.675 50 0 DHAARN O=C(NCc1ccccc1F)c1sccc1-n1cccc1 ZINC000025153668 182402831 /nfs/dbraw/zinc/40/28/31/182402831.db2.gz AWDFOGFSJLADPS-UHFFFAOYSA-N 0 0 300.358 3.608 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1C ZINC000024830727 182392612 /nfs/dbraw/zinc/39/26/12/182392612.db2.gz 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QXUVQIPBULZJCH-LBPRGKRZSA-N 0 0 322.821 3.854 50 0 DHAARN C[C@@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)c1nccn1C ZINC000183059793 337191157 /nfs/dbraw/zinc/19/11/57/337191157.db2.gz BXRFCZKCOXVGOB-LSDHHAIUSA-N 0 0 306.413 3.894 50 0 DHAARN c1ccc(CCCc2nnc(SC3CCOCC3)o2)cc1 ZINC000097095822 337382127 /nfs/dbraw/zinc/38/21/27/337382127.db2.gz HBINGKCHNNYXPY-UHFFFAOYSA-N 0 0 304.415 3.516 50 0 DHAARN C[C@H]1CN(C(=O)Nc2cccc3c2OCCO3)[C@@H]1c1ccccc1 ZINC000097099308 337382166 /nfs/dbraw/zinc/38/21/66/337382166.db2.gz YCHPTXZRSRHHBY-GUYCJALGSA-N 0 0 324.380 3.683 50 0 DHAARN Cn1cnnc1[C@@H]1CCCN1Cc1ccc(Oc2ccccc2)o1 ZINC000097236457 337382391 /nfs/dbraw/zinc/38/23/91/337382391.db2.gz LPIRTTMCISSESJ-INIZCTEOSA-N 0 0 324.384 3.538 50 0 DHAARN CCOc1cc(Cl)ccc1C(=O)N(C)CCC(F)(F)F ZINC000097233622 337382515 /nfs/dbraw/zinc/38/25/15/337382515.db2.gz NNIODFKSYMKPBA-UHFFFAOYSA-N 0 0 309.715 3.763 50 0 DHAARN COc1ccccc1[S@@](=O)Cc1ncc(Cl)cc1Cl ZINC000163602812 337383389 /nfs/dbraw/zinc/38/33/89/337383389.db2.gz VBDNQVVVGWHUCT-LJQANCHMSA-N 0 0 316.209 3.705 50 0 DHAARN COc1ccc(CCC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000031561516 337391597 /nfs/dbraw/zinc/39/15/97/337391597.db2.gz FDMBVKQAPKKSPF-UHFFFAOYSA-N 0 0 321.380 3.657 50 0 DHAARN O=C(c1csc(-c2ccoc2)n1)N1CCCc2ccccc2C1 ZINC000170992315 337667789 /nfs/dbraw/zinc/66/77/89/337667789.db2.gz NRPKNHCWUOTFAO-UHFFFAOYSA-N 0 0 324.405 3.992 50 0 DHAARN CCc1nc(C)c([C@H](C)N(C)C(=O)c2sccc2OC)s1 ZINC000119914610 337866177 /nfs/dbraw/zinc/86/61/77/337866177.db2.gz TXYQATOYGFSVCM-JTQLQIEISA-N 0 0 324.471 3.917 50 0 DHAARN c1ccc(-c2nnc(OC[C@H]3CCC4(CCCCC4)O3)o2)cc1 ZINC000191821436 338672643 /nfs/dbraw/zinc/67/26/43/338672643.db2.gz NGWQEGSXZBTXCO-OAHLLOKOSA-N 0 0 314.385 3.997 50 0 DHAARN C[C@H](C1CC1)n1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn1 ZINC000450788983 338705526 /nfs/dbraw/zinc/70/55/26/338705526.db2.gz VGLCKTVMTSBDFG-SECBINFHSA-N 0 0 324.306 3.520 50 0 DHAARN CC(C)c1nc2ccc(NC(=O)NC3CCOCC3)cc2s1 ZINC000066980132 340853296 /nfs/dbraw/zinc/85/32/96/340853296.db2.gz PAHDQDLUOQMRPX-UHFFFAOYSA-N 0 0 319.430 3.720 50 0 DHAARN Cc1csc([C@H]2CCCCN2C(=O)C[C@@H](C)n2cccc2)n1 ZINC000072286824 341073265 /nfs/dbraw/zinc/07/32/65/341073265.db2.gz DWKKCCIXPLXXBS-HUUCEWRRSA-N 0 0 317.458 3.958 50 0 DHAARN Cc1csc([C@@H]2CCCCN2C(=O)C[C@@H](C)n2cccc2)n1 ZINC000072286823 341073361 /nfs/dbraw/zinc/07/33/61/341073361.db2.gz DWKKCCIXPLXXBS-CABCVRRESA-N 0 0 317.458 3.958 50 0 DHAARN Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2 ZINC000000509214 518194597 /nfs/dbraw/zinc/19/45/97/518194597.db2.gz WEOVRRATIGZAQZ-UHFFFAOYSA-N 0 0 314.776 3.977 50 0 DHAARN CCCn1cc(C(=O)N2CCCSc3ccc(F)cc32)cn1 ZINC000190443759 521644328 /nfs/dbraw/zinc/64/43/28/521644328.db2.gz IMLQPAUPTFEYCY-UHFFFAOYSA-N 0 0 319.405 3.575 50 0 DHAARN Fc1ccc(Cl)c(CNc2ccn(CC(F)(F)F)n2)c1 ZINC000187304466 526346945 /nfs/dbraw/zinc/34/69/45/526346945.db2.gz WAOJCDCLPJPBNQ-UHFFFAOYSA-N 0 0 307.678 3.850 50 0 DHAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000131529308 526508849 /nfs/dbraw/zinc/50/88/49/526508849.db2.gz LUQBFGTUGWPVPX-PSLIRLAXSA-N 0 0 317.820 3.587 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000131529529 526518982 /nfs/dbraw/zinc/51/89/82/526518982.db2.gz LUQBFGTUGWPVPX-VFZGTOFNSA-N 0 0 317.820 3.587 50 0 DHAARN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000155073433 526557677 /nfs/dbraw/zinc/55/76/77/526557677.db2.gz DVPSMRBDSITYKZ-SMDDNHRTSA-N 0 0 302.374 3.742 50 0 DHAARN C=Cc1ccc(C(=O)N(C)c2ncccc2Br)cc1 ZINC000328590628 527641783 /nfs/dbraw/zinc/64/17/83/527641783.db2.gz ZLEDOWVLYYCZFN-UHFFFAOYSA-N 0 0 317.186 3.764 50 0 DHAARN CCOc1ccc(CC(=O)N[C@@H](c2ncccc2C)C2CC2)cc1 ZINC000299798840 528418607 /nfs/dbraw/zinc/41/86/07/528418607.db2.gz SWUYLMCPQWYLLD-HXUWFJFHSA-N 0 0 324.424 3.599 50 0 DHAARN Cn1cc(CN(Cc2cccc(C(F)(F)F)c2)C2CC2)cn1 ZINC000097506115 563539381 /nfs/dbraw/zinc/53/93/81/563539381.db2.gz ONFZMXYQSSIZEO-UHFFFAOYSA-N 0 0 309.335 3.604 50 0 DHAARN COC(=O)c1cccc(-c2ccc(C(=O)OC)c(Cl)c2)c1 ZINC000097757002 563541592 /nfs/dbraw/zinc/54/15/92/563541592.db2.gz NAYUXDLIZBOAEJ-UHFFFAOYSA-N 0 0 304.729 3.580 50 0 DHAARN O=C1CS[C@H](c2cccc(F)c2)N1c1ccc(F)cc1F ZINC000000423929 563612236 /nfs/dbraw/zinc/61/22/36/563612236.db2.gz TYDLKAQCFDEART-OAHLLOKOSA-N 0 0 309.312 3.883 50 0 DHAARN CSc1ccc2c(c1)CCN(C(=O)c1cc(Cl)c[nH]1)C2 ZINC000215126089 563703863 /nfs/dbraw/zinc/70/38/63/563703863.db2.gz ZDMMFEZMTHRNMC-UHFFFAOYSA-N 0 0 306.818 3.589 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)COc2cccc(Cl)c2)c1C ZINC000007890603 563864204 /nfs/dbraw/zinc/86/42/04/563864204.db2.gz LYVIWTIEBMIOMS-UHFFFAOYSA-N 0 0 305.761 3.749 50 0 DHAARN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2ccsc2)C1 ZINC000089919324 563912274 /nfs/dbraw/zinc/91/22/74/563912274.db2.gz QRHSULKBNDXXDQ-MRXNPFEDSA-N 0 0 324.446 3.724 50 0 DHAARN CNc1nnc(SCc2csc(-c3ccc(C)o3)n2)s1 ZINC000032328871 563945445 /nfs/dbraw/zinc/94/54/45/563945445.db2.gz MRUPMLAUZGJGLP-UHFFFAOYSA-N 0 0 324.456 3.897 50 0 DHAARN CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000000123787 563220385 /nfs/dbraw/zinc/22/03/85/563220385.db2.gz NELKGAQQVOGJFD-UHFFFAOYSA-N 0 0 303.745 3.560 50 0 DHAARN O=S(=O)(Cc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000000304071 563238462 /nfs/dbraw/zinc/23/84/62/563238462.db2.gz NNLUGEZFTNIXCB-UHFFFAOYSA-N 0 0 316.209 3.935 50 0 DHAARN COc1cc(C=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 ZINC000000317763 563240869 /nfs/dbraw/zinc/24/08/69/563240869.db2.gz HBVPGFSJJVNADM-UHFFFAOYSA-N 0 0 304.729 3.689 50 0 DHAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cn1 ZINC000007167949 563336821 /nfs/dbraw/zinc/33/68/21/563336821.db2.gz BSBWUIICFAFLPV-VIFPVBQESA-N 0 0 311.168 3.794 50 0 DHAARN CCCCNC(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 ZINC000002764520 563341500 /nfs/dbraw/zinc/34/15/00/563341500.db2.gz MGXAQWHBAHLMSG-UHFFFAOYSA-N 0 0 320.824 3.815 50 0 DHAARN COc1ccc(CSCC(=O)N(C)c2ccccc2)cc1 ZINC000013668341 563385148 /nfs/dbraw/zinc/38/51/48/563385148.db2.gz LWSUMFJHHOBLPY-UHFFFAOYSA-N 0 0 301.411 3.591 50 0 DHAARN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000032818358 563398545 /nfs/dbraw/zinc/39/85/45/563398545.db2.gz SUZWGIFKBFYTCK-ZIAGYGMSSA-N 0 0 315.335 3.615 50 0 DHAARN Cc1ccccc1OCC(=O)N[C@@H](c1cccs1)C(C)C ZINC000010852296 563418961 /nfs/dbraw/zinc/41/89/61/563418961.db2.gz GHORBDBLNQBDQV-QGZVFWFLSA-N 0 0 303.427 3.949 50 0 DHAARN COCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000027872579 563430013 /nfs/dbraw/zinc/43/00/13/563430013.db2.gz YBLDFFJOBIYORD-UONOGXRCSA-N 0 0 315.335 3.684 50 0 DHAARN Cc1nc(C)c(C(=O)N2CCSc3ccc(Cl)cc32)o1 ZINC000096451135 563483040 /nfs/dbraw/zinc/48/30/40/563483040.db2.gz NHZFZMNHWQZKRK-UHFFFAOYSA-N 0 0 308.790 3.697 50 0 DHAARN C[C@H](Nc1cccc(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000097037048 563504203 /nfs/dbraw/zinc/50/42/03/563504203.db2.gz YHJYGFJXAGYBDI-JTQLQIEISA-N 0 0 311.353 3.541 50 0 DHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCC1 ZINC000000029868 563211246 /nfs/dbraw/zinc/21/12/46/563211246.db2.gz JAQFHSDXNIAHBZ-UHFFFAOYSA-N 0 0 304.777 3.976 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)c1cccs1)CCCC2 ZINC000000038874 563211568 /nfs/dbraw/zinc/21/15/68/563211568.db2.gz XBBLOJXIFRIULG-UHFFFAOYSA-N 0 0 321.423 3.727 50 0 DHAARN Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc43)cc2o1 ZINC000000008794 563211155 /nfs/dbraw/zinc/21/11/55/563211155.db2.gz AKMNUCBQGHFICM-UHFFFAOYSA-N 0 0 319.324 3.723 50 0 in-vitro DHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000000030653 563211207 /nfs/dbraw/zinc/21/12/07/563211207.db2.gz UQACLMGFODOEJL-NSHDSACASA-N 0 0 305.761 3.755 50 0 DHAARN CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC ZINC000000027957 563211072 /nfs/dbraw/zinc/21/10/72/563211072.db2.gz RFVQTPYTQBSEPF-UHFFFAOYSA-N 0 0 309.412 3.719 50 0 DHAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 ZINC000000027927 563211079 /nfs/dbraw/zinc/21/10/79/563211079.db2.gz ZSRGCRQVTSTQMR-UHFFFAOYSA-N 0 0 305.333 3.863 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000031004 563211271 /nfs/dbraw/zinc/21/12/71/563211271.db2.gz QJBZODULKAYYJB-UHFFFAOYSA-N 0 0 302.761 3.575 50 0 DHAARN CC(C)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000000045569 563211725 /nfs/dbraw/zinc/21/17/25/563211725.db2.gz HWTXWALTBDBCNM-GZTJUZNOSA-N 0 0 320.417 3.580 50 0 DHAARN S=c1oc(-c2ccccc2Cl)nn1CN1CCCCC1 ZINC000000050034 563211811 /nfs/dbraw/zinc/21/18/11/563211811.db2.gz NQGLJXQKLCMIMG-UHFFFAOYSA-N 0 0 309.822 3.969 50 0 DHAARN CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000000048267 563211921 /nfs/dbraw/zinc/21/19/21/563211921.db2.gz IANBWWKJDIHYFC-UHFFFAOYSA-N 0 0 309.321 3.862 50 0 DHAARN CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000000052824 563211954 /nfs/dbraw/zinc/21/19/54/563211954.db2.gz SDFUQJBJIUAMFM-UHFFFAOYSA-N 0 0 302.399 3.529 50 0 DHAARN COc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000000054771 563212017 /nfs/dbraw/zinc/21/20/17/563212017.db2.gz UPQBUSFVHWZAKF-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN CC1(C)Cc2nc(NC(=O)C=Cc3ccco3)sc2C(=O)C1 ZINC000000069624 563212730 /nfs/dbraw/zinc/21/27/30/563212730.db2.gz GDCOSNVLMOQEOM-AATRIKPKSA-N 0 0 316.382 3.543 50 0 DHAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000000068220 563212782 /nfs/dbraw/zinc/21/27/82/563212782.db2.gz MYKFPRWPSCFBKB-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN O=C1C[C@H](c2ccccc2)Sc2nc(-c3ccccc3)nn21 ZINC000000067604 563212883 /nfs/dbraw/zinc/21/28/83/563212883.db2.gz MYWSKLXKIPQBEE-CQSZACIVSA-N 0 0 307.378 3.822 50 0 DHAARN CC[C@H](C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000000074043 563213596 /nfs/dbraw/zinc/21/35/96/563213596.db2.gz HUCOEHWAMOBMNX-VIFPVBQESA-N 0 0 315.320 3.689 50 0 DHAARN CC(C)n1c2ccccc2nc1[C@@H](O)c1ccc(N(C)C)cc1 ZINC000000079069 563214146 /nfs/dbraw/zinc/21/41/46/563214146.db2.gz PFLZRXOGERDGRL-SFHVURJKSA-N 0 0 309.413 3.765 50 0 DHAARN Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1O ZINC000000077819 563214172 /nfs/dbraw/zinc/21/41/72/563214172.db2.gz SFSIMNVEECZLQA-UHFFFAOYSA-N 0 0 306.159 3.715 50 0 DHAARN CCOc1ccccc1NC(=O)COc1cccc(Cl)c1 ZINC000000094104 563215862 /nfs/dbraw/zinc/21/58/62/563215862.db2.gz SARGUVCLMBKGRG-UHFFFAOYSA-N 0 0 305.761 3.756 50 0 DHAARN Cc1nc2scc(-c3cccs3)c2c(=O)n1-n1cccc1 ZINC000000091915 563215932 /nfs/dbraw/zinc/21/59/32/563215932.db2.gz IKKGAMCUKQOJMU-UHFFFAOYSA-N 0 0 313.407 3.608 50 0 DHAARN CN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000101844 563217671 /nfs/dbraw/zinc/21/76/71/563217671.db2.gz OGKIQNBLJJQJBU-UHFFFAOYSA-N 0 0 322.257 3.947 50 0 DHAARN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000102648 563217677 /nfs/dbraw/zinc/21/76/77/563217677.db2.gz SOFDUICRCUMOJF-UHFFFAOYSA-N 0 0 302.182 3.794 50 0 DHAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)cc3C)cc2c1 ZINC000000105729 563217975 /nfs/dbraw/zinc/21/79/75/563217975.db2.gz UUBRIUOQBTXIEL-UHFFFAOYSA-N 0 0 323.348 3.671 50 0 DHAARN O=C(NCc1ccc(-c2csnn2)cc1)Nc1ccccc1 ZINC000000106458 563218142 /nfs/dbraw/zinc/21/81/42/563218142.db2.gz UFGMDSHZQUXUDO-UHFFFAOYSA-N 0 0 310.382 3.527 50 0 DHAARN COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1N ZINC000000108538 563218896 /nfs/dbraw/zinc/21/88/96/563218896.db2.gz FYUVISRLFPIWPP-UHFFFAOYSA-N 0 0 301.289 3.803 50 0 DHAARN O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccco1 ZINC000000116573 563219238 /nfs/dbraw/zinc/21/92/38/563219238.db2.gz JMLBSGPVERSESC-UHFFFAOYSA-N 0 0 307.349 3.642 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000000121711 563220570 /nfs/dbraw/zinc/22/05/70/563220570.db2.gz LMRDBLVJPNPLSP-UHFFFAOYSA-N 0 0 319.788 3.847 50 0 biogenic DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1F ZINC000000133338 563222195 /nfs/dbraw/zinc/22/21/95/563222195.db2.gz FXPRZXZEQXDSEH-UHFFFAOYSA-N 0 0 307.346 3.543 50 0 DHAARN O=C1c2ccccc2-c2ccc(I)cc21 ZINC000000133555 563222246 /nfs/dbraw/zinc/22/22/46/563222246.db2.gz VRRWYZJLVCUFPU-UHFFFAOYSA-N 0 0 306.102 3.503 50 0 DHAARN COC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000000138214 563222597 /nfs/dbraw/zinc/22/25/97/563222597.db2.gz PNESQWXGPFSLQZ-UHFFFAOYSA-N 0 0 306.745 3.714 50 0 biogenic DHAARN CC(C)NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000000141226 563223181 /nfs/dbraw/zinc/22/31/81/563223181.db2.gz NABVAMMLTYHGJI-UHFFFAOYSA-N 0 0 311.425 3.916 50 0 DHAARN O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1ccccc1 ZINC000000144044 563223968 /nfs/dbraw/zinc/22/39/68/563223968.db2.gz HKRIOXWUKJQBCJ-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN O=C(Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1 ZINC000000144060 563224143 /nfs/dbraw/zinc/22/41/43/563224143.db2.gz XKDRMCXMNRVMDM-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN Cc1cc2[nH]c(C(=O)N3CCc4ccccc4C3)cc2c(C)c1 ZINC000000154766 563225120 /nfs/dbraw/zinc/22/51/20/563225120.db2.gz MTFLSMTVMBYBGH-UHFFFAOYSA-N 0 0 304.393 3.983 50 0 DHAARN Cc1ccc([C@@H](O)COC2=NCNc3cc(Cl)ccc32)cc1 ZINC000000155220 563225150 /nfs/dbraw/zinc/22/51/50/563225150.db2.gz NAFDYDJWCWYNBJ-INIZCTEOSA-N 0 0 316.788 3.528 50 0 DHAARN Ic1cccc(OCc2ccccc2)c1 ZINC000000157048 563225765 /nfs/dbraw/zinc/22/57/65/563225765.db2.gz QMKHOPJXDQAHBG-UHFFFAOYSA-N 0 0 310.134 3.870 50 0 DHAARN Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(F)cc1 ZINC000000157329 563225853 /nfs/dbraw/zinc/22/58/53/563225853.db2.gz IRNFLRZZSCRLSQ-UHFFFAOYSA-N 0 0 310.332 3.870 50 0 DHAARN Cc1ccc(SCCS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000165289 563226347 /nfs/dbraw/zinc/22/63/47/563226347.db2.gz CRGRIMREFZQUPF-UHFFFAOYSA-N 0 0 306.452 3.869 50 0 DHAARN O=C(Nc1ncccn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000168359 563226439 /nfs/dbraw/zinc/22/64/39/563226439.db2.gz OGMTYYMYIJQLGK-INIZCTEOSA-N 0 0 321.405 3.949 50 0 DHAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccnc1 ZINC000000170823 563226882 /nfs/dbraw/zinc/22/68/82/563226882.db2.gz VBCZYDDCAJNGFG-UHFFFAOYSA-N 0 0 311.168 3.714 50 0 DHAARN COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000000168970 563226924 /nfs/dbraw/zinc/22/69/24/563226924.db2.gz RINQBCYVFAICBD-UHFFFAOYSA-N 0 0 309.409 3.937 50 0 biogenic DHAARN CCOC(=O)c1nnsc1Sc1ccc(Cl)cc1 ZINC000000169418 563227045 /nfs/dbraw/zinc/22/70/45/563227045.db2.gz LSMQTEYOAVHDNS-UHFFFAOYSA-N 0 0 300.792 3.519 50 0 DHAARN c1sc(-c2cccnc2)nc1-c1nnc(-c2ccccc2)o1 ZINC000000172653 563227618 /nfs/dbraw/zinc/22/76/18/563227618.db2.gz FTFJPDGUZZKKIW-UHFFFAOYSA-N 0 0 306.350 3.922 50 0 DHAARN O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1C1CCCCC1 ZINC000000210928 563230907 /nfs/dbraw/zinc/23/09/07/563230907.db2.gz SPHWHUUORWKFGS-NRFANRHFSA-N 0 0 321.420 3.863 50 0 DHAARN COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCCC2)n1 ZINC000000213228 563231141 /nfs/dbraw/zinc/23/11/41/563231141.db2.gz QEBSQVHHCCHYHI-UHFFFAOYSA-N 0 0 323.318 3.771 50 0 DHAARN O=C(NC1CCCCCCC1)c1ccc(Br)o1 ZINC000000235924 563232298 /nfs/dbraw/zinc/23/22/98/563232298.db2.gz QHJMYECJBHGFHH-UHFFFAOYSA-N 0 0 300.196 3.885 50 0 DHAARN Cc1nnc2c(Oc3ccc(C)c(C)c3)nc3ccccc3n12 ZINC000000236434 563232311 /nfs/dbraw/zinc/23/23/11/563232311.db2.gz PYXYRQWVSVUEOF-UHFFFAOYSA-N 0 0 304.353 3.995 50 0 DHAARN O=c1oc2ccc(O)c(-c3ccc(Br)cc3)c2s1 ZINC000000234937 563232353 /nfs/dbraw/zinc/23/23/53/563232353.db2.gz WTOWHTGNKWZOIK-UHFFFAOYSA-N 0 0 323.167 3.990 50 0 DHAARN Cc1cccc(NC(=O)Cn2cc(C=O)c3ccccc32)c1C ZINC000000264117 563234789 /nfs/dbraw/zinc/23/47/89/563234789.db2.gz GEGQITSCOIWVEW-UHFFFAOYSA-N 0 0 306.365 3.709 50 0 DHAARN O=S(=O)(NC1CCCCCC1)c1cc(Cl)ccc1Cl ZINC000000272755 563235202 /nfs/dbraw/zinc/23/52/02/563235202.db2.gz FTWWKEYDICEESR-UHFFFAOYSA-N 0 0 322.257 3.995 50 0 DHAARN O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000000284220 563235978 /nfs/dbraw/zinc/23/59/78/563235978.db2.gz RJRILESLEOORFJ-HNNXBMFYSA-N 0 0 307.315 3.519 50 0 DHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cc1ccccc1 ZINC000000320046 563240699 /nfs/dbraw/zinc/24/06/99/563240699.db2.gz BHFKPZMZGJRNFR-UHFFFAOYSA-N 0 0 317.410 3.723 50 0 DHAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2)cc1 ZINC000000342087 563241931 /nfs/dbraw/zinc/24/19/31/563241931.db2.gz OTURJNYUAXNPOI-UHFFFAOYSA-N 0 0 314.410 3.601 50 0 DHAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 ZINC000000350754 563243052 /nfs/dbraw/zinc/24/30/52/563243052.db2.gz YZGHTARWCKZLBU-MRXNPFEDSA-N 0 0 322.408 3.603 50 0 DHAARN COc1cc(C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000000363011 563244741 /nfs/dbraw/zinc/24/47/41/563244741.db2.gz LJDJAXDLWZCNJF-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN COc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000000363705 563245339 /nfs/dbraw/zinc/24/53/39/563245339.db2.gz PPDUNJDKNZCERG-UHFFFAOYSA-N 0 0 312.369 3.542 50 0 DHAARN CCc1ccc(C)c(OC(=O)c2cncc(Br)c2)c1 ZINC000000364181 563245401 /nfs/dbraw/zinc/24/54/01/563245401.db2.gz FKYUYLDMZSZBTO-UHFFFAOYSA-N 0 0 320.186 3.934 50 0 DHAARN COc1ccc(C(=O)Oc2ccc3ccc(O)cc3c2)cc1OC ZINC000000364986 563245867 /nfs/dbraw/zinc/24/58/67/563245867.db2.gz DLRULEFBZCCCLR-UHFFFAOYSA-N 0 0 324.332 3.782 50 0 DHAARN COC(=O)c1cc(-c2cc(OC)ccc2OC)nc2ccccc21 ZINC000000372102 563246373 /nfs/dbraw/zinc/24/63/73/563246373.db2.gz CMQUGJORRIQRJI-UHFFFAOYSA-N 0 0 323.348 3.706 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000000374227 563247076 /nfs/dbraw/zinc/24/70/76/563247076.db2.gz KMGFXDIOHIQPAZ-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN O=C1CCCc2c1c1ccccc1c(=O)n2Cc1ccccc1 ZINC000000384455 563248101 /nfs/dbraw/zinc/24/81/01/563248101.db2.gz YEJXRHCHZBHXOI-UHFFFAOYSA-N 0 0 303.361 3.569 50 0 DHAARN CCCc1cc(C(=O)Nc2ccccc2C(F)(F)F)n(C)n1 ZINC000000385454 563248787 /nfs/dbraw/zinc/24/87/87/563248787.db2.gz BJBLLZNNXCXPJC-UHFFFAOYSA-N 0 0 311.307 3.644 50 0 DHAARN COc1ccc(N2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000000390278 563249461 /nfs/dbraw/zinc/24/94/61/563249461.db2.gz PUFSBHLGMNGOGE-UHFFFAOYSA-N 0 0 317.801 3.885 50 0 DHAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC000000393086 563249964 /nfs/dbraw/zinc/24/99/64/563249964.db2.gz WHLDECCXYMPRNL-UHFFFAOYSA-N 0 0 317.707 3.781 50 0 DHAARN O=C(Nc1ccc(F)cc1)N[C@@H]1NC(c2ccccc2)=CS1 ZINC000000399260 563251074 /nfs/dbraw/zinc/25/10/74/563251074.db2.gz ZRDGMUUXDKGALQ-INIZCTEOSA-N 0 0 315.373 3.566 50 0 DHAARN O=C(NC(=S)Nc1ccccc1)c1cccc2ccccc21 ZINC000000404614 563251351 /nfs/dbraw/zinc/25/13/51/563251351.db2.gz ZSZPVHJTACAZNI-UHFFFAOYSA-N 0 0 306.390 3.967 50 0 DHAARN Ic1ccc(OCc2ccccc2)cc1 ZINC000000403505 563251732 /nfs/dbraw/zinc/25/17/32/563251732.db2.gz MPWFGAWFTAZWKZ-UHFFFAOYSA-N 0 0 310.134 3.870 50 0 DHAARN Cc1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1 ZINC000000408663 563252141 /nfs/dbraw/zinc/25/21/41/563252141.db2.gz UBZLIXYBYIHHSG-UHFFFAOYSA-N 0 0 305.333 3.583 50 0 DHAARN Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3ncnn32)cc1 ZINC000000407838 563252180 /nfs/dbraw/zinc/25/21/80/563252180.db2.gz WVLCOPWKNXKUDI-SJORKVTESA-N 0 0 308.360 3.872 50 0 DHAARN COc1ccc(C)cc1NC(=O)COc1ccc(Cl)cc1C ZINC000000436036 563253883 /nfs/dbraw/zinc/25/38/83/563253883.db2.gz HTSUMLWYWZKWNS-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN COc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000000442416 563254560 /nfs/dbraw/zinc/25/45/60/563254560.db2.gz QPVLRUPEJWXWKD-NSHDSACASA-N 0 0 305.761 3.755 50 0 DHAARN CC(C)CNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000000448014 563255577 /nfs/dbraw/zinc/25/55/77/563255577.db2.gz FJLMRKGEQGGTEQ-VAWYXSNFSA-N 0 0 322.408 3.724 50 0 DHAARN S=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1Cl ZINC000000450477 563256255 /nfs/dbraw/zinc/25/62/55/563256255.db2.gz SGRPXXZDEZDYQN-UHFFFAOYSA-N 0 0 320.801 3.555 50 0 DHAARN Cc1ccccc1CNC(=O)c1ccc(Br)cc1 ZINC000000452004 563256629 /nfs/dbraw/zinc/25/66/29/563256629.db2.gz ZEBQWYZVDIOOJY-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN Cc1ccccc1NC(=O)Cc1ccc(Br)cc1 ZINC000000456858 563258059 /nfs/dbraw/zinc/25/80/59/563258059.db2.gz UTCNYJDXNGLDOT-UHFFFAOYSA-N 0 0 304.187 3.939 50 0 DHAARN COc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000000463590 563258971 /nfs/dbraw/zinc/25/89/71/563258971.db2.gz SYUNZPMPYVFADJ-UHFFFAOYSA-N 0 0 310.397 3.938 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000000465075 563259391 /nfs/dbraw/zinc/25/93/91/563259391.db2.gz HKNHRVTVDQLMCW-UHFFFAOYSA-N 0 0 322.408 3.873 50 0 DHAARN Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2O)c1 ZINC000000467089 563259560 /nfs/dbraw/zinc/25/95/60/563259560.db2.gz CRDVZTGNWDJWTO-UHFFFAOYSA-N 0 0 305.761 3.680 50 0 DHAARN O=C(Nc1cccc(C(=O)Nc2cccnc2)c1)c1ccccc1 ZINC000000465009 563259571 /nfs/dbraw/zinc/25/95/71/563259571.db2.gz GUZWGJYENVJWGM-UHFFFAOYSA-N 0 0 317.348 3.586 50 0 DHAARN CCn1c(C)c(C(C)=O)c(NCc2ccccc2)nc1=S ZINC000000468464 563260251 /nfs/dbraw/zinc/26/02/51/563260251.db2.gz DJEKBHPIXFUTHY-UHFFFAOYSA-N 0 0 301.415 3.756 50 0 DHAARN Cc1ccc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000000470185 563260667 /nfs/dbraw/zinc/26/06/67/563260667.db2.gz ZNYJOJJZKXENEV-UHFFFAOYSA-N 0 0 317.454 3.672 50 0 DHAARN COc1ccc(C=O)cc1CN1CCCC[C@@H]1c1cccnc1 ZINC000000485488 563262994 /nfs/dbraw/zinc/26/29/94/563262994.db2.gz JFLRQHFNVMTJEA-GOSISDBHSA-N 0 0 310.397 3.630 50 0 biogenic DHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@@H]2C ZINC000000519300 563264153 /nfs/dbraw/zinc/26/41/53/563264153.db2.gz ARHZHRUTGKCDRK-TYIJSKFUSA-N 0 0 315.457 3.651 50 0 biogenic DHAARN Clc1ccc(-c2nnc3sc(-c4ccco4)nn32)cc1 ZINC000000520571 563264342 /nfs/dbraw/zinc/26/43/42/563264342.db2.gz MYFVKUBNXNTHBG-UHFFFAOYSA-N 0 0 302.746 3.766 50 0 DHAARN Clc1ccccc1-c1nn2c(nnc2-c2ccco2)s1 ZINC000000526371 563264664 /nfs/dbraw/zinc/26/46/64/563264664.db2.gz LDFCMHFWRMHZCD-UHFFFAOYSA-N 0 0 302.746 3.766 50 0 DHAARN CCOc1ccc(NC(=S)NCc2ccc(OC)cc2)cc1 ZINC000000527819 563264897 /nfs/dbraw/zinc/26/48/97/563264897.db2.gz WWCXGKXLWWTZPN-UHFFFAOYSA-N 0 0 316.426 3.581 50 0 DHAARN CCOc1ccc(-c2nnc3n2NC(C(C)(C)C)=CS3)cc1 ZINC000000532454 563265317 /nfs/dbraw/zinc/26/53/17/563265317.db2.gz GCHYGDHSTHEAEF-UHFFFAOYSA-N 0 0 316.430 3.700 50 0 DHAARN c1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 ZINC000000552294 563265958 /nfs/dbraw/zinc/26/59/58/563265958.db2.gz YYELOAQKPGYMJQ-UHFFFAOYSA-N 0 0 306.394 3.885 50 0 DHAARN OCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000000572662 563267579 /nfs/dbraw/zinc/26/75/79/563267579.db2.gz WJGUARRIXHQBDZ-UHFFFAOYSA-N 0 0 307.180 3.884 50 0 DHAARN CC(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000000608542 563268120 /nfs/dbraw/zinc/26/81/20/563268120.db2.gz NEISJQVSFGMVLZ-KRWDZBQOSA-N 0 0 309.365 3.530 50 0 DHAARN Cc1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000000582909 563268359 /nfs/dbraw/zinc/26/83/59/563268359.db2.gz OZSXJHQACNNWJS-UHFFFAOYSA-N 0 0 311.406 3.627 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000610720 563268730 /nfs/dbraw/zinc/26/87/30/563268730.db2.gz QWJBXGCELYRJJO-GFCCVEGCSA-N 0 0 319.788 3.605 50 0 DHAARN NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1Cl ZINC000000610308 563268936 /nfs/dbraw/zinc/26/89/36/563268936.db2.gz QTWUBTLIJSILDX-UHFFFAOYSA-N 0 0 324.167 3.736 50 0 DHAARN CCn1nc(C)c(NC(=S)NCc2ccc(Cl)cc2)c1C ZINC000000612252 563269365 /nfs/dbraw/zinc/26/93/65/563269365.db2.gz CCPTXFRYWVDMJV-UHFFFAOYSA-N 0 0 322.865 3.660 50 0 DHAARN COc1cccc(OC)c1C(=O)Nc1cccc2c1CCCC2 ZINC000000614187 563269397 /nfs/dbraw/zinc/26/93/97/563269397.db2.gz NWFNQKJPJHWTSH-UHFFFAOYSA-N 0 0 311.381 3.835 50 0 DHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1 ZINC000000616012 563270007 /nfs/dbraw/zinc/27/00/07/563270007.db2.gz ANGJFFCVXZGNOQ-NSHDSACASA-N 0 0 320.186 3.855 50 0 DHAARN CCC(CC)C(=O)Nc1cccc(C(=O)N2CCC[C@H](C)C2)c1 ZINC000000614934 563270192 /nfs/dbraw/zinc/27/01/92/563270192.db2.gz GBJIPUUEVLLLFT-AWEZNQCLSA-N 0 0 316.445 3.933 50 0 DHAARN COc1ccc(NC(=S)Nc2ccccc2F)cc1OC ZINC000000618719 563270396 /nfs/dbraw/zinc/27/03/96/563270396.db2.gz BRIKPSGKNWXNQX-UHFFFAOYSA-N 0 0 306.362 3.652 50 0 DHAARN Cc1ccc(NC(=O)C[C@@H]2COc3ccccc3O2)cc1Cl ZINC000000618515 563270432 /nfs/dbraw/zinc/27/04/32/563270432.db2.gz YKVNWOQRTGVUNE-CYBMUJFWSA-N 0 0 317.772 3.817 50 0 DHAARN COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C ZINC000000617930 563270727 /nfs/dbraw/zinc/27/07/27/563270727.db2.gz VLUWLDUHAKIPDY-UHFFFAOYSA-N 0 0 323.439 3.526 50 0 DHAARN COc1ccc(OC)c(NC(=S)Nc2cccc(C)c2)c1 ZINC000000619605 563271179 /nfs/dbraw/zinc/27/11/79/563271179.db2.gz RBRDZJJVWIADRG-UHFFFAOYSA-N 0 0 302.399 3.821 50 0 DHAARN COc1ccc2c(c1)CCC1C2=NC(=S)N[C@@H]1c1ccccc1 ZINC000000758924 563271851 /nfs/dbraw/zinc/27/18/51/563271851.db2.gz WUNLMWPAPGZYOM-QGZVFWFLSA-N 0 0 322.433 3.572 50 0 DHAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(F)(F)F ZINC000000822786 563272368 /nfs/dbraw/zinc/27/23/68/563272368.db2.gz ZVIJESCCXLZOSA-UHFFFAOYSA-N 0 0 305.259 3.731 50 0 DHAARN CC(C)(C)c1nnc(NC(=O)CSc2ccccc2)s1 ZINC000000860131 563272473 /nfs/dbraw/zinc/27/24/73/563272473.db2.gz FHPCKFNWNZIYAY-UHFFFAOYSA-N 0 0 307.444 3.566 50 0 DHAARN CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000000991018 563273722 /nfs/dbraw/zinc/27/37/22/563273722.db2.gz NPMVZNWTVMWPDO-UHFFFAOYSA-N 0 0 322.408 3.811 50 0 DHAARN CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1 ZINC000000981472 563273801 /nfs/dbraw/zinc/27/38/01/563273801.db2.gz CCIPNZUEBQZXPS-FMIVXFBMSA-N 0 0 308.403 3.571 50 0 DHAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(C)on2)cc1 ZINC000001010685 563274339 /nfs/dbraw/zinc/27/43/39/563274339.db2.gz NPEYEAOPVBSGPN-UHFFFAOYSA-N 0 0 315.373 3.610 50 0 DHAARN COc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1 ZINC000001054081 563275653 /nfs/dbraw/zinc/27/56/53/563275653.db2.gz GWCDUEKRLFAYKM-UHFFFAOYSA-N 0 0 314.366 3.972 50 0 DHAARN COc1ccccc1CCNC(=O)c1cc2c(s1)CCCC2 ZINC000001056440 563276399 /nfs/dbraw/zinc/27/63/99/563276399.db2.gz QUXKOSPDUJEHJH-UHFFFAOYSA-N 0 0 315.438 3.608 50 0 DHAARN Cc1c(C)n(C(=O)CN2CCc3ccccc32)c2ccccc12 ZINC000001069710 563276526 /nfs/dbraw/zinc/27/65/26/563276526.db2.gz YYXWDWYENXQRMB-UHFFFAOYSA-N 0 0 304.393 3.961 50 0 DHAARN CO[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000001095615 563277190 /nfs/dbraw/zinc/27/71/90/563277190.db2.gz MDBYEINLRZQYLP-GOSISDBHSA-N 0 0 311.425 3.988 50 0 DHAARN C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cccnc1 ZINC000071884270 563279272 /nfs/dbraw/zinc/27/92/72/563279272.db2.gz MUNZQVMCJDBZHH-MRXNPFEDSA-N 0 0 317.392 3.880 50 0 DHAARN O=C(Nc1nnc(C2CCCC2)s1)Nc1ccc(F)cc1 ZINC000001247323 563280724 /nfs/dbraw/zinc/28/07/24/563280724.db2.gz RYVGYAIWOBDGIH-UHFFFAOYSA-N 0 0 306.366 3.979 50 0 DHAARN FC(F)(F)Oc1ccc(NCc2nnsc2Cl)cc1 ZINC000001396629 563282021 /nfs/dbraw/zinc/28/20/21/563282021.db2.gz UPHVKIBJAKXIFW-UHFFFAOYSA-N 0 0 309.700 3.702 50 0 DHAARN O=C1c2ccccc2C(=O)N1OCc1cc(Cl)cc(Cl)c1 ZINC000001393250 563282083 /nfs/dbraw/zinc/28/20/83/563282083.db2.gz WEUQHXWTJZCVPQ-UHFFFAOYSA-N 0 0 322.147 3.721 50 0 DHAARN COc1cccc(C(=O)c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000001388219 563282141 /nfs/dbraw/zinc/28/21/41/563282141.db2.gz DKERSMNRMLLQMN-UHFFFAOYSA-N 0 0 315.678 3.993 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000071885970 563282294 /nfs/dbraw/zinc/28/22/94/563282294.db2.gz UMGBGKGTQJGAFA-CYBMUJFWSA-N 0 0 315.417 3.811 50 0 DHAARN COC(=O)c1cc2cc(NC(=O)c3ccccc3)ccc2s1 ZINC000001392862 563282301 /nfs/dbraw/zinc/28/23/01/563282301.db2.gz DDJQSUVCRQNFQG-UHFFFAOYSA-N 0 0 311.362 3.940 50 0 DHAARN COC(=O)[C@H](CC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000001397566 563282313 /nfs/dbraw/zinc/28/23/13/563282313.db2.gz QTTRBGPAYKCILN-OAHLLOKOSA-N 0 0 302.757 3.870 50 0 DHAARN O=C(c1cc(-c2ccc(Cl)cc2)cs1)N1CCOCC1 ZINC000001501435 563284935 /nfs/dbraw/zinc/28/49/35/563284935.db2.gz OEBSTCYDBBDMFV-UHFFFAOYSA-N 0 0 307.802 3.541 50 0 DHAARN Cc1cccc([C@@H](NC(=O)c2ccc3[nH]ccc3c2)C2CC2)n1 ZINC000584901669 563297447 /nfs/dbraw/zinc/29/74/47/563297447.db2.gz AZYPLEPKSVRTCC-SFHVURJKSA-N 0 0 305.381 3.752 50 0 DHAARN C[C@H]1C[C@@H]1c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000071889982 563299717 /nfs/dbraw/zinc/29/97/17/563299717.db2.gz ZCJIXCQYTIIGJN-FZMZJTMJSA-N 0 0 318.804 3.943 50 0 DHAARN CCCCCC(=O)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000002145476 563300333 /nfs/dbraw/zinc/30/03/33/563300333.db2.gz QKRSJCOOLIDDPR-UHFFFAOYSA-N 0 0 302.802 3.872 50 0 DHAARN COc1cccc(OCCNC(=O)c2cccc3ccccc32)c1 ZINC000002190230 563301409 /nfs/dbraw/zinc/30/14/09/563301409.db2.gz HOIWZLZUGSGQHK-UHFFFAOYSA-N 0 0 321.376 3.657 50 0 biogenic DHAARN O=C1C[C@H](c2ccccc2)Cc2nc3nc4ccccc4n3cc21 ZINC000002225228 563302366 /nfs/dbraw/zinc/30/23/66/563302366.db2.gz ZLVJRNOIABYZAW-CQSZACIVSA-N 0 0 313.360 3.795 50 0 DHAARN CCCSc1nnc2c(n1)O[C@H](CC)Nc1ccccc1-2 ZINC000002503166 563304514 /nfs/dbraw/zinc/30/45/14/563304514.db2.gz YQYMXGZNSDCOOO-GFCCVEGCSA-N 0 0 302.403 3.581 50 0 DHAARN COC(=O)/C=C/c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000002518313 563307394 /nfs/dbraw/zinc/30/73/94/563307394.db2.gz VSMVLFKTUMKNRW-MDZDMXLPSA-N 0 0 301.342 3.611 50 0 DHAARN CC(C)(C)C(=O)N[C@@H](Nc1ccco1)C(Cl)(Cl)Cl ZINC000002546470 563308381 /nfs/dbraw/zinc/30/83/81/563308381.db2.gz NSGNSEMYYMFODS-MRVPVSSYSA-N 0 0 313.612 3.550 50 0 DHAARN Clc1nc(Cl)nc(Oc2ccc(Br)cc2)n1 ZINC000002544769 563308616 /nfs/dbraw/zinc/30/86/16/563308616.db2.gz PBAPUAPJFVDUGU-UHFFFAOYSA-N 0 0 320.961 3.733 50 0 DHAARN COc1cccc(NC(=O)c2c(N)sc3c2CCCCC3)c1 ZINC000002558509 563309017 /nfs/dbraw/zinc/30/90/17/563309017.db2.gz HPNIFAPXQWNIIY-UHFFFAOYSA-N 0 0 316.426 3.860 50 0 DHAARN COc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C)C3)cc1 ZINC000002558457 563309148 /nfs/dbraw/zinc/30/91/48/563309148.db2.gz DXKGDORBYCLBRK-JTQLQIEISA-N 0 0 316.426 3.716 50 0 DHAARN Nc1sc2c(c1C(=O)NCc1ccco1)CCCCCC2 ZINC000002558531 563309204 /nfs/dbraw/zinc/30/92/04/563309204.db2.gz YAHYTIKRNCXJNM-UHFFFAOYSA-N 0 0 304.415 3.512 50 0 DHAARN COc1cc(C=O)ccc1OCc1cccc(Br)c1 ZINC000002566727 563309609 /nfs/dbraw/zinc/30/96/09/563309609.db2.gz YWDKLAJVJRMZCI-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN COc1ccc(C=O)cc1OCc1cccc(Br)c1 ZINC000002597501 563310672 /nfs/dbraw/zinc/31/06/72/563310672.db2.gz BAKPSEHMBJUBAJ-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1OC(C)C ZINC000002706856 563311591 /nfs/dbraw/zinc/31/15/91/563311591.db2.gz JLFMCQDQLZJKLD-UHFFFAOYSA-N 0 0 309.365 3.512 50 0 DHAARN CCc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000002713324 563311892 /nfs/dbraw/zinc/31/18/92/563311892.db2.gz MECJNRUNDSFJML-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN CCCNC(=O)c1csc(-c2cccc(OCC(C)C)c2)n1 ZINC000034713050 563313652 /nfs/dbraw/zinc/31/36/52/563313652.db2.gz MKJPRKFSHDRHBM-UHFFFAOYSA-N 0 0 318.442 3.985 50 0 DHAARN CC(C)COc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1 ZINC000034712168 563313930 /nfs/dbraw/zinc/31/39/30/563313930.db2.gz LESJLCPYAKTKQJ-UHFFFAOYSA-N 0 0 316.426 3.737 50 0 DHAARN Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)s1 ZINC000002832557 563314340 /nfs/dbraw/zinc/31/43/40/563314340.db2.gz UCQQVFZRZDZLAY-UHFFFAOYSA-N 0 0 321.471 3.875 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000002823563 563314406 /nfs/dbraw/zinc/31/44/06/563314406.db2.gz RDRQECTUMRRGLE-UHFFFAOYSA-N 0 0 312.369 3.542 50 0 DHAARN Cc1ccc(OCCCCn2cnc3ccccc3c2=O)cc1 ZINC000002863260 563315399 /nfs/dbraw/zinc/31/53/99/563315399.db2.gz YGYXCJKVLSTKJI-UHFFFAOYSA-N 0 0 308.381 3.564 50 0 DHAARN O=c1oc2ccccc2cc1-c1csc(-c2cccnc2)n1 ZINC000002863955 563315619 /nfs/dbraw/zinc/31/56/19/563315619.db2.gz SVPGCGCCNHVDJL-UHFFFAOYSA-N 0 0 306.346 3.979 50 0 DHAARN COCCSc1ccccc1C(=O)N1CCc2ccccc21 ZINC000002865295 563315634 /nfs/dbraw/zinc/31/56/34/563315634.db2.gz CVBDEKSOLXHUBU-UHFFFAOYSA-N 0 0 313.422 3.628 50 0 DHAARN Cc1cc(C)cc(OCC(=O)Nc2cccc3cccnc32)c1 ZINC000002865856 563315772 /nfs/dbraw/zinc/31/57/72/563315772.db2.gz WOQFNLQXWDSLKN-UHFFFAOYSA-N 0 0 306.365 3.869 50 0 DHAARN CCCCc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 ZINC000002879300 563316038 /nfs/dbraw/zinc/31/60/38/563316038.db2.gz CXGNDYFUWGGIAG-UHFFFAOYSA-N 0 0 309.822 3.715 50 0 DHAARN Cc1ccc(Cl)c(OCC(=O)N2CCc3ccccc3C2)c1 ZINC000002872545 563316194 /nfs/dbraw/zinc/31/61/94/563316194.db2.gz HFOLWYMCTQRVQX-UHFFFAOYSA-N 0 0 315.800 3.612 50 0 DHAARN Cc1cccc(C(=O)OCc2ccccc2Br)c1O ZINC000002880253 563316845 /nfs/dbraw/zinc/31/68/45/563316845.db2.gz OHTZMPFUFZGDML-UHFFFAOYSA-N 0 0 321.170 3.820 50 0 DHAARN CC(=O)CSc1sc(=S)sc1SCC(C)=O ZINC000002945515 563318012 /nfs/dbraw/zinc/31/80/12/563318012.db2.gz ISMOLAZFQXBKTE-UHFFFAOYSA-N 0 0 310.512 3.901 50 0 DHAARN O=C1CCCC[C@H]1Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002956763 563318212 /nfs/dbraw/zinc/31/82/12/563318212.db2.gz RGFAFZQQHGKWEB-QGZVFWFLSA-N 0 0 312.365 3.562 50 0 DHAARN COc1cccc(OCCOc2ccc(Br)cc2)c1 ZINC000002986923 563319979 /nfs/dbraw/zinc/31/99/79/563319979.db2.gz SBAGQKRKRNODRE-UHFFFAOYSA-N 0 0 323.186 3.916 50 0 DHAARN COc1ccccc1OCCNC(=O)Nc1cccc(Cl)c1 ZINC000002995633 563320687 /nfs/dbraw/zinc/32/06/87/563320687.db2.gz UWPOTGCXVBOSGD-UHFFFAOYSA-N 0 0 320.776 3.549 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1CC ZINC000003085382 563321621 /nfs/dbraw/zinc/32/16/21/563321621.db2.gz UKKYSAYHOSKACI-CQSZACIVSA-N 0 0 304.434 3.520 50 0 DHAARN CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(C)c1C ZINC000003096075 563321974 /nfs/dbraw/zinc/32/19/74/563321974.db2.gz ALZFYDPCRMEVIN-HNNXBMFYSA-N 0 0 304.434 3.575 50 0 DHAARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000003149148 563322896 /nfs/dbraw/zinc/32/28/96/563322896.db2.gz NPCIPANPLQXVEP-UHFFFAOYSA-N 0 0 312.369 3.629 50 0 DHAARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](/C=C/c2ccccc2)N1 ZINC000003173563 563323291 /nfs/dbraw/zinc/32/32/91/563323291.db2.gz NYBRWZYJSBALAQ-WFJXPABVSA-N 0 0 318.376 3.521 50 0 DHAARN CCN(CC)C(=S)SCC(=O)Nc1c(C)cccc1C ZINC000003157002 563323299 /nfs/dbraw/zinc/32/32/99/563323299.db2.gz VVQNCKALBJLFOF-UHFFFAOYSA-N 0 0 310.488 3.602 50 0 DHAARN CCn1nc(C(=O)N[C@H](C)c2ccccc2)cc1-c1ccco1 ZINC000034900903 563325274 /nfs/dbraw/zinc/32/52/74/563325274.db2.gz PMCOTZNRFHCDBO-CYBMUJFWSA-N 0 0 309.369 3.654 50 0 DHAARN CC[C@H](C)C(=O)N1CCC(n2c(C)nc3ccc(C)cc32)CC1 ZINC000034915435 563325365 /nfs/dbraw/zinc/32/53/65/563325365.db2.gz QOPIGDNNSRLTOU-AWEZNQCLSA-N 0 0 313.445 3.863 50 0 DHAARN O=C(NC1(c2ccc(Cl)cc2)CC1)[C@H]1C[C@@H]1c1cccnc1 ZINC000071899813 563326213 /nfs/dbraw/zinc/32/62/13/563326213.db2.gz VRNYYFAOXFIDEJ-CVEARBPZSA-N 0 0 312.800 3.644 50 0 DHAARN CCS[C@H]1CCCCN(Cc2nccn2CC(F)(F)F)C1 ZINC000071899675 563326423 /nfs/dbraw/zinc/32/64/23/563326423.db2.gz USXGDFFXDHZPLR-LBPRGKRZSA-N 0 0 321.412 3.553 50 0 DHAARN O=C(CCc1ccncc1)N(Cc1ccco1)c1ccccc1 ZINC000071896188 563326437 /nfs/dbraw/zinc/32/64/37/563326437.db2.gz JGMHVXJGBWUZCM-UHFFFAOYSA-N 0 0 306.365 3.841 50 0 DHAARN CCCc1nc(CNC(C)(C)c2cccc(Cl)c2F)no1 ZINC000186886782 563326633 /nfs/dbraw/zinc/32/66/33/563326633.db2.gz QHDLVWTZLFRKRR-UHFFFAOYSA-N 0 0 311.788 3.840 50 0 DHAARN CC(C)c1cnc(CSc2n[nH]c(-c3cccs3)n2)o1 ZINC000071904402 563331712 /nfs/dbraw/zinc/33/17/12/563331712.db2.gz JIAWUTMLDUQKPO-UHFFFAOYSA-N 0 0 306.416 3.937 50 0 DHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc2ccccc2s1 ZINC000246871700 563332792 /nfs/dbraw/zinc/33/27/92/563332792.db2.gz UXAOLRAOEJTDIM-BNOWGMLFSA-N 0 0 316.426 3.514 50 0 DHAARN C[C@H]1C[C@H](C)N(C(=O)c2cc3cc(F)ccc3o2)c2ccnn21 ZINC000071910371 563332988 /nfs/dbraw/zinc/33/29/88/563332988.db2.gz AJLZHYJPVVEBBB-QWRGUYRKSA-N 0 0 313.332 3.768 50 0 DHAARN Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3C)n2)cc1 ZINC000006728391 563333615 /nfs/dbraw/zinc/33/36/15/563333615.db2.gz QIWLGOFNVLSZAL-AWEZNQCLSA-N 0 0 321.380 3.844 50 0 DHAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3C)n2)cc1 ZINC000006728341 563334043 /nfs/dbraw/zinc/33/40/43/563334043.db2.gz QIWLGOFNVLSZAL-CQSZACIVSA-N 0 0 321.380 3.844 50 0 DHAARN COc1ccccc1CNC(=O)C1(c2ccccc2)CCCC1 ZINC000002512693 563334091 /nfs/dbraw/zinc/33/40/91/563334091.db2.gz WYVIOYFWINLANX-UHFFFAOYSA-N 0 0 309.409 3.823 50 0 DHAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)NC1CCCCC1 ZINC000006745066 563334099 /nfs/dbraw/zinc/33/40/99/563334099.db2.gz BUBYTDSMOZRBFS-KRWDZBQOSA-N 0 0 318.417 3.699 50 0 DHAARN Fc1ccc(CSc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000002618003 563336761 /nfs/dbraw/zinc/33/67/61/563336761.db2.gz UUOHDGPFCVLKOY-UHFFFAOYSA-N 0 0 320.780 3.747 50 0 DHAARN Cc1nnsc1C(=O)N[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000225558231 563338123 /nfs/dbraw/zinc/33/81/23/563338123.db2.gz DEPYVBHARYDBBJ-SSDOTTSWSA-N 0 0 321.789 3.737 50 0 DHAARN CCCc1nc2ccccc2n1C[C@@H](O)COCc1ccccc1 ZINC000002690298 563338812 /nfs/dbraw/zinc/33/88/12/563338812.db2.gz MUINDDGMPRTNRA-QGZVFWFLSA-N 0 0 324.424 3.567 50 0 DHAARN CCSc1nnc(NC(=O)c2ccc(Cl)s2)s1 ZINC000002771546 563341989 /nfs/dbraw/zinc/34/19/89/563341989.db2.gz ZQEUUCGMZMIDHH-UHFFFAOYSA-N 0 0 305.837 3.617 50 0 DHAARN CN(C(=O)c1csc(-c2ccoc2)n1)c1ccc(Cl)cn1 ZINC000071914740 563342829 /nfs/dbraw/zinc/34/28/29/563342829.db2.gz KMSJQCBCABOHKO-UHFFFAOYSA-N 0 0 319.773 3.728 50 0 DHAARN Cc1cc(O)ccc1NC(=O)Cc1ccccc1Br ZINC000071916750 563343761 /nfs/dbraw/zinc/34/37/61/563343761.db2.gz MTCWXMKHHVWRIZ-UHFFFAOYSA-N 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CCCCc1c(O)cc(-c2ccncc2)n(-c2ccccc2)c1=O ZINC000013143690 563379548 /nfs/dbraw/zinc/37/95/48/563379548.db2.gz BTLLOXOXIKZPMZ-UHFFFAOYSA-N 0 0 320.392 3.948 50 0 DHAARN CSc1ccccc1NC(=O)COc1ccc(F)cc1F ZINC000013326619 563380644 /nfs/dbraw/zinc/38/06/44/563380644.db2.gz IKYDWHWKNNUOJR-UHFFFAOYSA-N 0 0 309.337 3.704 50 0 DHAARN CCc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000013328868 563381329 /nfs/dbraw/zinc/38/13/29/563381329.db2.gz FIDOKGRFFPBQDC-SNVBAGLBSA-N 0 0 303.383 3.530 50 0 DHAARN CCc1c(C)scc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000013331603 563381504 /nfs/dbraw/zinc/38/15/04/563381504.db2.gz NGGVKLGUKVAJJY-UHFFFAOYSA-N 0 0 314.454 3.581 50 0 DHAARN CC(=O)Nc1cccc(NC(=S)Nc2ccc(F)cc2F)c1 ZINC000013497308 563382646 /nfs/dbraw/zinc/38/26/46/563382646.db2.gz VINUZXKUBJHUJA-UHFFFAOYSA-N 0 0 321.352 3.732 50 0 DHAARN Cc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)[nH]1 ZINC000013571536 563383259 /nfs/dbraw/zinc/38/32/59/563383259.db2.gz UWMJPIRPHSUNGN-ZHACJKMWSA-N 0 0 301.349 3.883 50 0 DHAARN CC(C)(C)NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000013593233 563383909 /nfs/dbraw/zinc/38/39/09/563383909.db2.gz JHSJZWLIXAUUCE-CYBMUJFWSA-N 0 0 322.836 3.743 50 0 DHAARN CC(C)(C)c1nnc2sc(-c3ccc4ccccc4n3)nn21 ZINC000013681884 563385402 /nfs/dbraw/zinc/38/54/02/563385402.db2.gz RESQOLBQUYEKDQ-UHFFFAOYSA-N 0 0 309.398 3.699 50 0 DHAARN CC(C)c1nnc2sc(-c3ccc(Cl)nc3Cl)nn21 ZINC000013692889 563386044 /nfs/dbraw/zinc/38/60/44/563386044.db2.gz SJIKNKQOWISJOO-UHFFFAOYSA-N 0 0 314.201 3.678 50 0 DHAARN CCc1nn2c(nc(C)cc2N(C)C)c1-c1ccc(Cl)cc1 ZINC000013691658 563386125 /nfs/dbraw/zinc/38/61/25/563386125.db2.gz LYAOKRNCIPTFBY-UHFFFAOYSA-N 0 0 314.820 3.987 50 0 DHAARN Cc1cccc(NC(=O)c2cnc3c(Cl)cccc3c2O)n1 ZINC000013691633 563386176 /nfs/dbraw/zinc/38/61/76/563386176.db2.gz ZYQCHSDCSIFVRK-UHFFFAOYSA-N 0 0 313.744 3.550 50 0 DHAARN COc1ccccc1CCC(=O)Nc1ccc2ccccc2n1 ZINC000032731978 563388690 /nfs/dbraw/zinc/38/86/90/563388690.db2.gz JRJUHYSZAJKDNQ-UHFFFAOYSA-N 0 0 306.365 3.815 50 0 DHAARN 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CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000014094671 563395681 /nfs/dbraw/zinc/39/56/81/563395681.db2.gz JCFAOBINLTZLLV-LJQANCHMSA-N 0 0 322.408 3.665 50 0 DHAARN Cc1nc2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc2o1 ZINC000014095194 563395708 /nfs/dbraw/zinc/39/57/08/563395708.db2.gz XQOIDPXKFLKUQU-UHFFFAOYSA-N 0 0 324.336 3.550 50 0 DHAARN COc1ccc(COc2ccc(-c3noc(C)n3)cc2)cc1F ZINC000014160053 563396824 /nfs/dbraw/zinc/39/68/24/563396824.db2.gz NGJDVVZRNUFRHE-UHFFFAOYSA-N 0 0 314.316 3.772 50 0 DHAARN CC[C@@H](CNC(=O)c1cccnc1SC)c1ccccc1 ZINC000014165796 563396914 /nfs/dbraw/zinc/39/69/14/563396914.db2.gz BTXZYHUSVYYNEZ-ZDUSSCGKSA-N 0 0 300.427 3.727 50 0 DHAARN CCONC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000014186779 563397582 /nfs/dbraw/zinc/39/75/82/563397582.db2.gz UESIHHNYIWYYBK-UHFFFAOYSA-N 0 0 322.364 3.592 50 0 DHAARN Cc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1C ZINC000014181555 563397604 /nfs/dbraw/zinc/39/76/04/563397604.db2.gz QRDZBSYXBCMXEH-UHFFFAOYSA-N 0 0 311.381 3.646 50 0 DHAARN Cc1ccc(Oc2ccccc2NC(=O)c2cnn(C)c2)cc1 ZINC000014182712 563397634 /nfs/dbraw/zinc/39/76/34/563397634.db2.gz ZXXVJUJTKNXGHS-UHFFFAOYSA-N 0 0 307.353 3.773 50 0 DHAARN FC(F)(F)c1cnc(Sc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000014241446 563398921 /nfs/dbraw/zinc/39/89/21/563398921.db2.gz KVSFDTSKHKDKQG-UHFFFAOYSA-N 0 0 320.727 3.901 50 0 DHAARN COCc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000014247113 563399900 /nfs/dbraw/zinc/39/99/00/563399900.db2.gz NXZKCZDQZLAQEB-LLVKDONJSA-N 0 0 305.324 3.602 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000014399497 563400343 /nfs/dbraw/zinc/40/03/43/563400343.db2.gz AEUCLXGOVOZGOH-UHFFFAOYSA-N 0 0 324.424 3.646 50 0 DHAARN C[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1ccccc1 ZINC000032830217 563401231 /nfs/dbraw/zinc/40/12/31/563401231.db2.gz BOFXGDUUIRXZCH-GFCCVEGCSA-N 0 0 310.328 3.972 50 0 DHAARN Cc1nc2ccc(C(=O)N(C)C3CCC(C)CC3)cc2nc1C ZINC000032841643 563401610 /nfs/dbraw/zinc/40/16/10/563401610.db2.gz VQWBHNSPEFUUJT-UHFFFAOYSA-N 0 0 311.429 3.897 50 0 DHAARN COc1cc(C)c(Nc2ncnc3ccsc32)cc1OC ZINC000032853423 563402075 /nfs/dbraw/zinc/40/20/75/563402075.db2.gz ZKIBXROCIXZTIC-UHFFFAOYSA-N 0 0 301.371 3.761 50 0 DHAARN COCCOc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000014646211 563402147 /nfs/dbraw/zinc/40/21/47/563402147.db2.gz RDTZMMDWCHNDLN-UHFFFAOYSA-N 0 0 305.761 3.618 50 0 DHAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000032855968 563403061 /nfs/dbraw/zinc/40/30/61/563403061.db2.gz WFUORIMTMBPUBB-UHFFFAOYSA-N 0 0 320.327 3.811 50 0 DHAARN CCn1c2ccccc2n(Cc2coc(-c3ccccc3)n2)c1=O ZINC000014713074 563403115 /nfs/dbraw/zinc/40/31/15/563403115.db2.gz DKUZMFSJSPIDBK-UHFFFAOYSA-N 0 0 319.364 3.526 50 0 DHAARN COC(=O)c1ccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000032865751 563403442 /nfs/dbraw/zinc/40/34/42/563403442.db2.gz VRAIOGIRWTUJNK-SFHVURJKSA-N 0 0 323.392 3.663 50 0 DHAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000032863315 563403499 /nfs/dbraw/zinc/40/34/99/563403499.db2.gz JZERMIODQOLRJD-XJKSGUPXSA-N 0 0 322.424 3.945 50 0 DHAARN O=C(OCc1ccccn1)c1cccnc1Oc1ccccc1 ZINC000014897496 563403689 /nfs/dbraw/zinc/40/36/89/563403689.db2.gz XFDOSXGXVZHTJR-UHFFFAOYSA-N 0 0 306.321 3.626 50 0 DHAARN Cc1ccc([C@H](NC(=O)Cc2noc3ccccc23)C2CC2)cc1 ZINC000032865763 563403726 /nfs/dbraw/zinc/40/37/26/563403726.db2.gz SZNHPBJXIFWOJJ-FQEVSTJZSA-N 0 0 320.392 3.946 50 0 DHAARN CC(C)c1cccc(NC(=O)c2cccc(C[S@@](C)=O)c2)c1 ZINC000032865806 563403736 /nfs/dbraw/zinc/40/37/36/563403736.db2.gz NSCIKEISUUSUIY-QFIPXVFZSA-N 0 0 315.438 3.941 50 0 DHAARN CN(C)c1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000014910587 563404116 /nfs/dbraw/zinc/40/41/16/563404116.db2.gz YYSFEYXXGVMKIS-UHFFFAOYSA-N 0 0 309.413 3.605 50 0 DHAARN Brc1cc2[nH]ccc2c(I)c1 ZINC000014983134 563404877 /nfs/dbraw/zinc/40/48/77/563404877.db2.gz FDFVBCXKWVOTHX-UHFFFAOYSA-N 0 0 321.943 3.535 50 0 DHAARN Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)C(C)(C)C)C2 ZINC000014996241 563405218 /nfs/dbraw/zinc/40/52/18/563405218.db2.gz KLCIBZAKJIVELJ-HNNXBMFYSA-N 0 0 324.424 3.523 50 0 DHAARN CC(=O)c1cccc(OCC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000015009759 563405496 /nfs/dbraw/zinc/40/54/96/563405496.db2.gz LKDYFPMIXUBNKO-UHFFFAOYSA-N 0 0 321.735 3.699 50 0 DHAARN COc1cccc(C[C@@H]2c3cc(C)cc(C)c3NC2=O)c1OC ZINC000015018049 563406085 /nfs/dbraw/zinc/40/60/85/563406085.db2.gz LLKNCJIRURRFET-OAHLLOKOSA-N 0 0 311.381 3.599 50 0 DHAARN Cc1nc(SCC(=O)Nc2ccccc2)n(C2CC2)c1C ZINC000032894081 563409017 /nfs/dbraw/zinc/40/90/17/563409017.db2.gz BAMAQFKZVUKEHZ-UHFFFAOYSA-N 0 0 301.415 3.566 50 0 DHAARN O=C(CNc1ccc(Cl)cc1)N1CCSc2ccccc21 ZINC000015289637 563409115 /nfs/dbraw/zinc/40/91/15/563409115.db2.gz PGBZOKMGWYICHS-UHFFFAOYSA-N 0 0 318.829 3.891 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)CCC2 ZINC000015326704 563409154 /nfs/dbraw/zinc/40/91/54/563409154.db2.gz ULHWAPUYPCGBQP-MRXNPFEDSA-N 0 0 323.436 3.692 50 0 DHAARN CCN(CC(=O)N[C@H](C)c1cccs1)Cc1cccc(F)c1 ZINC000015368439 563409747 /nfs/dbraw/zinc/40/97/47/563409747.db2.gz RPGHBNFAIKUANP-CYBMUJFWSA-N 0 0 320.433 3.587 50 0 DHAARN CCc1nc2sc(C(=O)NC(C)(C)CC)c(C)c2c(C)n1 ZINC000032903246 563410074 /nfs/dbraw/zinc/41/00/74/563410074.db2.gz QMEMPCFHNUFSEI-UHFFFAOYSA-N 0 0 305.447 3.789 50 0 DHAARN COc1ccc(NC(=O)N2CCCc3ccccc32)c(OC)c1 ZINC000015934559 563410709 /nfs/dbraw/zinc/41/07/09/563410709.db2.gz VMKCJRPLRPVMTD-UHFFFAOYSA-N 0 0 312.369 3.689 50 0 DHAARN CCC(CC)NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000032909434 563410816 /nfs/dbraw/zinc/41/08/16/563410816.db2.gz USLUIPDPRYTBDW-QGZVFWFLSA-N 0 0 320.433 3.643 50 0 DHAARN COc1ccc(NC(=O)Cc2cccs2)cc1OC(F)F ZINC000032905590 563411031 /nfs/dbraw/zinc/41/10/31/563411031.db2.gz RCKVGEYMBJZXSJ-UHFFFAOYSA-N 0 0 313.325 3.539 50 0 DHAARN CC(C)(C)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000032911866 563411566 /nfs/dbraw/zinc/41/15/66/563411566.db2.gz ZFRJGZNRXDSHRH-KRWDZBQOSA-N 0 0 317.454 3.893 50 0 DHAARN COc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000020538188 563416917 /nfs/dbraw/zinc/41/69/17/563416917.db2.gz KAJOFBBOIPKFNT-NSHDSACASA-N 0 0 318.348 3.726 50 0 DHAARN O=C(Cn1ccnc1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000010809725 563418355 /nfs/dbraw/zinc/41/83/55/563418355.db2.gz IUSYIZRAIAMISW-UHFFFAOYSA-N 0 0 301.349 3.914 50 0 DHAARN COc1ccc2c(c1)CCCN2C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000022192118 563419282 /nfs/dbraw/zinc/41/92/82/563419282.db2.gz NAOQFXRZAFBAQJ-CQSZACIVSA-N 0 0 314.212 3.558 50 0 DHAARN COc1ccc(NC(C)=O)c(NCc2cc(F)ccc2C)c1 ZINC000187267988 563420426 /nfs/dbraw/zinc/42/04/26/563420426.db2.gz XUPXCUCMOXDISF-UHFFFAOYSA-N 0 0 302.349 3.713 50 0 DHAARN CCCNC(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc21 ZINC000010949161 563420548 /nfs/dbraw/zinc/42/05/48/563420548.db2.gz IRAFKDJSXNQNLJ-NSHDSACASA-N 0 0 315.442 3.514 50 0 DHAARN CCc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)o1 ZINC000025211037 563421809 /nfs/dbraw/zinc/42/18/09/563421809.db2.gz WZEXSIWKCDUAOI-UHFFFAOYSA-N 0 0 309.325 3.677 50 0 DHAARN COc1ccccc1C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000025297031 563421926 /nfs/dbraw/zinc/42/19/26/563421926.db2.gz CDUKPGSDYQWJGP-NSHDSACASA-N 0 0 321.323 3.788 50 0 DHAARN CCN(C(=O)c1cc(C)nc2onc(C)c21)C1CCCCC1 ZINC000025251238 563422049 /nfs/dbraw/zinc/42/20/49/563422049.db2.gz PZGUVRNCZYSTTF-UHFFFAOYSA-N 0 0 301.390 3.634 50 0 DHAARN COc1ccc(CN(C(=O)c2cccs2)C2CC2)c(OC)c1 ZINC000025292011 563422186 /nfs/dbraw/zinc/42/21/86/563422186.db2.gz WUGRBFXJPLWXTO-UHFFFAOYSA-N 0 0 317.410 3.570 50 0 DHAARN COc1ccccc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025238383 563422213 /nfs/dbraw/zinc/42/22/13/563422213.db2.gz PQBDELZQYBDSAY-MNOVXSKESA-N 0 0 316.323 3.938 50 0 DHAARN COCc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000025334791 563422690 /nfs/dbraw/zinc/42/26/90/563422690.db2.gz PWGYHDPDUOBSMP-UHFFFAOYSA-N 0 0 320.186 3.848 50 0 DHAARN C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000025597962 563423373 /nfs/dbraw/zinc/42/33/73/563423373.db2.gz UGRKTVCNRDMOHD-JTQLQIEISA-N 0 0 312.291 3.588 50 0 DHAARN COc1ccc(C)cc1CCNC(=O)c1c(F)cccc1Cl ZINC000025828826 563424382 /nfs/dbraw/zinc/42/43/82/563424382.db2.gz XILKBCSLLHHRGW-UHFFFAOYSA-N 0 0 321.779 3.769 50 0 DHAARN CCc1nnc(SCc2coc(-c3cccc(Cl)c3)n2)[nH]1 ZINC000026119174 563425101 /nfs/dbraw/zinc/42/51/01/563425101.db2.gz VAFXDNSBNCQKES-UHFFFAOYSA-N 0 0 320.805 3.968 50 0 DHAARN Cc1nc(C2(NC(=O)c3ccccc3Cl)CCCCC2)no1 ZINC000026124303 563425249 /nfs/dbraw/zinc/42/52/49/563425249.db2.gz JXXZDBQWBZTGPY-UHFFFAOYSA-N 0 0 319.792 3.621 50 0 DHAARN Cc1cc2nc(Sc3nc(C)c(C)o3)c3ccccc3n2n1 ZINC000026700970 563426794 /nfs/dbraw/zinc/42/67/94/563426794.db2.gz OCICTZROIRCIDV-UHFFFAOYSA-N 0 0 310.382 3.947 50 0 DHAARN CCCN(CCC)S(=O)(=O)c1cc(Cl)ccc1OCC ZINC000027588216 563428891 /nfs/dbraw/zinc/42/88/91/563428891.db2.gz HDSLJMREONLNHS-UHFFFAOYSA-N 0 0 319.854 3.549 50 0 DHAARN Cc1cccc(C(=O)N[C@H](C)c2cccc(Br)c2)n1 ZINC000027734647 563429262 /nfs/dbraw/zinc/42/92/62/563429262.db2.gz WBOFMFXJABSGHY-LLVKDONJSA-N 0 0 319.202 3.644 50 0 DHAARN C[C@@H](OC(=O)c1cnn(Cc2ccccc2Cl)c1)C1CC1 ZINC000070018919 563430715 /nfs/dbraw/zinc/43/07/15/563430715.db2.gz WQOLYERZHAEBSI-LLVKDONJSA-N 0 0 304.777 3.540 50 0 DHAARN CCSc1ncc(Cl)c(C(=O)Oc2ccc(C)cc2)n1 ZINC000027995532 563430764 /nfs/dbraw/zinc/43/07/64/563430764.db2.gz KWIOPBBUUFTAID-UHFFFAOYSA-N 0 0 308.790 3.770 50 0 DHAARN CCCCC(=O)NCCc1csc(-c2ccc(OC)cc2)n1 ZINC000027994493 563430805 /nfs/dbraw/zinc/43/08/05/563430805.db2.gz JBJVESACRVKGIG-UHFFFAOYSA-N 0 0 318.442 3.668 50 0 DHAARN C[C@@H](C(=O)Nc1nc2c(ccc3ccccc23)s1)n1cccn1 ZINC000028243991 563430951 /nfs/dbraw/zinc/43/09/51/563430951.db2.gz SAHPPMCSZBBZRU-NSHDSACASA-N 0 0 322.393 3.846 50 0 DHAARN COc1ccc(OC[C@@H](O)CSc2ccc(Cl)cc2)cc1 ZINC000028404729 563431469 /nfs/dbraw/zinc/43/14/69/563431469.db2.gz GAFVNCPVTYOKMV-CYBMUJFWSA-N 0 0 324.829 3.881 50 0 DHAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)C1(C)C ZINC000028857045 563433235 /nfs/dbraw/zinc/43/32/35/563433235.db2.gz ONVRNYJERJEEGE-GJZGRUSLSA-N 0 0 324.428 3.957 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c4c(cccc42)CC3)on1 ZINC000011037730 563433310 /nfs/dbraw/zinc/43/33/10/563433310.db2.gz HWVNWEJJKFGVEV-GFCCVEGCSA-N 0 0 321.380 3.674 50 0 DHAARN Cc1nc(C)c(C(=O)N(C)[C@H]2CCCc3ccccc32)s1 ZINC000029259360 563433705 /nfs/dbraw/zinc/43/37/05/563433705.db2.gz SHRHDMNKGIHOMH-HNNXBMFYSA-N 0 0 300.427 3.910 50 0 DHAARN CCOCc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000029282488 563433867 /nfs/dbraw/zinc/43/38/67/563433867.db2.gz OWLJHWVDPSUJEB-UHFFFAOYSA-N 0 0 321.779 3.946 50 0 DHAARN CC[C@H](NC(=O)Nc1ccc2n[nH]cc2c1)c1nc(C)cs1 ZINC000072285297 563434715 /nfs/dbraw/zinc/43/47/15/563434715.db2.gz XIBZLEPLVDLRJO-LBPRGKRZSA-N 0 0 315.402 3.601 50 0 DHAARN CN(CC(=O)Nc1c(F)cccc1F)[C@@H]1CCc2ccccc21 ZINC000029482681 563434808 /nfs/dbraw/zinc/43/48/08/563434808.db2.gz OHUXKEXGIWPBNG-MRXNPFEDSA-N 0 0 316.351 3.523 50 0 DHAARN CSCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000072284852 563434856 /nfs/dbraw/zinc/43/48/56/563434856.db2.gz JGXVFDYYWUIVOX-VIFPVBQESA-N 0 0 324.446 3.798 50 0 DHAARN COCc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)c(C)o1 ZINC000072285891 563435230 /nfs/dbraw/zinc/43/52/30/563435230.db2.gz ZJFDBLYLYPXKBU-CQSZACIVSA-N 0 0 320.414 3.558 50 0 DHAARN COC[C@H](C)NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000072289584 563435983 /nfs/dbraw/zinc/43/59/83/563435983.db2.gz UJTMCCRCIJQHDJ-HNNXBMFYSA-N 0 0 304.434 3.566 50 0 DHAARN CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)C1CCCCC1 ZINC000030475904 563437129 /nfs/dbraw/zinc/43/71/29/563437129.db2.gz HTTPZAPMUSSQKL-UHFFFAOYSA-N 0 0 300.402 3.971 50 0 DHAARN Cn1ccnc1[C@@H](NCc1ccc(Cl)cc1)c1ccccc1 ZINC000030643014 563437698 /nfs/dbraw/zinc/43/76/98/563437698.db2.gz KDAHJPBBYZCYMH-KRWDZBQOSA-N 0 0 311.816 3.953 50 0 DHAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(Cl)s1 ZINC000030658007 563437706 /nfs/dbraw/zinc/43/77/06/563437706.db2.gz KJPNCOQYOHFNQD-UHFFFAOYSA-N 0 0 305.790 3.550 50 0 DHAARN CC(=O)N1CCC(Nc2cccc3c4c(oc32)CCCC4)CC1 ZINC000032578185 563442694 /nfs/dbraw/zinc/44/26/94/563442694.db2.gz MOJWZNIWMJMTGT-UHFFFAOYSA-N 0 0 312.413 3.734 50 0 DHAARN Cc1cccc(C[C@H](C)n2cnc3cccc(Cl)c3c2=O)n1 ZINC000032520265 563442726 /nfs/dbraw/zinc/44/27/26/563442726.db2.gz RKDBNZJGYYWIDY-LBPRGKRZSA-N 0 0 313.788 3.557 50 0 DHAARN CCn1ccnc1SCc1ncc(-c2ccccc2OC)o1 ZINC000072302556 563443489 /nfs/dbraw/zinc/44/34/89/563443489.db2.gz GZYRYQXXNMYNPK-UHFFFAOYSA-N 0 0 315.398 3.859 50 0 DHAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cc(C(C)C)on1 ZINC000033270105 563445071 /nfs/dbraw/zinc/44/50/71/563445071.db2.gz ZYXUVPNTLKLULZ-ZDUSSCGKSA-N 0 0 317.389 3.634 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)on1 ZINC000033269764 563445089 /nfs/dbraw/zinc/44/50/89/563445089.db2.gz HNYYJCZKLDSDTD-CQSZACIVSA-N 0 0 322.767 3.682 50 0 DHAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)c(F)c1 ZINC000071283309 563445317 /nfs/dbraw/zinc/44/53/17/563445317.db2.gz ABRVKPCBTZNCPP-LBPRGKRZSA-N 0 0 303.337 3.735 50 0 DHAARN O=C1CS[C@H](c2ccc3c(c2)OCCO3)c2sccc2N1 ZINC000071282881 563445321 /nfs/dbraw/zinc/44/53/21/563445321.db2.gz MJIIGMHNOSUYMF-CQSZACIVSA-N 0 0 319.407 3.944 50 0 DHAARN CCOc1ccc2cc(C(=O)N[C@H](C)c3ccc(C)o3)[nH]c2c1 ZINC000048366853 563445735 /nfs/dbraw/zinc/44/57/35/563445735.db2.gz VXXJXIHYZHSZQA-GFCCVEGCSA-N 0 0 312.369 3.959 50 0 DHAARN Cc1cccc(OCc2nc3cc(Cl)ccc3c(=O)o2)c1 ZINC000000447976 563447379 /nfs/dbraw/zinc/44/73/79/563447379.db2.gz GONFDYPDIPRKIZ-UHFFFAOYSA-N 0 0 301.729 3.729 50 0 DHAARN NC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3 ZINC000000289614 563447418 /nfs/dbraw/zinc/44/74/18/563447418.db2.gz YJJUECNDXYHTHL-UHFFFAOYSA-N 0 0 323.421 3.523 50 0 DHAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1OC ZINC000000293222 563447631 /nfs/dbraw/zinc/44/76/31/563447631.db2.gz MVAKJPBBDFAECM-UHFFFAOYSA-N 0 0 322.408 3.743 50 0 DHAARN COc1ccc(CN2CCN(c3ccccc3)CC2)cc1Cl ZINC000001300515 563448247 /nfs/dbraw/zinc/44/82/47/563448247.db2.gz KDIJAAMLAUJIII-UHFFFAOYSA-N 0 0 316.832 3.671 50 0 DHAARN CC(C)n1nnc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000002871150 563448297 /nfs/dbraw/zinc/44/82/97/563448297.db2.gz VCZBQDGLRZUMHS-UHFFFAOYSA-N 0 0 312.348 3.639 50 0 DHAARN COc1cc2c(cc1OC)CN(Cc1cc(F)ccc1F)CC2 ZINC000023280793 563448650 /nfs/dbraw/zinc/44/86/50/563448650.db2.gz GBQCFYQGSHVVSY-UHFFFAOYSA-N 0 0 319.351 3.540 50 0 DHAARN Cc1ccc(N2C(=O)[C@@H]3CC=C(c4ccccc4)C[C@H]3C2=O)cc1 ZINC000002976430 563449797 /nfs/dbraw/zinc/44/97/97/563449797.db2.gz NNCYCDZDGMSCJR-RTBURBONSA-N 0 0 317.388 3.978 50 0 DHAARN CCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O ZINC000004918836 563450646 /nfs/dbraw/zinc/45/06/46/563450646.db2.gz HQMQFHFVFAVFDV-UHFFFAOYSA-N 0 0 322.408 3.836 50 0 DHAARN CC(=O)OC[C@@]12CO[C@H](c3cccnc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000135823810 563451348 /nfs/dbraw/zinc/45/13/48/563451348.db2.gz LANFJOBBEPUSIU-GFPCFBFFSA-N 0 0 315.413 3.551 50 0 DHAARN Cc1ccc(N2C(=O)[C@@H]3CC=C(c4ccccc4)C[C@@H]3C2=O)cc1 ZINC000101196992 563451431 /nfs/dbraw/zinc/45/14/31/563451431.db2.gz NNCYCDZDGMSCJR-MOPGFXCFSA-N 0 0 317.388 3.978 50 0 DHAARN Cc1cc(Cl)cc2sc(NCCCn3ccnc3)nc21 ZINC000034936055 563452107 /nfs/dbraw/zinc/45/21/07/563452107.db2.gz GHYGKJLLBASXLZ-UHFFFAOYSA-N 0 0 306.822 3.957 50 0 DHAARN Cc1nc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)no1 ZINC000032971408 563453981 /nfs/dbraw/zinc/45/39/81/563453981.db2.gz HMUFQHSUCSWUOH-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)no1 ZINC000032971439 563453985 /nfs/dbraw/zinc/45/39/85/563453985.db2.gz DDMOYGMZUSBEEI-UHFFFAOYSA-N 0 0 311.316 3.690 50 0 DHAARN CCc1ccc(NC(=O)c2ccc(-c3noc(C)n3)cc2)cc1 ZINC000032971399 563454167 /nfs/dbraw/zinc/45/41/67/563454167.db2.gz COLLIIIOZBMGOD-UHFFFAOYSA-N 0 0 307.353 3.860 50 0 DHAARN CCOc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000032985322 563458578 /nfs/dbraw/zinc/45/85/78/563458578.db2.gz VMANMQHSEHQIRG-UHFFFAOYSA-N 0 0 309.365 3.523 50 0 DHAARN CCc1ccc(N2C(=O)CC(c3ccc(OC)cc3)CC2=O)cc1 ZINC000032985334 563458791 /nfs/dbraw/zinc/45/87/91/563458791.db2.gz QECIPLUMWBFATC-UHFFFAOYSA-N 0 0 323.392 3.695 50 0 DHAARN O=C(c1nc2ccccn2c1-c1ccc(F)cc1)N1CCCCC1 ZINC000097939357 563461656 /nfs/dbraw/zinc/46/16/56/563461656.db2.gz SZDPJNJCVLXKDZ-UHFFFAOYSA-N 0 0 323.371 3.767 50 0 DHAARN Cc1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cs1 ZINC000071884563 563465971 /nfs/dbraw/zinc/46/59/71/563465971.db2.gz PCCJGIDLUWOGGR-UONOGXRCSA-N 0 0 306.818 3.525 50 0 DHAARN Cc1cc(C)c(-n2cccn2)c(-c2nc3c[nH]n(C(C)C)c-3n2)c1 ZINC000048422309 563466544 /nfs/dbraw/zinc/46/65/44/563466544.db2.gz FFOQHTDROHTRMV-UHFFFAOYSA-N 0 0 320.400 3.810 50 0 DHAARN CC(C)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000049535399 563467254 /nfs/dbraw/zinc/46/72/54/563467254.db2.gz FCFSQMMWCVYBGS-UHFFFAOYSA-N 0 0 301.361 3.642 50 0 DHAARN C[C@@H](c1ccncc1)N(C)C(=O)CCCOCc1ccccc1 ZINC000050355357 563468016 /nfs/dbraw/zinc/46/80/16/563468016.db2.gz DBTSPIVMAQMULN-INIZCTEOSA-N 0 0 312.413 3.598 50 0 DHAARN C[S@@](=O)Cc1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000071908767 563469056 /nfs/dbraw/zinc/46/90/56/563469056.db2.gz KGDXDIUBEYPDFE-IBGZPJMESA-N 0 0 301.839 3.593 50 0 DHAARN COc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])cc1Cl ZINC000086755537 563469063 /nfs/dbraw/zinc/46/90/63/563469063.db2.gz KSIBCNRAEWXHEJ-ZDUSSCGKSA-N 0 0 311.809 3.568 50 0 DHAARN Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 ZINC000051529128 563469167 /nfs/dbraw/zinc/46/91/67/563469167.db2.gz RHMBHFDSDZPYPA-UHFFFAOYSA-N 0 0 322.408 3.792 50 0 DHAARN O=C1CN[C@@H](c2ccccc2)c2cc(Br)ccc2N1 ZINC000053995167 563469758 /nfs/dbraw/zinc/46/97/58/563469758.db2.gz OHKBVRBTRGJEMT-HNNXBMFYSA-N 0 0 317.186 3.730 50 0 DHAARN Cc1ccnc(C[C@H](C)N(C)C(=O)c2cccc3cccnc32)c1 ZINC000055099281 563470838 /nfs/dbraw/zinc/47/08/38/563470838.db2.gz VEJYADAZWYHQDP-HNNXBMFYSA-N 0 0 319.408 3.641 50 0 DHAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)c2nccc3ccccc32)c1 ZINC000055060904 563471171 /nfs/dbraw/zinc/47/11/71/563471171.db2.gz MZLVWENVAAOWMC-OAHLLOKOSA-N 0 0 319.408 3.641 50 0 DHAARN CCCCN(Cc1ccco1)C(=O)c1cc(F)ccc1OC ZINC000055199861 563472570 /nfs/dbraw/zinc/47/25/70/563472570.db2.gz PNRRJTSJZGRJFZ-UHFFFAOYSA-N 0 0 305.349 3.870 50 0 DHAARN C[NH+](C)[C@H](C(=O)[O-])c1cccc2c1Sc1ccccc1S2 ZINC000055225964 563472575 /nfs/dbraw/zinc/47/25/75/563472575.db2.gz DTEOQYRVEJZXAY-AWEZNQCLSA-N 0 0 317.435 3.990 50 0 DHAARN Cc1cncc(C(=O)N(C)CCCOc2c(C)cccc2C)c1 ZINC000055242978 563472644 /nfs/dbraw/zinc/47/26/44/563472644.db2.gz ZIRKWSMHPDFNHO-UHFFFAOYSA-N 0 0 312.413 3.548 50 0 DHAARN Cc1nc2sccc2c(N(C)CC[C@@H](O)c2ccccc2)n1 ZINC000055227806 563473042 /nfs/dbraw/zinc/47/30/42/563473042.db2.gz BKNKPXHYJSYELX-OAHLLOKOSA-N 0 0 313.426 3.560 50 0 DHAARN Cc1ccc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000055291987 563473499 /nfs/dbraw/zinc/47/34/99/563473499.db2.gz KBZDDDDRLGVZHU-UHFFFAOYSA-N 0 0 302.368 3.595 50 0 DHAARN CCCc1cc(CNC(=O)c2cc3cc(C)ccc3nc2C)on1 ZINC000055393309 563475213 /nfs/dbraw/zinc/47/52/13/563475213.db2.gz WICJCAUHKCNARH-UHFFFAOYSA-N 0 0 323.396 3.722 50 0 DHAARN Cc1nc2ncccc2cc1C(=O)Nc1ccnn1[C@@H](C)C(C)C ZINC000055414601 563475392 /nfs/dbraw/zinc/47/53/92/563475392.db2.gz NEUCPFXYVGPTMI-ZDUSSCGKSA-N 0 0 323.400 3.604 50 0 DHAARN C[C@H](c1ccon1)N(C)C(=O)CSCc1ccccc1Cl ZINC000055404992 563475584 /nfs/dbraw/zinc/47/55/84/563475584.db2.gz ASJJMEHVQNCINV-LLVKDONJSA-N 0 0 324.833 3.781 50 0 DHAARN CCCN(Cc1cccnc1)C(=O)CCc1ccc(F)cc1F ZINC000055569029 563476199 /nfs/dbraw/zinc/47/61/99/563476199.db2.gz QOIMFINZYZYQHW-UHFFFAOYSA-N 0 0 318.367 3.731 50 0 DHAARN Cc1cc2cc(NC(=O)c3cnc4onc(C)c4c3)ccc2[nH]1 ZINC000046374262 563477027 /nfs/dbraw/zinc/47/70/27/563477027.db2.gz VKGKNHJULPBWLT-UHFFFAOYSA-N 0 0 306.325 3.573 50 0 DHAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(F)cc2C)o1 ZINC000033049073 563477318 /nfs/dbraw/zinc/47/73/18/563477318.db2.gz YPRRYMNQEGTTBY-UHFFFAOYSA-N 0 0 300.289 3.943 50 0 DHAARN Cc1cccc(C[S@](=O)CCCOc2ccc(F)cc2)c1 ZINC000058158362 563478480 /nfs/dbraw/zinc/47/84/80/563478480.db2.gz WKRHDTBDRIEQCU-NRFANRHFSA-N 0 0 306.402 3.852 50 0 DHAARN CCN(C)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 ZINC000058426927 563478818 /nfs/dbraw/zinc/47/88/18/563478818.db2.gz BMRNBHKKIUADSU-UHFFFAOYSA-N 0 0 305.381 3.943 50 0 DHAARN O=C(c1ccsc1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000097941217 563480744 /nfs/dbraw/zinc/48/07/44/563480744.db2.gz WUSVDTWORAPHQB-AWEZNQCLSA-N 0 0 324.409 3.511 50 0 DHAARN CCCCc1ccc(-c2csc(CS(C)(=O)=O)n2)cc1 ZINC000096417545 563480935 /nfs/dbraw/zinc/48/09/35/563480935.db2.gz JMNHYIHSNYFKEE-UHFFFAOYSA-N 0 0 309.456 3.697 50 0 DHAARN CCCc1ncc(C(=O)Nc2ccnn2[C@H](C)C2CC2)s1 ZINC000096424988 563481494 /nfs/dbraw/zinc/48/14/94/563481494.db2.gz VJIVJPZRKRFXPQ-SNVBAGLBSA-N 0 0 304.419 3.515 50 0 DHAARN Cc1cc(COc2ccc(N(C)C(=O)OC(C)(C)C)cc2)on1 ZINC000096429046 563481680 /nfs/dbraw/zinc/48/16/80/563481680.db2.gz KDDZUHSNUDCVQM-UHFFFAOYSA-N 0 0 318.373 3.933 50 0 DHAARN CCc1nc(C)c([C@H](C)N(C)Cc2nnc(C(C)C)o2)s1 ZINC000096424509 563481848 /nfs/dbraw/zinc/48/18/48/563481848.db2.gz YVYQHIXWBOFHSG-NSHDSACASA-N 0 0 308.451 3.713 50 0 DHAARN Cc1ccc(-c2ocnc2C(=O)N[C@H](C)c2cccnc2)cc1 ZINC000096426153 563481860 /nfs/dbraw/zinc/48/18/60/563481860.db2.gz NFBOBQFLDSWERF-CYBMUJFWSA-N 0 0 307.353 3.536 50 0 DHAARN CC(=O)Nc1ccc(F)c(NC(=O)N2CCCC(C)(C)CC2)c1 ZINC000096433938 563482086 /nfs/dbraw/zinc/48/20/86/563482086.db2.gz WIQMSKZGJXDIGE-UHFFFAOYSA-N 0 0 321.396 3.828 50 0 DHAARN C/C=C\C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000096451570 563482760 /nfs/dbraw/zinc/48/27/60/563482760.db2.gz WWZFWUFJQZTZIV-VEJWIWHQSA-N 0 0 313.328 3.625 50 0 DHAARN Cc1cc(C)cc(C(=O)Nc2cccn3nc(C4CCC4)nc23)c1 ZINC000097944626 563482982 /nfs/dbraw/zinc/48/29/82/563482982.db2.gz HBLHFWCZCPOQLL-UHFFFAOYSA-N 0 0 320.396 3.866 50 0 DHAARN Cc1nc(CCCC(=O)N2CCC[C@H]2C2CCCC2)cs1 ZINC000096455588 563483055 /nfs/dbraw/zinc/48/30/55/563483055.db2.gz DRGKOYLACHXTHE-INIZCTEOSA-N 0 0 306.475 3.955 50 0 DHAARN Clc1ccc(CNc2ccc(-n3cncn3)c(Cl)c2)cn1 ZINC000096453489 563483107 /nfs/dbraw/zinc/48/31/07/563483107.db2.gz SBHXXYNHFPQRTE-UHFFFAOYSA-N 0 0 320.183 3.581 50 0 DHAARN C[C@H](C(=O)N(Cc1cccs1)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000096467581 563483943 /nfs/dbraw/zinc/48/39/43/563483943.db2.gz AWRBBEVNXAUPRZ-SUMWQHHRSA-N 0 0 314.454 3.575 50 0 DHAARN Cc1nccn1-c1cncc(N2CC[C@@H](C)C[C@@H]2c2ccco2)n1 ZINC000096494545 563485618 /nfs/dbraw/zinc/48/56/18/563485618.db2.gz OKPOGFFMQALOOF-UKRRQHHQSA-N 0 0 323.400 3.541 50 0 DHAARN O=C1Nc2ccccc2[C@H]1Cc1ccc(OC(F)(F)F)cc1 ZINC000096536888 563486924 /nfs/dbraw/zinc/48/69/24/563486924.db2.gz LPTRWCKPIUHTFU-CYBMUJFWSA-N 0 0 307.271 3.864 50 0 DHAARN CCc1cc(CN(C)C(=O)c2cc3ccccc3s2)on1 ZINC000067654634 563488561 /nfs/dbraw/zinc/48/85/61/563488561.db2.gz JZJWDPFEVGRIHG-UHFFFAOYSA-N 0 0 300.383 3.724 50 0 DHAARN CO[C@@H](C(=O)N(C)Cc1[nH]c2ccccc2c1C)c1ccccc1 ZINC000067676230 563488774 /nfs/dbraw/zinc/48/87/74/563488774.db2.gz FOLFGIKLBGGAMN-LJQANCHMSA-N 0 0 322.408 3.822 50 0 DHAARN CCC(=O)N1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067714407 563489592 /nfs/dbraw/zinc/48/95/92/563489592.db2.gz HOFZILXTKDHRMP-UHFFFAOYSA-N 0 0 317.410 3.560 50 0 DHAARN O=C(CSc1ccncc1)N1CCC[C@H](c2ccccc2)C1 ZINC000067743633 563490219 /nfs/dbraw/zinc/49/02/19/563490219.db2.gz IRJRKRLRZUSJOJ-INIZCTEOSA-N 0 0 312.438 3.580 50 0 DHAARN Nc1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000067805826 563491225 /nfs/dbraw/zinc/49/12/25/563491225.db2.gz QDMBDKHUMCMIAE-UHFFFAOYSA-N 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/nfs/dbraw/zinc/50/12/67/563501267.db2.gz STNMJBRHLHFQIG-UHFFFAOYSA-N 0 0 321.170 3.911 50 0 DHAARN Cc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000046407727 563501546 /nfs/dbraw/zinc/50/15/46/563501546.db2.gz GYTCIWMDOLEQOK-MRXNPFEDSA-N 0 0 309.413 3.643 50 0 DHAARN CCCNC(=O)Nc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000033257135 563502701 /nfs/dbraw/zinc/50/27/01/563502701.db2.gz XOIRUANTKSWURB-UHFFFAOYSA-N 0 0 300.362 3.536 50 0 DHAARN CC[C@H](NCc1nnc2ccccn21)c1cccc(Cl)c1 ZINC000097971391 563507326 /nfs/dbraw/zinc/50/73/26/563507326.db2.gz RMSSYNGLJALLNV-AWEZNQCLSA-N 0 0 300.793 3.624 50 0 DHAARN CC(C)(C)C(=O)N1CCC(Nc2cnc3ccccc3c2)CC1 ZINC000097140130 563507714 /nfs/dbraw/zinc/50/77/14/563507714.db2.gz PDTYFTHUOCIOQD-UHFFFAOYSA-N 0 0 311.429 3.684 50 0 DHAARN Cc1cc(NCn2nnc3ccccc32)ccc1Br ZINC000000041304 563508235 /nfs/dbraw/zinc/50/82/35/563508235.db2.gz ZVCUDKHYTYOHRV-UHFFFAOYSA-N 0 0 317.190 3.572 50 0 DHAARN CC(C)C[C@@H](O)C1CCN(C(=O)c2ccc3occc3c2)CC1 ZINC000077322912 563509064 /nfs/dbraw/zinc/50/90/64/563509064.db2.gz HUVDNDHWVCRUGK-QGZVFWFLSA-N 0 0 315.413 3.692 50 0 DHAARN CC(C)c1nc(CN(C)Cc2nc3ccccc3[nH]2)cs1 ZINC000077424240 563509887 /nfs/dbraw/zinc/50/98/87/563509887.db2.gz TUFDPTZCHLLPRX-UHFFFAOYSA-N 0 0 300.431 3.775 50 0 DHAARN CC(C)n1cc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)cn1 ZINC000077406501 563509950 /nfs/dbraw/zinc/50/99/50/563509950.db2.gz QOCWMOWZLGCFTE-ZDUSSCGKSA-N 0 0 317.820 3.747 50 0 DHAARN CN(Cc1cccc2ncccc12)C(=O)CCc1ccsc1 ZINC000077406570 563509957 /nfs/dbraw/zinc/50/99/57/563509957.db2.gz NNZZNCVJNCEIJN-UHFFFAOYSA-N 0 0 310.422 3.888 50 0 DHAARN Cc1c2cc(C)ccc2oc1C(=O)N(C)C[C@H]1CCCCO1 ZINC000077469875 563510711 /nfs/dbraw/zinc/51/07/11/563510711.db2.gz DYZQTFUYVPSPLG-CQSZACIVSA-N 0 0 301.386 3.691 50 0 DHAARN Cc1csc(N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000077486010 563510903 /nfs/dbraw/zinc/51/09/03/563510903.db2.gz RJANLWWSXRSGMJ-CYBMUJFWSA-N 0 0 312.442 3.787 50 0 DHAARN Oc1cccc(-c2nccn2CCCc2nc3ccccc3[nH]2)c1 ZINC000077504325 563511212 /nfs/dbraw/zinc/51/12/12/563511212.db2.gz BCRJVPOEWSUEPM-UHFFFAOYSA-N 0 0 318.380 3.765 50 0 DHAARN COc1ccc(NC(=O)c2c(C)cc(Cl)nc2Cl)cc1 ZINC000000053023 563514051 /nfs/dbraw/zinc/51/40/51/563514051.db2.gz DKTKUKMHGAPMBZ-UHFFFAOYSA-N 0 0 311.168 3.958 50 0 DHAARN CN(C[C@H](O)C1CC1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000097238771 563514435 /nfs/dbraw/zinc/51/44/35/563514435.db2.gz NLTDJCHZGGSGRF-SFHVURJKSA-N 0 0 310.397 3.647 50 0 DHAARN Cc1cc([C@@H](C)NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)o1 ZINC000097234622 563514517 /nfs/dbraw/zinc/51/45/17/563514517.db2.gz TXRXNWVZIAYZPT-MLGOLLRUSA-N 0 0 316.405 3.617 50 0 DHAARN C[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccsc1 ZINC000097234238 563514603 /nfs/dbraw/zinc/51/46/03/563514603.db2.gz LATNOJOFZRWJLS-SWLSCSKDSA-N 0 0 318.446 3.512 50 0 DHAARN CC[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 ZINC000097234559 563514655 /nfs/dbraw/zinc/51/46/55/563514655.db2.gz DOGQEFKLVUFHED-KBPBESRZSA-N 0 0 318.446 3.859 50 0 DHAARN COc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000008132412 563515079 /nfs/dbraw/zinc/51/50/79/563515079.db2.gz RRBUEYDZHQWBHX-UHFFFAOYSA-N 0 0 323.314 3.573 50 0 DHAARN C[C@H](CC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)[S@](C)=O ZINC000097034753 563516014 /nfs/dbraw/zinc/51/60/14/563516014.db2.gz RZYBPQYEYUABPM-QZXWKGOOSA-N 0 0 313.850 3.894 50 0 DHAARN Cc1ccc2c(c1)C(=O)C[C@H](c1ccc3c(c1)OCCCO3)O2 ZINC000000064423 563517447 /nfs/dbraw/zinc/51/74/47/563517447.db2.gz JUDIGUQMCYJMTH-GOSISDBHSA-N 0 0 310.349 3.863 50 0 biogenic DHAARN FC(F)(F)c1cnc(N2CC(c3ccccn3)C2)c(Cl)c1 ZINC000585132768 563517941 /nfs/dbraw/zinc/51/79/41/563517941.db2.gz UGEJEJCEMOBMRN-UHFFFAOYSA-N 0 0 313.710 3.753 50 0 DHAARN Cc1ccc(-c2ccc(C(=O)N3CCC[C@@](C)(CO)C3)s2)o1 ZINC000097081744 563518470 /nfs/dbraw/zinc/51/84/70/563518470.db2.gz WHYTVOQNQITLSD-QGZVFWFLSA-N 0 0 319.426 3.551 50 0 DHAARN CCCc1cc(C(=O)N(C)[C@H](C)c2nc(C)sc2C)no1 ZINC000082096157 563518552 /nfs/dbraw/zinc/51/85/52/563518552.db2.gz OOTQACNSKQNANU-SECBINFHSA-N 0 0 307.419 3.534 50 0 DHAARN O=C([C@H](c1cccnc1)C1CCCCC1)N1CCCSCC1 ZINC000585140225 563519092 /nfs/dbraw/zinc/51/90/92/563519092.db2.gz AJNGESJMWGHLHE-KRWDZBQOSA-N 0 0 318.486 3.711 50 0 DHAARN O=C([C@@H](c1cccnc1)C1CCCCC1)N1CCCSCC1 ZINC000585140227 563519261 /nfs/dbraw/zinc/51/92/61/563519261.db2.gz AJNGESJMWGHLHE-QGZVFWFLSA-N 0 0 318.486 3.711 50 0 DHAARN CCOC(=O)Cc1cccc(-c2ccc(C(=O)OCC)cc2)c1 ZINC000085477228 563521160 /nfs/dbraw/zinc/52/11/60/563521160.db2.gz XPURNHDUQKEISG-UHFFFAOYSA-N 0 0 312.365 3.636 50 0 DHAARN O=C(c1ccccc1F)c1ccccc1CN1CCSCC1 ZINC000085651678 563521426 /nfs/dbraw/zinc/52/14/26/563521426.db2.gz HTKGMEKKHMDKIC-UHFFFAOYSA-N 0 0 315.413 3.606 50 0 DHAARN Cc1ccc(C)c(C(=O)NCc2noc(C3CCCCC3)n2)c1 ZINC000033328082 563522356 /nfs/dbraw/zinc/52/23/56/563522356.db2.gz ZQPHNVWDFZOURJ-UHFFFAOYSA-N 0 0 313.401 3.664 50 0 DHAARN COc1ccc([C@H]2CC3(OCCO3)C3(CCCCC3)O2)cc1 ZINC000000077074 563523384 /nfs/dbraw/zinc/52/33/84/563523384.db2.gz LQTPQQCWRGNYFW-MRXNPFEDSA-N 0 0 304.386 3.603 50 0 DHAARN COc1ccc(-c2nnc3ccc4ccccc4n32)c(OC)c1 ZINC000000077477 563523615 /nfs/dbraw/zinc/52/36/15/563523615.db2.gz LZRQWYDAVRYGJU-UHFFFAOYSA-N 0 0 305.337 3.567 50 0 DHAARN CCOC(=O)c1c(C)oc2c1cc(OC(C)=O)c1ccccc21 ZINC000000075275 563523618 /nfs/dbraw/zinc/52/36/18/563523618.db2.gz SRFLNLJQERMOGL-UHFFFAOYSA-N 0 0 312.321 3.996 50 0 DHAARN COc1cccc(-c2nnc3ccc4ccccc4n32)c1OC ZINC000000078382 563523656 /nfs/dbraw/zinc/52/36/56/563523656.db2.gz ROZXTCBFTJJRFM-UHFFFAOYSA-N 0 0 305.337 3.567 50 0 DHAARN O=C(Nc1cccc(F)c1)c1cnn(-c2ccccc2)c1Cl ZINC000098086728 563523921 /nfs/dbraw/zinc/52/39/21/563523921.db2.gz OARQICQFVZRYIV-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1cccs1 ZINC000072288995 563527033 /nfs/dbraw/zinc/52/70/33/563527033.db2.gz LHJYJVREARPJFD-OAHLLOKOSA-N 0 0 318.442 3.799 50 0 DHAARN Cc1ccc(SCCN(C)c2nc(C)nc3ncccc32)cc1 ZINC000095354430 563529011 /nfs/dbraw/zinc/52/90/11/563529011.db2.gz VWPFRQDCUQPBMD-UHFFFAOYSA-N 0 0 324.453 3.870 50 0 DHAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000095356256 563529640 /nfs/dbraw/zinc/52/96/40/563529640.db2.gz MFWOUWLLGVSTOL-INIZCTEOSA-N 0 0 303.450 3.579 50 0 DHAARN CCCc1cnc(C)nc1C[C@H]1COc2c(cccc2OC)C1 ZINC000095376885 563529950 /nfs/dbraw/zinc/52/99/50/563529950.db2.gz VDCMJAIRQQSZRY-AWEZNQCLSA-N 0 0 312.413 3.540 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2snnc2c1 ZINC000000095031 563531632 /nfs/dbraw/zinc/53/16/32/563531632.db2.gz FKOFHHLXCGZPHG-UHFFFAOYSA-N 0 0 323.299 3.962 50 0 DHAARN c1csc(-c2ccc(CCc3nc([C@H]4CCOC4)no3)o2)c1 ZINC000096133509 563533125 /nfs/dbraw/zinc/53/31/25/563533125.db2.gz GDDVJOGBKLKWDS-NSHDSACASA-N 0 0 316.382 3.680 50 0 DHAARN Fc1ccc(C2(c3nc(-c4cn5ccccc5n4)no3)CC2)cc1 ZINC000096136111 563533298 /nfs/dbraw/zinc/53/32/98/563533298.db2.gz FADBFGAXMISCQC-UHFFFAOYSA-N 0 0 320.327 3.603 50 0 DHAARN CCC(=O)NCc1cccc(-c2ccc(NC(=O)OC)cc2)c1 ZINC000096166819 563534659 /nfs/dbraw/zinc/53/46/59/563534659.db2.gz KROLMAIVAYYQMK-UHFFFAOYSA-N 0 0 312.369 3.558 50 0 DHAARN O=C(Nc1ccccc1C1CC1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000096153254 563534957 /nfs/dbraw/zinc/53/49/57/563534957.db2.gz VCIPFFRVYFDBKH-FQEVSTJZSA-N 0 0 322.408 3.689 50 0 DHAARN CCc1c(C(=O)Nc2cccc(CC)c2)nnn1-c1ccccc1 ZINC000096318788 563536149 /nfs/dbraw/zinc/53/61/49/563536149.db2.gz FCZPDKFMYLWLOL-UHFFFAOYSA-N 0 0 320.396 3.644 50 0 DHAARN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC000097213184 563537618 /nfs/dbraw/zinc/53/76/18/563537618.db2.gz UQTHHFMVXQLYNU-CQSZACIVSA-N 0 0 313.397 3.622 50 0 DHAARN COP(=O)(OC)[C@@H](/C=C(/Cl)c1ccccc1)N(C)C ZINC000033376625 563538343 /nfs/dbraw/zinc/53/83/43/563538343.db2.gz BYTZWWDLTWSOGT-XSNHNAGMSA-N 0 0 303.726 3.640 50 0 DHAARN COCc1cccc(C(=O)N2CCC[C@H]2c2ccccc2C)n1 ZINC000097334292 563538859 /nfs/dbraw/zinc/53/88/59/563538859.db2.gz GYXWZRSHZKUDPN-SFHVURJKSA-N 0 0 310.397 3.514 50 0 DHAARN Cc1c(C(=O)N2CCC[C@H]2c2ccco2)[nH]nc1-c1ccccc1 ZINC000097522773 563539956 /nfs/dbraw/zinc/53/99/56/563539956.db2.gz BTJNQJCQLDPMEU-HNNXBMFYSA-N 0 0 321.380 3.955 50 0 DHAARN COc1ccc([C@@]2(C(=O)NCc3ccsc3)CC2(C)C)cc1 ZINC000097601013 563540073 /nfs/dbraw/zinc/54/00/73/563540073.db2.gz XRQCGVAWXNFNFR-GOSISDBHSA-N 0 0 315.438 3.741 50 0 DHAARN CC(C)c1nc(CN(C)C[C@@H]2CCN(c3ccccc3)C2)co1 ZINC000097674037 563541080 /nfs/dbraw/zinc/54/10/80/563541080.db2.gz SBODPSWMGVDDCA-INIZCTEOSA-N 0 0 313.445 3.756 50 0 DHAARN CCn1cc(CN(C(=O)Nc2ccc(F)cc2C)C(C)C)cn1 ZINC000097655477 563541378 /nfs/dbraw/zinc/54/13/78/563541378.db2.gz PCLUHPLOYSHIHO-UHFFFAOYSA-N 0 0 318.396 3.793 50 0 DHAARN CCn1c2ccccc2nc1CN1CCC[C@@H]1c1c(C)noc1C ZINC000097819651 563542714 /nfs/dbraw/zinc/54/27/14/563542714.db2.gz IAMWJCAAVRMYFE-QGZVFWFLSA-N 0 0 324.428 3.998 50 0 DHAARN COc1ccccc1-n1[n-]c(C)c(CCc2ccccc2)c1=O ZINC000100072438 563543102 /nfs/dbraw/zinc/54/31/02/563543102.db2.gz ATEUVUKTHOOTLJ-UHFFFAOYSA-N 0 0 308.381 3.680 50 0 DHAARN Cc1ccccc1N1C(=O)C[C@H](c2cn(C)c3ccccc23)C1=O ZINC000100619466 563552119 /nfs/dbraw/zinc/55/21/19/563552119.db2.gz XVYYNUCXWWTOBI-OAHLLOKOSA-N 0 0 318.376 3.534 50 0 DHAARN Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc(Cl)cc1Cl ZINC000100103538 563559030 /nfs/dbraw/zinc/55/90/30/563559030.db2.gz CTAYGSQENJAENO-LFYBBSHMSA-N 0 0 322.147 3.659 50 0 DHAARN c1coc(CNc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000014140140 563560252 /nfs/dbraw/zinc/56/02/52/563560252.db2.gz HYBDZEVOLFYFBK-UHFFFAOYSA-N 0 0 300.339 3.744 50 0 DHAARN COc1ccc(-c2nnc(COc3ccccc3Cl)o2)cc1 ZINC000014215283 563561626 /nfs/dbraw/zinc/56/16/26/563561626.db2.gz RNTZAIHURLNTCE-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN CCOCc1ccccc1NC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000119744377 563565027 /nfs/dbraw/zinc/56/50/27/563565027.db2.gz QPVJNQRIPRFHQH-UHFFFAOYSA-N 0 0 321.380 3.866 50 0 DHAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1COc2ccccc2O1 ZINC000000101361 563565397 /nfs/dbraw/zinc/56/53/97/563565397.db2.gz SYCPJHWRLWVZNR-AWEZNQCLSA-N 0 0 324.163 3.772 50 0 DHAARN Cc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(C)cc1)=N2 ZINC000100131721 563565596 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DHAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCc3ccccc32)on1 ZINC000045305644 563688628 /nfs/dbraw/zinc/68/86/28/563688628.db2.gz KHEWNLPXPMDSOR-HOTGVXAUSA-N 0 0 311.385 3.517 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)N1CCC[C@@H]1c1ccncc1 ZINC000045376623 563688811 /nfs/dbraw/zinc/68/88/11/563688811.db2.gz JJPFSJQUGYCQAI-GOSISDBHSA-N 0 0 321.424 3.660 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000045957029 563691090 /nfs/dbraw/zinc/69/10/90/563691090.db2.gz RLXIAWGTESLYDP-SUMWQHHRSA-N 0 0 318.417 3.606 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)Nc2ccc(N(C)C)cc2C)o1 ZINC000046030831 563692056 /nfs/dbraw/zinc/69/20/56/563692056.db2.gz YLGYOXZIVPHXFH-ZDUSSCGKSA-N 0 0 301.390 3.845 50 0 DHAARN Cc1nnc([C@@H](C)Sc2nc3ccccc3n2C(F)F)o1 ZINC000048188795 563693324 /nfs/dbraw/zinc/69/33/24/563693324.db2.gz GSIISEZKKVJFPC-SSDOTTSWSA-N 0 0 310.329 3.976 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1ccccn1 ZINC000048234313 563693587 /nfs/dbraw/zinc/69/35/87/563693587.db2.gz GOEVNQXKUAOBJH-DOMZBBRYSA-N 0 0 315.442 3.923 50 0 DHAARN Cc1noc(C)c1CCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000048205264 563693611 /nfs/dbraw/zinc/69/36/11/563693611.db2.gz OKYCVLOPDMGMOG-UHFFFAOYSA-N 0 0 311.341 3.518 50 0 DHAARN Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C)c2cccnc2)c1 ZINC000048242122 563694054 /nfs/dbraw/zinc/69/40/54/563694054.db2.gz MTARYGDOUJFTKF-CHWSQXEVSA-N 0 0 318.804 3.688 50 0 DHAARN COc1cc(C)ccc1Oc1ccc(NC(=O)NC(C)C)cn1 ZINC000048239630 563694321 /nfs/dbraw/zinc/69/43/21/563694321.db2.gz AIIPLSWFKZRUTP-UHFFFAOYSA-N 0 0 315.373 3.721 50 0 DHAARN O=[N+]([O-])c1c(-c2ccc(Br)cc2)nc2ccccn21 ZINC000019835367 563694828 /nfs/dbraw/zinc/69/48/28/563694828.db2.gz QVQJXANVWCWVET-UHFFFAOYSA-N 0 0 318.130 3.672 50 0 DHAARN C[C@@H]1C[C@H]1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000048303221 563695107 /nfs/dbraw/zinc/69/51/07/563695107.db2.gz FNKHBEFLHCLJSK-IXPVHAAZSA-N 0 0 303.452 3.940 50 0 DHAARN CC(C)Oc1ccccc1NC(=O)NCCc1ccc(F)cc1 ZINC000048311288 563695754 /nfs/dbraw/zinc/69/57/54/563695754.db2.gz YKAQVDNPJFYDAC-UHFFFAOYSA-N 0 0 316.376 3.977 50 0 DHAARN CC(C)c1cccc(OCC(=O)N(C)Cc2ccsc2)c1 ZINC000048332743 563696480 /nfs/dbraw/zinc/69/64/80/563696480.db2.gz ZIZPGCNUZDHOAC-UHFFFAOYSA-N 0 0 303.427 3.909 50 0 DHAARN CC(C)OCc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 ZINC000048373975 563698351 /nfs/dbraw/zinc/69/83/51/563698351.db2.gz RPFXITQMFYISHR-UHFFFAOYSA-N 0 0 319.351 3.820 50 0 DHAARN C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc(Cl)s1 ZINC000048858691 563699673 /nfs/dbraw/zinc/69/96/73/563699673.db2.gz YUCSFWJCSCFHFS-VIFPVBQESA-N 0 0 314.863 3.893 50 0 DHAARN O=C1CS[C@@H](c2cccnc2)c2cnn(-c3ccccc3)c2N1 ZINC000049544798 563701658 /nfs/dbraw/zinc/70/16/58/563701658.db2.gz VAQGORJRXZDFCQ-INIZCTEOSA-N 0 0 322.393 3.692 50 0 DHAARN CC(C)(C)c1ccc(C(=O)NC[C@H](O)c2cccs2)cc1 ZINC000049912686 563702513 /nfs/dbraw/zinc/70/25/13/563702513.db2.gz BBAHGMYURHTXMY-AWEZNQCLSA-N 0 0 303.427 3.509 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1ccc(F)c(Cl)c1 ZINC000215183060 563704445 /nfs/dbraw/zinc/70/44/45/563704445.db2.gz ICWGEEUUJSOVPK-JTQLQIEISA-N 0 0 309.772 3.652 50 0 DHAARN CCn1ccc2ccc(CN3CCO[C@H](c4cccnc4)C3)cc21 ZINC000215219900 563704643 /nfs/dbraw/zinc/70/46/43/563704643.db2.gz LNROBEALQUYUAR-FQEVSTJZSA-N 0 0 321.424 3.630 50 0 DHAARN CCc1nc(C)sc1C(=O)N[C@@H](c1cc(C)ccn1)C1CC1 ZINC000215528528 563706115 /nfs/dbraw/zinc/70/61/15/563706115.db2.gz JMPMRYLOCMQNNA-OAHLLOKOSA-N 0 0 315.442 3.598 50 0 DHAARN C[C@@H](c1ccncn1)N(C)Cc1ccccc1OC1CCCC1 ZINC000215608365 563706429 /nfs/dbraw/zinc/70/64/29/563706429.db2.gz JYCVUGDGPOWLAZ-HNNXBMFYSA-N 0 0 311.429 3.991 50 0 DHAARN CC[C@H](NC(=O)c1cccc2c1ccn2C)c1ccc(O)cc1 ZINC000216187143 563708255 /nfs/dbraw/zinc/70/82/55/563708255.db2.gz ZOZWOSYNXMEVOP-KRWDZBQOSA-N 0 0 308.381 3.765 50 0 DHAARN C[C@@H](O)CC(C)(C)CNC(=O)c1cc(Cl)ccc1Cl ZINC000095962440 563709229 /nfs/dbraw/zinc/70/92/29/563709229.db2.gz XCXAIXKIOHZOAT-SECBINFHSA-N 0 0 304.217 3.520 50 0 DHAARN Cc1ccc([C@H](C)CC[N@H+](C)Cc2[nH]nc3c2CCCC3)o1 ZINC000216445277 563709864 /nfs/dbraw/zinc/70/98/64/563709864.db2.gz PJYMTCHXKQUOHD-CYBMUJFWSA-N 0 0 301.434 3.816 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccccc1F ZINC000006978516 563710522 /nfs/dbraw/zinc/71/05/22/563710522.db2.gz BNNRBVPIIBFSRC-GOSISDBHSA-N 0 0 306.340 3.740 50 0 DHAARN COc1ccc2c(ccn2CCC(=O)N2CCc3ccccc32)c1 ZINC000012324403 563713213 /nfs/dbraw/zinc/71/32/13/563713213.db2.gz VHKGTTSMMYGCKR-UHFFFAOYSA-N 0 0 320.392 3.629 50 0 DHAARN C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000007878382 563717469 /nfs/dbraw/zinc/71/74/69/563717469.db2.gz ODFSFKFTSTZOOC-KBPBESRZSA-N 0 0 314.454 3.545 50 0 DHAARN COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1noc2ccccc12 ZINC000008130451 563719244 /nfs/dbraw/zinc/71/92/44/563719244.db2.gz OPSAZLYIEMWURG-CYBMUJFWSA-N 0 0 324.380 3.565 50 0 DHAARN O=C(c1ccsc1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000219567009 563720650 /nfs/dbraw/zinc/72/06/50/563720650.db2.gz LUIDMSMWNQVSKL-MRXNPFEDSA-N 0 0 300.427 3.771 50 0 DHAARN Cc1nc2c(s1)CCC[C@H]2NC(=O)c1ccc(Cl)s1 ZINC000219673374 563721325 /nfs/dbraw/zinc/72/13/25/563721325.db2.gz ZSTVITSRIJKQCC-MRVPVSSYSA-N 0 0 312.847 3.974 50 0 DHAARN COc1ccc2c(c1)occ(-c1cnn(-c3ccccc3)c1)c2=O ZINC000000407243 563721823 /nfs/dbraw/zinc/72/18/23/563721823.db2.gz CUZDUOSAVZVNSJ-UHFFFAOYSA-N 0 0 318.332 3.654 50 0 biogenic DHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032755141 563723484 /nfs/dbraw/zinc/72/34/84/563723484.db2.gz ZNKDQUPVBBMAGF-HNNXBMFYSA-N 0 0 315.438 3.917 50 0 DHAARN Cc1ccc(-c2nc(C(=O)NCc3cccs3)cs2)o1 ZINC000033152948 563723907 /nfs/dbraw/zinc/72/39/07/563723907.db2.gz JQEARSZVGNBVGN-UHFFFAOYSA-N 0 0 304.396 3.703 50 0 DHAARN C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000221847305 563724035 /nfs/dbraw/zinc/72/40/35/563724035.db2.gz QBFAPZJYBWVMFE-LJRRSDMTSA-N 0 0 313.466 3.911 50 0 DHAARN CC[C@H](C)NC(=O)c1csc(Nc2ccc(F)c(F)c2)n1 ZINC000033138801 563724194 /nfs/dbraw/zinc/72/41/94/563724194.db2.gz NFHFYNRQBJFRRE-QMMMGPOBSA-N 0 0 311.357 3.693 50 0 DHAARN Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3)C2)cc1C ZINC000034465365 563730549 /nfs/dbraw/zinc/73/05/49/563730549.db2.gz HAQJISXHNJSRLT-QGZVFWFLSA-N 0 0 309.438 3.698 50 0 DHAARN Cc1nc([C@@H](C)NC(=O)CCc2ccc(F)cc2)c(C)s1 ZINC000223404066 563734257 /nfs/dbraw/zinc/73/42/57/563734257.db2.gz RQXQLRUVNPBKEU-SNVBAGLBSA-N 0 0 306.406 3.709 50 0 DHAARN COC1CCN(C(=O)c2ccccc2-c2ccccc2F)CC1 ZINC000223702859 563735146 /nfs/dbraw/zinc/73/51/46/563735146.db2.gz JCWGCRIJTWGKDB-UHFFFAOYSA-N 0 0 313.372 3.744 50 0 DHAARN Cc1c[nH]c([C@H](C)NC(=O)c2ccccc2-c2ccccc2)n1 ZINC000223951977 563738338 /nfs/dbraw/zinc/73/83/38/563738338.db2.gz JPCCGOLNLKZBCZ-AWEZNQCLSA-N 0 0 305.381 3.876 50 0 DHAARN C[C@H]1CN(C(=O)Nc2cccc3nnsc32)c2ccccc21 ZINC000601014204 563742588 /nfs/dbraw/zinc/74/25/88/563742588.db2.gz BLAXMWQFADQFST-JTQLQIEISA-N 0 0 310.382 3.847 50 0 DHAARN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cnc(C2CCCC2)s1 ZINC000225328762 563752209 /nfs/dbraw/zinc/75/22/09/563752209.db2.gz BFDKRZJDXGFICX-IUODEOHRSA-N 0 0 322.474 3.574 50 0 DHAARN Cc1oc2ncnc(NC(=O)c3ccccc3Cl)c2c1C ZINC000225398760 563754128 /nfs/dbraw/zinc/75/41/28/563754128.db2.gz OXZICQDPNLWUEM-UHFFFAOYSA-N 0 0 301.733 3.745 50 0 DHAARN C[C@H]1c2c(F)cccc2CC[N@H+]1CCCC(=O)OC(C)(C)C ZINC000225493943 563757104 /nfs/dbraw/zinc/75/71/04/563757104.db2.gz FEEGXJTWADSCBJ-ZDUSSCGKSA-N 0 0 307.409 3.867 50 0 DHAARN C[C@H](c1ccccc1)[C@H](CC(N)=O)c1cn(C)c2ccccc12 ZINC000096275849 563761923 /nfs/dbraw/zinc/76/19/23/563761923.db2.gz KNPQERXNURDMQI-PBHICJAKSA-N 0 0 306.409 3.941 50 0 DHAARN COc1cnc(NC(=O)N[C@H](C)c2cccc(Cl)c2)s1 ZINC000225850478 563764614 /nfs/dbraw/zinc/76/46/14/563764614.db2.gz TYWMTRDMKKEKTR-MRVPVSSYSA-N 0 0 311.794 3.688 50 0 DHAARN CCS[C@H]1CCC[C@H]1Nc1ccncc1Br ZINC000229549690 563772936 /nfs/dbraw/zinc/77/29/36/563772936.db2.gz HPEAAZIHQAZVMS-NEPJUHHUSA-N 0 0 301.253 3.930 50 0 DHAARN CCn1ccnc1CN[C@@H](C)c1ccccc1Br ZINC000051921803 563774176 /nfs/dbraw/zinc/77/41/76/563774176.db2.gz XQXAQBCJPWOUSF-NSHDSACASA-N 0 0 308.223 3.516 50 0 DHAARN Cc1nc(C)c(-c2cc(F)ccc2OC[C@@H]2CCOC2)s1 ZINC000685942611 563774188 /nfs/dbraw/zinc/77/41/88/563774188.db2.gz YCLLCQXHRYENJT-GFCCVEGCSA-N 0 0 307.390 3.981 50 0 DHAARN O=C(CCN1CCCC[C@@H]1c1nccs1)c1ccccc1 ZINC000182180873 563774357 /nfs/dbraw/zinc/77/43/57/563774357.db2.gz GMDRDTXXVGFWEN-OAHLLOKOSA-N 0 0 300.427 3.943 50 0 DHAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1 ZINC000012435568 563774481 /nfs/dbraw/zinc/77/44/81/563774481.db2.gz VQNCSQPEAQOATP-UHFFFAOYSA-N 0 0 314.772 3.941 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1C ZINC000012435701 563774538 /nfs/dbraw/zinc/77/45/38/563774538.db2.gz GHHAYOQQYKQULC-UHFFFAOYSA-N 0 0 308.381 3.904 50 0 DHAARN COc1ccccc1-c1nn(CNc2ccccc2)c(=S)o1 ZINC000000032011 563775045 /nfs/dbraw/zinc/77/50/45/563775045.db2.gz CXRDMORNFCVVIW-UHFFFAOYSA-N 0 0 313.382 3.951 50 0 DHAARN COc1ncccc1N(C)C(=O)c1cc(C)cc2c(C)ccnc12 ZINC000240333651 563776390 /nfs/dbraw/zinc/77/63/90/563776390.db2.gz FEPPDKPNSQTPHQ-UHFFFAOYSA-N 0 0 321.380 3.532 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCC[C@H](c2ccccc2)CC1 ZINC000242178769 563777901 /nfs/dbraw/zinc/77/79/01/563777901.db2.gz XASBPFSDZBCRQV-HNNXBMFYSA-N 0 0 310.397 3.962 50 0 DHAARN O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)[C@@H]1CCCOC1 ZINC000242288027 563777954 /nfs/dbraw/zinc/77/79/54/563777954.db2.gz YKMXYPLSKQTNGA-CQSZACIVSA-N 0 0 321.380 3.595 50 0 DHAARN CCCCN(Cc1ccccc1Cl)C(=O)c1cccc(=O)[nH]1 ZINC000241884899 563778148 /nfs/dbraw/zinc/77/81/48/563778148.db2.gz SYPXLBKLEREXIT-UHFFFAOYSA-N 0 0 318.804 3.883 50 0 DHAARN Cc1nnc(SC[C@@H]2CCC(C)(C)O2)n1Cc1ccccc1 ZINC000242339033 563778415 /nfs/dbraw/zinc/77/84/15/563778415.db2.gz ZEIWKJPQUQEAER-HNNXBMFYSA-N 0 0 317.458 3.685 50 0 DHAARN CCc1[nH]nc2c1CN(Cc1cc(C3CCCCC3)no1)CC2 ZINC000244633398 563779374 /nfs/dbraw/zinc/77/93/74/563779374.db2.gz GCGCJYYMRGJOFQ-UHFFFAOYSA-N 0 0 314.433 3.566 50 0 DHAARN CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000244828552 563780042 /nfs/dbraw/zinc/78/00/42/563780042.db2.gz TYGPEXZRJYGQCT-UAGQMJEPSA-N 0 0 315.413 3.858 50 0 DHAARN C[C@H]1CN(C(=O)c2ccccc2)O[C@H](c2c[nH]c3ccccc32)O1 ZINC000003669937 563780436 /nfs/dbraw/zinc/78/04/36/563780436.db2.gz ZOABXWZBVLSUOG-ORAYPTAESA-N 0 0 322.364 3.659 50 0 DHAARN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccncc2)c(F)c1 ZINC000052267694 563786294 /nfs/dbraw/zinc/78/62/94/563786294.db2.gz UQOUQMJBHGONDC-LBPRGKRZSA-N 0 0 317.364 3.891 50 0 DHAARN OCC1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000052243574 563786817 /nfs/dbraw/zinc/78/68/17/563786817.db2.gz FEIZTJVRQZUEEV-UHFFFAOYSA-N 0 0 319.408 3.506 50 0 DHAARN O=C(NCCOCc1ccccc1)c1c(Cl)cccc1Cl ZINC000081965220 563787491 /nfs/dbraw/zinc/78/74/91/563787491.db2.gz CFWWBWRWZQRHJV-UHFFFAOYSA-N 0 0 324.207 3.940 50 0 DHAARN O=C(Nc1nccs1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000052460469 563788216 /nfs/dbraw/zinc/78/82/16/563788216.db2.gz AWYJURFXOMSDLQ-ZDUSSCGKSA-N 0 0 305.378 3.521 50 0 DHAARN CCOCc1ccccc1NC(=O)NCc1ccccc1OC ZINC000052468749 563788501 /nfs/dbraw/zinc/78/85/01/563788501.db2.gz GTWZWUDGBWZJSH-UHFFFAOYSA-N 0 0 314.385 3.553 50 0 DHAARN CCCc1cc(C(=O)Nc2ccc(Br)cc2C)n[nH]1 ZINC000025600420 563793878 /nfs/dbraw/zinc/79/38/78/563793878.db2.gz WDKXUHXXWPBHOT-UHFFFAOYSA-N 0 0 322.206 3.685 50 0 DHAARN C[C@@H](NC(=O)C1(c2ccccc2)CCC1)c1ccc2c(c1)OCO2 ZINC000025584354 563793933 /nfs/dbraw/zinc/79/39/33/563793933.db2.gz ISUDDLZWWLXVJL-CQSZACIVSA-N 0 0 323.392 3.714 50 0 DHAARN Cc1ccsc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008016005 563795170 /nfs/dbraw/zinc/79/51/70/563795170.db2.gz KQCZFKSJOGPNJI-UHFFFAOYSA-N 0 0 320.845 3.672 50 0 DHAARN CCN(CC)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000078762406 563795546 /nfs/dbraw/zinc/79/55/46/563795546.db2.gz VXSOTIOANNLIEL-NRFANRHFSA-N 0 0 310.463 3.608 50 0 DHAARN Cc1ccc([C@@H](OC(=O)Cn2ccnc2)c2ccccc2)cc1 ZINC000006025285 563795585 /nfs/dbraw/zinc/79/55/85/563795585.db2.gz YFAFEXCBJRBHOZ-IBGZPJMESA-N 0 0 306.365 3.524 50 0 DHAARN CSc1ccc([C@@H](C)NC(=O)c2ccc[nH]c2=S)cc1 ZINC000031690556 563796242 /nfs/dbraw/zinc/79/62/42/563796242.db2.gz GEEZTSYLGKUJBH-SNVBAGLBSA-N 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ZINC000086428807 563845596 /nfs/dbraw/zinc/84/55/96/563845596.db2.gz WICNICMXXIERSK-NEPJUHHUSA-N 0 0 309.479 3.985 50 0 DHAARN CCCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000001518720 563846072 /nfs/dbraw/zinc/84/60/72/563846072.db2.gz RHQHLAISBXTFEL-UHFFFAOYSA-N 0 0 314.366 3.655 50 0 DHAARN O=[S@](CCc1ccccc1Br)c1ccccc1 ZINC000043214789 563847829 /nfs/dbraw/zinc/84/78/29/563847829.db2.gz QSIOGRNYIYRFDW-KRWDZBQOSA-N 0 0 309.228 3.799 50 0 DHAARN CC(C)[C@@]1(CO)CCCN(C(=O)c2csc3ccccc23)C1 ZINC000294963534 563851367 /nfs/dbraw/zinc/85/13/67/563851367.db2.gz YLNRCZMPIQSNEM-SFHVURJKSA-N 0 0 317.454 3.772 50 0 DHAARN COC(=O)/C(=C1/OC(c2ccccc2)=CS1)C(F)(F)F ZINC000006179334 563851636 /nfs/dbraw/zinc/85/16/36/563851636.db2.gz ASRSWFSQGHMHIJ-ZRDIBKRKSA-N 0 0 302.273 3.695 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccsc2)c(OC)c1 ZINC000012890374 563852635 /nfs/dbraw/zinc/85/26/35/563852635.db2.gz QTWRTDNYRZZPAE-HNNXBMFYSA-N 0 0 317.410 3.743 50 0 DHAARN Cc1ccc(OCC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000012891615 563852667 /nfs/dbraw/zinc/85/26/67/563852667.db2.gz XOPMXDSYTJKIDO-INIZCTEOSA-N 0 0 313.422 3.727 50 0 DHAARN Cc1cc(N[C@H](c2cccs2)c2ccccc2)n2ncnc2n1 ZINC000012895765 563852812 /nfs/dbraw/zinc/85/28/12/563852812.db2.gz PAKDVFFMNXVNDX-INIZCTEOSA-N 0 0 321.409 3.696 50 0 DHAARN CC(C)c1ccccc1OCC(=O)N[C@@H]1CCc2ccccc21 ZINC000012905036 563853227 /nfs/dbraw/zinc/85/32/27/563853227.db2.gz DZNAPRRXUHWDDX-GOSISDBHSA-N 0 0 309.409 3.993 50 0 DHAARN O=C(NCc1ccncc1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000075127698 563860139 /nfs/dbraw/zinc/86/01/39/563860139.db2.gz IKKZCJQLSMMOIO-KRWDZBQOSA-N 0 0 313.376 3.561 50 0 DHAARN FC(F)(F)c1cc(-c2ccccn2)nc(-c2ccccn2)n1 ZINC000075120439 563860321 /nfs/dbraw/zinc/86/03/21/563860321.db2.gz KSTMUCWYXYMTPH-UHFFFAOYSA-N 0 0 302.259 3.619 50 0 DHAARN Cc1csc(-c2nnc(NC(=O)c3c[nH]c4ccccc43)o2)c1 ZINC000075154662 563860708 /nfs/dbraw/zinc/86/07/08/563860708.db2.gz HUXQKKCIHWDXOB-UHFFFAOYSA-N 0 0 324.365 3.840 50 0 DHAARN O=C(NCc1cccs1)N1CCC(c2cccs2)CC1 ZINC000075157081 563861127 /nfs/dbraw/zinc/86/11/27/563861127.db2.gz DIYVCDFDGAIKKT-UHFFFAOYSA-N 0 0 306.456 3.899 50 0 DHAARN CS(=O)(=O)N1c2ccccc2C=C[C@@H]1c1cc2ccccc2[nH]1 ZINC000075260002 563861787 /nfs/dbraw/zinc/86/17/87/563861787.db2.gz FHTUPFICMLREKQ-GOSISDBHSA-N 0 0 324.405 3.702 50 0 DHAARN O=C(Nc1ccnn1C(=O)Nc1ccccc1)Nc1ccccc1 ZINC000075272980 563862260 /nfs/dbraw/zinc/86/22/60/563862260.db2.gz OKANSCWMFBFPJJ-UHFFFAOYSA-N 0 0 321.340 3.607 50 0 DHAARN COc1ccc(/C=C2/N=C(C)N(c3ccc(C)cc3)C2=O)cc1 ZINC000075271588 563862336 /nfs/dbraw/zinc/86/23/36/563862336.db2.gz BUKSQKMLCYVJTI-LDADJPATSA-N 0 0 306.365 3.810 50 0 DHAARN C[C@@H](Nc1ccc(NC(=O)Cc2cc[nH]n2)cc1)c1ccccc1 ZINC000121438992 563864058 /nfs/dbraw/zinc/86/40/58/563864058.db2.gz CHASEPWHLFUBID-CQSZACIVSA-N 0 0 320.396 3.764 50 0 DHAARN CCc1ccccc1NC(=O)CN1c2ccccc2C(C)(C)C1=O ZINC000035398821 563866867 /nfs/dbraw/zinc/86/68/67/563866867.db2.gz AGHRQZCPNYRYCJ-UHFFFAOYSA-N 0 0 322.408 3.512 50 0 DHAARN O=C(NCc1cncc(-c2ccoc2)c1)c1cccc(Cl)c1 ZINC000575621003 563867814 /nfs/dbraw/zinc/86/78/14/563867814.db2.gz SMRXKDJFOKZJIW-UHFFFAOYSA-N 0 0 312.756 3.925 50 0 DHAARN Cc1noc(C)c1C(=O)N[C@H](C)Cc1csc2ccccc12 ZINC000575621765 563868308 /nfs/dbraw/zinc/86/83/08/563868308.db2.gz TZPWWKVTYUXMMO-SNVBAGLBSA-N 0 0 314.410 3.867 50 0 DHAARN O=C(CC1CCCC1)N1CC(OCc2ccc(Cl)cc2)C1 ZINC000035508990 563870899 /nfs/dbraw/zinc/87/08/99/563870899.db2.gz NJUDAQJORZAYGT-UHFFFAOYSA-N 0 0 307.821 3.648 50 0 DHAARN COc1ccc(NC(C)=O)cc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000121998919 563871460 /nfs/dbraw/zinc/87/14/60/563871460.db2.gz AXROLBMBGGDVQS-NHYWBVRUSA-N 0 0 314.385 3.982 50 0 DHAARN C[C@@H](Nc1ccc(Cl)c(C[S@](C)=O)c1)c1ccccn1 ZINC000191176653 563871639 /nfs/dbraw/zinc/87/16/39/563871639.db2.gz WRZBXGWXFWRZKK-GIPWTMENSA-N 0 0 308.834 3.787 50 0 DHAARN COCCN1CCCc2ccc(NC(=O)c3ccc(C)cc3)cc21 ZINC000035588058 563872895 /nfs/dbraw/zinc/87/28/95/563872895.db2.gz DKEGLOVRQANMDP-UHFFFAOYSA-N 0 0 324.424 3.646 50 0 DHAARN CS(=O)(=O)n1c2ccccc2nc1CCCC1CCCCC1 ZINC000035788497 563873437 /nfs/dbraw/zinc/87/34/37/563873437.db2.gz CEVGDGXSYOENKP-UHFFFAOYSA-N 0 0 320.458 3.747 50 0 DHAARN Cc1ccc(Nc2[nH]nc(N)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000035671239 563873848 /nfs/dbraw/zinc/87/38/48/563873848.db2.gz HHVMVNFDFIJWSB-UHFFFAOYSA-N 0 0 321.384 3.605 50 0 DHAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(C)c3)o2)cs1 ZINC000012998882 563874489 /nfs/dbraw/zinc/87/44/89/563874489.db2.gz JEAJEJKONFCIGO-UHFFFAOYSA-N 0 0 312.394 3.950 50 0 DHAARN Cc1c(C(=O)NCC2CCCCC2)cnn1-c1ccccc1F ZINC000013005790 563875103 /nfs/dbraw/zinc/87/51/03/563875103.db2.gz DIRLFODNYWCWQR-UHFFFAOYSA-N 0 0 315.392 3.630 50 0 DHAARN c1cc(-c2nc3ccccc3c(NC[C@H]3CCCO3)n2)cs1 ZINC000013008320 563875659 /nfs/dbraw/zinc/87/56/59/563875659.db2.gz GGSINBWWWPMDCH-CYBMUJFWSA-N 0 0 311.410 3.949 50 0 DHAARN O=C(CCc1conc1-c1ccccc1)NCc1ccc(F)cc1 ZINC000075510098 563878235 /nfs/dbraw/zinc/87/82/35/563878235.db2.gz JKPIVLRDNWHPFG-UHFFFAOYSA-N 0 0 324.355 3.730 50 0 DHAARN COc1ccc(C2OCC(C)(C)CO2)cc1Br ZINC000000383943 563878649 /nfs/dbraw/zinc/87/86/49/563878649.db2.gz FTYNTOQCCHAXGR-UHFFFAOYSA-N 0 0 301.180 3.529 50 0 DHAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1cccnc1 ZINC000000523678 563879255 /nfs/dbraw/zinc/87/92/55/563879255.db2.gz HXNVXTNSOQDIAV-UHFFFAOYSA-N 0 0 310.426 3.961 50 0 DHAARN O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1F ZINC000239415367 563880203 /nfs/dbraw/zinc/88/02/03/563880203.db2.gz UFXUJLFVHSBNKX-STQMWFEESA-N 0 0 324.827 3.930 50 0 DHAARN CC(C)c1ccc([C@H](C)N2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000241684854 563880785 /nfs/dbraw/zinc/88/07/85/563880785.db2.gz QFTINGOVVRYVEE-KBXCAEBGSA-N 0 0 301.430 3.551 50 0 DHAARN CCN(C[C@@H]1CCOC1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000242389633 563880954 /nfs/dbraw/zinc/88/09/54/563880954.db2.gz ZZAUZUMEHNMNJA-YSSFQJQWSA-N 0 0 323.436 3.828 50 0 DHAARN CCSCC[C@H](C)N(C)C(=O)Nc1cccnc1Cl ZINC000075546343 563881496 /nfs/dbraw/zinc/88/14/96/563881496.db2.gz VUZOFIZWBTUNQR-JTQLQIEISA-N 0 0 301.843 3.730 50 0 DHAARN CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000089355921 563884954 /nfs/dbraw/zinc/88/49/54/563884954.db2.gz YMWBHTYUYCEUIH-KBPBESRZSA-N 0 0 315.335 3.719 50 0 DHAARN Cc1cc(Br)oc1C(=O)N(C)[C@H](C)c1cccnc1 ZINC000068172909 563885645 /nfs/dbraw/zinc/88/56/45/563885645.db2.gz HQWKCHZHQVITEJ-SNVBAGLBSA-N 0 0 323.190 3.579 50 0 DHAARN COC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1Cl ZINC000026880128 563886044 /nfs/dbraw/zinc/88/60/44/563886044.db2.gz HIAFYGDDDVARDX-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 ZINC000000310292 563886854 /nfs/dbraw/zinc/88/68/54/563886854.db2.gz YYZRXYBGIXILTB-RBUKOAKNSA-N 0 0 313.397 3.613 50 0 biogenic DHAARN CCCCN(CCC(=O)N(CCC)CCC)C(=O)c1ccoc1 ZINC000035809113 563887739 /nfs/dbraw/zinc/88/77/39/563887739.db2.gz GWGZJLWRMNVAFT-UHFFFAOYSA-N 0 0 322.449 3.561 50 0 DHAARN C(N=Nc1ncnc2sccc21)=C1COc2ccccc2C1 ZINC000252680205 563888490 /nfs/dbraw/zinc/88/84/90/563888490.db2.gz XMWSNVDTTAANMJ-UHFFFAOYSA-N 0 0 308.366 3.565 50 0 DHAARN CC[C@H](C)NC(=O)c1c(C)cc(C)n1Cc1ccc(F)c(F)c1 ZINC000035836993 563888737 /nfs/dbraw/zinc/88/87/37/563888737.db2.gz FVYCIDZAEGRCQC-LBPRGKRZSA-N 0 0 320.383 3.960 50 0 DHAARN Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1-c1ncc[nH]1 ZINC000089526260 563889425 /nfs/dbraw/zinc/88/94/25/563889425.db2.gz WLMIFBOWUNCFPI-LLVKDONJSA-N 0 0 324.384 3.814 50 0 DHAARN CC[C@@H](C(=O)Nc1c(F)cccc1OC)c1ccc(OC)cc1 ZINC000192598662 563890274 /nfs/dbraw/zinc/89/02/74/563890274.db2.gz GAZZKMMCBGGNGN-CQSZACIVSA-N 0 0 317.360 3.975 50 0 DHAARN Cc1noc(C)c1CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054296202 563890845 /nfs/dbraw/zinc/89/08/45/563890845.db2.gz IDSWMOMVOVZACH-UHFFFAOYSA-N 0 0 312.413 3.695 50 0 DHAARN Cc1cc([C@@H](C)NC(=O)N(C)Cc2cc(Cl)cn2C)c(C)o1 ZINC000089580412 563891209 /nfs/dbraw/zinc/89/12/09/563891209.db2.gz REDQZIBHGZESQD-LLVKDONJSA-N 0 0 323.824 3.791 50 0 DHAARN CCCN(Cc1cc(-c2ccccc2OC)on1)C(=O)C(C)C ZINC000036004695 563891561 /nfs/dbraw/zinc/89/15/61/563891561.db2.gz JZUJAAGASDAQSN-UHFFFAOYSA-N 0 0 316.401 3.745 50 0 DHAARN CC(=O)N(Cc1cc(-c2ccc(C)c(C)c2)on1)CC(C)C ZINC000036012130 563891757 /nfs/dbraw/zinc/89/17/57/563891757.db2.gz VYKSLFIELJOPQZ-UHFFFAOYSA-N 0 0 300.402 3.963 50 0 DHAARN CCCNC(=O)N(C)Cc1cc(-c2cc(C)ccc2C)on1 ZINC000036005688 563891836 /nfs/dbraw/zinc/89/18/36/563891836.db2.gz HERJHYLGERQRJU-UHFFFAOYSA-N 0 0 301.390 3.510 50 0 DHAARN CC(C)(C)c1ccc(C(=O)NCCn2cnc3ccccc32)cc1 ZINC000064661403 563892138 /nfs/dbraw/zinc/89/21/38/563892138.db2.gz MBAMCIOEBHXQQB-UHFFFAOYSA-N 0 0 321.424 3.764 50 0 DHAARN Cc1ccccc1C(=O)NCc1ccc2c(c1)ncn2C(C)C ZINC000064754898 563892898 /nfs/dbraw/zinc/89/28/98/563892898.db2.gz KWGLXDTZIUKUNQ-UHFFFAOYSA-N 0 0 307.397 3.856 50 0 DHAARN O=C(Nc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000036140922 563894282 /nfs/dbraw/zinc/89/42/82/563894282.db2.gz NCFQNDUTXQNLEY-UHFFFAOYSA-N 0 0 314.772 3.719 50 0 DHAARN CC(C)c1ccccc1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000036185050 563894652 /nfs/dbraw/zinc/89/46/52/563894652.db2.gz CMCYNBKRXPPPHB-UHFFFAOYSA-N 0 0 311.307 3.664 50 0 DHAARN Cc1ccccc1NC(=O)NCCCN1CCCc2ccccc21 ZINC000006785769 563894678 /nfs/dbraw/zinc/89/46/78/563894678.db2.gz JAXGIBVPUBQHCD-UHFFFAOYSA-N 0 0 323.440 3.959 50 0 DHAARN CCN1CCN(C(=O)Nc2cccc(C)c2C)c2cccnc21 ZINC000064929404 563894734 /nfs/dbraw/zinc/89/47/34/563894734.db2.gz MZUIVOYFTQNMAM-UHFFFAOYSA-N 0 0 310.401 3.577 50 0 DHAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(CO)c1 ZINC000037974860 563895055 /nfs/dbraw/zinc/89/50/55/563895055.db2.gz ZTNIJOMLJAQABB-UHFFFAOYSA-N 0 0 307.802 3.563 50 0 DHAARN Cc1c(Cl)c2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000001633579 563895337 /nfs/dbraw/zinc/89/53/37/563895337.db2.gz QIULZNQRTYZHHA-UHFFFAOYSA-N 0 0 305.786 3.840 50 0 DHAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCCC1 ZINC000001643128 563895396 /nfs/dbraw/zinc/89/53/96/563895396.db2.gz XQQKZHKJJACIRO-UHFFFAOYSA-N 0 0 304.393 3.931 50 0 DHAARN COc1cccc(-c2cncc(C(=O)NCc3ccccc3)c2)c1 ZINC000036346980 563895506 /nfs/dbraw/zinc/89/55/06/563895506.db2.gz DMHRMJSBPTWBPU-UHFFFAOYSA-N 0 0 318.376 3.687 50 0 DHAARN O=C(CNc1cccc2ccccc21)N1CCc2ccccc21 ZINC000006867355 563897539 /nfs/dbraw/zinc/89/75/39/563897539.db2.gz ZJYKNYIYQVWVDR-UHFFFAOYSA-N 0 0 302.377 3.841 50 0 DHAARN CC(=O)c1ccc(OCCCC(=O)NCC2CCCCC2)cc1 ZINC000006879110 563898016 /nfs/dbraw/zinc/89/80/16/563898016.db2.gz WUZCAJRDQJJVST-UHFFFAOYSA-N 0 0 317.429 3.745 50 0 DHAARN COc1ccc([C@H](NC(=O)c2ccncc2)c2ccccc2)cc1 ZINC000006881879 563898443 /nfs/dbraw/zinc/89/84/43/563898443.db2.gz ARODZGWPNRBUSD-LJQANCHMSA-N 0 0 318.376 3.610 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000006901548 563898973 /nfs/dbraw/zinc/89/89/73/563898973.db2.gz OJTKGTGAITXQLV-UHFFFAOYSA-N 0 0 314.429 3.533 50 0 DHAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(C2CC2)s1 ZINC000006904441 563899111 /nfs/dbraw/zinc/89/91/11/563899111.db2.gz KIVWHAKBYICRTH-UHFFFAOYSA-N 0 0 317.458 3.961 50 0 DHAARN CC(C)(C)C(=O)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135307 563899794 /nfs/dbraw/zinc/89/97/94/563899794.db2.gz GGLVMVAONMHCSP-MRXNPFEDSA-N 0 0 323.440 3.896 50 0 DHAARN CCc1nc(SC)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000006938372 563900170 /nfs/dbraw/zinc/90/01/70/563900170.db2.gz FZNFUKMUKAZKOG-UHFFFAOYSA-N 0 0 307.806 3.667 50 0 DHAARN COc1cccc(CN(C)C(=O)c2ccccc2Cl)c1OC ZINC000006940364 563900192 /nfs/dbraw/zinc/90/01/92/563900192.db2.gz MHCHCNKCQUHVMA-UHFFFAOYSA-N 0 0 319.788 3.629 50 0 DHAARN O=C(Nc1cc(-c2ccccn2)no1)c1ccc2ccccc2n1 ZINC000065152857 563900336 /nfs/dbraw/zinc/90/03/36/563900336.db2.gz LCJXOAJSLVTSOW-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN CCn1cc(C(=O)NCc2ccccc2Cl)c2cccnc21 ZINC000065216637 563900953 /nfs/dbraw/zinc/90/09/53/563900953.db2.gz JVXKIQZHLQRTSR-UHFFFAOYSA-N 0 0 313.788 3.640 50 0 DHAARN O=C(Nc1ccccc1O)c1cc2c(nc3sccn23)s1 ZINC000036626794 563901550 /nfs/dbraw/zinc/90/15/50/563901550.db2.gz FADMYTXTRQBCBL-UHFFFAOYSA-N 0 0 315.379 3.568 50 0 DHAARN Cc1noc(C)c1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000036619853 563901556 /nfs/dbraw/zinc/90/15/56/563901556.db2.gz LGDSZWAQGAZDJU-NSHDSACASA-N 0 0 316.426 3.751 50 0 DHAARN CC(=O)c1ccccc1NCC(=O)Nc1cccc(Cl)c1 ZINC000007976281 563901569 /nfs/dbraw/zinc/90/15/69/563901569.db2.gz DKDUORKZUAXKER-UHFFFAOYSA-N 0 0 302.761 3.593 50 0 DHAARN CCSc1ccccc1C(=O)NCCc1ccc(F)cc1 ZINC000007068890 563902113 /nfs/dbraw/zinc/90/21/13/563902113.db2.gz PPESNORZWAJQSY-UHFFFAOYSA-N 0 0 303.402 3.910 50 0 DHAARN N#Cc1ccc(Oc2ccc(Br)c(CO)c2)cc1 ZINC000114176713 563924242 /nfs/dbraw/zinc/92/42/42/563924242.db2.gz DAMOSKSUIVLOJT-UHFFFAOYSA-N 0 0 304.143 3.605 50 0 DHAARN CCc1nc2ccc(C(=O)N3CCCCCC3)cc2nc1CC ZINC000007064280 563902453 /nfs/dbraw/zinc/90/24/53/563902453.db2.gz CRCWVZZNXPFLMK-UHFFFAOYSA-N 0 0 311.429 3.771 50 0 DHAARN Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000007132489 563903512 /nfs/dbraw/zinc/90/35/12/563903512.db2.gz LILHIUWVANCTFK-UHFFFAOYSA-N 0 0 312.756 3.742 50 0 DHAARN Cc1nn(CCNC(=O)[C@@H]2CC=CCC2)c(C)c1-c1ccccc1 ZINC000238874698 563903920 /nfs/dbraw/zinc/90/39/20/563903920.db2.gz NTJPCDNNYSACMG-GOSISDBHSA-N 0 0 323.440 3.639 50 0 DHAARN Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000036744727 563903937 /nfs/dbraw/zinc/90/39/37/563903937.db2.gz XSLFZKUWVQVRNZ-LBPRGKRZSA-N 0 0 308.381 3.865 50 0 DHAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCOc2ccccc21 ZINC000036760869 563903943 /nfs/dbraw/zinc/90/39/43/563903943.db2.gz WNQSDSOQEYBOEB-UHFFFAOYSA-N 0 0 322.339 3.722 50 0 DHAARN CC(=O)c1ccccc1NCC(=O)Nc1cccc(Cl)c1C ZINC000036802858 563904662 /nfs/dbraw/zinc/90/46/62/563904662.db2.gz CSIJLJAOKCKAFW-UHFFFAOYSA-N 0 0 316.788 3.902 50 0 DHAARN COc1ccc(SCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000007278031 563904938 /nfs/dbraw/zinc/90/49/38/563904938.db2.gz CZIBOYFEWHFXKU-UHFFFAOYSA-N 0 0 315.394 3.629 50 0 DHAARN CC(=O)Nc1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000007272428 563905148 /nfs/dbraw/zinc/90/51/48/563905148.db2.gz ITYNXINLENXFSM-UHFFFAOYSA-N 0 0 324.409 3.882 50 0 DHAARN COc1cccc([C@H](C)n2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000007276945 563905166 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COc1cccc2cc(C(=O)Nc3onc4c3CCCC4)oc21 ZINC000008976712 563951597 /nfs/dbraw/zinc/95/15/97/563951597.db2.gz FFKQVJOCOQDKTP-UHFFFAOYSA-N 0 0 312.325 3.561 50 0 DHAARN Cc1nc([C@H](C)NC(=O)NCCCc2cccc(F)c2)cs1 ZINC000069113671 563951613 /nfs/dbraw/zinc/95/16/13/563951613.db2.gz YNLLXQLRJUOAJX-NSHDSACASA-N 0 0 321.421 3.584 50 0 DHAARN COc1cc2ccccc2cc1C(=O)Nc1onc2c1CCCC2 ZINC000008976623 563951659 /nfs/dbraw/zinc/95/16/59/563951659.db2.gz JYWHUOURHXHKLW-UHFFFAOYSA-N 0 0 322.364 3.968 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c1 ZINC000008959225 563951688 /nfs/dbraw/zinc/95/16/88/563951688.db2.gz VCJPKBJZCOZEOZ-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000009060225 563952133 /nfs/dbraw/zinc/95/21/33/563952133.db2.gz GKNKRZSLPHYRLG-SFHVURJKSA-N 0 0 319.408 3.859 50 0 DHAARN C[C@@H](SC[C@@H](O)c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000069290625 563952228 /nfs/dbraw/zinc/95/22/28/563952228.db2.gz QSQICFOPRXNGHQ-DGCLKSJQSA-N 0 0 306.431 3.895 50 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DHAARN CC(C)(CNC(=O)CCc1nccs1)c1ccccc1Cl ZINC000069518548 563953223 /nfs/dbraw/zinc/95/32/23/563953223.db2.gz QIYRMOJDLSZYSU-UHFFFAOYSA-N 0 0 322.861 3.823 50 0 DHAARN COc1ccc(CC[C@@H]2CCCCN2C(=O)C(C)C)cc1OC ZINC000069538891 563953376 /nfs/dbraw/zinc/95/33/76/563953376.db2.gz NYPPQWUZQONGCG-INIZCTEOSA-N 0 0 319.445 3.674 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cccc2ccccc21 ZINC000009134379 563953401 /nfs/dbraw/zinc/95/34/01/563953401.db2.gz LTUDJMCFWNTHFR-UHFFFAOYSA-N 0 0 316.360 3.977 50 0 DHAARN Cc1nc(/C=C/C(=O)N(Cc2ccccc2F)C2CC2)cs1 ZINC000069535905 563953461 /nfs/dbraw/zinc/95/34/61/563953461.db2.gz ASHOEQIOXQRISW-RMKNXTFCSA-N 0 0 316.401 3.795 50 0 DHAARN Cc1ccccc1C(=O)Nc1c(-c2ccc(F)cc2)ncn1C ZINC000069568203 563953561 /nfs/dbraw/zinc/95/35/61/563953561.db2.gz LFJLDYCOEUHJRQ-UHFFFAOYSA-N 0 0 309.344 3.787 50 0 DHAARN Cc1nc2cc(NC(=O)CCOc3ccc(C)cc3)ccc2o1 ZINC000009154032 563953630 /nfs/dbraw/zinc/95/36/30/563953630.db2.gz FKAIWJNMVONFCE-UHFFFAOYSA-N 0 0 310.353 3.852 50 0 DHAARN Cc1ccccc1C1(CNC(=O)N(C)[C@H](C)c2cccnc2)CC1 ZINC000069584069 563953755 /nfs/dbraw/zinc/95/37/55/563953755.db2.gz KDAAXSAGLCRGIZ-MRXNPFEDSA-N 0 0 323.440 3.824 50 0 DHAARN CCCC(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000009192178 563953897 /nfs/dbraw/zinc/95/38/97/563953897.db2.gz ZHVAECKRJHCOPP-UHFFFAOYSA-N 0 0 312.413 3.637 50 0 DHAARN Cc1cccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)c1 ZINC000009194343 563953924 /nfs/dbraw/zinc/95/39/24/563953924.db2.gz KVRWRCGNEPBHFB-UHFFFAOYSA-N 0 0 307.349 3.971 50 0 DHAARN COc1ccc(N(C(=O)c2ccc(C)nc2)C(C)C)cc1F ZINC000069622149 563954017 /nfs/dbraw/zinc/95/40/17/563954017.db2.gz YHXAQJCSJGCXOT-UHFFFAOYSA-N 0 0 302.349 3.593 50 0 DHAARN O=C(c1cc2ccccc2s1)N1CCC[C@@H](n2ccnc2)C1 ZINC000069657289 563954031 /nfs/dbraw/zinc/95/40/31/563954031.db2.gz YUFPIYUOBROIKX-CQSZACIVSA-N 0 0 311.410 3.575 50 0 DHAARN CC(=O)Nc1ccc(OCc2nc(-c3cccc(C)c3)no2)cc1 ZINC000069702008 563954137 /nfs/dbraw/zinc/95/41/37/563954137.db2.gz MKRWBCFMPWSPRZ-UHFFFAOYSA-N 0 0 323.352 3.582 50 0 DHAARN Clc1cnccc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000173565888 563954332 /nfs/dbraw/zinc/95/43/32/563954332.db2.gz QWPQUIREMIBOCB-HNNXBMFYSA-N 0 0 306.793 3.509 50 0 DHAARN COc1ccc(NC(=O)N(C)[C@H](C)c2sc(C)nc2C)cc1 ZINC000069745113 563954502 /nfs/dbraw/zinc/95/45/02/563954502.db2.gz IRPFVRXAHMIYHJ-LLVKDONJSA-N 0 0 319.430 3.993 50 0 DHAARN Cn1c2ccccc2c2nnc(SCc3ccc(F)cc3)nc21 ZINC000009261919 563954529 /nfs/dbraw/zinc/95/45/29/563954529.db2.gz DXDDWPGCEITFEM-UHFFFAOYSA-N 0 0 324.384 3.948 50 0 DHAARN CCCCNc1nc2c(cnn2C)c(Nc2ccc(C)cc2)n1 ZINC000009273228 563954582 /nfs/dbraw/zinc/95/45/82/563954582.db2.gz JSKJGFJIYUTPED-UHFFFAOYSA-N 0 0 310.405 3.627 50 0 DHAARN CC1CCC(OC2CCN(C(=O)Nc3cccnc3)CC2)CC1 ZINC000069808435 563954784 /nfs/dbraw/zinc/95/47/84/563954784.db2.gz JUXVTMGUYCZZDK-UHFFFAOYSA-N 0 0 317.433 3.673 50 0 DHAARN CCCCc1nc(CN2CCC[C@@H]2c2cnn(C)c2)cs1 ZINC000069819532 563954818 /nfs/dbraw/zinc/95/48/18/563954818.db2.gz AUDUFYXPXMBEEJ-OAHLLOKOSA-N 0 0 304.463 3.556 50 0 DHAARN C[C@@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(Cl)c1 ZINC000069808416 563954842 /nfs/dbraw/zinc/95/48/42/563954842.db2.gz HSSRBVDLWLGQTB-QKVFXAPYSA-N 0 0 321.829 3.616 50 0 DHAARN Cc1oc(-c2ccco2)nc1CC(=O)N(C)c1ccccc1F ZINC000069848391 563954907 /nfs/dbraw/zinc/95/49/07/563954907.db2.gz WYCIHSULJYONJX-UHFFFAOYSA-N 0 0 314.316 3.588 50 0 DHAARN Cn1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2)cn1 ZINC000069869413 563954962 /nfs/dbraw/zinc/95/49/62/563954962.db2.gz WBOZRHDYKXNPFF-UHFFFAOYSA-N 0 0 318.446 3.632 50 0 DHAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)C1CC1 ZINC000069846202 563954975 /nfs/dbraw/zinc/95/49/75/563954975.db2.gz LHROJUSVUDFNJA-UHFFFAOYSA-N 0 0 314.414 3.562 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2c(F)cccc2N2CCCC2)s1 ZINC000069849405 563954998 /nfs/dbraw/zinc/95/49/98/563954998.db2.gz ZDJIUKPUOXWKMT-UHFFFAOYSA-N 0 0 319.405 3.752 50 0 DHAARN Cc1cccc(C(C)C)c1NC(=O)CN(CC(F)F)C1CC1 ZINC000069844381 563955013 /nfs/dbraw/zinc/95/50/13/563955013.db2.gz LSAHIRAPSYSZSB-UHFFFAOYSA-N 0 0 310.388 3.786 50 0 DHAARN CN(CCc1ccccn1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000009322728 563955115 /nfs/dbraw/zinc/95/51/15/563955115.db2.gz NTYYWUFLKSFHMW-UHFFFAOYSA-N 0 0 314.772 3.796 50 0 DHAARN CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@@H]1c1ccccc1 ZINC000009355706 563955326 /nfs/dbraw/zinc/95/53/26/563955326.db2.gz DUJCEKYLAUZIPQ-QGZVFWFLSA-N 0 0 320.396 3.926 50 0 DHAARN O=C(NCC(F)(F)F)Nc1cccc(Oc2ccncc2)c1 ZINC000069950417 563955363 /nfs/dbraw/zinc/95/53/63/563955363.db2.gz BJJLEQFVKYMSGG-UHFFFAOYSA-N 0 0 311.263 3.558 50 0 DHAARN COc1ccccc1N[C@H](C)c1nnc(-c2cccs2)o1 ZINC000009378741 563955531 /nfs/dbraw/zinc/95/55/31/563955531.db2.gz KPESEMOFJBISQD-SNVBAGLBSA-N 0 0 301.371 3.980 50 0 DHAARN Cc1cnn(C[C@H]2CCCN2C(=O)c2oc3ccccc3c2C)c1 ZINC000070013653 563955676 /nfs/dbraw/zinc/95/56/76/563955676.db2.gz YWRXWZZXLPMNLB-OAHLLOKOSA-N 0 0 323.396 3.551 50 0 DHAARN Cc1ccccc1-c1noc(C[S@@](=O)CC2CCCCC2)n1 ZINC000069973084 563955681 /nfs/dbraw/zinc/95/56/81/563955681.db2.gz MFNOFHPQNFAWLQ-JOCHJYFZSA-N 0 0 318.442 3.874 50 0 DHAARN Cc1ccc(OCC(=O)N2CCSc3ccccc32)cc1C ZINC000041155140 563955778 /nfs/dbraw/zinc/95/57/78/563955778.db2.gz VWBNNBKFJLZMBP-UHFFFAOYSA-N 0 0 313.422 3.821 50 0 DHAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(C(C)C)[nH]2)c1 ZINC000009451587 563956059 /nfs/dbraw/zinc/95/60/59/563956059.db2.gz NWFNTRHHCLVVGD-LBPRGKRZSA-N 0 0 303.431 3.908 50 0 DHAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2)n1 ZINC000009431710 563956043 /nfs/dbraw/zinc/95/60/43/563956043.db2.gz KRUGETOMILTUMK-UHFFFAOYSA-N 0 0 323.805 3.503 50 0 DHAARN COc1cc2ncnc(N[C@H](C)c3cccs3)c2cc1OC ZINC000009478017 563956154 /nfs/dbraw/zinc/95/61/54/563956154.db2.gz RNDLNYZHSNTSOK-SNVBAGLBSA-N 0 0 315.398 3.882 50 0 DHAARN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)on1 ZINC000009496876 563956334 /nfs/dbraw/zinc/95/63/34/563956334.db2.gz HMFSXKJVANMNFY-INIZCTEOSA-N 0 0 310.353 3.932 50 0 DHAARN Cc1nnc(NC(=O)c2ccc(C3SCCS3)cc2)s1 ZINC000009501256 563956441 /nfs/dbraw/zinc/95/64/41/563956441.db2.gz XNJCADKWHTZFET-UHFFFAOYSA-N 0 0 323.468 3.577 50 0 DHAARN C[C@H]1c2cccn2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009528093 563956581 /nfs/dbraw/zinc/95/65/81/563956581.db2.gz MNLOLXYZXTVZQR-JTQLQIEISA-N 0 0 307.756 3.889 50 0 DHAARN Brc1cncc(Oc2cnc3ccccc3n2)c1 ZINC000070488612 563956622 /nfs/dbraw/zinc/95/66/22/563956622.db2.gz HQSPNRBSDKAFDQ-UHFFFAOYSA-N 0 0 302.131 3.580 50 0 DHAARN Cc1ccc(C(=O)n2c(=O)oc3ccc(C(C)(C)C)cc32)cc1 ZINC000009528532 563956800 /nfs/dbraw/zinc/95/68/00/563956800.db2.gz FKKQYMXDDJHPRG-UHFFFAOYSA-N 0 0 309.365 3.889 50 0 DHAARN COc1ccc2c(c1)C[C@H](C(=O)Nc1ccccc1Cl)CO2 ZINC000009588070 563956881 /nfs/dbraw/zinc/95/68/81/563956881.db2.gz JBIGAAILEJEMEB-LBPRGKRZSA-N 0 0 317.772 3.538 50 0 DHAARN COc1ccc2c(c1)C[C@H](C(=O)Nc1cccc(Cl)c1)CO2 ZINC000009588074 563956907 /nfs/dbraw/zinc/95/69/07/563956907.db2.gz YYJPLZMKDCKEHU-LBPRGKRZSA-N 0 0 317.772 3.538 50 0 DHAARN O=C(NC[C@H](O)c1cccc2ccccc21)NC1CCCCC1 ZINC000070636277 563956958 /nfs/dbraw/zinc/95/69/58/563956958.db2.gz JIDDLXMJJBTCBL-SFHVURJKSA-N 0 0 312.413 3.505 50 0 DHAARN O=C(CCc1ccccc1)NC[C@@H](O)c1cccc2ccccc21 ZINC000070635949 563957027 /nfs/dbraw/zinc/95/70/27/563957027.db2.gz GDNZDBPFULSDLM-HXUWFJFHSA-N 0 0 319.404 3.622 50 0 DHAARN Cc1ccc(C)c(-n2ncc3c2ncnc3N2CCC(C)CC2)c1 ZINC000009627541 563957069 /nfs/dbraw/zinc/95/70/69/563957069.db2.gz DIGAJZLMRDJBMF-UHFFFAOYSA-N 0 0 321.428 3.669 50 0 DHAARN O=C(Nc1ccc2cc[nH]c2c1)C1(c2ccccc2)CCOCC1 ZINC000070666617 563957216 /nfs/dbraw/zinc/95/72/16/563957216.db2.gz WMZNSLSSGAZMHA-UHFFFAOYSA-N 0 0 320.392 3.855 50 0 biogenic DHAARN O=C(CCCc1nc(-c2cccs2)no1)Nc1ccccc1 ZINC000009699743 563957458 /nfs/dbraw/zinc/95/74/58/563957458.db2.gz VCYFBUHKAARDMQ-UHFFFAOYSA-N 0 0 313.382 3.760 50 0 DHAARN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)no1 ZINC000009741055 563957462 /nfs/dbraw/zinc/95/74/62/563957462.db2.gz HKKRCPGRTGZLPA-KRWDZBQOSA-N 0 0 306.365 3.697 50 0 DHAARN CCOc1cccc(CNC(=O)c2ccc3ncccc3c2)c1 ZINC000071121452 563957847 /nfs/dbraw/zinc/95/78/47/563957847.db2.gz AJNBWEYFRHMDIQ-UHFFFAOYSA-N 0 0 306.365 3.564 50 0 DHAARN O=C(NCc1nc2ccccc2[nH]1)c1cccc2ccccc21 ZINC000009915589 563957933 /nfs/dbraw/zinc/95/79/33/563957933.db2.gz PFQPGPKTIAIVLY-UHFFFAOYSA-N 0 0 301.349 3.646 50 0 DHAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1cccc(Cl)c1 ZINC000071279939 563957998 /nfs/dbraw/zinc/95/79/98/563957998.db2.gz XPEAJEVUAHPEIE-NSHDSACASA-N 0 0 305.765 3.534 50 0 DHAARN O=C(Nc1nc2ccccc2s1)N(Cc1ccncc1)C1CC1 ZINC000009979233 563958171 /nfs/dbraw/zinc/95/81/71/563958171.db2.gz VBHYBAISKAUKOA-UHFFFAOYSA-N 0 0 324.409 3.888 50 0 DHAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccno1 ZINC000010253842 563958294 /nfs/dbraw/zinc/95/82/94/563958294.db2.gz GTTNRUSUSAXQQM-UHFFFAOYSA-N 0 0 311.775 3.765 50 0 DHAARN O=C(c1ccc2ncsc2c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000010286794 563958485 /nfs/dbraw/zinc/95/84/85/563958485.db2.gz BQZCVTKNFOUIBT-JTQLQIEISA-N 0 0 314.332 3.711 50 0 DHAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CCOC1 ZINC000071832982 563959057 /nfs/dbraw/zinc/95/90/57/563959057.db2.gz VDTBHPHNKOFCQK-QFBILLFUSA-N 0 0 321.376 3.675 50 0 DHAARN O=C(NCCc1ccc(Br)s1)c1ccsc1 ZINC000010501939 563959491 /nfs/dbraw/zinc/95/94/91/563959491.db2.gz VTTCQKAIMAKNPF-UHFFFAOYSA-N 0 0 316.245 3.545 50 0 DHAARN Cc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000010496432 563959505 /nfs/dbraw/zinc/95/95/05/563959505.db2.gz HJZGOOWNEGRQSW-UHFFFAOYSA-N 0 0 301.405 3.967 50 0 DHAARN O=C(c1ccccc1)N1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000033669469 563960273 /nfs/dbraw/zinc/96/02/73/563960273.db2.gz PNXNXIYQZWURQC-SDNWHVSQSA-N 0 0 309.346 3.563 50 0 DHAARN Nc1nccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)n1 ZINC000390822258 563960496 /nfs/dbraw/zinc/96/04/96/563960496.db2.gz KPSMCRXKKWHGPP-UHFFFAOYSA-N 0 0 316.286 3.807 50 0 DHAARN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCc2cscn2)cc1 ZINC000076996369 563960805 /nfs/dbraw/zinc/96/08/05/563960805.db2.gz DNHCLYRTCLDGSS-DLBZAZTESA-N 0 0 314.454 3.729 50 0 DHAARN Oc1ccc(F)cc1-c1ccnc2cc(-c3ccccc3)nn21 ZINC000021729247 563961581 /nfs/dbraw/zinc/96/15/81/563961581.db2.gz VBJBWJFCLZUMSI-UHFFFAOYSA-N 0 0 305.312 3.908 50 0 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314.454 3.884 50 0 DHAARN C[C@@]1(c2nc(-c3ccccc3)nn2-c2ccccn2)CCCCO1 ZINC000063882264 568413206 /nfs/dbraw/zinc/41/32/06/568413206.db2.gz FSYRALZWZOSRRG-IBGZPJMESA-N 0 0 320.396 3.745 50 0 DHAARN C[C@@H](Oc1cccnc1NCc1ccnn1C)c1ccccc1 ZINC000097094793 568413580 /nfs/dbraw/zinc/41/35/80/568413580.db2.gz GZHSUEMRLKMFAD-CQSZACIVSA-N 0 0 308.385 3.567 50 0 DHAARN Fc1ccc(C2=NC(=S)N[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000051329840 568415015 /nfs/dbraw/zinc/41/50/15/568415015.db2.gz FJTBHCRDQBCHIF-CQSZACIVSA-N 0 0 302.349 3.525 50 0 DHAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCCC2 ZINC000194327471 568415127 /nfs/dbraw/zinc/41/51/27/568415127.db2.gz SSUMCTRJPSHRQK-QGZVFWFLSA-N 0 0 309.413 3.574 50 0 DHAARN O=C(/C=C/c1cccs1)NC[C@H]1CCCN1c1ccccc1 ZINC000211115894 568415268 /nfs/dbraw/zinc/41/52/68/568415268.db2.gz CFZYBXFCWDIJIK-SIFUEBAJSA-N 0 0 312.438 3.547 50 0 DHAARN N#Cc1cc(-c2ccnc(Cl)c2)ccc1OC1CCOCC1 ZINC000146533717 568415930 /nfs/dbraw/zinc/41/59/30/568415930.db2.gz DIJFPHXQHQVDKO-UHFFFAOYSA-N 0 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O=C([O-])c1cc(Cl)ccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072165869 191064641 /nfs/dbraw/zinc/06/46/41/191064641.db2.gz DVOCCJMIJKGRJH-SWLSCSKDSA-N 0 0 323.820 3.682 50 0 DHAARN CC1(C)[C@H](C(=O)Oc2ccc(C=O)cc2)[C@H]1C=C(Cl)Cl ZINC000072193605 191073404 /nfs/dbraw/zinc/07/34/04/191073404.db2.gz QTRWGNPDTKBGGP-YPMHNXCESA-N 0 0 313.180 3.996 50 0 DHAARN Cc1csc([C@H]2CCCCN2C(=O)CCc2ccco2)n1 ZINC000072232493 191079316 /nfs/dbraw/zinc/07/93/16/191079316.db2.gz KGJDQNRULLJVIF-CQSZACIVSA-N 0 0 304.415 3.731 50 0 DHAARN O=C(Nc1ccccc1)c1cc(-c2cc(Cl)ccc2O)[nH]n1 ZINC000072238575 191081786 /nfs/dbraw/zinc/08/17/86/191081786.db2.gz LXFCQNOATFCDHS-UHFFFAOYSA-N 0 0 313.744 3.688 50 0 DHAARN Clc1cc(Cl)c(I)c2c1OCC2 ZINC000072233711 191079564 /nfs/dbraw/zinc/07/95/64/191079564.db2.gz LXHPFWHWMMNEAI-UHFFFAOYSA-N 0 0 314.937 3.533 50 0 DHAARN O=C(NC1CCCCC1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000072243370 191085685 /nfs/dbraw/zinc/08/56/85/191085685.db2.gz LUNKSXNCAFDGHP-UHFFFAOYSA-N 0 0 311.307 3.644 50 0 DHAARN CCCn1nc(C)cc1NC(=O)Cn1c(C)cc2ccccc21 ZINC000072243196 191086022 /nfs/dbraw/zinc/08/60/22/191086022.db2.gz YSVFIAHAWYNXOW-UHFFFAOYSA-N 0 0 310.401 3.503 50 0 DHAARN Cc1cc2ccccc2n1CC(=O)NCCc1ccc(C)cc1 ZINC000072243199 191086024 /nfs/dbraw/zinc/08/60/24/191086024.db2.gz VQUXLSWQUXJKFW-UHFFFAOYSA-N 0 0 306.409 3.617 50 0 DHAARN Cc1ccc(Oc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000072260106 191088179 /nfs/dbraw/zinc/08/81/79/191088179.db2.gz UEQLFAVTPXUDPF-ZIAGYGMSSA-N 0 0 315.369 3.630 50 0 DHAARN Cc1ccc(Oc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC000072260107 191088738 /nfs/dbraw/zinc/08/87/38/191088738.db2.gz UEQLFAVTPXUDPF-KBPBESRZSA-N 0 0 315.369 3.630 50 0 DHAARN CC(C)c1nc([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)no1 ZINC000072270321 191092440 /nfs/dbraw/zinc/09/24/40/191092440.db2.gz SSCXGOTUZSFKAM-OAHLLOKOSA-N 0 0 317.433 3.790 50 0 DHAARN C[C@@H]1CCc2c(C(=O)N(C[C@H]3CCOC3)C3CC3)csc2C1 ZINC000084700241 192457946 /nfs/dbraw/zinc/45/79/46/192457946.db2.gz ICQFFOTVMGMZNU-CHWSQXEVSA-N 0 0 319.470 3.514 50 0 DHAARN COc1ccc(-c2csc(CNC(=O)CC(C)(C)C)n2)cc1 ZINC000072264936 191089779 /nfs/dbraw/zinc/08/97/79/191089779.db2.gz GNVBNKVEJGMARV-UHFFFAOYSA-N 0 0 318.442 3.871 50 0 DHAARN CCc1csc([C@@H]2CCCN(C(=O)c3occc3C)C2)n1 ZINC000072282154 191103040 /nfs/dbraw/zinc/10/30/40/191103040.db2.gz RCDOLHZIQAPNFJ-GFCCVEGCSA-N 0 0 304.415 3.627 50 0 DHAARN Cc1csc([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 ZINC000072283300 191103474 /nfs/dbraw/zinc/10/34/74/191103474.db2.gz YCRFDIJOZHCXDE-CYBMUJFWSA-N 0 0 319.430 3.930 50 0 DHAARN CCOCCC1(C(=O)Nc2ccc(OC(F)F)cc2)CCC1 ZINC000084801225 192467802 /nfs/dbraw/zinc/46/78/02/192467802.db2.gz XHKXAJKZVRKIGH-UHFFFAOYSA-N 0 0 313.344 3.823 50 0 DHAARN Cc1ccc2oc(N3CCC[C@H]3c3noc(C(C)C)n3)nc2c1 ZINC000072285223 191105419 /nfs/dbraw/zinc/10/54/19/191105419.db2.gz IPRPUGHFTQQFMO-ZDUSSCGKSA-N 0 0 312.373 3.984 50 0 DHAARN CC(C)(NC(=O)c1ccc(F)c(Cl)c1F)c1nccs1 ZINC000186012273 186231627 /nfs/dbraw/zinc/23/16/27/186231627.db2.gz LSJSYWIMAGYCPU-UHFFFAOYSA-N 0 0 316.760 3.740 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC000072300976 191115752 /nfs/dbraw/zinc/11/57/52/191115752.db2.gz ACLWUURNIPPVAS-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2cc[nH]c2)[nH]n1 ZINC000225586268 186280348 /nfs/dbraw/zinc/28/03/48/186280348.db2.gz KHDGSBUKTXMOFV-UHFFFAOYSA-N 0 0 321.167 3.964 50 0 DHAARN Cc1cc2c(ncnc2SCCO[C@@H]2CCCCO2)s1 ZINC000225640095 186286320 /nfs/dbraw/zinc/28/63/20/186286320.db2.gz IHYLDMAXIYYWSC-GFCCVEGCSA-N 0 0 310.444 3.635 50 0 DHAARN O=C(NCc1ccc(Oc2nccs2)cc1)NC1CCCC1 ZINC000225647876 186286683 /nfs/dbraw/zinc/28/66/83/186286683.db2.gz KHOLNIGBNAKLKQ-UHFFFAOYSA-N 0 0 317.414 3.677 50 0 DHAARN CSc1cccc(NC(=O)NCC(F)(F)C(F)F)c1C ZINC000253392602 186303121 /nfs/dbraw/zinc/30/31/21/186303121.db2.gz PKRGHHFQSUWPPW-UHFFFAOYSA-N 0 0 310.316 3.739 50 0 DHAARN Cc1ccc(C)n1CCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000253410379 186308960 /nfs/dbraw/zinc/30/89/60/186308960.db2.gz NGKHRXFKRHEQFK-UHFFFAOYSA-N 0 0 323.440 3.725 50 0 DHAARN CC[C@H](O)CCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000072303872 191116387 /nfs/dbraw/zinc/11/63/87/191116387.db2.gz OTLIIKNGDKMRAL-JTQLQIEISA-N 0 0 305.205 3.666 50 0 DHAARN Cc1nc2[nH]ccc2c(Nc2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000072307806 191118519 /nfs/dbraw/zinc/11/85/19/191118519.db2.gz LOZRAYTYXUPYMD-UHFFFAOYSA-N 0 0 323.400 3.995 50 0 DHAARN CC(C)c1nc2ccc(NC(=O)N[C@H]3CCCOC3)cc2s1 ZINC000171587101 197947357 /nfs/dbraw/zinc/94/73/57/197947357.db2.gz BFMCDSQXJKMCLQ-LBPRGKRZSA-N 0 0 319.430 3.720 50 0 DHAARN O=S(=O)(c1ccccc1)c1cnc2cc(F)ccc2c1Cl ZINC000072329789 191124217 /nfs/dbraw/zinc/12/42/17/191124217.db2.gz GOJRQRYMEILKGJ-UHFFFAOYSA-N 0 0 321.760 3.860 50 0 DHAARN Cc1ccc(-c2n[nH]cc2C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000072328964 191124250 /nfs/dbraw/zinc/12/42/50/191124250.db2.gz DCYFZXLVLLSGNN-GOSISDBHSA-N 0 0 317.392 3.802 50 0 DHAARN O=C(NCc1ccccc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328839 191124445 /nfs/dbraw/zinc/12/44/45/191124445.db2.gz OMKLIPRIVUGZPT-UHFFFAOYSA-N 0 0 311.772 3.660 50 0 DHAARN COc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1F ZINC000072331700 191125034 /nfs/dbraw/zinc/12/50/34/191125034.db2.gz FNEFSRUJLCOEQG-UHFFFAOYSA-N 0 0 311.715 3.557 50 0 DHAARN CCOc1cccc(CNC(=O)c2ccc(Cl)cc2OC)c1 ZINC000072331749 191125471 /nfs/dbraw/zinc/12/54/71/191125471.db2.gz BDQASPCVDTUVNA-UHFFFAOYSA-N 0 0 319.788 3.677 50 0 DHAARN CC(=O)Nc1cc(C(F)(F)F)nn1-c1ccccc1Cl ZINC000072334124 191126016 /nfs/dbraw/zinc/12/60/16/191126016.db2.gz NAPBSKAJVMDXQL-UHFFFAOYSA-N 0 0 303.671 3.503 50 0 DHAARN O=C(c1cc(-c2ccco2)on1)N1CC2(CC2)c2ccccc21 ZINC000172576583 198118095 /nfs/dbraw/zinc/11/80/95/198118095.db2.gz FFYWUHDASSJXSX-UHFFFAOYSA-N 0 0 306.321 3.627 50 0 DHAARN CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)OC12CCCC2 ZINC000000039271 180675575 /nfs/dbraw/zinc/67/55/75/180675575.db2.gz WDEOKBLMPZREDG-UHFFFAOYSA-N 0 0 313.184 3.804 50 0 biogenic DHAARN COc1ccc2cc(NC(=O)c3sc(C)nc3C)cnc2c1 ZINC000072403337 191150856 /nfs/dbraw/zinc/15/08/56/191150856.db2.gz XZCYVPPCBVZLDR-UHFFFAOYSA-N 0 0 313.382 3.569 50 0 DHAARN COC(=O)c1c2c(sc1NC(=O)c1ccoc1C)CCCC2 ZINC000000091100 180689167 /nfs/dbraw/zinc/68/91/67/180689167.db2.gz OECXAGGAYRRUIC-UHFFFAOYSA-N 0 0 319.382 3.567 50 0 DHAARN COc1ccc(C2(C(=O)N3CCCCC3)CCCC2)cc1OC ZINC000000094637 180690642 /nfs/dbraw/zinc/69/06/42/180690642.db2.gz VNEIRXOFRKEGAA-UHFFFAOYSA-N 0 0 317.429 3.528 50 0 DHAARN CCOC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CCCC3 ZINC000000097795 180691254 /nfs/dbraw/zinc/69/12/54/180691254.db2.gz HTEKKKVZUFXISX-SECBINFHSA-N 0 0 322.455 3.614 50 0 DHAARN O=C1CS[C@H](c2cccnc2)N1CCc1ccc(Cl)cc1 ZINC000000100353 180692404 /nfs/dbraw/zinc/69/24/04/180692404.db2.gz JBWLIFNSJWUITC-MRXNPFEDSA-N 0 0 318.829 3.552 50 0 DHAARN Cc1ccc(-c2cc(C(=O)NCc3cccc(F)c3)no2)cc1 ZINC000072427593 191161986 /nfs/dbraw/zinc/16/19/86/191161986.db2.gz FXVSEZIJCWLUBL-UHFFFAOYSA-N 0 0 310.328 3.719 50 0 DHAARN Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)nn1 ZINC000072437392 191166560 /nfs/dbraw/zinc/16/65/60/191166560.db2.gz LVZGGDPYOUEHFT-AWEZNQCLSA-N 0 0 311.385 3.592 50 0 DHAARN Cc1ccc(Oc2ccc(C(=O)NC3CCCCC3)cc2)nn1 ZINC000072437793 191166788 /nfs/dbraw/zinc/16/67/88/191166788.db2.gz JIHDYPCMZWAJNM-UHFFFAOYSA-N 0 0 311.385 3.640 50 0 DHAARN CC(C)(O)CCc1cccc(C(=O)N2CCCCCCC2)c1 ZINC000072440831 191167699 /nfs/dbraw/zinc/16/76/99/191167699.db2.gz STSDITJABQEBIX-UHFFFAOYSA-N 0 0 303.446 3.796 50 0 DHAARN COCC1(CNc2cc(C(C)C)nc3cc(C)nn32)CCCC1 ZINC000072479785 191181665 /nfs/dbraw/zinc/18/16/65/191181665.db2.gz NHJBQZAYGVRLDO-UHFFFAOYSA-N 0 0 316.449 3.780 50 0 DHAARN CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000000146053 180707697 /nfs/dbraw/zinc/70/76/97/180707697.db2.gz QQIMQJHQYUYJAM-UHFFFAOYSA-N 0 0 303.745 3.769 50 0 DHAARN CSCc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)o1 ZINC000072463709 191174799 /nfs/dbraw/zinc/17/47/99/191174799.db2.gz XFVHNZBGMYSSNF-AWEZNQCLSA-N 0 0 302.399 3.515 50 0 DHAARN CC[C@H](Nc1cc(C)nc2c(C)c(C)nn21)c1ncccc1C ZINC000072479430 191179425 /nfs/dbraw/zinc/17/94/25/191179425.db2.gz UJSIVAAOVRZSCP-HNNXBMFYSA-N 0 0 309.417 3.921 50 0 DHAARN Cc1nc(CN2CCc3[nH]c4c(cccc4Cl)c3C2)co1 ZINC000072480143 191181255 /nfs/dbraw/zinc/18/12/55/191181255.db2.gz GHKTUKPUYKZSBM-UHFFFAOYSA-N 0 0 301.777 3.676 50 0 DHAARN O=S(=O)(c1ccccc1)c1ccc(N2CCCCCC2)cc1 ZINC000000198324 180723159 /nfs/dbraw/zinc/72/31/59/180723159.db2.gz UURYGQBHOAMMCP-UHFFFAOYSA-N 0 0 315.438 3.900 50 0 DHAARN CCC(CC)c1nnc(NC(=O)CSC(C)(C)C)s1 ZINC000072501702 191183452 /nfs/dbraw/zinc/18/34/52/191183452.db2.gz NWHRZBFQEXXZMF-UHFFFAOYSA-N 0 0 301.481 3.912 50 0 DHAARN COc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1 ZINC000000226341 180732252 /nfs/dbraw/zinc/73/22/52/180732252.db2.gz VAPBARLWVFKEPA-UHFFFAOYSA-N 0 0 323.849 3.517 50 0 DHAARN Cc1ccc(CNC(=O)CCc2cn(C)c3ccccc23)cc1 ZINC000000218251 180730154 /nfs/dbraw/zinc/73/01/54/180730154.db2.gz JAOPUWPZWYDKEY-UHFFFAOYSA-N 0 0 306.409 3.736 50 0 DHAARN O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccccc2)s1 ZINC000000272102 180744675 /nfs/dbraw/zinc/74/46/75/180744675.db2.gz KZCAUHSCFJSIJS-CMDGGOBGSA-N 0 0 310.378 3.979 50 0 DHAARN O=C1c2cccc3cccc(c32)C(=O)N1OCc1ccccc1 ZINC000000276121 180745001 /nfs/dbraw/zinc/74/50/01/180745001.db2.gz UIIXOCCCNFTDKB-UHFFFAOYSA-N 0 0 303.317 3.568 50 0 DHAARN Brc1ccc(OCc2cn3ccccc3n2)cc1 ZINC000000276111 180745048 /nfs/dbraw/zinc/74/50/48/180745048.db2.gz CTVPPZKNPKHWRR-UHFFFAOYSA-N 0 0 303.159 3.676 50 0 DHAARN CCn1c(=S)n(CN2CCCCCC2)nc1-c1ccccc1 ZINC000000274797 180745310 /nfs/dbraw/zinc/74/53/10/180745310.db2.gz BHGSIVLYGKWVJK-UHFFFAOYSA-N 0 0 316.474 3.934 50 0 DHAARN COc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000000299045 180751543 /nfs/dbraw/zinc/75/15/43/180751543.db2.gz KJBDNSBCXSIQMA-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ccccn1 ZINC000000315937 180757547 /nfs/dbraw/zinc/75/75/47/180757547.db2.gz ODIQNYPEBUGOIO-UHFFFAOYSA-N 0 0 302.333 3.569 50 0 DHAARN CSCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000072708008 191217913 /nfs/dbraw/zinc/21/79/13/191217913.db2.gz OLOCJQLDUPAKJE-UHFFFAOYSA-N 0 0 313.728 3.583 50 0 DHAARN COc1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000000318394 180758683 /nfs/dbraw/zinc/75/86/83/180758683.db2.gz VUVLYNIPXVCFHG-IZZDOVSWSA-N 0 0 315.800 3.721 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000000369672 180769435 /nfs/dbraw/zinc/76/94/35/180769435.db2.gz QRENZFAGLOQHRS-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCCCC1 ZINC000000382031 180772218 /nfs/dbraw/zinc/77/22/18/180772218.db2.gz QQWTVRICHAMNEP-UHFFFAOYSA-N 0 0 314.429 3.832 50 0 DHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 ZINC000000350753 180764235 /nfs/dbraw/zinc/76/42/35/180764235.db2.gz YZGHTARWCKZLBU-INIZCTEOSA-N 0 0 322.408 3.603 50 0 DHAARN Cc1cc(C)n(C(=O)CCC(=O)Nc2cccc(Cl)c2C)n1 ZINC000000357482 180766024 /nfs/dbraw/zinc/76/60/24/180766024.db2.gz FRTIWBWUAWBCCT-UHFFFAOYSA-N 0 0 319.792 3.521 50 0 DHAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccco3)cc21 ZINC000000407160 180778433 /nfs/dbraw/zinc/77/84/33/180778433.db2.gz BMVXFPUZYMJBMG-UHFFFAOYSA-N 0 0 314.293 3.730 50 0 DHAARN CC(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000000406578 180778479 /nfs/dbraw/zinc/77/84/79/180778479.db2.gz PRHFTISODISOTF-UHFFFAOYSA-N 0 0 303.206 3.593 50 0 aggregator DHAARN Cc1cc(NC(=O)COc2ccccc2)ccc1Br ZINC000000388984 180775209 /nfs/dbraw/zinc/77/52/09/180775209.db2.gz RGGNSZGCMKIYCB-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN CCN(CC)c1ccc([C@H](O)c2nc3ccccc3n2CC)cc1 ZINC000000432215 180789025 /nfs/dbraw/zinc/78/90/25/180789025.db2.gz WJQUFAWGDIGELJ-IBGZPJMESA-N 0 0 323.440 3.984 50 0 DHAARN COC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1ccc(C)o1 ZINC000000434020 180789779 /nfs/dbraw/zinc/78/97/79/180789779.db2.gz MAPWVHKBGBOJDF-BQYQJAHWSA-N 0 0 319.382 3.705 50 0 DHAARN CCc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O ZINC000000449360 180794655 /nfs/dbraw/zinc/79/46/55/180794655.db2.gz OGXXCAKPMQLCMD-UHFFFAOYSA-N 0 0 322.360 3.926 50 0 biogenic DHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)C1 ZINC000000452062 180795614 /nfs/dbraw/zinc/79/56/14/180795614.db2.gz LXIDOQKVJIFKJY-GFCCVEGCSA-N 0 0 323.845 3.914 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 ZINC000000470313 180801220 /nfs/dbraw/zinc/80/12/20/180801220.db2.gz JZLAJQKVYTYDEY-CQSZACIVSA-N 0 0 310.397 3.776 50 0 DHAARN Clc1cccc(-c2nn3c(nnc3-c3cccnc3)s2)c1 ZINC000000526970 180813387 /nfs/dbraw/zinc/81/33/87/180813387.db2.gz AWYNYFNDXNGDOI-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN CC(=O)CSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 ZINC000000537195 180816903 /nfs/dbraw/zinc/81/69/03/180816903.db2.gz XQUAVUUMEGQGPG-UHFFFAOYSA-N 0 0 322.455 3.962 50 0 DHAARN CCC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000000536029 180816970 /nfs/dbraw/zinc/81/69/70/180816970.db2.gz JKKKDGAZMUPCMA-MRXNPFEDSA-N 0 0 311.360 3.973 50 0 DHAARN CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3 ZINC000000535804 180816984 /nfs/dbraw/zinc/81/69/84/180816984.db2.gz SSFGXJUQSGGKBG-HXUWFJFHSA-N 0 0 308.425 3.861 50 0 DHAARN C[C@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000000572462 180824541 /nfs/dbraw/zinc/82/45/41/180824541.db2.gz PMYGKQBDOSBBLU-LBPRGKRZSA-N 0 0 316.788 3.822 50 0 DHAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000000613161 180829130 /nfs/dbraw/zinc/82/91/30/180829130.db2.gz MMWTWRVELKREIG-QGZVFWFLSA-N 0 0 300.308 3.662 50 0 DHAARN Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000000578808 180825668 /nfs/dbraw/zinc/82/56/68/180825668.db2.gz VEGCSPAUOSUYPY-UHFFFAOYSA-N 0 0 306.365 3.709 50 0 DHAARN Cc1nn(C)c(C)c1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000000611289 180828539 /nfs/dbraw/zinc/82/85/39/180828539.db2.gz LXIDCIQRELFJDV-UHFFFAOYSA-N 0 0 312.801 3.638 50 0 DHAARN COc1ccc(-n2c(=O)c3c(C)c(C)sc3[nH]c2=S)cc1 ZINC000000803246 180833440 /nfs/dbraw/zinc/83/34/40/180833440.db2.gz FEUAONLXNCNQGO-UHFFFAOYSA-N 0 0 318.423 3.735 50 0 DHAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c2oc(=O)cc(C)c12 ZINC000000908777 180837358 /nfs/dbraw/zinc/83/73/58/180837358.db2.gz OBIFMJYYOHXMRF-UHFFFAOYSA-N 0 0 309.152 3.902 50 0 DHAARN Cc1cc(=O)[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 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/nfs/dbraw/zinc/82/83/13/182828313.db2.gz MCZJJGDCGSHHTK-MRXNPFEDSA-N 0 0 321.380 3.647 50 0 DHAARN Cc1cc(C(=O)NCc2cc(-c3cccs3)on2)c(C)o1 ZINC000036662389 182834055 /nfs/dbraw/zinc/83/40/55/182834055.db2.gz HGODBFXECAJRDO-UHFFFAOYSA-N 0 0 302.355 3.543 50 0 DHAARN Cc1nc(C2(NC(=O)c3cccc(Cl)c3)CCCCC2)no1 ZINC000036660212 182834292 /nfs/dbraw/zinc/83/42/92/182834292.db2.gz IOXGOVXKHGTAHA-UHFFFAOYSA-N 0 0 319.792 3.621 50 0 DHAARN COc1cccc(OC)c1OCc1coc(-c2ccccc2)n1 ZINC000036688803 182835642 /nfs/dbraw/zinc/83/56/42/182835642.db2.gz MEDCQOYJKVJVAO-UHFFFAOYSA-N 0 0 311.337 3.938 50 0 DHAARN Cc1cccc(C)c1OCC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000037149128 182869527 /nfs/dbraw/zinc/86/95/27/182869527.db2.gz BIXHFJIAZGGUMY-SFHVURJKSA-N 0 0 309.409 3.828 50 0 DHAARN OC[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000038781877 183009586 /nfs/dbraw/zinc/00/95/86/183009586.db2.gz YAFYNSAZZKZZSR-BBQAJUCSSA-N 0 0 315.416 3.655 50 0 DHAARN CCCSc1nnc(-c2c(Cl)c(CC)nn2C)s1 ZINC000038958256 183013590 /nfs/dbraw/zinc/01/35/90/183013590.db2.gz CIJHSNYEVCZKLQ-UHFFFAOYSA-N 0 0 302.856 3.657 50 0 DHAARN O=C(NCCOc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000038901079 183012861 /nfs/dbraw/zinc/01/28/61/183012861.db2.gz YYLZCLVANCDOEO-UHFFFAOYSA-N 0 0 324.302 3.906 50 0 DHAARN COC(=O)c1cc2c(ccc(OC)c2OCc2ccccc2)[nH]1 ZINC000038243100 182996009 /nfs/dbraw/zinc/99/60/09/182996009.db2.gz RDRSQRYMJIRHQZ-UHFFFAOYSA-N 0 0 311.337 3.542 50 0 DHAARN COc1cc(/C=C/C(=O)N(C)C2CCCC2)cc(Cl)c1OC ZINC000040013191 183028415 /nfs/dbraw/zinc/02/84/15/183028415.db2.gz MJJHBLIYRMFQAY-CMDGGOBGSA-N 0 0 323.820 3.771 50 0 DHAARN COc1cccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1 ZINC000040074770 183031211 /nfs/dbraw/zinc/03/12/11/183031211.db2.gz UYWJAHZBHNDOID-UHFFFAOYSA-N 0 0 306.365 3.667 50 0 DHAARN Cc1ccc(Oc2cc(Cl)nc(N)n2)c(Br)c1 ZINC000040051227 183029900 /nfs/dbraw/zinc/02/99/00/183029900.db2.gz WDVJGQXOVMARJB-UHFFFAOYSA-N 0 0 314.570 3.575 50 0 DHAARN Cc1nnc(NC(=O)C2(c3cccc(Cl)c3)CCC2)s1 ZINC000040050442 183030179 /nfs/dbraw/zinc/03/01/79/183030179.db2.gz WUZIADHWJYPSLI-UHFFFAOYSA-N 0 0 307.806 3.560 50 0 DHAARN CCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccccc1 ZINC000040068057 183030716 /nfs/dbraw/zinc/03/07/16/183030716.db2.gz FOIQXVHCCUSGKR-UHFFFAOYSA-N 0 0 321.380 3.696 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc3cn[nH]c32)cc1 ZINC000039559234 183021292 /nfs/dbraw/zinc/02/12/92/183021292.db2.gz ULRSZHOSXQRVGS-KRWDZBQOSA-N 0 0 321.380 3.549 50 0 DHAARN C[C@@H]1C[C@H](C)n2nccc2N1C(=O)CCc1ccccc1Cl ZINC000040146283 183040112 /nfs/dbraw/zinc/04/01/12/183040112.db2.gz HTSXPEJELGPKHI-OLZOCXBDSA-N 0 0 317.820 3.856 50 0 DHAARN O=C(NCc1ccoc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000040145356 183040209 /nfs/dbraw/zinc/04/02/09/183040209.db2.gz AOJZTPBWPRAYEC-CYBMUJFWSA-N 0 0 322.817 3.969 50 0 DHAARN CCCCC[C@@H](C)NC(=O)c1sc(-c2ncccn2)nc1C ZINC000040146501 183040222 /nfs/dbraw/zinc/04/02/22/183040222.db2.gz DLWXEWBQSHFGDM-LLVKDONJSA-N 0 0 318.446 3.607 50 0 DHAARN COCCN(Cc1ccccc1)C(=O)c1ccc2ccccc2n1 ZINC000040160481 183041329 /nfs/dbraw/zinc/04/13/29/183041329.db2.gz LGCBZAPJCRMGCK-UHFFFAOYSA-N 0 0 320.392 3.524 50 0 DHAARN COCCN(Cc1ccccc1)C(=O)c1ccccc1Cl ZINC000040160480 183041517 /nfs/dbraw/zinc/04/15/17/183041517.db2.gz FXSHORVRHAOLGX-UHFFFAOYSA-N 0 0 303.789 3.629 50 0 DHAARN CCOCc1ccccc1CNC(=O)c1ccccc1Cl ZINC000040072071 183031270 /nfs/dbraw/zinc/03/12/70/183031270.db2.gz YBTIMBJFEHIXFA-UHFFFAOYSA-N 0 0 303.789 3.807 50 0 DHAARN Cc1cccc(C(=O)NCc2cccnc2OC2CCCC2)c1 ZINC000040089457 183033079 /nfs/dbraw/zinc/03/30/79/183033079.db2.gz NSQIMLCUNXGQPM-UHFFFAOYSA-N 0 0 310.397 3.641 50 0 DHAARN Cc1cc(C(=O)N(C)c2ccccc2)c(C)n1-c1nccs1 ZINC000040090982 183033354 /nfs/dbraw/zinc/03/33/54/183033354.db2.gz ILEZPAGJRGOYNJ-UHFFFAOYSA-N 0 0 311.410 3.827 50 0 DHAARN COc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000040097651 183034072 /nfs/dbraw/zinc/03/40/72/183034072.db2.gz KJLKDBWPHXIIBG-UHFFFAOYSA-N 0 0 320.776 3.679 50 0 DHAARN CCc1cccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1 ZINC000040098802 183034680 /nfs/dbraw/zinc/03/46/80/183034680.db2.gz ZFWXSPYLCKOKPR-INIZCTEOSA-N 0 0 318.804 3.758 50 0 DHAARN CCCCN(CCCC)C(=O)Nc1ccccc1-n1cncn1 ZINC000040104738 183035314 /nfs/dbraw/zinc/03/53/14/183035314.db2.gz PXZYIUVSQCVFPF-UHFFFAOYSA-N 0 0 315.421 3.701 50 0 DHAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2scnc2C)cc1 ZINC000040107407 183036094 /nfs/dbraw/zinc/03/60/94/183036094.db2.gz WBDLZEWKGOZNES-HNNXBMFYSA-N 0 0 316.426 3.828 50 0 DHAARN CN(Cc1ccccc1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000040120524 183037440 /nfs/dbraw/zinc/03/74/40/183037440.db2.gz YPAOPSZEGOGQRW-UHFFFAOYSA-N 0 0 306.312 3.952 50 0 DHAARN COc1ccc(C(=O)NCC2CCCCC2)cc1OC(F)F ZINC000040120196 183037667 /nfs/dbraw/zinc/03/76/67/183037667.db2.gz NZQAJWOLPNWYIG-UHFFFAOYSA-N 0 0 313.344 3.607 50 0 DHAARN Cc1ccc(CNC(=O)CCc2nc3ccccc3s2)s1 ZINC000040122222 183038473 /nfs/dbraw/zinc/03/84/73/183038473.db2.gz NVQFVNYFZLGSOE-UHFFFAOYSA-N 0 0 316.451 3.915 50 0 DHAARN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NC(C)C ZINC000040127985 183038563 /nfs/dbraw/zinc/03/85/63/183038563.db2.gz FPCHVRILBXBYRQ-UHFFFAOYSA-N 0 0 319.836 3.518 50 0 DHAARN CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1cccs1 ZINC000040121694 183038630 /nfs/dbraw/zinc/03/86/30/183038630.db2.gz CXVRZOGUURGYLH-ZDUSSCGKSA-N 0 0 303.427 3.955 50 0 DHAARN Cc1nc(NC(=O)COCc2ccccc2Cl)sc1C ZINC000040141214 183039036 /nfs/dbraw/zinc/03/90/36/183039036.db2.gz YAHKQOUVODHJPB-UHFFFAOYSA-N 0 0 310.806 3.569 50 0 DHAARN CC(C)c1nnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000040141597 183039538 /nfs/dbraw/zinc/03/95/38/183039538.db2.gz QOCSLRVETGCXKW-DTWKUNHWSA-N 0 0 321.368 3.969 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000040135198 183039543 /nfs/dbraw/zinc/03/95/43/183039543.db2.gz RTBWVWHQKHKTTF-CHWSQXEVSA-N 0 0 303.450 3.634 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1NC(C)=O ZINC000040455754 183068501 /nfs/dbraw/zinc/06/85/01/183068501.db2.gz AEISMPPHPWJOHT-UHFFFAOYSA-N 0 0 312.369 3.523 50 0 DHAARN Cc1nc(NC2CCCC2)sc1C(=O)NCc1ccccc1 ZINC000040267145 183049964 /nfs/dbraw/zinc/04/99/64/183049964.db2.gz QHFLBMMMYHYWGC-UHFFFAOYSA-N 0 0 315.442 3.736 50 0 DHAARN Cc1ccc(F)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478362 183075660 /nfs/dbraw/zinc/07/56/60/183075660.db2.gz KJLWAVPUTABGFZ-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)ccc1F ZINC000040478366 183075773 /nfs/dbraw/zinc/07/57/73/183075773.db2.gz AJFJNMDZTGQUIE-UHFFFAOYSA-N 0 0 313.307 3.916 50 0 DHAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)C1CCCC1 ZINC000040487651 183078495 /nfs/dbraw/zinc/07/84/95/183078495.db2.gz IEEVNYPKCRFAAL-UHFFFAOYSA-N 0 0 315.335 3.572 50 0 DHAARN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nc(C(C)(C)C)no1 ZINC000040494000 183080373 /nfs/dbraw/zinc/08/03/73/183080373.db2.gz YTQAJKXGCPAAFP-LLVKDONJSA-N 0 0 317.389 3.702 50 0 DHAARN CCOc1ccccc1-c1nnc(SCc2cccnc2)o1 ZINC000040496525 183081355 /nfs/dbraw/zinc/08/13/55/183081355.db2.gz XPFHKWZYVIUNMB-UHFFFAOYSA-N 0 0 313.382 3.823 50 0 DHAARN Cc1ccc(CS(=O)(=O)Cc2nc3ccccc3s2)cc1 ZINC000040498755 183082936 /nfs/dbraw/zinc/08/29/36/183082936.db2.gz ZKBARAHGYPKIHA-UHFFFAOYSA-N 0 0 317.435 3.720 50 0 DHAARN O=C(Nc1cccc(NC(=O)[C@@H]2CC=CCC2)c1)c1cccnc1 ZINC000040509630 183086169 /nfs/dbraw/zinc/08/61/69/183086169.db2.gz YSZGRNXFOVWPHY-CQSZACIVSA-N 0 0 321.380 3.629 50 0 DHAARN CC(C)c1noc(CCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000040515660 183088512 /nfs/dbraw/zinc/08/85/12/183088512.db2.gz LYAGBDRLVKNBIM-UHFFFAOYSA-N 0 0 307.781 3.808 50 0 DHAARN COc1cc([C@@H](C)NC(=O)CC(F)(F)F)ccc1OC(C)C ZINC000040516343 183089475 /nfs/dbraw/zinc/08/94/75/183089475.db2.gz UGWRARQLKXPDQG-SNVBAGLBSA-N 0 0 319.323 3.612 50 0 DHAARN Cc1cc(C)c(NC(=O)NC[C@@H](O)c2ccccc2F)c(C)c1 ZINC000040525456 183092112 /nfs/dbraw/zinc/09/21/12/183092112.db2.gz SKGISKQIRFOPQS-MRXNPFEDSA-N 0 0 316.376 3.606 50 0 DHAARN Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000040534468 183094982 /nfs/dbraw/zinc/09/49/82/183094982.db2.gz JPOLYKHXJKEGQZ-OAHLLOKOSA-N 0 0 304.415 3.649 50 0 DHAARN C[C@@H](Nc1nc2ccccc2o1)c1ccc2c(c1)CCC(=O)N2 ZINC000040555557 183101786 /nfs/dbraw/zinc/10/17/86/183101786.db2.gz ACGNGRADCVRLOG-LLVKDONJSA-N 0 0 307.353 3.886 50 0 DHAARN Cc1ccc(O)c(Nc2nc3ccccc3c(NC3CC3)n2)c1 ZINC000041149634 183177889 /nfs/dbraw/zinc/17/78/89/183177889.db2.gz CNCRFBKUWDOWMV-UHFFFAOYSA-N 0 0 306.369 3.962 50 0 DHAARN CC(C)Cc1noc([C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000041123424 183168195 /nfs/dbraw/zinc/16/81/95/183168195.db2.gz GRAGLFWRPXWQTP-AWEZNQCLSA-N 0 0 305.422 3.512 50 0 DHAARN CCCc1noc([C@@H]2CCCCN2C(=O)C2CCCCC2)n1 ZINC000041122790 183168546 /nfs/dbraw/zinc/16/85/46/183168546.db2.gz BDOOQVIYZKAWJB-AWEZNQCLSA-N 0 0 305.422 3.656 50 0 DHAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000041450570 183192037 /nfs/dbraw/zinc/19/20/37/183192037.db2.gz SYRNIKCTBPSREZ-UHFFFAOYSA-N 0 0 314.341 3.501 50 0 DHAARN Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)on1 ZINC000041893742 183224753 /nfs/dbraw/zinc/22/47/53/183224753.db2.gz KIURYTYOCAKGRX-QMTHXVAHSA-N 0 0 300.358 3.504 50 0 DHAARN O=C(Nc1ccncc1)c1ccccc1SC[C@H]1CCCO1 ZINC000042034240 183230310 /nfs/dbraw/zinc/23/03/10/183230310.db2.gz HCSZGCCANFQNMH-CQSZACIVSA-N 0 0 314.410 3.605 50 0 DHAARN Cc1ccsc1CN(C)C(=O)[C@H](C)n1cnc2ccccc21 ZINC000042348577 183256711 /nfs/dbraw/zinc/25/67/11/183256711.db2.gz AMLDLDGFNHNBBF-ZDUSSCGKSA-N 0 0 313.426 3.626 50 0 DHAARN O=C(NCc1cccc(Oc2ccc(F)cc2)c1)c1cccnc1 ZINC000042382889 183262448 /nfs/dbraw/zinc/26/24/48/183262448.db2.gz PCEQBKYFGYKIHG-UHFFFAOYSA-N 0 0 322.339 3.943 50 0 DHAARN O=C(/C=C\c1cccc(-c2ccccc2)c1)Nc1nncs1 ZINC000042857521 183314099 /nfs/dbraw/zinc/31/40/99/183314099.db2.gz BPGCMVNGWQWYNK-KTKRTIGZSA-N 0 0 307.378 3.857 50 0 DHAARN O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042850574 183314216 /nfs/dbraw/zinc/31/42/16/183314216.db2.gz CNJGBJAHYIHHNP-DGCLKSJQSA-N 0 0 303.299 3.606 50 0 DHAARN CC(=O)Oc1ccccc1C(=O)c1cccc(C(F)(F)F)c1 ZINC000043209752 183344368 /nfs/dbraw/zinc/34/43/68/183344368.db2.gz GJCCXWDYFZJOCS-UHFFFAOYSA-N 0 0 308.255 3.862 50 0 DHAARN CSc1ccccc1C(=O)c1cccc(C2OCCO2)c1 ZINC000043212534 183344914 /nfs/dbraw/zinc/34/49/14/183344914.db2.gz FWYLNMSJLJVECU-UHFFFAOYSA-N 0 0 300.379 3.685 50 0 DHAARN CCOC(=O)CCCCC(=O)c1cc(F)c(F)cc1Cl ZINC000043214396 183345179 /nfs/dbraw/zinc/34/51/79/183345179.db2.gz HJUQHFPXKQCNEK-UHFFFAOYSA-N 0 0 304.720 3.924 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@@H](C)O1 ZINC000043552851 183370728 /nfs/dbraw/zinc/37/07/28/183370728.db2.gz ASCSJVMFUOMHCF-NXEZZACHSA-N 0 0 316.373 3.642 50 0 DHAARN CC(C)CC[C@H](C)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000043875126 183388510 /nfs/dbraw/zinc/38/85/10/183388510.db2.gz LHBZWLPDUZKIKB-ZDUSSCGKSA-N 0 0 317.433 3.525 50 0 DHAARN CSCc1nnc(SCCCOc2ccc(F)cc2)o1 ZINC000043878081 183388673 /nfs/dbraw/zinc/38/86/73/183388673.db2.gz HRHAWZNXUUUHLN-UHFFFAOYSA-N 0 0 314.407 3.633 50 0 DHAARN CC(C)CC[C@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 ZINC000044087408 183394444 /nfs/dbraw/zinc/39/44/44/183394444.db2.gz FMNNUHGMXLWGKV-LBPRGKRZSA-N 0 0 302.378 3.683 50 0 DHAARN CN(C)c1cc(C(F)(F)F)c(Br)c(Cl)n1 ZINC000044154552 183396357 /nfs/dbraw/zinc/39/63/57/183396357.db2.gz PGCKHLMKKGPSQQ-UHFFFAOYSA-N 0 0 303.509 3.582 50 0 DHAARN C[C@H](CCc1ccco1)NC(=O)N(C)Cc1cccc(F)c1 ZINC000045035742 183477441 /nfs/dbraw/zinc/47/74/41/183477441.db2.gz SWQFUNBOJYWBEH-CYBMUJFWSA-N 0 0 304.365 3.581 50 0 DHAARN Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000183705214 335040263 /nfs/dbraw/zinc/04/02/63/335040263.db2.gz KASZRACUZLIGHD-IYBDPMFKSA-N 0 0 324.428 3.835 50 0 DHAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)cc1 ZINC000045967271 183541702 /nfs/dbraw/zinc/54/17/02/183541702.db2.gz NFDXMARYUYHAAE-UHFFFAOYSA-N 0 0 321.380 3.816 50 0 DHAARN O=C(Nc1nncs1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000047321175 183587039 /nfs/dbraw/zinc/58/70/39/183587039.db2.gz HCSCGQVHBYVCKY-LLVKDONJSA-N 0 0 308.794 3.561 50 0 DHAARN O=C(Nc1cnn(Cc2ccccc2)c1)Nc1ccccc1F ZINC000048051352 183617546 /nfs/dbraw/zinc/61/75/46/183617546.db2.gz LQJCBTJPDBDKIL-UHFFFAOYSA-N 0 0 310.332 3.715 50 0 DHAARN O=C(CCc1ccccc1)Nc1ccc(Oc2ncccn2)cc1 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CC[C@H](C)N(Cc1cccnc1)C(=O)c1cccc(F)c1OC ZINC000055108810 183964767 /nfs/dbraw/zinc/96/47/67/183964767.db2.gz AKGAUAVKOBWJHS-ZDUSSCGKSA-N 0 0 316.376 3.670 50 0 DHAARN Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000055863083 183998864 /nfs/dbraw/zinc/99/88/64/183998864.db2.gz CBWCFUCRGTVSJO-KRWDZBQOSA-N 0 0 316.376 3.727 50 0 DHAARN CC(C)c1ccc(C(=O)Nc2ccccc2Cn2cncn2)cc1 ZINC000055969026 184002300 /nfs/dbraw/zinc/00/23/00/184002300.db2.gz FTSUBBCCXQKJJF-UHFFFAOYSA-N 0 0 320.396 3.702 50 0 DHAARN O=C(C=C1CCCCC1)NCc1ccnc(OC2CCCC2)c1 ZINC000055994037 184002414 /nfs/dbraw/zinc/00/24/14/184002414.db2.gz DDBMYXFHPZCGCH-UHFFFAOYSA-N 0 0 314.429 3.910 50 0 DHAARN O=C(Nc1ccccc1-c1ccccc1)c1cn2cccnc2n1 ZINC000056254226 184008308 /nfs/dbraw/zinc/00/83/08/184008308.db2.gz GFNYSLXNIBHXHB-UHFFFAOYSA-N 0 0 314.348 3.649 50 0 DHAARN COc1ccc(NC(=O)C=C(C2CC2)C2CC2)c2cccnc12 ZINC000056312873 184009880 /nfs/dbraw/zinc/00/98/80/184009880.db2.gz JGHHSLGXBXKYLS-UHFFFAOYSA-N 0 0 308.381 3.928 50 0 DHAARN CCN(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12 ZINC000057026804 184025201 /nfs/dbraw/zinc/02/52/01/184025201.db2.gz CZZXKNLVYNUARQ-UHFFFAOYSA-N 0 0 307.397 3.544 50 0 DHAARN CSCC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000057084203 184027003 /nfs/dbraw/zinc/02/70/03/184027003.db2.gz CCAGEYAZDMBBNZ-AWEZNQCLSA-N 0 0 311.859 3.970 50 0 DHAARN CCCC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000057291750 184032753 /nfs/dbraw/zinc/03/27/53/184032753.db2.gz ORGBCXGPBDUFJH-UHFFFAOYSA-N 0 0 308.381 3.628 50 0 DHAARN C[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl ZINC000057703520 184047548 /nfs/dbraw/zinc/04/75/48/184047548.db2.gz ABIWDPPNYCKXMD-CXAGYDPISA-N 0 0 316.832 3.820 50 0 DHAARN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccccn4)no3)n[nH]2)c1 ZINC000057510978 184040566 /nfs/dbraw/zinc/04/05/66/184040566.db2.gz JDUXCXOQIQBMFO-UHFFFAOYSA-N 0 0 317.352 3.806 50 0 DHAARN COCc1nc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 ZINC000057531071 184041614 /nfs/dbraw/zinc/04/16/14/184041614.db2.gz ZUCTVMWJHLTNDL-UHFFFAOYSA-N 0 0 316.364 3.605 50 0 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DHAARN CNc1ncc(-c2ccc(O)c(OC)c2)c(-c2ccc(C)cc2)n1 ZINC000065384747 184333406 /nfs/dbraw/zinc/33/34/06/184333406.db2.gz DPUVHSLOINAYSW-UHFFFAOYSA-N 0 0 321.380 3.875 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC2)c1cc2c(s1)CN(C1CC1)C2 ZINC000065238863 184317154 /nfs/dbraw/zinc/31/71/54/184317154.db2.gz UMXUEDPPUWNFHR-UHFFFAOYSA-N 0 0 324.449 3.967 50 0 DHAARN CCN(Cc1nnn(-c2ccc(F)cc2)c1C)Cc1ccccc1 ZINC000065239668 184317369 /nfs/dbraw/zinc/31/73/69/184317369.db2.gz BBFQWJZBQAMEAO-UHFFFAOYSA-N 0 0 324.403 3.737 50 0 DHAARN Cc1ccc(-c2nc(NCC3CC3)ncc2-c2cncnc2)cc1 ZINC000065393926 184334762 /nfs/dbraw/zinc/33/47/62/184334762.db2.gz OXRZTADDDVLZCW-UHFFFAOYSA-N 0 0 317.396 3.731 50 0 DHAARN CCN(CC)c1cc(CCC(=O)Nc2ccc(C)cc2)ccn1 ZINC000065269917 184320220 /nfs/dbraw/zinc/32/02/20/184320220.db2.gz OZPHJUCGQFMXOP-UHFFFAOYSA-N 0 0 311.429 3.808 50 0 DHAARN Cc1ccccc1Cn1cccc1-c1nc(-c2ccncc2)no1 ZINC000065288380 184323192 /nfs/dbraw/zinc/32/31/92/184323192.db2.gz CAMAVKFZTVDWDG-UHFFFAOYSA-N 0 0 316.364 3.957 50 0 DHAARN O=C1CCCN1c1ccc(Br)c(C(F)(F)F)c1 ZINC000065337220 184324923 /nfs/dbraw/zinc/32/49/23/184324923.db2.gz SSWXPVAQLRIJIR-UHFFFAOYSA-N 0 0 308.097 3.595 50 0 DHAARN CCOc1ccccc1-c1ccc(C(=O)Nc2cccnc2)o1 ZINC000065396712 184335039 /nfs/dbraw/zinc/33/50/39/184335039.db2.gz JZXWMCPWSFXUEP-UHFFFAOYSA-N 0 0 308.337 3.993 50 0 DHAARN CC(=O)Nc1cccc(-c2nc(C(F)(F)F)nc(C)c2C)c1 ZINC000065376208 184331260 /nfs/dbraw/zinc/33/12/60/184331260.db2.gz CYPICUFFGMMGLH-UHFFFAOYSA-N 0 0 309.291 3.738 50 0 DHAARN CCN(Cc1ccc(C)o1)C(=O)[C@H](C)n1ccnc1C(C)C ZINC000065407851 184339257 /nfs/dbraw/zinc/33/92/57/184339257.db2.gz UMEQRBZFXHDXPU-AWEZNQCLSA-N 0 0 303.406 3.518 50 0 DHAARN FC(F)(F)c1ccccc1-n1nc(C2CC2)nc1[C@H]1CCOC1 ZINC000065408500 184339345 /nfs/dbraw/zinc/33/93/45/184339345.db2.gz RCHBVVASYRFYFS-NSHDSACASA-N 0 0 323.318 3.667 50 0 DHAARN CCCCc1nc([C@@H]2C[C@H](NC(C)=O)C[C@H](CC(C)C)O2)c[nH]1 ZINC000065435703 184344581 /nfs/dbraw/zinc/34/45/81/184344581.db2.gz IRRREXTWXRDBSQ-VYDXJSESSA-N 0 0 321.465 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CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(C)cc2C)c1 ZINC000067649605 184476227 /nfs/dbraw/zinc/47/62/27/184476227.db2.gz RDKRKDMZSRHIKD-CQSZACIVSA-N 0 0 310.397 3.753 50 0 DHAARN CCc1nc(CN(C)C(=O)[C@H]2C[C@@H]2c2cccc(C)c2)cs1 ZINC000069366911 184509977 /nfs/dbraw/zinc/50/99/77/184509977.db2.gz MIKMPBAFGQYEMH-CVEARBPZSA-N 0 0 314.454 3.776 50 0 DHAARN Cc1nnc([C@H](C)N2CCc3[nH]c4ccc(Cl)cc4c3C2)o1 ZINC000069566216 184526483 /nfs/dbraw/zinc/52/64/83/184526483.db2.gz YDNVWXFICIOBCL-VIFPVBQESA-N 0 0 316.792 3.632 50 0 DHAARN CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1cccnc1 ZINC000069512341 184521205 /nfs/dbraw/zinc/52/12/05/184521205.db2.gz OKPRRRNGKBYGIQ-UHFFFAOYSA-N 0 0 312.266 3.906 50 0 DHAARN CSc1ccc(CC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000116722237 194764554 /nfs/dbraw/zinc/76/45/54/194764554.db2.gz ATNRSJRZMHFQEU-UHFFFAOYSA-N 0 0 312.438 3.537 50 0 DHAARN Cc1nnc(-c2ccccc2C(=O)NC2CCC(C)(C)CC2)o1 ZINC000158693504 197294542 /nfs/dbraw/zinc/29/45/42/197294542.db2.gz FNWCBLOXKFPAPP-UHFFFAOYSA-N 0 0 313.401 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Cc1ccc(NC(=O)N2CCCCCO2)cc1C(F)(F)F ZINC000253424396 563925075 /nfs/dbraw/zinc/92/50/75/563925075.db2.gz FLIPKZBDYJPXQA-UHFFFAOYSA-N 0 0 302.296 3.963 50 0 DHAARN O=C1C[C@@H](c2cccnc2)Oc2ccc(Br)cc21 ZINC000008993672 563951801 /nfs/dbraw/zinc/95/18/01/563951801.db2.gz HPIKEKWGPKDJPK-AWEZNQCLSA-N 0 0 304.143 3.551 50 0 DHAARN COCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000149491 563224433 /nfs/dbraw/zinc/22/44/33/563224433.db2.gz LGRZXCWKVQFFNX-UHFFFAOYSA-N 0 0 317.197 3.702 50 0 DHAARN COc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000000260704 563233885 /nfs/dbraw/zinc/23/38/85/563233885.db2.gz GHJVCQAYICOIKX-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN O=S(=O)(NCc1ccc(Cl)cc1Cl)c1cccs1 ZINC000000378899 563247750 /nfs/dbraw/zinc/24/77/50/563247750.db2.gz QBBUOJIPMSQENA-UHFFFAOYSA-N 0 0 322.238 3.533 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)OC12CCCCC2 ZINC000000310538 563239745 /nfs/dbraw/zinc/23/97/45/563239745.db2.gz UFIQAALAOFWVKX-ZDUSSCGKSA-N 0 0 307.777 3.545 50 0 DHAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000000491556 563263602 /nfs/dbraw/zinc/26/36/02/563263602.db2.gz LRPUZJLRGKBDFF-UHFFFAOYSA-N 0 0 304.802 3.775 50 0 DHAARN Cc1ccsc1CNC(=O)CCSc1ccccc1F ZINC000032800931 563396494 /nfs/dbraw/zinc/39/64/94/563396494.db2.gz UCTDLQPYWDCPRA-UHFFFAOYSA-N 0 0 309.431 3.994 50 0 DHAARN O=C(CSCc1ccccc1Cl)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000055118847 563471905 /nfs/dbraw/zinc/47/19/05/563471905.db2.gz HEVCMDTUDDDTKK-OKILXGFUSA-N 0 0 321.873 3.998 50 0 DHAARN O=C([O-])[C@@H](c1ccccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000006863816 560206443 /nfs/dbraw/zinc/20/64/43/560206443.db2.gz DCASRSISIKYPDD-CQSZACIVSA-N 0 0 307.802 3.586 50 0 in-vitro DHAARN O=C(c1cccc(Cl)c1Cl)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067757416 563490715 /nfs/dbraw/zinc/49/07/15/563490715.db2.gz AZGCPODJOVMUSE-SNVBAGLBSA-N 0 0 324.211 3.736 50 0 DHAARN C/C=C/C(=O)N1CCC(n2nc(C(C)C)cc2C(C)C)CC1 ZINC000022313650 563504211 /nfs/dbraw/zinc/50/42/11/563504211.db2.gz JYRURSHBBXIIAT-VOTSOKGWSA-N 0 0 303.450 3.870 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)c(C)c1 ZINC000000029600 563211129 /nfs/dbraw/zinc/21/11/29/563211129.db2.gz YDUJUUVGZIPXJO-UHFFFAOYSA-N 0 0 315.438 3.753 50 0 DHAARN COc1ccc(C(=O)Oc2cccc(C)c2)cc1Br ZINC000000045896 563211719 /nfs/dbraw/zinc/21/17/19/563211719.db2.gz FZJDSLFGTRHXLC-UHFFFAOYSA-N 0 0 321.170 3.985 50 0 DHAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000029401 563211172 /nfs/dbraw/zinc/21/11/72/563211172.db2.gz DAAWHMNIJGHYCG-UHFFFAOYSA-N 0 0 309.818 3.551 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000000029635 563211236 /nfs/dbraw/zinc/21/12/36/563211236.db2.gz MSEVLFWWYDFFSL-UHFFFAOYSA-N 0 0 303.745 3.769 50 0 DHAARN O=C(c1cccc(Br)c1)N1CCc2ccccc2C1 ZINC000000029879 563211257 /nfs/dbraw/zinc/21/12/57/563211257.db2.gz LMDNXIVQWYQJKJ-UHFFFAOYSA-N 0 0 316.198 3.648 50 0 DHAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccn1 ZINC000000037348 563211438 /nfs/dbraw/zinc/21/14/38/563211438.db2.gz MGTFCUWCQOFSSV-NSHDSACASA-N 0 0 306.818 3.532 50 0 DHAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3)CC2=O)cc1 ZINC000000045000 563211723 /nfs/dbraw/zinc/21/17/23/563211723.db2.gz RBUKRBQQEKPQFP-MRXNPFEDSA-N 0 0 322.408 3.549 50 0 DHAARN Cc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1 ZINC000000069499 563212725 /nfs/dbraw/zinc/21/27/25/563212725.db2.gz GGOAWUQFHPPYGL-UHFFFAOYSA-N 0 0 317.435 3.688 50 0 DHAARN CC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2Cl)c1 ZINC000000068035 563212834 /nfs/dbraw/zinc/21/28/34/563212834.db2.gz OHORXYDQEZINLP-UHFFFAOYSA-N 0 0 302.761 3.859 50 0 DHAARN COc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000000070930 563213181 /nfs/dbraw/zinc/21/31/81/563213181.db2.gz VRMPPKFXZHEANL-AAMUTCKCSA-N 0 0 305.333 3.705 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccccc1 ZINC000000072796 563213219 /nfs/dbraw/zinc/21/32/19/563213219.db2.gz XHPQLCFYRGYKAK-UHFFFAOYSA-N 0 0 321.332 3.690 50 0 DHAARN O=C1C[C@@H](c2ccco2)Sc2nc(-c3ccc(F)cc3)nn21 ZINC000000079123 563213861 /nfs/dbraw/zinc/21/38/61/563213861.db2.gz YCUZQPXMUPVPBL-LBPRGKRZSA-N 0 0 315.329 3.555 50 0 DHAARN Oc1ccc(-c2csc3nc(-c4ccccc4)nn23)c(O)c1 ZINC000000075350 563214063 /nfs/dbraw/zinc/21/40/63/563214063.db2.gz QSLAEURNDLKNBI-UHFFFAOYSA-N 0 0 309.350 3.536 50 0 DHAARN O=C(NC(=S)Nc1cccc2ccccc21)c1ccccc1 ZINC000000081504 563214363 /nfs/dbraw/zinc/21/43/63/563214363.db2.gz JYZHKZNALZZENK-UHFFFAOYSA-N 0 0 306.390 3.967 50 0 DHAARN Cc1ccc(-n2nnnc2SCc2ccccc2F)cc1C ZINC000000089839 563215071 /nfs/dbraw/zinc/21/50/71/563215071.db2.gz ABTAJBGXZSOEKX-UHFFFAOYSA-N 0 0 314.389 3.711 50 0 DHAARN Cc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1 ZINC000000089127 563215097 /nfs/dbraw/zinc/21/50/97/563215097.db2.gz MVHSHYUVOKRHKN-UHFFFAOYSA-N 0 0 316.154 3.926 50 0 DHAARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccccc1F ZINC000000091903 563215802 /nfs/dbraw/zinc/21/58/02/563215802.db2.gz NHDZMXWTCNFYCM-CQSZACIVSA-N 0 0 304.361 3.969 50 0 DHAARN Fc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000000093814 563215886 /nfs/dbraw/zinc/21/58/86/563215886.db2.gz RTAHQCFFBMRKFI-UHFFFAOYSA-N 0 0 322.265 3.546 50 0 DHAARN Brc1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000000091353 563215889 /nfs/dbraw/zinc/21/58/89/563215889.db2.gz ZGPRTJKJTXKDRE-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1COc2ccccc2O1 ZINC000000101370 563216961 /nfs/dbraw/zinc/21/69/61/563216961.db2.gz SEPYGGYAPIXZOK-ZDUSSCGKSA-N 0 0 324.163 3.772 50 0 DHAARN O=C1CS[C@@H](c2ccccn2)N1c1ccc(C(F)(F)F)cc1 ZINC000000102023 563217404 /nfs/dbraw/zinc/21/74/04/563217404.db2.gz NOAJKCWURNZYAQ-AWEZNQCLSA-N 0 0 324.327 3.879 50 0 DHAARN Clc1cc(Cl)cc(-c2nnnn2Cc2ccccc2)c1 ZINC000000116121 563219226 /nfs/dbraw/zinc/21/92/26/563219226.db2.gz ILYWVDAQQDGCGW-UHFFFAOYSA-N 0 0 305.168 3.695 50 0 DHAARN Cc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 ZINC000000116274 563219374 /nfs/dbraw/zinc/21/93/74/563219374.db2.gz PJBMTFHIZRQANL-UHFFFAOYSA-N 0 0 323.377 3.723 50 0 DHAARN Cc1cc(C)nc(SCC(=O)Nc2ccc3ccccc3c2)n1 ZINC000000115187 563219407 /nfs/dbraw/zinc/21/94/07/563219407.db2.gz QAYGWPKQQQTWMF-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)c3C)CC2=O)cc1 ZINC000000118363 563219814 /nfs/dbraw/zinc/21/98/14/563219814.db2.gz UJERNYYVCLCBBG-INIZCTEOSA-N 0 0 322.408 3.603 50 0 DHAARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)OC12CCCCC2 ZINC000000119126 563219853 /nfs/dbraw/zinc/21/98/53/563219853.db2.gz HBNZNJMUGHRRQB-NSHDSACASA-N 0 0 307.777 3.545 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1C ZINC000000118994 563219882 /nfs/dbraw/zinc/21/98/82/563219882.db2.gz XJABIQWZBHSWOD-MRXNPFEDSA-N 0 0 322.408 3.603 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000000123724 563220428 /nfs/dbraw/zinc/22/04/28/563220428.db2.gz GPHAIQRINCAZER-UHFFFAOYSA-N 0 0 318.170 3.904 50 0 DHAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 ZINC000000124083 563221215 /nfs/dbraw/zinc/22/12/15/563221215.db2.gz QZLXLJOCFGSAEV-UHFFFAOYSA-N 0 0 319.382 3.649 50 0 DHAARN O=C(Nc1cccc2ccccc21)[C@@H]1COc2ccccc2O1 ZINC000000130571 563221480 /nfs/dbraw/zinc/22/14/80/563221480.db2.gz VQJGXKHLSMYYQO-SFHVURJKSA-N 0 0 305.333 3.618 50 0 DHAARN C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000000133938 563222012 /nfs/dbraw/zinc/22/20/12/563222012.db2.gz QHCGOCLCVWCKGA-IUCAKERBSA-N 0 0 303.189 3.635 50 0 DHAARN COc1ccc(OC)c(NC(=S)Nc2ccc(F)cc2)c1 ZINC000000143207 563223307 /nfs/dbraw/zinc/22/33/07/563223307.db2.gz HFJKFHFTSHCZSU-UHFFFAOYSA-N 0 0 306.362 3.652 50 0 DHAARN CC(C)(C)C(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000000149146 563224675 /nfs/dbraw/zinc/22/46/75/563224675.db2.gz TVSITXYLSLMRKT-UHFFFAOYSA-N 0 0 312.365 3.995 50 0 DHAARN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000000151169 563225057 /nfs/dbraw/zinc/22/50/57/563225057.db2.gz GUEFAYBPKATUKG-CQSZACIVSA-N 0 0 311.406 3.879 50 0 DHAARN Cc1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000000153918 563225249 /nfs/dbraw/zinc/22/52/49/563225249.db2.gz HGTGUBQYOBHEBU-UHFFFAOYSA-N 0 0 311.263 3.933 50 0 DHAARN COc1ccc(CCC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000000168575 563226430 /nfs/dbraw/zinc/22/64/30/563226430.db2.gz NAJOZNUJSCICCJ-UHFFFAOYSA-N 0 0 317.816 3.640 50 0 DHAARN CSc1nc(N)n(-c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000000164492 563226479 /nfs/dbraw/zinc/22/64/79/563226479.db2.gz OZAYOSHJLZGGRO-UHFFFAOYSA-N 0 0 309.609 3.532 50 0 DHAARN COC(=O)c1ccc(-c2ncc(-c3ccc(N(C)C)cc3)o2)cc1 ZINC000000175470 563228055 /nfs/dbraw/zinc/22/80/55/563228055.db2.gz YVOKOKZJJVHYDT-UHFFFAOYSA-N 0 0 322.364 3.861 50 0 DHAARN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000000174099 563228150 /nfs/dbraw/zinc/22/81/50/563228150.db2.gz VICLKXASKPDMNH-LLVKDONJSA-N 0 0 302.399 3.920 50 0 DHAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(F)c1 ZINC000000176597 563228153 /nfs/dbraw/zinc/22/81/53/563228153.db2.gz YCHYPTHYQJUPKD-RIYZIHGNSA-N 0 0 301.704 3.824 50 0 DHAARN C[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1 ZINC000000181163 563228549 /nfs/dbraw/zinc/22/85/49/563228549.db2.gz DCLOAAOADZBCIS-LBPRGKRZSA-N 0 0 312.394 3.797 50 0 DHAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000209883 563231027 /nfs/dbraw/zinc/23/10/27/563231027.db2.gz UGUULXBAGBPGHP-KBPBESRZSA-N 0 0 303.427 3.791 50 0 DHAARN O=C(Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000000241309 563232758 /nfs/dbraw/zinc/23/27/58/563232758.db2.gz UGJPWLNLVKYGLV-UHFFFAOYSA-N 0 0 317.397 3.758 50 0 DHAARN Cc1[nH]c2ccc(CN3C(=O)c4ccccc4C3=O)cc2c1C ZINC000000249611 563233235 /nfs/dbraw/zinc/23/32/35/563233235.db2.gz MAHZPVULMSXVDS-UHFFFAOYSA-N 0 0 304.349 3.581 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000000284713 563235956 /nfs/dbraw/zinc/23/59/56/563235956.db2.gz WXKSRWODZBUBRO-UHFFFAOYSA-N 0 0 324.149 3.849 50 0 DHAARN O=C(Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000000298339 563237263 /nfs/dbraw/zinc/23/72/63/563237263.db2.gz RKXVLKARTSYWEU-UHFFFAOYSA-N 0 0 313.360 3.981 50 0 DHAARN COc1ccccc1CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000000312166 563239482 /nfs/dbraw/zinc/23/94/82/563239482.db2.gz TWTPIJYLPSRARB-UHFFFAOYSA-N 0 0 319.788 3.847 50 0 DHAARN O=c1oc2cc(OCc3cccc(F)c3)ccc2c2c1CCC2 ZINC000000316719 563240410 /nfs/dbraw/zinc/24/04/10/563240410.db2.gz TZWVNKCROZUZAF-UHFFFAOYSA-N 0 0 310.324 4.000 50 0 DHAARN Cc1ccc(-n2nc3ccc(NC(=O)CC(C)C)cc3n2)cc1 ZINC000000317420 563240977 /nfs/dbraw/zinc/24/09/77/563240977.db2.gz ISCYUFUYUPJWIP-UHFFFAOYSA-N 0 0 308.385 3.714 50 0 DHAARN Brc1cnccc1-c1ccncc1Br ZINC000000331204 563241416 /nfs/dbraw/zinc/24/14/16/563241416.db2.gz HNWAZWIFVJLUPZ-UHFFFAOYSA-N 0 0 313.980 3.669 50 0 DHAARN CC(=O)c1cc2c(cc1NC(=O)c1ccccc1Cl)OCO2 ZINC000000338698 563242012 /nfs/dbraw/zinc/24/20/12/563242012.db2.gz JHHPFXKQBUFPQO-UHFFFAOYSA-N 0 0 317.728 3.524 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(F)cc1 ZINC000000355199 563243655 /nfs/dbraw/zinc/24/36/55/563243655.db2.gz GLXGJDVTFWIREV-UHFFFAOYSA-N 0 0 324.355 3.762 50 0 DHAARN O=C(c1sc2cccc(Cl)c2c1Cl)N1CCOCC1 ZINC000000355177 563243704 /nfs/dbraw/zinc/24/37/04/563243704.db2.gz DWCKNKJGLOJLHP-UHFFFAOYSA-N 0 0 316.209 3.681 50 0 DHAARN Cc1ccccc1O[C@H](C)C(=O)Nc1cccc2cccnc21 ZINC000000364655 563245204 /nfs/dbraw/zinc/24/52/04/563245204.db2.gz RGLJMCUNALCMBT-CQSZACIVSA-N 0 0 306.365 3.949 50 0 DHAARN 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ZINC000003133312 563322661 /nfs/dbraw/zinc/32/26/61/563322661.db2.gz MNJLERHJIJIGFO-IBGZPJMESA-N 0 0 315.372 3.535 50 0 DHAARN Nc1c2cc3c(nc2sc1C(=O)c1cccs1)CCC3 ZINC000003219682 563324008 /nfs/dbraw/zinc/32/40/08/563324008.db2.gz KMDGIXOJZDTIPM-UHFFFAOYSA-N 0 0 300.408 3.660 50 0 DHAARN O=C(Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21)C1CC1 ZINC000034914942 563325334 /nfs/dbraw/zinc/32/53/34/563325334.db2.gz ZZTQLEAHPHGACH-UHFFFAOYSA-N 0 0 313.307 3.628 50 0 DHAARN Cc1cc(C)c2c(c1)N(C(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000246855383 563325345 /nfs/dbraw/zinc/32/53/45/563325345.db2.gz SGGKMPSPZMPLHK-MUJYYYPQSA-N 0 0 301.430 3.786 50 0 DHAARN C/C(=C/C(=O)N(C)Cc1scnc1C)c1cccc(F)c1 ZINC000071894163 563325625 /nfs/dbraw/zinc/32/56/25/563325625.db2.gz JGDBEPMKSWOJHZ-XFFZJAGNSA-N 0 0 304.390 3.653 50 0 DHAARN O=C(Cc1ccccc1)NC(=S)Nc1cccc2ccccc21 ZINC000004620757 563327681 /nfs/dbraw/zinc/32/76/81/563327681.db2.gz OTYPXUGZAAZVAF-UHFFFAOYSA-N 0 0 320.417 3.896 50 0 DHAARN Cc1cccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000004840161 563328488 /nfs/dbraw/zinc/32/84/88/563328488.db2.gz MBELEIIXWLTNME-UHFFFAOYSA-N 0 0 323.440 3.966 50 0 DHAARN Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000005699443 563330185 /nfs/dbraw/zinc/33/01/85/563330185.db2.gz VBPACNSLORHACN-UHFFFAOYSA-N 0 0 320.845 3.672 50 0 DHAARN C[C@H](c1cccnc1)N(C(=O)CCCc1ccccn1)C1CC1 ZINC000071903577 563331105 /nfs/dbraw/zinc/33/11/05/563331105.db2.gz AYKYNKQFQQFBBB-OAHLLOKOSA-N 0 0 309.413 3.552 50 0 DHAARN O=C(OCc1nccn1CC(F)(F)F)c1coc2ccccc12 ZINC000071904837 563331737 /nfs/dbraw/zinc/33/17/37/563331737.db2.gz IUSKBBRHTCNCPN-UHFFFAOYSA-N 0 0 324.258 3.549 50 0 DHAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cccnc1 ZINC000010577747 563332338 /nfs/dbraw/zinc/33/23/38/563332338.db2.gz MYQOXVDROSZNOK-UHFFFAOYSA-N 0 0 324.409 3.544 50 0 DHAARN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](C)n1ccnc1 ZINC000071911123 563333009 /nfs/dbraw/zinc/33/30/09/563333009.db2.gz PUJWAOIITCUUDB-LLVKDONJSA-N 0 0 307.781 3.523 50 0 DHAARN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)n1ccnc1 ZINC000071911124 563333431 /nfs/dbraw/zinc/33/34/31/563333431.db2.gz PUJWAOIITCUUDB-NSHDSACASA-N 0 0 307.781 3.523 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000002645767 563337329 /nfs/dbraw/zinc/33/73/29/563337329.db2.gz IFSBZQZPQIFIKY-UHFFFAOYSA-N 0 0 324.163 3.652 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2ccccc2oc1=O ZINC000002658096 563338012 /nfs/dbraw/zinc/33/80/12/563338012.db2.gz CGUMJRQXMGHHDK-AWEZNQCLSA-N 0 0 321.376 3.544 50 0 DHAARN Cc1ccc([C@@H](C)NCc2nnc(Cc3ccccc3C)o2)o1 ZINC000097373995 563338148 /nfs/dbraw/zinc/33/81/48/563338148.db2.gz ARWFQJQXDYQKLV-CQSZACIVSA-N 0 0 311.385 3.721 50 0 DHAARN CN1CCc2c(OCc3ccc(Cl)cc3)cccc2C1=O ZINC000002716239 563339285 /nfs/dbraw/zinc/33/92/85/563339285.db2.gz OBZAAMSZLCOKKR-UHFFFAOYSA-N 0 0 301.773 3.547 50 0 DHAARN CCC(=O)NCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000002721267 563339299 /nfs/dbraw/zinc/33/92/99/563339299.db2.gz BZPPPIALIIPYIT-UHFFFAOYSA-N 0 0 321.424 3.728 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000002796959 563342534 /nfs/dbraw/zinc/34/25/34/563342534.db2.gz WBFXOOVKGJHLGZ-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCCCCC1 ZINC000002778441 563342574 /nfs/dbraw/zinc/34/25/74/563342574.db2.gz JWABRTHERYBSHJ-UHFFFAOYSA-N 0 0 323.746 3.545 50 0 DHAARN COc1cc(C(=O)NC2CCCCCC2)ccc1OC(F)F ZINC000002796658 563342646 /nfs/dbraw/zinc/34/26/46/563342646.db2.gz XDTMVHLDZPNTNF-UHFFFAOYSA-N 0 0 313.344 3.749 50 0 DHAARN CO[C@@H](C(=O)NC[C@H](c1ccccc1)C(C)C)c1ccccc1 ZINC000071916891 563344686 /nfs/dbraw/zinc/34/46/86/563344686.db2.gz OVYCNDQWCINQOO-RBUKOAKNSA-N 0 0 311.425 3.930 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 ZINC000008130992 563344689 /nfs/dbraw/zinc/34/46/89/563344689.db2.gz MSDMIHCYDUTKMW-INIZCTEOSA-N 0 0 319.408 3.980 50 0 DHAARN COc1c(C)cc(S(=O)(=O)Nc2ccc(C)cc2)c(C)c1C ZINC000008132541 563344776 /nfs/dbraw/zinc/34/47/76/563344776.db2.gz YGPUKSCAVPTPIY-UHFFFAOYSA-N 0 0 319.426 3.730 50 0 DHAARN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1c(F)cccc1F ZINC000008479637 563347026 /nfs/dbraw/zinc/34/70/26/563347026.db2.gz AWHKYLOOIFFNBD-CYBMUJFWSA-N 0 0 321.323 3.770 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 ZINC000008427775 563347379 /nfs/dbraw/zinc/34/73/79/563347379.db2.gz QWOVCZWLNWLVGG-DOTOQJQBSA-N 0 0 322.408 3.543 50 0 DHAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1 ZINC000008587017 563348043 /nfs/dbraw/zinc/34/80/43/563348043.db2.gz ZKQRHLMHESLMJH-IBGZPJMESA-N 0 0 319.408 3.768 50 0 DHAARN O=C(Nc1ccccn1)c1ccccc1C(=O)c1ccccc1 ZINC000008707083 563349410 /nfs/dbraw/zinc/34/94/10/563349410.db2.gz LNLKKNMEMADHBA-UHFFFAOYSA-N 0 0 302.333 3.565 50 0 DHAARN O=C(Cc1ccccc1)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000008742549 563349671 /nfs/dbraw/zinc/34/96/71/563349671.db2.gz SAKXZHDZEWJDTH-UHFFFAOYSA-N 0 0 313.357 3.525 50 0 DHAARN Cn1c(C=O)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000008729908 563349822 /nfs/dbraw/zinc/34/98/22/563349822.db2.gz DTKSBSWBBDYBHI-UHFFFAOYSA-N 0 0 301.198 3.832 50 0 DHAARN COc1ccccc1-c1nnc2sc(/C=C\c3ccco3)nn21 ZINC000097466818 563350532 /nfs/dbraw/zinc/35/05/32/563350532.db2.gz SDVMNLXLFVWQDH-HJWRWDBZSA-N 0 0 324.365 3.625 50 0 DHAARN COc1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000009014156 563351494 /nfs/dbraw/zinc/35/14/94/563351494.db2.gz CTZLVURGWCDDDL-OAHLLOKOSA-N 0 0 319.364 3.559 50 0 DHAARN Cc1c(C)n(Cc2ccco2)c2ncn3nc(CC(C)C)nc3c12 ZINC000009135197 563352232 /nfs/dbraw/zinc/35/22/32/563352232.db2.gz HWLWNRCUDYDINZ-UHFFFAOYSA-N 0 0 323.400 3.536 50 0 DHAARN Cc1cccc(-c2nnc3sc(CCc4ccccc4)nn32)c1 ZINC000009227240 563352869 /nfs/dbraw/zinc/35/28/69/563352869.db2.gz TVKADHVMKQORNA-UHFFFAOYSA-N 0 0 320.421 3.946 50 0 DHAARN CCCC(=O)Nc1cccc(NC(=O)NC2CCCCC2)c1 ZINC000009229953 563352925 /nfs/dbraw/zinc/35/29/25/563352925.db2.gz ATKNNVFLRRLVEK-UHFFFAOYSA-N 0 0 303.406 3.879 50 0 DHAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)c1 ZINC000009224938 563352959 /nfs/dbraw/zinc/35/29/59/563352959.db2.gz GNNUEWNZFCXBOM-CYBMUJFWSA-N 0 0 301.415 3.521 50 0 DHAARN Cc1cccc(-c2nnc3sc(-c4ccc(F)cc4)nn32)c1 ZINC000009227238 563352963 /nfs/dbraw/zinc/35/29/63/563352963.db2.gz DUQNGDOMEFCXFC-UHFFFAOYSA-N 0 0 310.357 3.967 50 0 DHAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000009313504 563353118 /nfs/dbraw/zinc/35/31/18/563353118.db2.gz LELGTAZIFDGUSF-UHFFFAOYSA-N 0 0 313.357 3.586 50 0 DHAARN CC(C)CC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000009341386 563353609 /nfs/dbraw/zinc/35/36/09/563353609.db2.gz NZCXHNDERHETDY-UHFFFAOYSA-N 0 0 309.369 3.552 50 0 DHAARN CCCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 ZINC000009359514 563353617 /nfs/dbraw/zinc/35/36/17/563353617.db2.gz WKYCPLOBUNGCQW-UHFFFAOYSA-N 0 0 320.352 3.840 50 0 DHAARN CCCC(=O)c1c(=O)[nH]c2cccc3c2c1-c1ccccc1C3=O ZINC000009334442 563353910 /nfs/dbraw/zinc/35/39/10/563353910.db2.gz VUEQYKQTUPFQSC-UHFFFAOYSA-N 0 0 317.344 3.722 50 0 biogenic DHAARN O=C1C[C@@H](c2ccco2)Cc2nc(Nc3ccccc3)ncc21 ZINC000010156562 563355534 /nfs/dbraw/zinc/35/55/34/563355534.db2.gz JKBFFEYNOYPCAH-LBPRGKRZSA-N 0 0 305.337 3.726 50 0 DHAARN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccs1 ZINC000010296645 563356170 /nfs/dbraw/zinc/35/61/70/563356170.db2.gz ZKFYFPRUTAVHQU-CQSZACIVSA-N 0 0 303.383 3.558 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000010461528 563357533 /nfs/dbraw/zinc/35/75/33/563357533.db2.gz RCNOCMRNUDHHIT-OAHLLOKOSA-N 0 0 322.408 3.811 50 0 DHAARN C[C@H](OC(=O)c1cccc(F)c1)C(=O)c1ccc(Cl)cc1 ZINC000011565742 563358038 /nfs/dbraw/zinc/35/80/38/563358038.db2.gz SETXZDYDQZVRMB-JTQLQIEISA-N 0 0 306.720 3.907 50 0 DHAARN CCCCc1nnc2sc(-c3ccc(OCC)cc3)nn12 ZINC000011278019 563358354 /nfs/dbraw/zinc/35/83/54/563358354.db2.gz FHVNRVYCNPOOKN-UHFFFAOYSA-N 0 0 302.403 3.594 50 0 DHAARN CCCOc1ccc2cc(S(=O)(=O)N[C@H](C)CC)ccc2c1 ZINC000011614072 563358513 /nfs/dbraw/zinc/35/85/13/563358513.db2.gz JTPCRUFRCVOTSP-CYBMUJFWSA-N 0 0 321.442 3.705 50 0 DHAARN C[C@@H](NC(=O)CSc1nncc2ccccc21)c1ccccc1 ZINC000012138999 563362457 /nfs/dbraw/zinc/36/24/57/563362457.db2.gz BIFCKOIMDPKMKF-CYBMUJFWSA-N 0 0 323.421 3.599 50 0 DHAARN O=C(C1CCC1)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000012208287 563364937 /nfs/dbraw/zinc/36/49/37/563364937.db2.gz UXXQACOBVWKUAY-CYBMUJFWSA-N 0 0 307.384 3.936 50 0 DHAARN Cc1c(-c2nnc(-c3ccco3)o2)nnn1-c1ccc(C)cc1C ZINC000012274326 563365352 /nfs/dbraw/zinc/36/53/52/563365352.db2.gz YKYRULGDDBQPNH-UHFFFAOYSA-N 0 0 321.340 3.503 50 0 DHAARN Cc1ccccc1Oc1ncccc1CNC(=O)c1ccco1 ZINC000012301592 563365512 /nfs/dbraw/zinc/36/55/12/563365512.db2.gz FRMAGXOGVAOBAQ-UHFFFAOYSA-N 0 0 308.337 3.705 50 0 DHAARN Cc1cc(C)c(S(=O)(=O)NCc2ccccc2Cl)cc1C ZINC000012291806 563365630 /nfs/dbraw/zinc/36/56/30/563365630.db2.gz NFFOKUUYEKJSFS-UHFFFAOYSA-N 0 0 323.845 3.744 50 0 DHAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccon1 ZINC000012380955 563367880 /nfs/dbraw/zinc/36/78/80/563367880.db2.gz GZNQWFRYQKZQBC-CYBMUJFWSA-N 0 0 308.337 3.748 50 0 DHAARN CC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(C)c1C(C)=O ZINC000012408277 563369226 /nfs/dbraw/zinc/36/92/26/563369226.db2.gz DUFQTMQGHIJQTJ-UHFFFAOYSA-N 0 0 311.168 3.893 50 0 DHAARN CCCCNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000012404462 563369326 /nfs/dbraw/zinc/36/93/26/563369326.db2.gz ABAILENERJYMMA-UHFFFAOYSA-N 0 0 314.360 3.608 50 0 DHAARN CCCOc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 ZINC000046181832 563369784 /nfs/dbraw/zinc/36/97/84/563369784.db2.gz WCJIENFTPZIGCI-UHFFFAOYSA-N 0 0 305.324 3.684 50 0 DHAARN Cc1cccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)c1 ZINC000012475501 563370619 /nfs/dbraw/zinc/37/06/19/563370619.db2.gz LSPXEVNTMGHFJJ-UHFFFAOYSA-N 0 0 321.380 3.960 50 0 DHAARN CCOC(=O)c1ccc(-c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000012655198 563372080 /nfs/dbraw/zinc/37/20/80/563372080.db2.gz MFVQRXRRMLTVEB-UHFFFAOYSA-N 0 0 324.336 3.589 50 0 DHAARN CC[C@H](C)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 ZINC000012629254 563372260 /nfs/dbraw/zinc/37/22/60/563372260.db2.gz LPRSUVFPXXTLMV-NSHDSACASA-N 0 0 309.479 3.622 50 0 DHAARN O=C(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)C1CCCC1 ZINC000012703476 563372523 /nfs/dbraw/zinc/37/25/23/563372523.db2.gz RGLCFUPJIUVVAV-GOSISDBHSA-N 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318.461 3.503 50 0 DHAARN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccncc1 ZINC000025380007 563422863 /nfs/dbraw/zinc/42/28/63/563422863.db2.gz RCJQDFMZWJYGMT-CQSZACIVSA-N 0 0 321.380 3.547 50 0 DHAARN CCCCC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000025346123 563422879 /nfs/dbraw/zinc/42/28/79/563422879.db2.gz QFTIQHNYYZGRTG-VXGBXAGGSA-N 0 0 320.458 3.818 50 0 DHAARN Cc1nc(S[C@@H]2CCCCNC2=O)n(C2CCCCC2)c1C ZINC000010989699 563423887 /nfs/dbraw/zinc/42/38/87/563423887.db2.gz VSZGTSZRYXQFEK-OAHLLOKOSA-N 0 0 321.490 3.766 50 0 DHAARN C[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCc2ccccc2C1 ZINC000025798430 563424464 /nfs/dbraw/zinc/42/44/64/563424464.db2.gz MCLUUZRIROTJCL-WMLDXEAASA-N 0 0 306.409 3.844 50 0 DHAARN CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026295956 563425023 /nfs/dbraw/zinc/42/50/23/563425023.db2.gz NCVPGPFCMOECBL-KBPBESRZSA-N 0 0 314.351 3.949 50 0 DHAARN Nc1nc(CSC2CCCC2)nc(Nc2ccc(F)cc2)n1 ZINC000026245476 563425068 /nfs/dbraw/zinc/42/50/68/563425068.db2.gz 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563446866 /nfs/dbraw/zinc/44/68/66/563446866.db2.gz DTXCSSXQVACJOR-HXUWFJFHSA-N 0 0 302.424 3.662 50 0 DHAARN COc1cc(-c2noc(C3CCCCC3)n2)cc(OC)c1OC ZINC000000380281 563447648 /nfs/dbraw/zinc/44/76/48/563447648.db2.gz VONITYIPLRGGIQ-UHFFFAOYSA-N 0 0 318.373 3.810 50 0 DHAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCO3)ccc21 ZINC000002836813 563449115 /nfs/dbraw/zinc/44/91/15/563449115.db2.gz VNCMYEDNSOVUIC-SFHVURJKSA-N 0 0 308.381 3.932 50 0 DHAARN Cc1ccc(NC(=O)[C@]2(c3ccccc3)CCC(=O)[C@H]2C)cc1 ZINC000005019432 563450338 /nfs/dbraw/zinc/45/03/38/563450338.db2.gz MRQHYIGWVUXPHZ-FOIQADDNSA-N 0 0 307.393 3.871 50 0 DHAARN CC(C)(C)OC(=O)N1CCc2ccc(Br)cc2C1 ZINC000034753952 563451103 /nfs/dbraw/zinc/45/11/03/563451103.db2.gz PWPKRLMPHNRWHK-UHFFFAOYSA-N 0 0 312.207 3.742 50 0 DHAARN COc1ccc(C(=O)c2ccccc2Br)cc1F ZINC000035424058 563452837 /nfs/dbraw/zinc/45/28/37/563452837.db2.gz JWULDKRPAFHYEA-UHFFFAOYSA-N 0 0 309.134 3.828 50 0 DHAARN Cc1ccc(Nc2ccc(NC(=O)c3ccccc3)cc2)nn1 ZINC000035597940 563453394 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563468441 /nfs/dbraw/zinc/46/84/41/563468441.db2.gz VFCLHROYBLJCAA-UHFFFAOYSA-N 0 0 324.428 3.784 50 0 DHAARN Cc1cccc(C)c1N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000052518720 563468653 /nfs/dbraw/zinc/46/86/53/563468653.db2.gz VNJFRVCGHPNPOD-UHFFFAOYSA-N 0 0 315.848 3.674 50 0 DHAARN CC(=O)N1CCc2ccc(NC(=O)CCCc3ccccc3)cc21 ZINC000013695989 563469029 /nfs/dbraw/zinc/46/90/29/563469029.db2.gz CUUREQUPWDHFIS-UHFFFAOYSA-N 0 0 322.408 3.557 50 0 DHAARN CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccc(COC)o1 ZINC000055359501 563474522 /nfs/dbraw/zinc/47/45/22/563474522.db2.gz OJRYRMPGMXYXIU-LBPRGKRZSA-N 0 0 307.415 3.928 50 0 DHAARN CCCN(Cc1cccnc1)C(=O)c1ccc(Cl)cc1OC ZINC000055326582 563474690 /nfs/dbraw/zinc/47/46/90/563474690.db2.gz QXXJXYCYGHMCCY-UHFFFAOYSA-N 0 0 318.804 3.796 50 0 DHAARN CC(=O)c1cc(CN(Cc2ccccc2)C[C@@H](C)CO)cs1 ZINC000055392808 563475440 /nfs/dbraw/zinc/47/54/40/563475440.db2.gz WABAFXUBOSTCRM-CQSZACIVSA-N 0 0 317.454 3.581 50 0 DHAARN Fc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055542950 563476146 /nfs/dbraw/zinc/47/61/46/563476146.db2.gz ZHKJDWWPXPMBQV-UHFFFAOYSA-N 0 0 304.796 3.801 50 0 DHAARN O[C@@H](CN[C@H](Cc1ccccc1)C(F)(F)F)c1ccsc1 ZINC000095422955 563477007 /nfs/dbraw/zinc/47/70/07/563477007.db2.gz GGVVHUBONVPRLG-UONOGXRCSA-N 0 0 315.360 3.545 50 0 DHAARN O=C(NC1CC1)[C@H](Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000011160328 563477962 /nfs/dbraw/zinc/47/79/62/563477962.db2.gz LINLKNUQYKVRAS-LJQANCHMSA-N 0 0 324.399 3.746 50 0 DHAARN O=C(Nc1cccc(N2CCCCC2)c1)OCC(F)(F)F ZINC000058155034 563478739 /nfs/dbraw/zinc/47/87/39/563478739.db2.gz JRLPBPJXMUEZIZ-UHFFFAOYSA-N 0 0 302.296 3.788 50 0 DHAARN CCOCCCCNC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000058213609 563478924 /nfs/dbraw/zinc/47/89/24/563478924.db2.gz MAPQLYUEWXYOJG-UHFFFAOYSA-N 0 0 319.449 3.615 50 0 DHAARN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cc(-c2ccccc2)on1 ZINC000175864619 563479449 /nfs/dbraw/zinc/47/94/49/563479449.db2.gz HYRFNZNNJXBJNS-KPZWWZAWSA-N 0 0 320.348 3.845 50 0 DHAARN O=C(NCCc1ccccn1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000096404779 563479605 /nfs/dbraw/zinc/47/96/05/563479605.db2.gz XHUPBAUHPCJXNU-PMACEKPBSA-N 0 0 316.404 3.697 50 0 DHAARN Cn1c(CCCNC(=O)CC2=CCCCC2)nc2ccccc21 ZINC000096412468 563480220 /nfs/dbraw/zinc/48/02/20/563480220.db2.gz UXWSWIRHXHJTQJ-UHFFFAOYSA-N 0 0 311.429 3.513 50 0 DHAARN c1cc(CN2CCCC[C@@H]2c2nncn2-c2ccccc2)co1 ZINC000097941596 563480939 /nfs/dbraw/zinc/48/09/39/563480939.db2.gz HZLLIOIFBYFTSM-QGZVFWFLSA-N 0 0 308.385 3.588 50 0 DHAARN CSc1ccc(OCCSc2nncn2C2CC2)cc1 ZINC000096430128 563481531 /nfs/dbraw/zinc/48/15/31/563481531.db2.gz UYDOVFMZVVMXHI-UHFFFAOYSA-N 0 0 307.444 3.506 50 0 DHAARN CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000011207807 563481672 /nfs/dbraw/zinc/48/16/72/563481672.db2.gz VKCUGNPYMHSNSM-FQEVSTJZSA-N 0 0 309.409 3.895 50 0 DHAARN CCOCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000096431559 563482204 /nfs/dbraw/zinc/48/22/04/563482204.db2.gz JWOWKXYGHRZWGO-UHFFFAOYSA-N 0 0 306.749 3.502 50 0 DHAARN CO[C@@H](C)c1cccc(NC(=O)NCc2sc(C)nc2C)c1 ZINC000096434546 563482228 /nfs/dbraw/zinc/48/22/28/563482228.db2.gz XYHUZERDWPGQNV-NSHDSACASA-N 0 0 319.430 3.789 50 0 DHAARN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2csc(C)n2)o1 ZINC000096433137 563482248 /nfs/dbraw/zinc/48/22/48/563482248.db2.gz BCOMUKSEIAOLLM-IAQYHMDHSA-N 0 0 318.442 3.895 50 0 DHAARN CC[C@H]1CN(C(=O)Nc2cccc([C@@H](C)OC)c2)CCS1 ZINC000096434538 563482283 /nfs/dbraw/zinc/48/22/83/563482283.db2.gz VRTUCOLZILKZPX-DOMZBBRYSA-N 0 0 308.447 3.753 50 0 DHAARN C[C@@H](CCO)CNC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000096434511 563482478 /nfs/dbraw/zinc/48/24/78/563482478.db2.gz BFAYKNBLMPCWAK-LBPRGKRZSA-N 0 0 310.463 3.717 50 0 DHAARN CCc1cccc(N(C#N)Cc2csc([C@@H](C)OC)n2)c1 ZINC000096466038 563483674 /nfs/dbraw/zinc/48/36/74/563483674.db2.gz LXKJAEIRVRSNGZ-GFCCVEGCSA-N 0 0 301.415 3.901 50 0 DHAARN CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(COC)c2)C1 ZINC000096466356 563483807 /nfs/dbraw/zinc/48/38/07/563483807.db2.gz RSDPBNOHKNJPHX-HOTGVXAUSA-N 0 0 322.474 3.971 50 0 DHAARN Cc1nn(C)cc1[C@H](C)NCc1ccc(C)cc1Br ZINC000096483926 563485209 /nfs/dbraw/zinc/48/52/09/563485209.db2.gz RHXYAKJPUJKZKP-NSHDSACASA-N 0 0 322.250 3.650 50 0 DHAARN C[C@@H](CC(=O)c1cccs1)NC(=O)C1CCC(F)(F)CC1 ZINC000096487248 563485443 /nfs/dbraw/zinc/48/54/43/563485443.db2.gz OUWBGSKYEWUPMI-JTQLQIEISA-N 0 0 315.385 3.651 50 0 DHAARN COc1ccc2[nH]c(-c3n[nH]c(Cc4ccccc4)n3)cc2c1 ZINC000067641523 563487649 /nfs/dbraw/zinc/48/76/49/563487649.db2.gz SANXNTCGUAQJQE-UHFFFAOYSA-N 0 0 304.353 3.552 50 0 DHAARN Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc(-c2ccccc2)n1 ZINC000067695733 563489356 /nfs/dbraw/zinc/48/93/56/563489356.db2.gz GAXLZGLVNANLCP-MRXNPFEDSA-N 0 0 319.412 3.559 50 0 DHAARN CCCCN(Cc1ccsc1)C(=O)CCc1[nH]nc(C)c1C ZINC000067770007 563490396 /nfs/dbraw/zinc/49/03/96/563490396.db2.gz RCMAARPBXZTZMH-UHFFFAOYSA-N 0 0 319.474 3.850 50 0 DHAARN c1cn(CCc2ccccn2)c(-c2cc(-c3ccccc3)no2)n1 ZINC000067758000 563490661 /nfs/dbraw/zinc/49/06/61/563490661.db2.gz YUVCUBGAZZQMFO-UHFFFAOYSA-N 0 0 316.364 3.843 50 0 DHAARN C[C@@H](Cc1ccccn1)N(C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000067867989 563492513 /nfs/dbraw/zinc/49/25/13/563492513.db2.gz MCVHRBXHKRRSCW-HNNXBMFYSA-N 0 0 319.408 3.780 50 0 DHAARN Cc1ccc2c(c1)c(Cn1ccnc1-c1cccs1)nn2C ZINC000067856362 563492607 /nfs/dbraw/zinc/49/26/07/563492607.db2.gz LPPQQQXSIOPWJA-UHFFFAOYSA-N 0 0 308.410 3.855 50 0 DHAARN Cc1ccc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nc[nH]n2)o1 ZINC000067855013 563492690 /nfs/dbraw/zinc/49/26/90/563492690.db2.gz CIHYILVYVBNKCT-ZDUSSCGKSA-N 0 0 319.368 3.846 50 0 DHAARN Cc1ccoc1C(=O)N[C@H](c1ccncc1)c1ccccc1C ZINC000067934964 563493949 /nfs/dbraw/zinc/49/39/49/563493949.db2.gz QSWAZZDWDIJEJX-QGZVFWFLSA-N 0 0 306.365 3.811 50 0 DHAARN c1ccc(C(SCCN2CCOCC2)c2ccccc2)cc1 ZINC000096026361 563495014 /nfs/dbraw/zinc/49/50/14/563495014.db2.gz LAOCYEDOUFBMRE-UHFFFAOYSA-N 0 0 313.466 3.841 50 0 DHAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccccc1 ZINC000033086155 563496531 /nfs/dbraw/zinc/49/65/31/563496531.db2.gz MJCGYDDJBRJSCN-UHFFFAOYSA-N 0 0 306.369 3.704 50 0 DHAARN Cc1cccc(NC(=O)NCc2ccnc(N3CCCCC3)c2)c1 ZINC000033131220 563497116 /nfs/dbraw/zinc/49/71/16/563497116.db2.gz SKGZQXTVNGRHJE-UHFFFAOYSA-N 0 0 324.428 3.702 50 0 DHAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)cc1OC ZINC000071279773 563498465 /nfs/dbraw/zinc/49/84/65/563498465.db2.gz ACROUSODVTYVCT-LBPRGKRZSA-N 0 0 315.373 3.605 50 0 DHAARN Cc1cccnc1[C@H](C)Nc1nccc(CCC(F)(F)F)n1 ZINC000071523754 563499554 /nfs/dbraw/zinc/49/95/54/563499554.db2.gz VFZOEKHHWUJZNF-NSHDSACASA-N 0 0 310.323 3.848 50 0 DHAARN Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071575575 563499870 /nfs/dbraw/zinc/49/98/70/563499870.db2.gz RKWZTTIYUVFVMP-INIZCTEOSA-N 0 0 301.409 3.702 50 0 DHAARN COc1ccc(C[C@@H]2CN(C/C=C/c3ccccc3)CCO2)cc1 ZINC000071771661 563500641 /nfs/dbraw/zinc/50/06/41/563500641.db2.gz TUGGDQIECNUUNU-WKOQKXSESA-N 0 0 323.436 3.652 50 0 DHAARN CC(=O)Nc1cccc(NC(=O)CSCC2CCCC2)c1 ZINC000097138529 563507088 /nfs/dbraw/zinc/50/70/88/563507088.db2.gz LGUBLKOIZSOWOH-UHFFFAOYSA-N 0 0 306.431 3.507 50 0 DHAARN Fc1ccc(OC2CCN(c3cc(C4CC4)ncn3)CC2)cc1 ZINC000077301680 563508137 /nfs/dbraw/zinc/50/81/37/563508137.db2.gz JEAJVOICAAKHSB-UHFFFAOYSA-N 0 0 313.376 3.541 50 0 DHAARN CCCn1ccnc1Cn1ccnc1-c1ccc(O)c(Cl)c1 ZINC000077299697 563508309 /nfs/dbraw/zinc/50/83/09/563508309.db2.gz JMDOXEXZJFVFOA-UHFFFAOYSA-N 0 0 316.792 3.564 50 0 DHAARN COc1cccc([C@@H]2CCCN2C(=O)CSCC2CC2)c1 ZINC000077355390 563508946 /nfs/dbraw/zinc/50/89/46/563508946.db2.gz GYOAYOWTDLPZLY-INIZCTEOSA-N 0 0 305.443 3.502 50 0 DHAARN Cc1ccc(-c2nccn2Cc2csc(N3CCCC3)n2)o1 ZINC000077358499 563508954 /nfs/dbraw/zinc/50/89/54/563508954.db2.gz IIBXYZBOKFFVGR-UHFFFAOYSA-N 0 0 314.414 3.557 50 0 DHAARN CC(C)c1nc(CN(C)Cc2cnn(C)c2C2CC2)cs1 ZINC000077407724 563510321 /nfs/dbraw/zinc/51/03/21/563510321.db2.gz FUDMHBLRRQOFFP-UHFFFAOYSA-N 0 0 304.463 3.509 50 0 DHAARN CCn1nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1C ZINC000077438334 563510363 /nfs/dbraw/zinc/51/03/63/563510363.db2.gz HXUBCHZOSHEHBQ-QGZVFWFLSA-N 0 0 315.392 3.718 50 0 DHAARN Cc1c(C(=O)NC(C)(C)C)cccc1-n1ccnc1-c1ccco1 ZINC000077539995 563512029 /nfs/dbraw/zinc/51/20/29/563512029.db2.gz VCDHYZAPPCTKKG-UHFFFAOYSA-N 0 0 323.396 3.969 50 0 DHAARN COc1ccc(Nc2nc(Cl)nc(NC3CCCC3)n2)cc1 ZINC000000052016 563513707 /nfs/dbraw/zinc/51/37/07/563513707.db2.gz XYEQOJVAMRBTHT-UHFFFAOYSA-N 0 0 319.796 3.632 50 0 DHAARN CC(=O)Nc1ccc(CNc2cnn(-c3ccccc3)c2C)cc1 ZINC000097232495 563514666 /nfs/dbraw/zinc/51/46/66/563514666.db2.gz JWYVXYVEIJETMO-UHFFFAOYSA-N 0 0 320.396 3.751 50 0 DHAARN Cn1nccc1CNc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000097235447 563514856 /nfs/dbraw/zinc/51/48/56/563514856.db2.gz NECWEQJJENUSFU-UHFFFAOYSA-N 0 0 324.350 3.651 50 0 DHAARN O=C(/C=C\c1nc2ccccc2o1)OC[C@H]1CC1(Cl)Cl ZINC000098003253 563515218 /nfs/dbraw/zinc/51/52/18/563515218.db2.gz QNOLCEOURWTICQ-SSJHQANKSA-N 0 0 312.152 3.578 50 0 DHAARN Cc1ccc2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OCCCO3)O2 ZINC000000064420 563517636 /nfs/dbraw/zinc/51/76/36/563517636.db2.gz JUDIGUQMCYJMTH-SFHVURJKSA-N 0 0 310.349 3.863 50 0 biogenic DHAARN CCN(CC)c1cc(CNC(=O)Nc2cccc(C)c2)ccn1 ZINC000033280258 563518477 /nfs/dbraw/zinc/51/84/77/563518477.db2.gz CVEHTFQTYLDTRF-UHFFFAOYSA-N 0 0 312.417 3.558 50 0 DHAARN CN(C)c1cccc(C(=O)NCc2ccc(-c3ccoc3)o2)c1 ZINC000585148148 563521866 /nfs/dbraw/zinc/52/18/66/563521866.db2.gz QCDMEIXCZSZTBD-UHFFFAOYSA-N 0 0 310.353 3.536 50 0 DHAARN Cc1ccc(C(=O)NCc2noc(C3CCCCC3)n2)c(C)c1 ZINC000033328243 563522965 /nfs/dbraw/zinc/52/29/65/563522965.db2.gz WIMQVUAQCKKATB-UHFFFAOYSA-N 0 0 313.401 3.664 50 0 DHAARN COc1ccc(C(C)=O)cc1CC(=O)O[C@H]1CCC[C@H](C)C1 ZINC000098071020 563523301 /nfs/dbraw/zinc/52/33/01/563523301.db2.gz BDTVYZAXILILRO-LRDDRELGSA-N 0 0 304.386 3.562 50 0 DHAARN Clc1ncnc2scc([C@H]3COc4ccccc4O3)c21 ZINC000000093052 563528322 /nfs/dbraw/zinc/52/83/22/563528322.db2.gz BYXYOOUBQILWGZ-LLVKDONJSA-N 0 0 304.758 3.857 50 0 DHAARN CC(C)c1nccn1[C@@H](C)C(=O)NCc1c(F)cccc1Cl ZINC000095370875 563529942 /nfs/dbraw/zinc/52/99/42/563529942.db2.gz GTCAHUXRAYRSPQ-NSHDSACASA-N 0 0 323.799 3.676 50 0 DHAARN COc1cccc(-c2cc(CNc3cc(C4CC4)ncn3)on2)c1 ZINC000095383175 563529887 /nfs/dbraw/zinc/52/98/87/563529887.db2.gz TUPMIOGREZXOSK-UHFFFAOYSA-N 0 0 322.368 3.630 50 0 DHAARN CC(C)(C)OC(=O)n1ccc2c1ccc(N)c2Br ZINC000205895364 563530514 /nfs/dbraw/zinc/53/05/14/563530514.db2.gz SAHIMHVDJVMFOU-UHFFFAOYSA-N 0 0 311.179 3.769 50 0 DHAARN Cc1cc([C@@H](C(N)=O)c2ccc(Cl)cc2)c(Cl)cc1N ZINC000095921796 563530979 /nfs/dbraw/zinc/53/09/79/563530979.db2.gz VBIICLHCTBGREM-AWEZNQCLSA-N 0 0 309.196 3.501 50 0 DHAARN Cc1ccc(NC(=O)N[C@H](C)Cc2cnccn2)cc1C(C)C ZINC000096133780 563533071 /nfs/dbraw/zinc/53/30/71/563533071.db2.gz ABJMZIWYRSQMTN-CQSZACIVSA-N 0 0 312.417 3.661 50 0 DHAARN c1ccc2c(c1)ccnc2N1CCC[C@H](OCc2cccnc2)C1 ZINC000096130740 563533573 /nfs/dbraw/zinc/53/35/73/563533573.db2.gz KNZPGGXPYPLACW-SFHVURJKSA-N 0 0 319.408 3.815 50 0 DHAARN Cc1ccc(NCCCNC(=O)Nc2ccccc2C2CC2)nc1 ZINC000096150401 563533945 /nfs/dbraw/zinc/53/39/45/563533945.db2.gz WVAXBKCIOVDKIO-UHFFFAOYSA-N 0 0 324.428 3.891 50 0 DHAARN COc1ccc(Cl)cc1-c1ccc(SCC(N)=O)cc1 ZINC000096140516 563533956 /nfs/dbraw/zinc/53/39/56/563533956.db2.gz BQSREMVXHRJTSH-UHFFFAOYSA-N 0 0 307.802 3.593 50 0 DHAARN Cc1cc(C)nc(CN(C)C(=O)Nc2ccc(Cl)nc2C)c1 ZINC000096141162 563534036 /nfs/dbraw/zinc/53/40/36/563534036.db2.gz NYXPCWADNWXDJN-UHFFFAOYSA-N 0 0 318.808 3.719 50 0 DHAARN CN(CCC1(O)CCCC1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000096138412 563534058 /nfs/dbraw/zinc/53/40/58/563534058.db2.gz RNAJDMIETYXHMS-UHFFFAOYSA-N 0 0 314.788 3.638 50 0 DHAARN CC(C)(C)C[C@@H](NC(=O)Nc1cncc(F)c1)c1cccnc1 ZINC000096138865 563534276 /nfs/dbraw/zinc/53/42/76/563534276.db2.gz BFSHOLAMXLSWEP-OAHLLOKOSA-N 0 0 316.380 3.915 50 0 DHAARN CCN(C(=O)Nc1cc(C)ccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000096151300 563534493 /nfs/dbraw/zinc/53/44/93/563534493.db2.gz BVAWQJOKFFGJCX-CQSZACIVSA-N 0 0 320.433 3.815 50 0 DHAARN c1cc2c3c([nH]c2c(-c2nc([C@H]4CCOC4)no2)c1)CCCC3 ZINC000096180250 563535495 /nfs/dbraw/zinc/53/54/95/563535495.db2.gz JYMTVXKIRBSBHI-NSHDSACASA-N 0 0 309.369 3.601 50 0 DHAARN CCc1cccc2c3nnc(=S)[nH]c3n(Cc3ccccc3)c21 ZINC000096319334 563536411 /nfs/dbraw/zinc/53/64/11/563536411.db2.gz NKHHQAUJLLZWLH-UHFFFAOYSA-N 0 0 320.421 3.879 50 0 DHAARN CC(C)c1nc(CN(C)[C@@H](C)c2ccc3c(c2)OCCO3)co1 ZINC000097370445 563538423 /nfs/dbraw/zinc/53/84/23/563538423.db2.gz YFIBSUWDKKYTJE-ZDUSSCGKSA-N 0 0 316.401 3.762 50 0 DHAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1c(C)nc2cc(C)ccn21 ZINC000097506092 563539117 /nfs/dbraw/zinc/53/91/17/563539117.db2.gz BPXYFLRTBJDMCJ-INIZCTEOSA-N 0 0 322.412 3.569 50 0 DHAARN CSC[C@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000097532224 563539985 /nfs/dbraw/zinc/53/99/85/563539985.db2.gz NTMLGCWDIWSYIF-LBPRGKRZSA-N 0 0 318.417 3.589 50 0 DHAARN O=C(c1cc(C2CC2)n[nH]1)N(Cc1ccsc1)C1CCCC1 ZINC000097797673 563542554 /nfs/dbraw/zinc/54/25/54/563542554.db2.gz GTCZBBZKHHDUFV-UHFFFAOYSA-N 0 0 315.442 3.934 50 0 DHAARN C[C@@H](CC(=O)NCC[C@H](O)c1ccccc1)C1CCCCC1 ZINC000072303076 563543163 /nfs/dbraw/zinc/54/31/63/563543163.db2.gz RXSWPEMAVGZALA-YJBOKZPZSA-N 0 0 303.446 3.833 50 0 DHAARN CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000100044559 563545138 /nfs/dbraw/zinc/54/51/38/563545138.db2.gz HBTDXLKHIWBISZ-GOSISDBHSA-N 0 0 322.408 3.555 50 0 DHAARN Cc1[nH]nc(NC=C2c3ccccc3NC2=O)c1-c1ccccc1 ZINC000101712813 563558132 /nfs/dbraw/zinc/55/81/32/563558132.db2.gz GPPWDWXLIRYXIJ-PTNGSMBKSA-N 0 0 316.364 3.790 50 0 DHAARN COc1cc(N[C@H]2OC(=O)c3ccccc32)c(OC)cc1Cl ZINC000000100218 563558676 /nfs/dbraw/zinc/55/86/76/563558676.db2.gz JMJLOFCOIZQUDO-HNNXBMFYSA-N 0 0 319.744 3.638 50 0 DHAARN O=C(CC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000000118209 563571042 /nfs/dbraw/zinc/57/10/42/563571042.db2.gz KCSXEUZSBIFICB-UHFFFAOYSA-N 0 0 307.271 3.917 50 0 DHAARN Cc1ccc(Cc2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000000128417 563571652 /nfs/dbraw/zinc/57/16/52/563571652.db2.gz VJCCGAJNCDBWSI-UHFFFAOYSA-N 0 0 315.423 3.751 50 0 DHAARN CCOc1ccccc1C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000000141665 563572485 /nfs/dbraw/zinc/57/24/85/563572485.db2.gz XIMRYFKXRPRILH-UHFFFAOYSA-N 0 0 322.408 3.848 50 0 biogenic,in-vitro DHAARN CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC ZINC000000147255 563572568 /nfs/dbraw/zinc/57/25/68/563572568.db2.gz IVWZKDFACQJLSG-ZRDIBKRKSA-N 0 0 311.381 3.918 50 0 DHAARN CCc1cc(C(=O)Cc2ccc(OC(C)C)cc2)c(O)cc1O ZINC000000138835 563572642 /nfs/dbraw/zinc/57/26/42/563572642.db2.gz XWEBYUISRDUKOD-UHFFFAOYSA-N 0 0 314.381 3.873 50 0 biogenic DHAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1 ZINC000000145311 563573237 /nfs/dbraw/zinc/57/32/37/563573237.db2.gz ZYVFJIXGZURECZ-UHFFFAOYSA-N 0 0 305.761 3.675 50 0 DHAARN CCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OCC ZINC000000147456 563573285 /nfs/dbraw/zinc/57/32/85/563573285.db2.gz CSKILGRKNGMLDB-SOFGYWHQSA-N 0 0 318.398 3.592 50 0 DHAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(Cl)cc1 ZINC000000176625 563575264 /nfs/dbraw/zinc/57/52/64/563575264.db2.gz MSTGPZXUKKLXKZ-RIYZIHGNSA-N 0 0 301.704 3.824 50 0 DHAARN O=C(NCCc1ccc(O)cc1)c1ccc(-c2ccccc2)o1 ZINC000000188725 563576043 /nfs/dbraw/zinc/57/60/43/563576043.db2.gz XNJSTNYZMRSFBK-UHFFFAOYSA-N 0 0 307.349 3.625 50 0 DHAARN Cc1ccc2c(Cl)c(C(=O)NC[C@@H]3CCCO3)sc2c1 ZINC000000186009 563576049 /nfs/dbraw/zinc/57/60/49/563576049.db2.gz LAOCYNSMGHHRAH-JTQLQIEISA-N 0 0 309.818 3.772 50 0 DHAARN O=C(Cn1cnc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000000186446 563576710 /nfs/dbraw/zinc/57/67/10/563576710.db2.gz SSKLTRLYHBPTFD-UHFFFAOYSA-N 0 0 319.286 3.694 50 0 DHAARN CCOc1cccc2sc(NC(=O)Cc3ccccc3)nc21 ZINC000000191229 563576749 /nfs/dbraw/zinc/57/67/49/563576749.db2.gz RGSSWJRTKWXUTD-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN CCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000000200792 563577315 /nfs/dbraw/zinc/57/73/15/563577315.db2.gz RGIOLANLWLKHDE-CQSZACIVSA-N 0 0 307.397 3.937 50 0 DHAARN Cc1cc(C)n2nc(SCc3ccc(F)cc3Cl)nc2n1 ZINC000000217119 563578581 /nfs/dbraw/zinc/57/85/81/563578581.db2.gz ZLZQQOCFBZXLOG-UHFFFAOYSA-N 0 0 322.796 3.826 50 0 DHAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccccc1 ZINC000000213431 563578718 /nfs/dbraw/zinc/57/87/18/563578718.db2.gz NHXXVOAUJMTPHZ-JYRVWZFOSA-N 0 0 300.155 3.942 50 0 DHAARN O=C(CSc1ccc2ccccc2n1)N1CCCCCC1 ZINC000000210976 563578790 /nfs/dbraw/zinc/57/87/90/563578790.db2.gz GSSRJLODVGTEMI-UHFFFAOYSA-N 0 0 300.427 3.730 50 0 DHAARN Cc1ccc(OC(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000000243718 563580874 /nfs/dbraw/zinc/58/08/74/563580874.db2.gz GZPIUBUGTOTQRL-XVNBXDOJSA-N 0 0 318.716 3.570 50 0 DHAARN CC(=O)c1cc(C)ccc1OC(=O)c1cccc2nc(C)oc21 ZINC000000269565 563583566 /nfs/dbraw/zinc/58/35/66/563583566.db2.gz RAUSWAQCIQFMPU-UHFFFAOYSA-N 0 0 309.321 3.866 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000000265227 563583653 /nfs/dbraw/zinc/58/36/53/563583653.db2.gz RPWSVNLKEWXILJ-UHFFFAOYSA-N 0 0 324.163 3.652 50 0 DHAARN Cc1nc2n(CC(=O)c3ccc(Cl)cc3)c3ccccc3n2n1 ZINC000000268657 563584116 /nfs/dbraw/zinc/58/41/16/563584116.db2.gz FKQOOOBDVVJZJP-UHFFFAOYSA-N 0 0 324.771 3.529 50 0 DHAARN CC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1 ZINC000000322006 563588436 /nfs/dbraw/zinc/58/84/36/563588436.db2.gz CIJXBIXXYJVQLZ-UHFFFAOYSA-N 0 0 301.415 3.759 50 0 DHAARN Cc1cc(C)c2c(c1)C[C@@]1(C)C=C(C)C=C(C)[C@H]1S2(=O)=O ZINC000000348833 563589695 /nfs/dbraw/zinc/58/96/95/563589695.db2.gz FQIXFDJXMNMOOR-QZTJIDSGSA-N 0 0 302.439 3.914 50 0 DHAARN Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000000354492 563590025 /nfs/dbraw/zinc/59/00/25/563590025.db2.gz QEMOAVTWVQYYHI-GOSISDBHSA-N 0 0 322.408 3.664 50 0 DHAARN Cc1ccc(C)c([C@H](C)NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000000371609 563590745 /nfs/dbraw/zinc/59/07/45/563590745.db2.gz OSIDHIKSKXXEHW-AWEZNQCLSA-N 0 0 321.376 3.901 50 0 DHAARN Cc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1O ZINC000000365104 563590791 /nfs/dbraw/zinc/59/07/91/563590791.db2.gz LLTRMAKQEBASMT-LLVKDONJSA-N 0 0 305.761 3.760 50 0 DHAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1nccs1 ZINC000100438764 563592731 /nfs/dbraw/zinc/59/27/31/563592731.db2.gz BNHGWYJGEATHOK-GXDHUFHOSA-N 0 0 321.361 3.553 50 0 DHAARN O=C(CCC1CCCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000004902128 563592841 /nfs/dbraw/zinc/59/28/41/563592841.db2.gz JJYDTAYBQHDLQA-UHFFFAOYSA-N 0 0 316.445 3.822 50 0 DHAARN O=C(/C=C\c1ccc(Br)cc1)NC1CCCCC1 ZINC000033546489 563594491 /nfs/dbraw/zinc/59/44/91/563594491.db2.gz AXTSSRXMGOEHJK-FLIBITNWSA-N 0 0 308.219 3.911 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccc1O ZINC000005078364 563596916 /nfs/dbraw/zinc/59/69/16/563596916.db2.gz CYWCRBVTSJBWPL-GFCCVEGCSA-N 0 0 323.348 3.610 50 0 DHAARN Cc1ncsc1C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000046574295 563598906 /nfs/dbraw/zinc/59/89/06/563598906.db2.gz MWGXIEFHUWUDRY-UHFFFAOYSA-N 0 0 314.332 3.743 50 0 DHAARN O=C(CN1CCCc2ccccc21)Nc1cccc2ncccc21 ZINC000011725779 563599062 /nfs/dbraw/zinc/59/90/62/563599062.db2.gz WQGDAZPUSGMWLX-UHFFFAOYSA-N 0 0 317.392 3.626 50 0 DHAARN Cc1ccc2c(c1)CN(C(=O)c1ccc(F)c(F)c1)C[C@@H](C)O2 ZINC000011880438 563600778 /nfs/dbraw/zinc/60/07/78/563600778.db2.gz ZKAHJTGOGQOXLU-GFCCVEGCSA-N 0 0 317.335 3.697 50 0 DHAARN Cc1noc(C)c1CCC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000044513667 563603624 /nfs/dbraw/zinc/60/36/24/563603624.db2.gz FFEHGRNQONEBAX-UHFFFAOYSA-N 0 0 306.793 3.536 50 0 DHAARN COc1cccc(CC(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000055780191 563605153 /nfs/dbraw/zinc/60/51/53/563605153.db2.gz XLRTVJFVYDZNJR-IBGZPJMESA-N 0 0 309.409 3.910 50 0 DHAARN CCCc1nc2cc(CCC(=O)N3CCCCCC3)ccc2[nH]1 ZINC000075478708 563606045 /nfs/dbraw/zinc/60/60/45/563606045.db2.gz WLIPSAVOSZIKEB-UHFFFAOYSA-N 0 0 313.445 3.851 50 0 DHAARN Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1 ZINC000000209028 563611410 /nfs/dbraw/zinc/61/14/10/563611410.db2.gz JABYCOOMMCQRJC-UHFFFAOYSA-N 0 0 308.175 3.922 50 0 DHAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(F)c2)cc1 ZINC000000423861 563611948 /nfs/dbraw/zinc/61/19/48/563611948.db2.gz OMPQCAYYWNEBAO-INIZCTEOSA-N 0 0 303.358 3.613 50 0 DHAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccccc2)no1 ZINC000000423715 563612238 /nfs/dbraw/zinc/61/22/38/563612238.db2.gz SRKVLOFTYWDKDP-CYBMUJFWSA-N 0 0 322.364 3.841 50 0 DHAARN Cc1cc2ccccc2n1CCNC(=O)c1cc(C)cc(C)c1 ZINC000000427885 563612766 /nfs/dbraw/zinc/61/27/66/563612766.db2.gz QDFQNSBJSXLBQG-UHFFFAOYSA-N 0 0 306.409 3.997 50 0 DHAARN Brc1cnc(Oc2ccc3ncccc3c2)nc1 ZINC000067369961 563615083 /nfs/dbraw/zinc/61/50/83/563615083.db2.gz YUVYPHHJJAMDLC-UHFFFAOYSA-N 0 0 302.131 3.580 50 0 DHAARN Cc1cc(C)c(=O)c(OC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000000441188 563615179 /nfs/dbraw/zinc/61/51/79/563615179.db2.gz PDPAMMYSJLPRNL-UHFFFAOYSA-N 0 0 302.757 3.845 50 0 biogenic DHAARN CS[C@H]1CC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000080847684 563617849 /nfs/dbraw/zinc/61/78/49/563617849.db2.gz HYCMOAINJBBGBA-ONGXEEELSA-N 0 0 303.880 3.734 50 0 DHAARN CS[C@@H]1CC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000080847681 563618035 /nfs/dbraw/zinc/61/80/35/563618035.db2.gz HYCMOAINJBBGBA-GXSJLCMTSA-N 0 0 303.880 3.734 50 0 DHAARN Cc1cccnc1NC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000046613805 563618527 /nfs/dbraw/zinc/61/85/27/563618527.db2.gz PJSVQCOTOJOCDB-LLVKDONJSA-N 0 0 321.327 3.874 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C ZINC000003225086 563622081 /nfs/dbraw/zinc/62/20/81/563622081.db2.gz FJVIKHQVODJBRK-UHFFFAOYSA-N 0 0 317.772 3.752 50 0 DHAARN COc1ccc(CC(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 ZINC000005529437 563623572 /nfs/dbraw/zinc/62/35/72/563623572.db2.gz LYERCXIKQAAZPX-ZDUSSCGKSA-N 0 0 313.372 3.745 50 0 DHAARN S=C(NCc1cccnc1)Nc1cccc(Cl)c1Cl ZINC000003119311 563624345 /nfs/dbraw/zinc/62/43/45/563624345.db2.gz SZSSRCXOVBJWCE-UHFFFAOYSA-N 0 0 312.225 3.875 50 0 DHAARN CCCc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 ZINC000005597725 563624354 /nfs/dbraw/zinc/62/43/54/563624354.db2.gz JVPFIAXHARQKJK-UHFFFAOYSA-N 0 0 323.845 3.771 50 0 DHAARN C[C@H]1C[C@H](C(=O)Nc2sccc2C(=O)C(C)(C)C)CCO1 ZINC000271986484 563624386 /nfs/dbraw/zinc/62/43/86/563624386.db2.gz PJRIVHDLPIGUCL-WDEREUQCSA-N 0 0 309.431 3.731 50 0 DHAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Cl)cc1C ZINC000007305119 563625338 /nfs/dbraw/zinc/62/53/38/563625338.db2.gz RGRLUOXCFRADPZ-CYBMUJFWSA-N 0 0 323.845 3.996 50 0 DHAARN Cc1occc1C(=O)Nc1ccccc1NC(=O)c1ccoc1C ZINC000000474873 563625667 /nfs/dbraw/zinc/62/56/67/563625667.db2.gz KVGPOWRCNUQFHY-UHFFFAOYSA-N 0 0 324.336 3.994 50 0 DHAARN CSc1cccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1C ZINC000274243519 563626352 /nfs/dbraw/zinc/62/63/52/563626352.db2.gz XPHRWJXIYPZTDU-HIFRSBDPSA-N 0 0 320.458 3.796 50 0 DHAARN CCN1c2ccc(NC(=O)CCc3ccccc3)cc2CCC1=O ZINC000017289057 563626827 /nfs/dbraw/zinc/62/68/27/563626827.db2.gz BAMVDHLEYHMOFZ-UHFFFAOYSA-N 0 0 322.408 3.557 50 0 DHAARN CCOC(=O)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000240215 563627694 /nfs/dbraw/zinc/62/76/94/563627694.db2.gz DBEBOPPCSHAHAM-LBPRGKRZSA-N 0 0 316.228 3.769 50 0 DHAARN O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1 ZINC000000237461 563628146 /nfs/dbraw/zinc/62/81/46/563628146.db2.gz POPWAZGSPCSDDP-UHFFFAOYSA-N 0 0 312.350 3.846 50 0 DHAARN O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccco1 ZINC000000172794 563628249 /nfs/dbraw/zinc/62/82/49/563628249.db2.gz KPPGSHATHKMNOY-UHFFFAOYSA-N 0 0 312.350 3.846 50 0 aggregator DHAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(C)(C)C ZINC000000155469 563628383 /nfs/dbraw/zinc/62/83/83/563628383.db2.gz RAWGUVGRNRPSDG-UHFFFAOYSA-N 0 0 323.392 3.789 50 0 DHAARN COc1cc(NC(=S)NC2CCCC2)c(OC)cc1Cl ZINC000000467346 563630750 /nfs/dbraw/zinc/63/07/50/563630750.db2.gz SBBYCTGGJVZCMS-UHFFFAOYSA-N 0 0 314.838 3.586 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000461436 563630861 /nfs/dbraw/zinc/63/08/61/563630861.db2.gz DATCMWTYOPUOBV-LBPRGKRZSA-N 0 0 317.772 3.949 50 0 DHAARN CC[C@H](C(=O)Nc1ccsc1C(=O)OC)c1ccccc1 ZINC000000473428 563630943 /nfs/dbraw/zinc/63/09/43/563630943.db2.gz MNLUVYTTZIYEAX-LBPRGKRZSA-N 0 0 303.383 3.667 50 0 DHAARN O=C(Nc1ccc(-c2ccccc2)nn1)N1CC[C@H]2CCCC[C@H]21 ZINC000120296226 563632934 /nfs/dbraw/zinc/63/29/34/563632934.db2.gz IEGRUHAMMRJTGY-NVXWUHKLSA-N 0 0 322.412 3.940 50 0 DHAARN CCCOC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000002899551 563635515 /nfs/dbraw/zinc/63/55/15/563635515.db2.gz OXTPWMNCSBUYIY-UHFFFAOYSA-N 0 0 301.317 3.645 50 0 DHAARN CCCCN1C(=O)[C@@H]2c3ccccc3-c3ccccc3[C@H]2C1=O ZINC000018007783 563637733 /nfs/dbraw/zinc/63/77/33/563637733.db2.gz DLTRGNKMEBJZEF-QZTJIDSGSA-N 0 0 305.377 3.703 50 0 DHAARN O=C(Nc1ccsc1Cl)N1CCC(Cn2cccn2)CC1 ZINC000189325023 563638542 /nfs/dbraw/zinc/63/85/42/563638542.db2.gz WXFJTVDFISURQX-UHFFFAOYSA-N 0 0 324.837 3.542 50 0 DHAARN O=C(c1cnccn1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206878946 563639605 /nfs/dbraw/zinc/63/96/05/563639605.db2.gz ARQGCMIEWRUHSC-AWEZNQCLSA-N 0 0 315.804 3.540 50 0 DHAARN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccnc1 ZINC000008904088 563644932 /nfs/dbraw/zinc/64/49/32/563644932.db2.gz VMTARHPKDIMWLI-UHFFFAOYSA-N 0 0 324.380 3.823 50 0 DHAARN CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccccc1F ZINC000100909425 563646420 /nfs/dbraw/zinc/64/64/20/563646420.db2.gz QTSOICQYFLIATA-MNDPQUGUSA-N 0 0 318.348 3.742 50 0 DHAARN FC(F)(F)C(Oc1ccncc1Br)C(F)(F)F ZINC000169725522 563647749 /nfs/dbraw/zinc/64/77/49/563647749.db2.gz VIOBWBODPMDLRP-UHFFFAOYSA-N 0 0 324.018 3.716 50 0 DHAARN FC(F)(F)c1ccc(Br)cc1N1CCSC1 ZINC000169725685 563647753 /nfs/dbraw/zinc/64/77/53/563647753.db2.gz FKNKZVOROPWIFW-UHFFFAOYSA-N 0 0 312.154 3.979 50 0 DHAARN O[C@H](COC12CC3CC(CC(C3)C1)C2)CSc1ccccn1 ZINC000011692566 563650326 /nfs/dbraw/zinc/65/03/26/563650326.db2.gz GZKQFYRLPUHOSL-QFQXCOSMSA-N 0 0 319.470 3.520 50 0 DHAARN C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4ccccn4)n3)cc21 ZINC000101089582 563650601 /nfs/dbraw/zinc/65/06/01/563650601.db2.gz HSSMDPLMYLYIGW-JTQLQIEISA-N 0 0 307.378 3.928 50 0 DHAARN CCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(C)n1 ZINC000000498683 563651610 /nfs/dbraw/zinc/65/16/10/563651610.db2.gz ZAMWVRWLRXNNFO-UHFFFAOYSA-N 0 0 311.341 3.514 50 0 DHAARN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000012803309 563653473 /nfs/dbraw/zinc/65/34/73/563653473.db2.gz RUDHIKDQGCUTJC-LLVKDONJSA-N 0 0 320.318 3.599 50 0 DHAARN CSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)CCCC1=N2 ZINC000101589138 563656311 /nfs/dbraw/zinc/65/63/11/563656311.db2.gz WAHMAFPGCLVVII-GFCCVEGCSA-N 0 0 318.427 3.733 50 0 DHAARN 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DHAARN O=C(CCSc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000007597825 563716951 /nfs/dbraw/zinc/71/69/51/563716951.db2.gz JDPOWBUKESDQAR-UHFFFAOYSA-N 0 0 319.357 3.675 50 0 DHAARN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccccc1 ZINC000008041285 563718443 /nfs/dbraw/zinc/71/84/43/563718443.db2.gz LDEATQHKFAHJHI-CZUORRHYSA-N 0 0 301.361 3.861 50 0 DHAARN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000055543865 563718612 /nfs/dbraw/zinc/71/86/12/563718612.db2.gz VRZANDREJGEGFC-AWEZNQCLSA-N 0 0 315.335 3.623 50 0 DHAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)NCc1cccs1 ZINC000390828883 563718989 /nfs/dbraw/zinc/71/89/89/563718989.db2.gz CBTBIVSHBIQVJG-GFCCVEGCSA-N 0 0 314.410 3.925 50 0 DHAARN CCc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000008086630 563719065 /nfs/dbraw/zinc/71/90/65/563719065.db2.gz ZDXXUTQPFAZUNS-UHFFFAOYSA-N 0 0 300.358 3.910 50 0 DHAARN O=C(CCc1cnn(-c2ccccc2)c1)NC1CCCCCC1 ZINC000008132189 563719088 /nfs/dbraw/zinc/71/90/88/563719088.db2.gz JDQAMZWSBFJPMY-UHFFFAOYSA-N 0 0 311.429 3.644 50 0 DHAARN Cc1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1 ZINC000008352025 563721809 /nfs/dbraw/zinc/72/18/09/563721809.db2.gz JITIZRUPGZPYSL-UHFFFAOYSA-N 0 0 310.422 3.854 50 0 DHAARN Cc1nn(C)cc1C[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000095975158 563723256 /nfs/dbraw/zinc/72/32/56/563723256.db2.gz BEWAWDWWOOIQQR-UHFFFAOYSA-N 0 0 309.816 3.588 50 0 DHAARN CC(C)c1nc(CC(=O)NCC2(c3ccccc3)CC2)cs1 ZINC000033230905 563724217 /nfs/dbraw/zinc/72/42/17/563724217.db2.gz NSOQWOQFEZSOHC-UHFFFAOYSA-N 0 0 314.454 3.657 50 0 DHAARN CC[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(C)cn1 ZINC000222525329 563726024 /nfs/dbraw/zinc/72/60/24/563726024.db2.gz GBUNNQKDEYAHOP-ZDUSSCGKSA-N 0 0 320.339 3.873 50 0 DHAARN COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1cccs1 ZINC000025328695 563726383 /nfs/dbraw/zinc/72/63/83/563726383.db2.gz GIHQEGMUVBIUKG-OCHBPSSRSA-N 0 0 301.411 3.990 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCCOCc2ccccc2)cn1 ZINC000222622012 563726721 /nfs/dbraw/zinc/72/67/21/563726721.db2.gz NPSOCSRLKGWBDF-MRXNPFEDSA-N 0 0 312.413 3.564 50 0 DHAARN COc1ccc(F)c(F)c1C(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000222699624 563728076 /nfs/dbraw/zinc/72/80/76/563728076.db2.gz VTAPHYAYQHOGAL-CYBMUJFWSA-N 0 0 321.298 3.700 50 0 DHAARN COCC1(CNC(=O)[C@@H](c2ccccc2)C(C)C)CCCC1 ZINC000222930067 563729062 /nfs/dbraw/zinc/72/90/62/563729062.db2.gz STHPEUYXWBDHEP-QGZVFWFLSA-N 0 0 303.446 3.749 50 0 DHAARN CC(=O)c1cccc(C(=O)N(C)Cc2cccc3cnccc32)c1 ZINC000223011453 563730453 /nfs/dbraw/zinc/73/04/53/563730453.db2.gz RLWUGUPJJDLKDA-UHFFFAOYSA-N 0 0 318.376 3.710 50 0 DHAARN C[C@@H](NC(=O)c1cccc2c1ccn2C)c1nc2ccccc2[nH]1 ZINC000223225397 563732340 /nfs/dbraw/zinc/73/23/40/563732340.db2.gz GFTJKTCNIBWSTO-GFCCVEGCSA-N 0 0 318.380 3.546 50 0 DHAARN CC[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1ncccc1C ZINC000223449545 563733907 /nfs/dbraw/zinc/73/39/07/563733907.db2.gz ZLLXZQJAEPHHNZ-HNNXBMFYSA-N 0 0 320.795 3.993 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000027862823 563740475 /nfs/dbraw/zinc/74/04/75/563740475.db2.gz GMKMABCDDIEAFN-DZGCQCFKSA-N 0 0 324.346 3.948 50 0 DHAARN Cn1c(C(=O)O[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc2ccccc21 ZINC000225397045 563753916 /nfs/dbraw/zinc/75/39/16/563753916.db2.gz YRFVRSDQNMWAOS-RRQGHBQHSA-N 0 0 313.397 3.539 50 0 DHAARN C[C@@H](C(=O)[O-])[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000225454328 563756070 /nfs/dbraw/zinc/75/60/70/563756070.db2.gz FZSAESFQZYRTES-JTQLQIEISA-N 0 0 316.228 3.721 50 0 DHAARN O=C(c1cnccn1)N1CCCc2cc(-c3ccccc3)ccc21 ZINC000225475057 563756679 /nfs/dbraw/zinc/75/66/79/563756679.db2.gz LRPOEPOSJLEHNJ-UHFFFAOYSA-N 0 0 315.376 3.737 50 0 DHAARN COc1ccc2nc(C)cc(C(=O)O[C@@]3(C)CCSC3)c2c1 ZINC000225688904 563759121 /nfs/dbraw/zinc/75/91/21/563759121.db2.gz TUQVUXSMZFNUSX-KRWDZBQOSA-N 0 0 317.410 3.604 50 0 DHAARN CCOc1ccc([C@@H]2CC(c3ccc(C)o3)=NN2C(C)=O)cc1 ZINC000096191643 563760080 /nfs/dbraw/zinc/76/00/80/563760080.db2.gz KXCOFPGYIYLCAG-KRWDZBQOSA-N 0 0 312.369 3.684 50 0 DHAARN O=C(NC1CCCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012390894 563769722 /nfs/dbraw/zinc/76/97/22/563769722.db2.gz 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563776149 /nfs/dbraw/zinc/77/61/49/563776149.db2.gz VJRPJNBJMCEWNR-WQAKAFBOSA-N 0 0 311.303 3.631 50 0 DHAARN CCNC(=O)c1cccc(CNc2ccnc3c(F)cccc23)c1 ZINC000240423831 563776523 /nfs/dbraw/zinc/77/65/23/563776523.db2.gz FRHBNHZVFDYJPB-UHFFFAOYSA-N 0 0 323.371 3.736 50 0 DHAARN CC(C)c1cc(C(=O)N2CCCC[C@@H]3CCCC[C@@H]32)nn1C ZINC000242273726 563777832 /nfs/dbraw/zinc/77/78/32/563777832.db2.gz YFKYDXCBLVQIDV-HOCLYGCPSA-N 0 0 303.450 3.728 50 0 DHAARN CC(C)c1cc(C(=O)N2CCCC[C@H]3CCCC[C@@H]32)nn1C ZINC000242273727 563777962 /nfs/dbraw/zinc/77/79/62/563777962.db2.gz YFKYDXCBLVQIDV-ZBFHGGJFSA-N 0 0 303.450 3.728 50 0 DHAARN Cc1nc2ccc(-c3noc([C@H]4CCO[C@H](C)C4)n3)cc2s1 ZINC000241923258 563778197 /nfs/dbraw/zinc/77/81/97/563778197.db2.gz UEHCKUPUBHFDIM-SKDRFNHKSA-N 0 0 315.398 3.937 50 0 DHAARN Cc1[nH]nc(NC(=O)C(C)(C)COCc2ccccc2)c1Cl ZINC000242346989 563778487 /nfs/dbraw/zinc/77/84/87/563778487.db2.gz ZKVPQRFFDLJKCL-UHFFFAOYSA-N 0 0 321.808 3.553 50 0 DHAARN CC[C@@H](NC(=O)Cc1nc(C)sc1C)c1nc(C)c(C)s1 ZINC000244882909 563779680 /nfs/dbraw/zinc/77/96/80/563779680.db2.gz YBJTVJVVFPJXFT-GFCCVEGCSA-N 0 0 323.487 3.643 50 0 DHAARN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CNC(=S)Nc1ccccc1 ZINC000245240971 563780474 /nfs/dbraw/zinc/78/04/74/563780474.db2.gz VTDKMGFGTDCAQQ-SUNYJGFJSA-N 0 0 316.470 3.614 50 0 DHAARN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000008168304 563781585 /nfs/dbraw/zinc/78/15/85/563781585.db2.gz YPDIMPLHIPRAIH-UHFFFAOYSA-N 0 0 315.847 3.531 50 0 DHAARN Cc1cc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000074039317 563783349 /nfs/dbraw/zinc/78/33/49/563783349.db2.gz HVXPQTZGCORGNE-VIFPVBQESA-N 0 0 313.184 3.710 50 0 DHAARN Cc1nc(CN2CCC[C@H](C(=O)c3cccs3)C2)cs1 ZINC000252479808 563783911 /nfs/dbraw/zinc/78/39/11/563783911.db2.gz BMZMPNQZDUWTNZ-LBPRGKRZSA-N 0 0 306.456 3.608 50 0 DHAARN CCC(=O)Nc1ccc2c(c1)-c1cc(NC(=O)CC)ccc1C2 ZINC000001010586 563787415 /nfs/dbraw/zinc/78/74/15/563787415.db2.gz GYTWAKCBRFGACP-UHFFFAOYSA-N 0 0 308.381 3.955 50 0 DHAARN Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000001011126 563787703 /nfs/dbraw/zinc/78/77/03/563787703.db2.gz OSSIVBMZRQBUME-RIYZIHGNSA-N 0 0 317.341 3.964 50 0 DHAARN Cc1nccn1-c1ccc(CNc2nc3ccccc3s2)cn1 ZINC000052510410 563788040 /nfs/dbraw/zinc/78/80/40/563788040.db2.gz KTNXETVJNKTMIR-UHFFFAOYSA-N 0 0 321.409 3.798 50 0 DHAARN C[C@H](NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccco1 ZINC000025464891 563788990 /nfs/dbraw/zinc/78/89/90/563788990.db2.gz WNRIATDDXRPINN-JTQLQIEISA-N 0 0 315.760 3.814 50 0 DHAARN CCN1C(=O)S/C(=C\c2cccc(C(F)(F)F)c2)C1=O ZINC000001134979 563789195 /nfs/dbraw/zinc/78/91/95/563789195.db2.gz PAUOXUWKRPHKNM-YFHOEESVSA-N 0 0 301.289 3.762 50 0 DHAARN CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012486888 563796656 /nfs/dbraw/zinc/79/66/56/563796656.db2.gz XNMOSXDRAVXOCH-UHFFFAOYSA-N 0 0 323.421 3.582 50 0 DHAARN C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccn1 ZINC000012516182 563796932 /nfs/dbraw/zinc/79/69/32/563796932.db2.gz OJZKIFOGHPTZEM-SNVBAGLBSA-N 0 0 309.196 3.808 50 0 DHAARN OCCCNc1nc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000001910693 563796973 /nfs/dbraw/zinc/79/69/73/563796973.db2.gz SBCATFKGMJXOFQ-UHFFFAOYSA-N 0 0 313.788 3.745 50 0 DHAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccccn3)ccc2c1 ZINC000012526917 563797819 /nfs/dbraw/zinc/79/78/19/563797819.db2.gz LRGQEYWHJDHISB-CYBMUJFWSA-N 0 0 306.365 3.986 50 0 DHAARN COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)c(C)cc1C ZINC000012527961 563798193 /nfs/dbraw/zinc/79/81/93/563798193.db2.gz BWMWWUSZKYMTMS-IBGZPJMESA-N 0 0 324.424 3.825 50 0 DHAARN O=C(Nc1cccc(C(=O)Nc2cccnc2)c1)c1cccs1 ZINC000012533165 563798377 /nfs/dbraw/zinc/79/83/77/563798377.db2.gz BYXJPMZBMRIJSD-UHFFFAOYSA-N 0 0 323.377 3.648 50 0 DHAARN C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@H](C)O1 ZINC000012536333 563799212 /nfs/dbraw/zinc/79/92/12/563799212.db2.gz GURQSQVNVBEDBZ-GJZGRUSLSA-N 0 0 310.397 3.680 50 0 DHAARN CCCCC[C@@H](C)NC(=O)CSc1ncc2ccccn21 ZINC000012550062 563800695 /nfs/dbraw/zinc/80/06/95/563800695.db2.gz ZLCHGBHBKYZISO-CYBMUJFWSA-N 0 0 305.447 3.511 50 0 DHAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(F)c3)ccc2o1 ZINC000012554337 563800900 /nfs/dbraw/zinc/80/09/00/563800900.db2.gz HEJKRCOWQRBXGK-SNVBAGLBSA-N 0 0 313.332 3.714 50 0 DHAARN CC(=O)Nc1ccc(C(=O)[C@@H](C)Nc2cccc(C)c2C)cc1 ZINC000012554859 563801340 /nfs/dbraw/zinc/80/13/40/563801340.db2.gz GSXGSACQXJDKTF-CQSZACIVSA-N 0 0 310.397 3.945 50 0 DHAARN Cc1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1C ZINC000012592682 563802707 /nfs/dbraw/zinc/80/27/07/563802707.db2.gz RYNRRMXPKPJIFI-GFCCVEGCSA-N 0 0 303.793 3.791 50 0 DHAARN Cc1cccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000012615891 563803563 /nfs/dbraw/zinc/80/35/63/563803563.db2.gz OXYGNEIFRGOALH-UHFFFAOYSA-N 0 0 314.816 3.611 50 0 DHAARN CC(C)(C(=O)NC1(Cc2ccc(Cl)cc2)CC1)n1cccc1 ZINC000299761690 563805069 /nfs/dbraw/zinc/80/50/69/563805069.db2.gz YOFQKSUCTBGEFI-UHFFFAOYSA-N 0 0 316.832 3.768 50 0 DHAARN C[C@@]1(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)CCCCO1 ZINC000299776058 563805706 /nfs/dbraw/zinc/80/57/06/563805706.db2.gz MVINBOLHINMULU-SFHVURJKSA-N 0 0 317.360 3.661 50 0 DHAARN CCCc1nc(C)c(CNC(=O)Nc2ccc(OC)cc2)s1 ZINC000299782417 563805923 /nfs/dbraw/zinc/80/59/23/563805923.db2.gz NAOPODQMRUBTJX-UHFFFAOYSA-N 0 0 319.430 3.734 50 0 DHAARN CCc1nc(C)sc1CNC(=O)Nc1ccnn1[C@H](C)CC ZINC000299796907 563806318 /nfs/dbraw/zinc/80/63/18/563806318.db2.gz NWKWDGYFQXDMTO-SNVBAGLBSA-N 0 0 321.450 3.503 50 0 DHAARN CCC[C@H](C(=O)N(C)Cc1cc(C(C)C)no1)n1cccc1 ZINC000299785719 563806388 /nfs/dbraw/zinc/80/63/88/563806388.db2.gz LKGHVTSHLBPXNR-MRXNPFEDSA-N 0 0 303.406 3.599 50 0 DHAARN Cc1c2[nH]cnc2cc(NC(=O)N2CCCCCCC2)c1C ZINC000299791952 563806601 /nfs/dbraw/zinc/80/66/01/563806601.db2.gz DRUBGXDGCKSJLQ-UHFFFAOYSA-N 0 0 300.406 3.978 50 0 DHAARN Cc1nnc(CN2CCC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000299801022 563806985 /nfs/dbraw/zinc/80/69/85/563806985.db2.gz WYGHNQIHSGLSDM-CYBMUJFWSA-N 0 0 307.850 3.880 50 0 DHAARN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000012621401 563807432 /nfs/dbraw/zinc/80/74/32/563807432.db2.gz RQMUKPKZZSHPIL-LBPRGKRZSA-N 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YOZINJIWEXIGLO-OAHLLOKOSA-N 0 0 319.368 3.503 50 0 DHAARN CCCc1nnc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000301672892 563811384 /nfs/dbraw/zinc/81/13/84/563811384.db2.gz OZOVLFIKZVIKFA-LBPRGKRZSA-N 0 0 320.437 3.568 50 0 DHAARN CCc1noc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)n1 ZINC000083830514 563812758 /nfs/dbraw/zinc/81/27/58/563812758.db2.gz KBIPKHOHFIQBAT-LBPRGKRZSA-N 0 0 320.462 3.592 50 0 DHAARN CN(C(=O)c1ncoc1[C@@H]1CCCO1)C1CCCCCCC1 ZINC000083855645 563813525 /nfs/dbraw/zinc/81/35/25/563813525.db2.gz METKSBZIRDSQRH-AWEZNQCLSA-N 0 0 306.406 3.711 50 0 DHAARN COc1cccc(-c2cc(COC(=O)c3cccs3)no2)c1 ZINC000012726228 563813928 /nfs/dbraw/zinc/81/39/28/563813928.db2.gz IYZXSLYFAOEBCX-UHFFFAOYSA-N 0 0 315.350 3.769 50 0 DHAARN COc1ccc(Cc2nc(C(=O)Nc3ccccc3)cs2)cc1 ZINC000001384036 563814433 /nfs/dbraw/zinc/81/44/33/563814433.db2.gz NWAXSOCVFBVESY-UHFFFAOYSA-N 0 0 324.405 3.995 50 0 DHAARN COC(=O)N[C@H](Sc1ccc(C)cc1)C(=O)c1ccccc1 ZINC000028467691 563814484 /nfs/dbraw/zinc/81/44/84/563814484.db2.gz XQVIHQPEHLIEMY-MRXNPFEDSA-N 0 0 315.394 3.652 50 0 DHAARN CN1CCN(Cc2cc(-c3ccccc3)no2)c2ccccc21 ZINC000083881738 563814585 /nfs/dbraw/zinc/81/45/85/563814585.db2.gz CHLLDQJHFGOTKV-UHFFFAOYSA-N 0 0 305.381 3.798 50 0 DHAARN CN(C)c1cc(CSc2ccccc2)nc(-c2cccnc2)n1 ZINC000001383074 563814671 /nfs/dbraw/zinc/81/46/71/563814671.db2.gz DMPVTZITRGXFLB-UHFFFAOYSA-N 0 0 322.437 3.897 50 0 DHAARN CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000294295345 563814698 /nfs/dbraw/zinc/81/46/98/563814698.db2.gz VXUPYJUAUQPCQP-JQHSSLGASA-N 0 0 317.429 3.692 50 0 DHAARN CCOC(=O)[C@H](C)Sc1ncc(-c2cccc(Cl)c2)cn1 ZINC000001397672 563818166 /nfs/dbraw/zinc/81/81/66/563818166.db2.gz DSHQBGBKAJRFHI-JTQLQIEISA-N 0 0 322.817 3.841 50 0 DHAARN Cc1ccnn1-c1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC000053082351 563820041 /nfs/dbraw/zinc/82/00/41/563820041.db2.gz MWTYPKNGGUXLIR-LJQANCHMSA-N 0 0 317.392 3.768 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)CCc2cc(F)ccc2F)on1 ZINC000053088766 563820262 /nfs/dbraw/zinc/82/02/62/563820262.db2.gz BHIYSRVEXAANDU-OAHLLOKOSA-N 0 0 320.339 3.558 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000084027056 563820986 /nfs/dbraw/zinc/82/09/86/563820986.db2.gz PGKPBUTYNWOXTB-KBPBESRZSA-N 0 0 323.348 3.599 50 0 DHAARN O=C(CCC1CCCC1)Nc1ccn(Cc2ccc(F)cc2)n1 ZINC000027915843 563821245 /nfs/dbraw/zinc/82/12/45/563821245.db2.gz ZUARTEZQAKSSMI-UHFFFAOYSA-N 0 0 315.392 3.979 50 0 DHAARN Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1ccccn1 ZINC000084013699 563821322 /nfs/dbraw/zinc/82/13/22/563821322.db2.gz RLSVKBMTQAMQRN-UHFFFAOYSA-N 0 0 312.348 3.667 50 0 DHAARN Cc1cc([C@H](C)NC(=O)[C@H](c2ccccc2)n2cccn2)c(C)o1 ZINC000084081609 563821654 /nfs/dbraw/zinc/82/16/54/563821654.db2.gz QSIXXMMLRYMUKO-KSSFIOAISA-N 0 0 323.396 3.560 50 0 DHAARN Cc1cc(N[C@@H](C)CC(C)(C)c2ccccc2)n2ncnc2n1 ZINC000084109953 563822957 /nfs/dbraw/zinc/82/29/57/563822957.db2.gz NZCXTGLGFLVZTK-AWEZNQCLSA-N 0 0 309.417 3.601 50 0 DHAARN CC[C@@H](NC(=O)N[C@H](C)c1cc(C)oc1C)c1ccncc1 ZINC000073900654 563823966 /nfs/dbraw/zinc/82/39/66/563823966.db2.gz BOIAEJCKSFDMFB-MLGOLLRUSA-N 0 0 301.390 3.803 50 0 DHAARN CC(C)(C)OC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 ZINC000084240867 563825350 /nfs/dbraw/zinc/82/53/50/563825350.db2.gz LUTAQPRZPPVKOB-AWEZNQCLSA-N 0 0 317.410 3.561 50 0 DHAARN CN(Cc1ccncc1)C(=O)Nc1cc(-n2cccc2)ccc1F ZINC000073983250 563826981 /nfs/dbraw/zinc/82/69/81/563826981.db2.gz ADQDGLRNDKXRPC-UHFFFAOYSA-N 0 0 324.359 3.675 50 0 DHAARN Clc1ccc(-c2nc(CSC[C@H]3CCCO3)no2)cc1 ZINC000084421722 563827028 /nfs/dbraw/zinc/82/70/28/563827028.db2.gz DUNHNAJCXIVPKZ-GFCCVEGCSA-N 0 0 310.806 3.802 50 0 DHAARN O=C(NCc1ccc(-c2ccccc2)o1)[C@@H]1C[C@@H]1c1ccco1 ZINC000084562703 563827740 /nfs/dbraw/zinc/82/77/40/563827740.db2.gz OSSRJIQUNQOCDX-JKSUJKDBSA-N 0 0 307.349 3.960 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCC(=Cc2ccccc2)CC1 ZINC000084525637 563827771 /nfs/dbraw/zinc/82/77/71/563827771.db2.gz BQSJLHZLUXZJAJ-UHFFFAOYSA-N 0 0 308.381 3.872 50 0 DHAARN O=C(NCc1ccccn1)Nc1cc(-c2ccco2)ccc1F ZINC000084610066 563828147 /nfs/dbraw/zinc/82/81/47/563828147.db2.gz TXKQFHYMORRSHG-UHFFFAOYSA-N 0 0 311.316 3.802 50 0 DHAARN C[C@H](c1ccc(F)cc1F)N1CC[C@H](Oc2ccccn2)C1 ZINC000084651670 563828861 /nfs/dbraw/zinc/82/88/61/563828861.db2.gz VBQICRSCMJRHQC-OCCSQVGLSA-N 0 0 304.340 3.574 50 0 DHAARN C[C@@H](C(=O)NCc1cccs1)N(C)Cc1cccc(Cl)c1 ZINC000012774866 563828911 /nfs/dbraw/zinc/82/89/11/563828911.db2.gz NXHFZTQRGPJCJS-LBPRGKRZSA-N 0 0 322.861 3.538 50 0 DHAARN CCCCN1CCc2ccc(NC(=O)CCc3cccnc3)cc21 ZINC000084744478 563830516 /nfs/dbraw/zinc/83/05/16/563830516.db2.gz LUGUNLUJORKEQW-UHFFFAOYSA-N 0 0 323.440 3.816 50 0 DHAARN CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)OC)cc1 ZINC000084736539 563830524 /nfs/dbraw/zinc/83/05/24/563830524.db2.gz GDUZLRGBXVZFNG-GOSISDBHSA-N 0 0 323.392 3.623 50 0 DHAARN Cc1ccsc1[C@H](Cc1ccccc1)NCc1nnc(C)o1 ZINC000184956328 563831944 /nfs/dbraw/zinc/83/19/44/563831944.db2.gz MXUOSJORVCVXRU-HNNXBMFYSA-N 0 0 313.426 3.822 50 0 DHAARN Cc1ncc(C[S@](=O)[C@@H](C)c2ncc(C(C)(C)C)o2)s1 ZINC000085225323 563834628 /nfs/dbraw/zinc/83/46/28/563834628.db2.gz RGILLMGDOWZJGD-GWNMQOMSSA-N 0 0 312.460 3.747 50 0 DHAARN Nc1c(Cl)cccc1C(=O)OCc1nc2ccccc2s1 ZINC000012808045 563834984 /nfs/dbraw/zinc/83/49/84/563834984.db2.gz TVQLDTLUPSDDKV-UHFFFAOYSA-N 0 0 318.785 3.889 50 0 DHAARN Cc1cc(=O)oc2cc(NC(=S)N3CCC[C@@H](C)C3)ccc12 ZINC000001459381 563836625 /nfs/dbraw/zinc/83/66/25/563836625.db2.gz MSBWYWCPQLRZOO-LLVKDONJSA-N 0 0 316.426 3.530 50 0 DHAARN CC(C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000012382832 563837217 /nfs/dbraw/zinc/83/72/17/563837217.db2.gz GZIMWRHBHBPOIB-UHFFFAOYSA-N 0 0 310.426 3.889 50 0 DHAARN C[C@H]1CN(Cc2cc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 ZINC000012815071 563837255 /nfs/dbraw/zinc/83/72/55/563837255.db2.gz SHFQSGPVQDPOCZ-RYUDHWBXSA-N 0 0 306.793 3.604 50 0 DHAARN O=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc(F)cc1 ZINC000085472004 563838221 /nfs/dbraw/zinc/83/82/21/563838221.db2.gz XLMIUZGERCIENP-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN Cc1nc(-c2ccc(NC(=O)NCc3ccccn3)cc2)cs1 ZINC000053249767 563839089 /nfs/dbraw/zinc/83/90/89/563839089.db2.gz XDACXZZBOLYIOU-UHFFFAOYSA-N 0 0 324.409 3.835 50 0 DHAARN CCO[C@H](CCNC(=O)c1cc(-c2ccccc2)no1)C(C)C ZINC000074292615 563839305 /nfs/dbraw/zinc/83/93/05/563839305.db2.gz DDHSVDIQQGOVNB-MRXNPFEDSA-N 0 0 316.401 3.523 50 0 DHAARN CC(C)Cc1nsc(N[C@@H](CCCO)c2ccccc2)n1 ZINC000185467221 563839327 /nfs/dbraw/zinc/83/93/27/563839327.db2.gz RULCULHGUBEQPE-AWEZNQCLSA-N 0 0 305.447 3.662 50 0 DHAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)cc(F)c1 ZINC000012820587 563840143 /nfs/dbraw/zinc/84/01/43/563840143.db2.gz GVYIPGAHYOVSDJ-VXGBXAGGSA-N 0 0 307.262 3.816 50 0 DHAARN COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000000433609 563842434 /nfs/dbraw/zinc/84/24/34/563842434.db2.gz FKZNRKCPMRUCGH-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN COc1ccc(NC(=O)c2sccc2C)cc1OC(F)F ZINC000012855600 563844780 /nfs/dbraw/zinc/84/47/80/563844780.db2.gz AKYVPYXZSMKJRI-UHFFFAOYSA-N 0 0 313.325 3.919 50 0 DHAARN COc1cccc(CNC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000012870167 563846821 /nfs/dbraw/zinc/84/68/21/563846821.db2.gz JBKNMUHYRIGHSB-GOSISDBHSA-N 0 0 310.397 3.646 50 0 DHAARN CSc1ccc(NC(=O)Oc2cccc(OC(C)=O)c2)cc1 ZINC000000399717 563846829 /nfs/dbraw/zinc/84/68/29/563846829.db2.gz KKNDXLKYVAWLAE-UHFFFAOYSA-N 0 0 317.366 3.945 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000012878962 563850702 /nfs/dbraw/zinc/85/07/02/563850702.db2.gz HFAHXYGPWNEARM-SJKOYZFVSA-N 0 0 315.800 3.911 50 0 DHAARN COc1ccc(C(=O)Nc2cccc3ncccc32)cc1OC ZINC000006170730 563851127 /nfs/dbraw/zinc/85/11/27/563851127.db2.gz IDDDTFAGPWHHKG-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN O=C(CCC1CCCCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012880922 563851625 /nfs/dbraw/zinc/85/16/25/563851625.db2.gz OUMLNDRQJJYPIX-UHFFFAOYSA-N 0 0 314.429 3.878 50 0 DHAARN CCC(CC)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000012885586 563852441 /nfs/dbraw/zinc/85/24/41/563852441.db2.gz JWMQQRFPNQCPDT-JTQLQIEISA-N 0 0 313.239 3.998 50 0 DHAARN CCC(CC)NC(=O)N[C@H](C)c1ccccc1Br ZINC000012885593 563852697 /nfs/dbraw/zinc/85/26/97/563852697.db2.gz JWMQQRFPNQCPDT-SNVBAGLBSA-N 0 0 313.239 3.998 50 0 DHAARN O=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000012884396 563852722 /nfs/dbraw/zinc/85/27/22/563852722.db2.gz DQLLCRFCELLOCM-GOSISDBHSA-N 0 0 315.800 3.986 50 0 DHAARN O=c1oc2ccccc2n1CCOc1ccc(Cl)cc1Cl ZINC000012894289 563852791 /nfs/dbraw/zinc/85/27/91/563852791.db2.gz NMFIMZUWFSUSQK-UHFFFAOYSA-N 0 0 324.163 3.980 50 0 DHAARN O=C(Cc1cccs1)N(c1cccc(F)c1)C1CCOCC1 ZINC000150944889 563853404 /nfs/dbraw/zinc/85/34/04/563853404.db2.gz WHCYNMALLMLJCZ-UHFFFAOYSA-N 0 0 319.401 3.642 50 0 DHAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1Cc2ccccc2O1 ZINC000012910968 563853762 /nfs/dbraw/zinc/85/37/62/563853762.db2.gz VCCYBFMFWLGKIJ-CQSZACIVSA-N 0 0 323.270 3.527 50 0 DHAARN Cc1nn(C)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000002798954 563855323 /nfs/dbraw/zinc/85/53/23/563855323.db2.gz GDZHRHCWQCZBSX-UHFFFAOYSA-N 0 0 314.336 3.556 50 0 DHAARN COc1ccc(C)cc1C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000075107308 563859697 /nfs/dbraw/zinc/85/96/97/563859697.db2.gz CFARNYQIQHYBHP-QGZVFWFLSA-N 0 0 312.413 3.568 50 0 DHAARN Cc1c(C(=O)NC[C@@]2(C)CCCO2)oc2c1c(C)ccc2C ZINC000075110806 563860101 /nfs/dbraw/zinc/86/01/01/563860101.db2.gz JHLUXFPLQJTISC-GOSISDBHSA-N 0 0 301.386 3.657 50 0 DHAARN O=C(Nc1ccc(Br)cc1F)N1C[C@@H]2CCC[C@@H]21 ZINC000075110192 563860275 /nfs/dbraw/zinc/86/02/75/563860275.db2.gz NXFNZAGHQTVHKC-UFBFGSQYSA-N 0 0 313.170 3.604 50 0 DHAARN Cc1cccc(C)c1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000075144376 563860876 /nfs/dbraw/zinc/86/08/76/563860876.db2.gz XKMWXJGPVWUGOP-UHFFFAOYSA-N 0 0 322.408 3.792 50 0 DHAARN CCOc1ccc(NC(=O)N[C@H](C)c2nccs2)cc1C ZINC000075133467 563860901 /nfs/dbraw/zinc/86/09/01/563860901.db2.gz LZDJJHFFJRLTFQ-LLVKDONJSA-N 0 0 305.403 3.733 50 0 DHAARN O=C(Cc1ccc(F)cc1)N1CCC(c2cccs2)CC1 ZINC000075157014 563861122 /nfs/dbraw/zinc/86/11/22/563861122.db2.gz WYIXHQBFLZIBBB-UHFFFAOYSA-N 0 0 303.402 3.836 50 0 DHAARN 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DHAARN C[C@H]1CCN(C(=O)CCCc2ccccn2)[C@@H](c2ccco2)C1 ZINC000075389784 563865547 /nfs/dbraw/zinc/86/55/47/563865547.db2.gz ZHFTYFBDCNZZJC-DOTOQJQBSA-N 0 0 312.413 3.997 50 0 DHAARN CC(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000002460940 563866154 /nfs/dbraw/zinc/86/61/54/563866154.db2.gz WEIAJSSTMHJTLE-UHFFFAOYSA-N 0 0 315.461 3.787 50 0 DHAARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21CC ZINC000000968375 563866855 /nfs/dbraw/zinc/86/68/55/563866855.db2.gz WWYNJERNGUHSAO-PZAQWVNCSA-N 0 0 312.453 3.883 50 0 fda DHAARN Cc1cc(C(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)c(C)o1 ZINC000575614939 563866870 /nfs/dbraw/zinc/86/68/70/563866870.db2.gz AHSVUMJFFVIITK-OAHLLOKOSA-N 0 0 323.396 3.642 50 0 DHAARN C[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000222250329 563869406 /nfs/dbraw/zinc/86/94/06/563869406.db2.gz PNVNXGUXURAUPR-BFYDXBDKSA-N 0 0 311.429 3.636 50 0 DHAARN CC[C@@H](C)NC(=O)c1nnc(-c2oc3c(cccc3C)c2C)o1 ZINC000035503626 563871049 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ZINC000078813686 185113576 /nfs/dbraw/zinc/11/35/76/185113576.db2.gz PGVLDEHWDCLHAV-BBRMVZONSA-N 0 0 315.438 3.972 50 0 DHAARN CCSc1ccccc1C(=O)NCC[C@H](O)c1cccs1 ZINC000077113848 185110066 /nfs/dbraw/zinc/11/00/66/185110066.db2.gz PLBNWKFBVCVURY-ZDUSSCGKSA-N 0 0 321.467 3.714 50 0 DHAARN COc1ccccc1-n1nnnc1SCCCC1CCCC1 ZINC000078965536 185136637 /nfs/dbraw/zinc/13/66/37/185136637.db2.gz PYTPOBCQRYQVDG-UHFFFAOYSA-N 0 0 318.446 3.733 50 0 DHAARN CN(C(=O)Nc1nncs1)C1c2ccccc2-c2ccccc21 ZINC000078991711 185142200 /nfs/dbraw/zinc/14/22/00/185142200.db2.gz KNNVVDQAZUBRDV-UHFFFAOYSA-N 0 0 322.393 3.772 50 0 DHAARN C[C@@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)c1ccccn1 ZINC000079029367 185147664 /nfs/dbraw/zinc/14/76/64/185147664.db2.gz RIMNNGLZQAISBL-OAHLLOKOSA-N 0 0 324.428 3.522 50 0 DHAARN C[C@H]1CCCC[C@H]1OCC(=O)N1CCC(OC2CCCC2)CC1 ZINC000079040066 185148058 /nfs/dbraw/zinc/14/80/58/185148058.db2.gz RRVIUTSZSUFNAX-MAUKXSAKSA-N 0 0 323.477 3.532 50 0 DHAARN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(F)cc1F ZINC000079100255 185158228 /nfs/dbraw/zinc/15/82/28/185158228.db2.gz NJZOVFQJHMBSGM-NSHDSACASA-N 0 0 320.339 3.765 50 0 DHAARN Cc1cccnc1[C@@H](NC(=O)Cc1noc2ccccc12)C(C)C ZINC000079358165 185166939 /nfs/dbraw/zinc/16/69/39/185166939.db2.gz NXFJRDNCWQFFHL-SFHVURJKSA-N 0 0 323.396 3.587 50 0 DHAARN C[C@H](Oc1ccccc1NC(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000079360308 185166988 /nfs/dbraw/zinc/16/69/88/185166988.db2.gz AFBPGPBLZDLZCW-KSSFIOAISA-N 0 0 311.381 3.944 50 0 DHAARN C[C@@H](Oc1ccccc1NC(=O)[C@H]1CCCO1)c1ccccc1 ZINC000079360318 185166991 /nfs/dbraw/zinc/16/69/91/185166991.db2.gz AFBPGPBLZDLZCW-RDTXWAMCSA-N 0 0 311.381 3.944 50 0 DHAARN O=C(c1ncoc1[C@H]1CCCO1)N1CCCC2(CCCCC2)C1 ZINC000079361849 185167194 /nfs/dbraw/zinc/16/71/94/185167194.db2.gz UFQHEUUBJMARCD-CQSZACIVSA-N 0 0 318.417 3.713 50 0 DHAARN COc1ccc(C)cc1/C=C1/N=C(c2cccc(C)c2)OC1=O ZINC000096892160 185390355 /nfs/dbraw/zinc/39/03/55/185390355.db2.gz ZKHKGAAZYXSYRB-LFIBNONCSA-N 0 0 307.349 3.657 50 0 DHAARN OCc1ccc(Cn2cc(-c3ccc4ccccc4c3)nn2)cc1 ZINC000082166342 185174428 /nfs/dbraw/zinc/17/44/28/185174428.db2.gz QHQAMXPNWRBBOK-UHFFFAOYSA-N 0 0 315.376 3.639 50 0 DHAARN COC[C@@H]1CCCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000328589018 231231748 /nfs/dbraw/zinc/23/17/48/231231748.db2.gz XPUQKOJGWFYIOZ-CQSZACIVSA-N 0 0 315.388 3.868 50 0 DHAARN CCSc1nnc(NC(=O)/C=C\Sc2ccccc2)s1 ZINC000096911724 185391190 /nfs/dbraw/zinc/39/11/90/185391190.db2.gz VGXGXEPYJFICEH-HJWRWDBZSA-N 0 0 323.468 3.895 50 0 DHAARN CC(=O)c1csc(NC(=O)C=Cc2cc3ccccc3o2)n1 ZINC000096935588 185392829 /nfs/dbraw/zinc/39/28/29/185392829.db2.gz JAIKAXIDBZFMHE-SREVYHEPSA-N 0 0 312.350 3.744 50 0 DHAARN FC(F)Cn1cc(NCc2cccc(-c3cccnc3)c2)cn1 ZINC000090189659 185286308 /nfs/dbraw/zinc/28/63/08/185286308.db2.gz ABQCOTYXNMORHC-UHFFFAOYSA-N 0 0 314.339 3.822 50 0 DHAARN Cc1cc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c2ccc(F)cc2n1 ZINC000082107575 192356038 /nfs/dbraw/zinc/35/60/38/192356038.db2.gz LEZKMIMCYYAGRQ-OKILXGFUSA-N 0 0 310.372 3.721 50 0 DHAARN CCc1c(C)c2ccc(O[C@H]3CCCCC3=O)cc2oc1=O ZINC000000489638 190614564 /nfs/dbraw/zinc/61/45/64/190614564.db2.gz IZNVGPOGWHWRJT-INIZCTEOSA-N 0 0 300.354 3.554 50 0 biogenic DHAARN CCc1c(C)c2ccc(O[C@H]3CCCCC3=O)c(C)c2oc1=O ZINC000000489392 190614932 /nfs/dbraw/zinc/61/49/32/190614932.db2.gz FUKQFVKPKIBOGB-KRWDZBQOSA-N 0 0 314.381 3.863 50 0 biogenic DHAARN CCOc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000001266915 190615801 /nfs/dbraw/zinc/61/58/01/190615801.db2.gz DJGYCIYOUWDRCL-UHFFFAOYSA-N 0 0 308.381 3.847 50 0 DHAARN CCCN(c1ccc(C)cc1)c1nc(=O)c2cccnc2s1 ZINC000000093472 190610947 /nfs/dbraw/zinc/61/09/47/190610947.db2.gz OQFMRRYLIVXDID-UHFFFAOYSA-N 0 0 311.410 3.908 50 0 DHAARN Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccccc1 ZINC000000339721 190612733 /nfs/dbraw/zinc/61/27/33/190612733.db2.gz XHRAXMKOFVMNDQ-UHFFFAOYSA-N 0 0 306.365 3.623 50 0 DHAARN CCc1nsc(N[C@H](c2nc3ccccc3[nH]2)C(C)C)n1 ZINC000092583683 185326931 /nfs/dbraw/zinc/32/69/31/185326931.db2.gz JNHDLLRWCPITJG-ZDUSSCGKSA-N 0 0 301.419 3.786 50 0 DHAARN CCCc1nc(SC)ncc1C(=O)Nc1ccccc1F ZINC000006938438 190626871 /nfs/dbraw/zinc/62/68/71/190626871.db2.gz BVADPTLRFZLSLO-UHFFFAOYSA-N 0 0 305.378 3.542 50 0 DHAARN Cc1ccc2nc(Nc3ccc(C)c(Cl)c3)c3nnnn3c2c1 ZINC000006941481 190626874 /nfs/dbraw/zinc/62/68/74/190626874.db2.gz IYLCYMRBEMRTIR-UHFFFAOYSA-N 0 0 324.775 3.686 50 0 DHAARN CN(Cn1nc(C=Cc2ccccc2)[nH]c1=S)C1CCCC1 ZINC000096973172 185395175 /nfs/dbraw/zinc/39/51/75/185395175.db2.gz DCSUXFAQMAGWAR-QXMHVHEDSA-N 0 0 314.458 3.943 50 0 DHAARN CCc1ccc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)nc1 ZINC000095391668 185351939 /nfs/dbraw/zinc/35/19/39/185351939.db2.gz JTCZJZZZUUKYGV-SFHVURJKSA-N 0 0 324.424 3.722 50 0 DHAARN CC1(NC(=O)Nc2ccccc2N2CCCC2=O)CCCCC1 ZINC000095397926 185353284 /nfs/dbraw/zinc/35/32/84/185353284.db2.gz KFEABIMHLYEHLY-UHFFFAOYSA-N 0 0 315.417 3.658 50 0 DHAARN c1cc(OC2CCCC2)ccc1OCc1nnc(C2CC2)o1 ZINC000095402944 185354963 /nfs/dbraw/zinc/35/49/63/185354963.db2.gz MWGXIEMWVDVRBT-UHFFFAOYSA-N 0 0 300.358 3.847 50 0 DHAARN C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1ccncc1Cl ZINC000095405212 185355660 /nfs/dbraw/zinc/35/56/60/185355660.db2.gz BQLVTVQLLWJRJA-MEBBXXQBSA-N 0 0 306.818 3.504 50 0 DHAARN CC[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCOC1 ZINC000095407207 185356167 /nfs/dbraw/zinc/35/61/67/185356167.db2.gz VZNZXGQBLLTLOS-DZGCQCFKSA-N 0 0 315.369 3.617 50 0 DHAARN COc1ccc(-c2noc([C@H]3C[C@@H]3c3ccco3)n2)c(OC)c1 ZINC000095396894 185353075 /nfs/dbraw/zinc/35/30/75/185353075.db2.gz OBKOPCPMCCYZIZ-STQMWFEESA-N 0 0 312.325 3.618 50 0 DHAARN O[C@H](C[C@@H]1CCCCCN1c1ncc(Cl)cn1)c1ccco1 ZINC000095413059 185357907 /nfs/dbraw/zinc/35/79/07/185357907.db2.gz HRZUTDOFVHJGGK-UONOGXRCSA-N 0 0 321.808 3.596 50 0 DHAARN O=C(CC1=CCCCC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000095412641 185357924 /nfs/dbraw/zinc/35/79/24/185357924.db2.gz VKVLZCGABVLWFR-CVEARBPZSA-N 0 0 303.402 3.585 50 0 DHAARN CC(=O)c1ccccc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000095427748 185361924 /nfs/dbraw/zinc/36/19/24/185361924.db2.gz JRFVPPSPZCAGHS-KRWDZBQOSA-N 0 0 322.408 3.606 50 0 DHAARN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ncncc1Cl ZINC000095427934 185362078 /nfs/dbraw/zinc/36/20/78/185362078.db2.gz GCBPSWZRRPSZDC-DYEKYZERSA-N 0 0 315.804 3.537 50 0 DHAARN Oc1ccc(Br)c(CNCc2ccc(F)cc2)c1 ZINC000095428169 185362331 /nfs/dbraw/zinc/36/23/31/185362331.db2.gz QVQFUPJPFGOIOS-UHFFFAOYSA-N 0 0 310.166 3.584 50 0 DHAARN O=C(CSc1cccs1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000095430469 185362777 /nfs/dbraw/zinc/36/27/77/185362777.db2.gz FLVQJTJZHSBULD-XOKHGSTOSA-N 0 0 315.463 3.685 50 0 DHAARN C[C@@H]1CCN(C(=O)CCCSC(C)(C)C)C[C@@H]1n1ccnc1 ZINC000095436202 185365015 /nfs/dbraw/zinc/36/50/15/185365015.db2.gz CKIQXHIHUYRKBJ-CABCVRRESA-N 0 0 323.506 3.605 50 0 DHAARN CCS[C@@H]1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000097009921 185396757 /nfs/dbraw/zinc/39/67/57/185396757.db2.gz FNKUWKAHQFSFBK-HYXCCBOESA-N 0 0 307.503 3.993 50 0 DHAARN Cc1ccc(SC2(CNC(=O)[C@@H]3CCOC3)CCCC2)cc1 ZINC000097012503 185396860 /nfs/dbraw/zinc/39/68/60/185396860.db2.gz JTKJSYWHEXGBFR-OAHLLOKOSA-N 0 0 319.470 3.553 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1 ZINC000095444909 185367369 /nfs/dbraw/zinc/36/73/69/185367369.db2.gz DZARSJGLVKICQH-UHFFFAOYSA-N 0 0 308.259 3.555 50 0 DHAARN CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000095447213 185367983 /nfs/dbraw/zinc/36/79/83/185367983.db2.gz ULVNSUXJPIOVAR-BETUJISGSA-N 0 0 323.387 3.515 50 0 DHAARN CC(C)Oc1ccc(NCc2ccc([S@](C)=O)cc2)c(F)c1 ZINC000095448772 185368444 /nfs/dbraw/zinc/36/84/44/185368444.db2.gz HIBDRDSGUBZRDP-JOCHJYFZSA-N 0 0 321.417 3.962 50 0 DHAARN Cc1cccc(C2(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)CCCC2)c1 ZINC000095451514 185368883 /nfs/dbraw/zinc/36/88/83/185368883.db2.gz ZGDJAIGVFHYRGS-HZPDHXFCSA-N 0 0 313.441 3.886 50 0 DHAARN CSc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccn1 ZINC000095452238 185369253 /nfs/dbraw/zinc/36/92/53/185369253.db2.gz CROYRJXMQAMTBO-KGLIPLIRSA-N 0 0 302.374 3.685 50 0 DHAARN CC1(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CCC1 ZINC000095437795 185365516 /nfs/dbraw/zinc/36/55/16/185365516.db2.gz OJQPOLILRRYHGD-UHFFFAOYSA-N 0 0 318.804 3.986 50 0 DHAARN C[C@H](NC(=O)Nc1cn(C)nc1-c1ccccc1)c1ccccc1 ZINC000095460770 185370934 /nfs/dbraw/zinc/37/09/34/185370934.db2.gz ZEIXZLMFFNIMCV-AWEZNQCLSA-N 0 0 320.396 3.970 50 0 DHAARN CC[C@@H](c1ccc(F)cc1F)[S@@](=O)Cc1nccn1CC ZINC000097013126 185396985 /nfs/dbraw/zinc/39/69/85/185396985.db2.gz UCXHXUMXYDAAPF-LHSJRXKWSA-N 0 0 312.385 3.581 50 0 DHAARN C[C@H](C1CC1)N(C)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000097014698 185397351 /nfs/dbraw/zinc/39/73/51/185397351.db2.gz ZYWZJZWIKXFLBN-SECBINFHSA-N 0 0 322.257 3.554 50 0 DHAARN COc1ccc(CN(C)Cc2csc(C)n2)cc1SC ZINC000097032598 185399338 /nfs/dbraw/zinc/39/93/38/185399338.db2.gz ANCNFBIMYMMTTH-UHFFFAOYSA-N 0 0 308.472 3.814 50 0 DHAARN Cc1nc(-c2cccc(N[C@H](C)CSCC(C)C)c2)n[nH]1 ZINC000097038178 185401315 /nfs/dbraw/zinc/40/13/15/185401315.db2.gz ZUQMFCRLNYMHQA-GFCCVEGCSA-N 0 0 304.463 3.970 50 0 DHAARN c1cn(C[C@H]2CCCO2)nc1-c1cccc(-c2cccnc2)c1 ZINC000023214774 190648695 /nfs/dbraw/zinc/64/86/95/190648695.db2.gz OVQLDOWGEQPARB-GOSISDBHSA-N 0 0 305.381 3.791 50 0 DHAARN C[C@@H]1CCCN(C(=O)CSc2nncs2)c2ccccc21 ZINC000097112049 185411973 /nfs/dbraw/zinc/41/19/73/185411973.db2.gz AXMBAQVLEFNNJT-LLVKDONJSA-N 0 0 319.455 3.561 50 0 DHAARN CCOCc1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1OC ZINC000027027732 190653799 /nfs/dbraw/zinc/65/37/99/190653799.db2.gz GJHFRJIAGSJPMZ-UHFFFAOYSA-N 0 0 321.323 3.762 50 0 DHAARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)C1CC1 ZINC000025595130 190652398 /nfs/dbraw/zinc/65/23/98/190652398.db2.gz ZGBSKIQQCSIMQH-NSHDSACASA-N 0 0 318.804 3.842 50 0 DHAARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccccc2F)C1 ZINC000102928721 185426527 /nfs/dbraw/zinc/42/65/27/185426527.db2.gz SEEPNGFCRNRONX-OAHLLOKOSA-N 0 0 312.348 3.725 50 0 DHAARN O=C(CSc1ccncc1)N[C@H]1CCSc2ccccc21 ZINC000032340142 190658592 /nfs/dbraw/zinc/65/85/92/190658592.db2.gz XHGLCIRVTBYBRQ-AWEZNQCLSA-N 0 0 316.451 3.527 50 0 DHAARN Cc1ccc([C@H]2CC(C3CCCCC3)=NN2S(C)(=O)=O)cc1 ZINC000225781129 201745572 /nfs/dbraw/zinc/74/55/72/201745572.db2.gz GMMMKXIYWCWSND-QGZVFWFLSA-N 0 0 320.458 3.638 50 0 DHAARN Cc1nc(C[S@@](=O)Cc2c(F)cccc2Cl)oc1C ZINC000170593972 197781821 /nfs/dbraw/zinc/78/18/21/197781821.db2.gz VOSRTKHVJWGDBC-IBGZPJMESA-N 0 0 301.770 3.533 50 0 DHAARN O=C(COCc1ccccc1)Nc1cccc(-n2cccc2)c1 ZINC000170593994 197782580 /nfs/dbraw/zinc/78/25/80/197782580.db2.gz ZNHKIBRHFNRRTD-UHFFFAOYSA-N 0 0 306.365 3.633 50 0 DHAARN O=C(NCCc1ccc(O)cc1)Nc1ccccc1C(F)(F)F ZINC000064641816 190703433 /nfs/dbraw/zinc/70/34/33/190703433.db2.gz JJKZGKDJGDJXEI-UHFFFAOYSA-N 0 0 324.302 3.775 50 0 DHAARN CCn1cnc2ccc(-c3noc(Cc4ccc(F)cc4)n3)cc21 ZINC000064759505 190704918 /nfs/dbraw/zinc/70/49/18/190704918.db2.gz WLSQCNJHRCNNLK-UHFFFAOYSA-N 0 0 322.343 3.836 50 0 DHAARN O=C(Nc1ccccc1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818550 190705450 /nfs/dbraw/zinc/70/54/50/190705450.db2.gz DCPUZRRXEMWVQP-UHFFFAOYSA-N 0 0 306.369 3.799 50 0 DHAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818519 190705645 /nfs/dbraw/zinc/70/56/45/190705645.db2.gz OXVTVINAAKXUGX-UHFFFAOYSA-N 0 0 324.359 3.938 50 0 DHAARN COc1ccccc1C(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153184 190707263 /nfs/dbraw/zinc/70/72/63/190707263.db2.gz KWYRYFKXQMTYPU-UHFFFAOYSA-N 0 0 300.339 3.664 50 0 DHAARN Cc1ccnc(NC(=O)CCCn2cc(-c3ccccc3)cn2)c1 ZINC000227165325 201794714 /nfs/dbraw/zinc/79/47/14/201794714.db2.gz RIBJBBHYAPFIAV-UHFFFAOYSA-N 0 0 320.396 3.672 50 0 DHAARN Clc1c(Br)cccc1I ZINC000067799974 190722208 /nfs/dbraw/zinc/72/22/08/190722208.db2.gz BLVSQFGBMQMIRS-UHFFFAOYSA-N 0 0 317.351 3.707 50 0 DHAARN Oc1cccc(-c2cn(Cc3ccc4sccc4c3)nn2)c1 ZINC000067884075 190731327 /nfs/dbraw/zinc/73/13/27/190731327.db2.gz JXTKQVODOKWOQI-UHFFFAOYSA-N 0 0 307.378 3.914 50 0 DHAARN Cc1ccc(-c2noc(C[S@@](=O)CC3CCCCC3)n2)cc1 ZINC000069847290 190828504 /nfs/dbraw/zinc/82/85/04/190828504.db2.gz DWAHXLFWXJJFTK-JOCHJYFZSA-N 0 0 318.442 3.874 50 0 DHAARN COc1cccc(-c2nsc(C(=O)c3ccc(C)cc3)n2)c1 ZINC000080345964 192150488 /nfs/dbraw/zinc/15/04/88/192150488.db2.gz ZZKRUOCMQDPXQG-UHFFFAOYSA-N 0 0 310.378 3.753 50 0 DHAARN COc1cc(C(=O)N(C)Cc2cccs2)cc2occc21 ZINC000071195341 190939571 /nfs/dbraw/zinc/93/95/71/190939571.db2.gz NYUNDWNWKZAZIK-UHFFFAOYSA-N 0 0 301.367 3.775 50 0 DHAARN CO[C@H](C(=O)Nc1cc(C(C)=O)ccc1Cl)c1ccccc1 ZINC000083843707 192386087 /nfs/dbraw/zinc/38/60/87/192386087.db2.gz GAIBZBGKYZZIPQ-INIZCTEOSA-N 0 0 317.772 3.869 50 0 DHAARN Cc1ncsc1C(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000084065587 192399344 /nfs/dbraw/zinc/39/93/44/192399344.db2.gz SYEJSVQTEMKSFH-GFCCVEGCSA-N 0 0 314.332 3.827 50 0 DHAARN Cc1nc(C)c(CNC(=O)Nc2nc(C(C)C)cs2)s1 ZINC000084062470 192399406 /nfs/dbraw/zinc/39/94/06/192399406.db2.gz ITLSBABJEACESZ-UHFFFAOYSA-N 0 0 310.448 3.662 50 0 DHAARN Cc1ccccc1C1CCN(C(=O)NCCc2ccccn2)CC1 ZINC000084235530 192415354 /nfs/dbraw/zinc/41/53/54/192415354.db2.gz UPVFQYGJTOAEAK-UHFFFAOYSA-N 0 0 323.440 3.522 50 0 DHAARN 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/nfs/dbraw/zinc/73/22/34/180732234.db2.gz VWPZQMBEIQDTMV-UHFFFAOYSA-N 0 0 310.191 3.734 50 0 DHAARN CCOCC(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1 ZINC000072621641 191204076 /nfs/dbraw/zinc/20/40/76/191204076.db2.gz BUVXYZHAXCAUIR-UHFFFAOYSA-N 0 0 315.398 3.575 50 0 DHAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1Cl ZINC000000288024 180748674 /nfs/dbraw/zinc/74/86/74/180748674.db2.gz VEERMTYTFQOMPI-ZROIWOOFSA-N 0 0 301.704 3.824 50 0 DHAARN COc1cc(CNc2ccc(F)c(Cl)c2)cc(OC)c1O ZINC000000279837 180745784 /nfs/dbraw/zinc/74/57/84/180745784.db2.gz SAUVDFKRZCDTEC-UHFFFAOYSA-N 0 0 311.740 3.814 50 0 DHAARN CCCc1cc(=O)oc2cc(O[C@@H](C)C(C)=O)c(Cl)cc12 ZINC000000315379 180757089 /nfs/dbraw/zinc/75/70/89/180757089.db2.gz JGQUCUXRVIQYLC-JTQLQIEISA-N 0 0 308.761 3.755 50 0 DHAARN Cc1c(OC(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000000305172 180753447 /nfs/dbraw/zinc/75/34/47/180753447.db2.gz GYQULRXCPPRGRV-UHFFFAOYSA-N 0 0 320.344 3.809 50 0 DHAARN CCNc1ccccc1C(=O)OCC(=O)c1ccc(C)c(C)c1 ZINC000000319014 180758586 /nfs/dbraw/zinc/75/85/86/180758586.db2.gz WQCGLICSIFUUKT-UHFFFAOYSA-N 0 0 311.381 3.775 50 0 DHAARN Cc1cccc(OCc2nn3c(nnc3-c3ccccc3)s2)c1 ZINC000000383134 180772895 /nfs/dbraw/zinc/77/28/95/180772895.db2.gz SSQTYKDKKIDZPX-UHFFFAOYSA-N 0 0 322.393 3.740 50 0 DHAARN Cc1ccccc1OCC(=O)Nc1ccccc1Br ZINC000000349225 180763542 /nfs/dbraw/zinc/76/35/42/180763542.db2.gz BBHKUPKOUFLCTB-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN CC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1 ZINC000000358768 180765617 /nfs/dbraw/zinc/76/56/17/180765617.db2.gz BATSTTRUTGXKOS-UHFFFAOYSA-N 0 0 303.745 3.560 50 0 DHAARN CCOc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000000407508 180778685 /nfs/dbraw/zinc/77/86/85/180778685.db2.gz PWQRKGCGFFRIBE-UHFFFAOYSA-N 0 0 315.760 3.867 50 0 DHAARN CCN(CC)C(=O)Nc1ccc(C)c(NC(=O)N(CC)CC)c1 ZINC000000395000 180776413 /nfs/dbraw/zinc/77/64/13/180776413.db2.gz NHQLXARPLGATNF-UHFFFAOYSA-N 0 0 320.437 3.742 50 0 DHAARN CCOC(=O)Nc1cccc2c(NC(=O)OCC)cccc12 ZINC000000398053 180776894 /nfs/dbraw/zinc/77/68/94/180776894.db2.gz UBDCNFBBUHMLQO-UHFFFAOYSA-N 0 0 302.330 3.977 50 0 DHAARN COc1ccc(/C=C2\N=C(C3CCCCC3)OC2=O)c(OC)c1 ZINC000000430495 180788315 /nfs/dbraw/zinc/78/83/15/180788315.db2.gz UFZCTGWFNIXMBT-GDNBJRDFSA-N 0 0 315.369 3.580 50 0 DHAARN CCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O ZINC000000430148 180788371 /nfs/dbraw/zinc/78/83/71/180788371.db2.gz HPDFRBFEIIKLLO-VBKFSLOCSA-N 0 0 307.349 3.738 50 0 DHAARN Cn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 ZINC000000422562 180784204 /nfs/dbraw/zinc/78/42/04/180784204.db2.gz JBQZUWRANPOBRO-UHFFFAOYSA-N 0 0 316.817 3.823 50 0 DHAARN Clc1cccc(Cl)c1Cn1nnc(-c2ccccc2)n1 ZINC000000459595 180797158 /nfs/dbraw/zinc/79/71/58/180797158.db2.gz ZJHWAGADJIFYBK-UHFFFAOYSA-N 0 0 305.168 3.695 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000000442572 180792605 /nfs/dbraw/zinc/79/26/05/180792605.db2.gz GLXOPPIXYVUGTB-HNNXBMFYSA-N 0 0 311.381 3.996 50 0 DHAARN Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc3ccccc32)c1 ZINC000000449564 180794661 /nfs/dbraw/zinc/79/46/61/180794661.db2.gz SCAJYLSHWUAYGA-MRXNPFEDSA-N 0 0 324.424 3.908 50 0 DHAARN Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000000452058 180795468 /nfs/dbraw/zinc/79/54/68/180795468.db2.gz CHJVNSHYEBYJOD-UHFFFAOYSA-N 0 0 302.374 3.569 50 0 DHAARN Cc1sc(NC(=O)c2cccnc2)c(C(=O)OC(C)C)c1C ZINC000000476554 180803146 /nfs/dbraw/zinc/80/31/46/180803146.db2.gz UYCHMUZVIFSFOV-UHFFFAOYSA-N 0 0 318.398 3.577 50 0 DHAARN COc1cc(NC(=S)NCCC(C)C)c(OC)cc1Cl ZINC000000477721 180803957 /nfs/dbraw/zinc/80/39/57/180803957.db2.gz UZFXYEHRNAZWQO-UHFFFAOYSA-N 0 0 316.854 3.690 50 0 DHAARN C[C@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000000483240 180804461 /nfs/dbraw/zinc/80/44/61/180804461.db2.gz GBBHOHINGZDKIB-LZGFCCKTSA-N 0 0 308.219 3.721 50 0 DHAARN COc1cc(C(=O)Nc2c(C)cccc2C)cc(OC)c1OC ZINC000000482643 180804790 /nfs/dbraw/zinc/80/47/90/180804790.db2.gz AUXMHPFDZWXPIF-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN COc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000000486262 180806010 /nfs/dbraw/zinc/80/60/10/180806010.db2.gz JQUQHMQGJLAGBU-UHFFFAOYSA-N 0 0 309.369 3.541 50 0 biogenic,in-vitro DHAARN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C)c1 ZINC000000545792 180818292 /nfs/dbraw/zinc/81/82/92/180818292.db2.gz BZEUXNBPAOLZAS-UHFFFAOYSA-N 0 0 322.364 3.824 50 0 DHAARN Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccccc1 ZINC000000549670 180818947 /nfs/dbraw/zinc/81/89/47/180818947.db2.gz CKVVEHZTXSHCLB-UHFFFAOYSA-N 0 0 305.377 3.784 50 0 DHAARN O=C(COc1ccc(Cl)cc1Cl)NC1CCCCC1 ZINC000000587261 180826465 /nfs/dbraw/zinc/82/64/65/180826465.db2.gz JLYPQPRHDIOWMN-UHFFFAOYSA-N 0 0 302.201 3.821 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccncc1 ZINC000000611006 180827797 /nfs/dbraw/zinc/82/77/97/180827797.db2.gz MNSKNBLSUKAVPG-JTQLQIEISA-N 0 0 305.765 3.626 50 0 DHAARN CC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000000807247 180834202 /nfs/dbraw/zinc/83/42/02/180834202.db2.gz FJWMGEOEGQZUKG-KBPBESRZSA-N 0 0 312.413 3.633 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1 ZINC000000815096 180834858 /nfs/dbraw/zinc/83/48/58/180834858.db2.gz RMBXMJOACBFGCW-UHFFFAOYSA-N 0 0 318.376 3.849 50 0 DHAARN CCOc1cc([C@@H]2Nc3ccccc3-c3cc(C)nn32)ccc1O ZINC000000817667 180835338 /nfs/dbraw/zinc/83/53/38/180835338.db2.gz MUNCPRGRSOFVHR-LJQANCHMSA-N 0 0 321.380 3.935 50 0 DHAARN CC[C@H](Sc1ncccn1)C(=O)Nc1c(C)cccc1C ZINC000000619974 180831119 /nfs/dbraw/zinc/83/11/19/180831119.db2.gz LIYUAFKYDNJJGR-ZDUSSCGKSA-N 0 0 301.415 3.603 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2)s1)Nc1ccc(F)cc1 ZINC000001299291 180854051 /nfs/dbraw/zinc/85/40/51/180854051.db2.gz UBOGOGNSOJWIAN-UHFFFAOYSA-N 0 0 314.345 3.988 50 0 DHAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(C)(C)C ZINC000001069405 180845382 /nfs/dbraw/zinc/84/53/82/180845382.db2.gz DUUCAQFEIQKUDC-UHFFFAOYSA-N 0 0 301.390 3.520 50 0 DHAARN CCOc1ccccc1[C@H]1CC(c2cccs2)=NN1C(C)=O ZINC000001077279 180845915 /nfs/dbraw/zinc/84/59/15/180845915.db2.gz ZWKUDUQSNHMOHO-OAHLLOKOSA-N 0 0 314.410 3.844 50 0 DHAARN Cc1ccccc1OCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000001261719 180851901 /nfs/dbraw/zinc/85/19/01/180851901.db2.gz WQAWDMXRKJTFAM-UHFFFAOYSA-N 0 0 316.357 3.761 50 0 DHAARN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C)c(C)c3)CC2=O)cc1 ZINC000001461461 180868653 /nfs/dbraw/zinc/86/86/53/180868653.db2.gz YJAIIISZRGOVCK-MRXNPFEDSA-N 0 0 323.392 3.570 50 0 DHAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000001808004 180897238 /nfs/dbraw/zinc/89/72/38/180897238.db2.gz DDBNOCZZMJUNNX-UHFFFAOYSA-N 0 0 301.317 3.645 50 0 DHAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000001887404 180900695 /nfs/dbraw/zinc/90/06/95/180900695.db2.gz IBXVTKHQWODPLR-SFHVURJKSA-N 0 0 317.344 3.560 50 0 DHAARN COC(=O)c1sc2ncnc(Nc3ccc(C)cc3)c2c1C ZINC000001892841 180901008 /nfs/dbraw/zinc/90/10/08/180901008.db2.gz APWDRRKYWDHTKG-UHFFFAOYSA-N 0 0 313.382 3.838 50 0 DHAARN COc1cc2c(cc1OC)/C(=C/c1ccccc1C)C(=O)OC2 ZINC000002158897 180912892 /nfs/dbraw/zinc/91/28/92/180912892.db2.gz UCWCUQFXVIXLPE-PXNMLYILSA-N 0 0 310.349 3.610 50 0 biogenic DHAARN CCCOc1ccccc1/C=C1\N=C(c2cccs2)OC1=O ZINC000002259448 180917102 /nfs/dbraw/zinc/91/71/02/180917102.db2.gz ZOGDQWPSCFDKRQ-QBFSEMIESA-N 0 0 313.378 3.881 50 0 DHAARN CCCCc1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000002298702 180918521 /nfs/dbraw/zinc/91/85/21/180918521.db2.gz XXHYTWXIZXOQKI-UHFFFAOYSA-N 0 0 308.381 3.737 50 0 DHAARN CCc1cnc(NC(=O)N[C@H]2CCc3cc(F)ccc32)s1 ZINC000174220474 198307523 /nfs/dbraw/zinc/30/75/23/198307523.db2.gz XGVPCNIEIAQRGW-ZDUSSCGKSA-N 0 0 305.378 3.654 50 0 DHAARN C[C@H](NC(=O)NC(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000002478856 180926223 /nfs/dbraw/zinc/92/62/23/180926223.db2.gz HKPXXXXTNPOBAD-ZETCQYMHSA-N 0 0 314.229 3.540 50 0 DHAARN NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002360457 180921220 /nfs/dbraw/zinc/92/12/20/180921220.db2.gz NDZSAMXYBKTOOC-UHFFFAOYSA-N 0 0 319.238 3.694 50 0 DHAARN O=C(Nc1cccc2cccnc21)C(=O)c1c[nH]c2ccccc12 ZINC000002543381 180934030 /nfs/dbraw/zinc/93/40/30/180934030.db2.gz FMFHAOSZZKQHSE-UHFFFAOYSA-N 0 0 315.332 3.538 50 0 DHAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000002774419 180955261 /nfs/dbraw/zinc/95/52/61/180955261.db2.gz LPSYBSXWCLSWJC-JKSUJKDBSA-N 0 0 309.365 3.606 50 0 DHAARN Cc1nn(C)cc1CNC(=O)c1sc2ccccc2c1Cl ZINC000002754674 180952631 /nfs/dbraw/zinc/95/26/31/180952631.db2.gz LFADFWHFMCMYSY-UHFFFAOYSA-N 0 0 319.817 3.527 50 0 DHAARN CCCC[C@H](CC)CNC(=O)c1cc2ccccc2oc1=O ZINC000002773036 180954309 /nfs/dbraw/zinc/95/43/09/180954309.db2.gz SKJOBAINQQNMIQ-ZDUSSCGKSA-N 0 0 301.386 3.739 50 0 DHAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)NC1CCCCC1 ZINC000002821354 180961144 /nfs/dbraw/zinc/96/11/44/180961144.db2.gz PPYAPWIGPKXOQI-UHFFFAOYSA-N 0 0 308.250 3.836 50 0 DHAARN CCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000002844649 180962949 /nfs/dbraw/zinc/96/29/49/180962949.db2.gz PXEBLRXMMZXMAM-LGMDPLHJSA-N 0 0 307.349 3.820 50 0 DHAARN O=C(/C=C/c1ccccc1Cl)NCc1nc2ccccc2[nH]1 ZINC000002886615 180967740 /nfs/dbraw/zinc/96/77/40/180967740.db2.gz KRBIMNHTRXGOPD-MDZDMXLPSA-N 0 0 311.772 3.546 50 0 DHAARN CCN(CC)C(=S)SCC(=O)c1ccc(Cl)cc1 ZINC000002988685 180974724 /nfs/dbraw/zinc/97/47/24/180974724.db2.gz HGKZHYKIJOKQNI-UHFFFAOYSA-N 0 0 301.864 3.883 50 0 DHAARN Cc1ccc(N[P@@](C)(=O)c2nc3c(s2)CCCC3)cc1 ZINC000003174752 180988940 /nfs/dbraw/zinc/98/89/40/180988940.db2.gz QDNCSFTXOWZNGX-IBGZPJMESA-N 0 0 306.371 3.976 50 0 DHAARN Cc1ccc(NC(=S)N(N)Cc2ccccc2)cc1Cl ZINC000003270518 180998808 /nfs/dbraw/zinc/99/88/08/180998808.db2.gz YFMNZWHOLKFKSJ-UHFFFAOYSA-N 0 0 305.834 3.721 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000003240779 180995106 /nfs/dbraw/zinc/99/51/06/180995106.db2.gz WXLRFPFDASKFFY-LBPRGKRZSA-N 0 0 318.756 3.533 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccco1 ZINC000003258216 180997573 /nfs/dbraw/zinc/99/75/73/180997573.db2.gz IDMBIPWSBSAPMY-AWEZNQCLSA-N 0 0 303.427 3.650 50 0 DHAARN Cc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2s1 ZINC000003326401 181005389 /nfs/dbraw/zinc/00/53/89/181005389.db2.gz ZIEDBHZANPUQSY-UHFFFAOYSA-N 0 0 322.386 3.545 50 0 DHAARN CSc1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000003328041 181006174 /nfs/dbraw/zinc/00/61/74/181006174.db2.gz IUUWCEPAYPMPHQ-UHFFFAOYSA-N 0 0 318.417 3.618 50 0 DHAARN O=C(CSc1cccc[n+]1[O-])c1cc(Cl)ccc1Cl ZINC000003298084 181001398 /nfs/dbraw/zinc/00/13/98/181001398.db2.gz HUIHHEDROAMPLV-UHFFFAOYSA-N 0 0 314.193 3.602 50 0 DHAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2o1 ZINC000003301801 181002279 /nfs/dbraw/zinc/00/22/79/181002279.db2.gz UZXNCRXUCPHCIJ-RYUDHWBXSA-N 0 0 304.415 3.709 50 0 DHAARN c1cn2cc(CSc3nnc(-c4ccccc4)o3)nc2s1 ZINC000003306880 181002572 /nfs/dbraw/zinc/00/25/72/181002572.db2.gz HKQGGJVGZUFBJJ-UHFFFAOYSA-N 0 0 314.395 3.738 50 0 DHAARN CC[C@H]1CCCCN1CC(=O)c1cccc(Br)c1 ZINC000003306544 181002606 /nfs/dbraw/zinc/00/26/06/181002606.db2.gz TYXFDSRSRHYHDQ-AWEZNQCLSA-N 0 0 310.235 3.896 50 0 DHAARN CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000003369052 181011998 /nfs/dbraw/zinc/01/19/98/181011998.db2.gz ZVFBLGBDGQPBLB-UHFFFAOYSA-N 0 0 319.386 3.805 50 0 DHAARN COc1cccc(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000003388563 181014443 /nfs/dbraw/zinc/01/44/43/181014443.db2.gz MVXXXWSECZUNBK-SNVBAGLBSA-N 0 0 318.364 3.666 50 0 DHAARN COc1ccc2c(CN3c4ccccc4C[C@H]3C)cc(=O)oc2c1 ZINC000003337309 181007962 /nfs/dbraw/zinc/00/79/62/181007962.db2.gz KIIZTMJVRDABMV-CYBMUJFWSA-N 0 0 321.376 3.753 50 0 DHAARN COc1cc(C=O)ccc1OC(=O)c1csc2c1CCCC2 ZINC000003346354 181008892 /nfs/dbraw/zinc/00/88/92/181008892.db2.gz YEGCVYZFRBFXOK-UHFFFAOYSA-N 0 0 316.378 3.667 50 0 DHAARN O=C(CN(Cc1ccco1)Cc1cccs1)c1ccc[nH]1 ZINC000003342610 181009313 /nfs/dbraw/zinc/00/93/13/181009313.db2.gz UYNBLCIVAJGAHJ-UHFFFAOYSA-N 0 0 300.383 3.554 50 0 DHAARN CN(C)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000003349232 181010019 /nfs/dbraw/zinc/01/00/19/181010019.db2.gz JJFAALDVPCMGFY-UHFFFAOYSA-N 0 0 304.777 3.632 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)/C=C/c3cccs3)ccc12 ZINC000003360042 181011654 /nfs/dbraw/zinc/01/16/54/181011654.db2.gz SAVBNHDMKAZTSF-FNORWQNLSA-N 0 0 312.346 3.782 50 0 DHAARN 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MCYPLIPKBLVWHJ-CQSZACIVSA-N 0 0 314.801 3.947 50 0 DHAARN CCn1cc(Cl)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000004652473 181132185 /nfs/dbraw/zinc/13/21/85/181132185.db2.gz BWIMJAPUAZVERW-UHFFFAOYSA-N 0 0 321.852 3.597 50 0 DHAARN CC(C)(C)CC(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000004696302 181138471 /nfs/dbraw/zinc/13/84/71/181138471.db2.gz RGLLISPMZSPZGB-UHFFFAOYSA-N 0 0 303.431 3.698 50 0 DHAARN Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccco1 ZINC000004677365 181135220 /nfs/dbraw/zinc/13/52/20/181135220.db2.gz OLSMZQWSCXONLH-UHFFFAOYSA-N 0 0 307.777 3.717 50 0 DHAARN O=C(Nc1cccc(Cl)c1)c1cc2ccccc2o/c1=N\O ZINC000004674691 181135242 /nfs/dbraw/zinc/13/52/42/181135242.db2.gz CZZHVWKAYFPIIV-MNDPQUGUSA-N 0 0 314.728 3.628 50 0 DHAARN Cc1cccc(Nc2nc(C(=O)N3CCCCC3)cs2)c1 ZINC000004687909 181137061 /nfs/dbraw/zinc/13/70/61/181137061.db2.gz JNDFBFHGUVMZKX-UHFFFAOYSA-N 0 0 301.415 3.821 50 0 DHAARN CCC(=O)Nc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000004740622 181145512 /nfs/dbraw/zinc/14/55/12/181145512.db2.gz LNHYRDHXUPSNQF-OAHLLOKOSA-N 0 0 324.424 3.786 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)c2cc3ccccc3oc2=O)cc1C ZINC000004750265 181148255 /nfs/dbraw/zinc/14/82/55/181148255.db2.gz QDZVIOTYZOQNFK-AWEZNQCLSA-N 0 0 321.376 3.901 50 0 DHAARN CCCc1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)n(C)n1 ZINC000004770127 181149870 /nfs/dbraw/zinc/14/98/70/181149870.db2.gz BAZJHGZLKQUZOV-UHFFFAOYSA-N 0 0 319.408 3.877 50 0 DHAARN CCCCN1C(=O)c2cccc3c(N4CCCC4)ccc(c32)C1=O ZINC000004821003 181156802 /nfs/dbraw/zinc/15/68/02/181156802.db2.gz IMHRTBDASYYYDR-UHFFFAOYSA-N 0 0 322.408 3.836 50 0 DHAARN Cc1c(Cl)cccc1Nc1nc2ccccc2n2cnnc12 ZINC000004823378 181157178 /nfs/dbraw/zinc/15/71/78/181157178.db2.gz JMHZIGQLYBFKMB-UHFFFAOYSA-N 0 0 309.760 3.983 50 0 DHAARN COc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1OC ZINC000004828022 181158078 /nfs/dbraw/zinc/15/80/78/181158078.db2.gz IDBNKLNCVZZZCQ-CSKARUKUSA-N 0 0 324.336 3.630 50 0 biogenic DHAARN CCCC(=O)n1nc(-c2ccc(C)cc2)nc1NCc1ccco1 ZINC000004829010 181158253 /nfs/dbraw/zinc/15/82/53/181158253.db2.gz CZSONDMLXXHHQT-UHFFFAOYSA-N 0 0 324.384 3.899 50 0 DHAARN COc1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1Cl ZINC000004840919 181160557 /nfs/dbraw/zinc/16/05/57/181160557.db2.gz PGBRLCIPYFVADU-UHFFFAOYSA-N 0 0 319.744 3.526 50 0 DHAARN Cc1ccc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004833222 181159227 /nfs/dbraw/zinc/15/92/27/181159227.db2.gz MFHFYTKJEOSXLM-KMYSJOAASA-N 0 0 313.441 3.847 50 0 DHAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)NC(C)(C)C)cc1 ZINC000004854520 181163982 /nfs/dbraw/zinc/16/39/82/181163982.db2.gz JTNZRIYAGXLBIT-QGZVFWFLSA-N 0 0 311.429 3.710 50 0 DHAARN Cc1cc(Cl)cc(Br)c1OCCn1ccnc1 ZINC000004841490 181161372 /nfs/dbraw/zinc/16/13/72/181161372.db2.gz OETXXBDBRLDIBQ-UHFFFAOYSA-N 0 0 315.598 3.686 50 0 DHAARN NC(=O)c1oc2ccccc2c1NC(=O)CCC1CCCCC1 ZINC000004851886 181163152 /nfs/dbraw/zinc/16/31/52/181163152.db2.gz BPWXQKHVLOOLHY-UHFFFAOYSA-N 0 0 314.385 3.831 50 0 DHAARN Cc1ccc2cccc(OCCOc3ccccc3C=O)c2n1 ZINC000004865990 181165260 /nfs/dbraw/zinc/16/52/60/181165260.db2.gz FZFCMQPVMRHEER-UHFFFAOYSA-N 0 0 307.349 3.814 50 0 DHAARN CCCOC(=O)c1c2c(sc1NC(=O)OC)CCCCC2 ZINC000004893176 181169352 /nfs/dbraw/zinc/16/93/52/181169352.db2.gz YWIGJLJWBLDJMA-UHFFFAOYSA-N 0 0 311.403 3.762 50 0 DHAARN CCc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1 ZINC000004894853 181169389 /nfs/dbraw/zinc/16/93/89/181169389.db2.gz VATBPWSZQKLHPW-UHFFFAOYSA-N 0 0 323.421 3.805 50 0 DHAARN COc1cccc(-c2noc(COc3cc(C)cc(C)c3)n2)c1 ZINC000004866301 181166040 /nfs/dbraw/zinc/16/60/40/181166040.db2.gz GCKYTSMMDQBUHT-UHFFFAOYSA-N 0 0 310.353 3.941 50 0 DHAARN CCC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000004869051 181166403 /nfs/dbraw/zinc/16/64/03/181166403.db2.gz KGBNMNFTDZLHGN-UHFFFAOYSA-N 0 0 313.353 3.571 50 0 DHAARN CC(=O)Oc1cccc(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000004868594 181166450 /nfs/dbraw/zinc/16/64/50/181166450.db2.gz RIVVKRHJFIQQSI-UHFFFAOYSA-N 0 0 303.745 3.826 50 0 DHAARN C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccccc1 ZINC000004870345 181166971 /nfs/dbraw/zinc/16/69/71/181166971.db2.gz AAJCPWWHBNGUCF-LLVKDONJSA-N 0 0 320.186 3.855 50 0 DHAARN C[C@H](Oc1ccccc1Br)C(=O)Nc1ccccc1 ZINC000004870344 181167139 /nfs/dbraw/zinc/16/71/39/181167139.db2.gz AAJCPWWHBNGUCF-NSHDSACASA-N 0 0 320.186 3.855 50 0 DHAARN CC(C)NC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004940300 181176207 /nfs/dbraw/zinc/17/62/07/181176207.db2.gz PPLKMKJZOKDTDT-UHFFFAOYSA-N 0 0 302.805 3.905 50 0 DHAARN CCCn1cnc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000004941590 181176605 /nfs/dbraw/zinc/17/66/05/181176605.db2.gz ODPIXPXSVGIVGB-UHFFFAOYSA-N 0 0 323.396 3.772 50 0 DHAARN O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)C1CCCCC1 ZINC000004950079 181178212 /nfs/dbraw/zinc/17/82/12/181178212.db2.gz NMWRFDMSGMQRQA-UHFFFAOYSA-N 0 0 320.396 3.915 50 0 DHAARN CCc1cccc(C)c1NC(=O)CSc1nc(C)cc(C)n1 ZINC000004954140 181178685 /nfs/dbraw/zinc/17/86/85/181178685.db2.gz NBNDKMFKGBGIKA-UHFFFAOYSA-N 0 0 315.442 3.695 50 0 DHAARN CCSC[C@H]1COC(c2cccn2Cc2ccccc2F)=N1 ZINC000004970659 181181293 /nfs/dbraw/zinc/18/12/93/181181293.db2.gz NZBVHCKYLDWDLK-CQSZACIVSA-N 0 0 318.417 3.574 50 0 DHAARN COc1ccc([C@H]2Cc3c(cnn3-c3ccccc3)C(=O)C2)cc1 ZINC000004992911 181186592 /nfs/dbraw/zinc/18/65/92/181186592.db2.gz CRENPWFPUSBENH-HNNXBMFYSA-N 0 0 318.376 3.794 50 0 DHAARN CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1 ZINC000004994790 181187219 /nfs/dbraw/zinc/18/72/19/181187219.db2.gz RWKWJXNQEQJHMY-UHFFFAOYSA-N 0 0 320.392 3.698 50 0 DHAARN CCn1ccc2cc(CCC(=O)N[C@H](C)c3ccccn3)ccc21 ZINC000075550663 191490642 /nfs/dbraw/zinc/49/06/42/191490642.db2.gz RTWKRVBRCRWCOM-OAHLLOKOSA-N 0 0 321.424 3.866 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)Cc3ccc(F)cc3)c2c1 ZINC000005015690 181191315 /nfs/dbraw/zinc/19/13/15/181191315.db2.gz VOVMISUWWFFWKX-UHFFFAOYSA-N 0 0 310.372 3.517 50 0 biogenic DHAARN CCOc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 ZINC000005021764 181191877 /nfs/dbraw/zinc/19/18/77/181191877.db2.gz IMGALUNBIPGIOW-SQFISAMPSA-N 0 0 318.376 3.740 50 0 DHAARN C[C@@H](Sc1nc2ccccc2[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000005028288 181192599 /nfs/dbraw/zinc/19/25/99/181192599.db2.gz DMYVCCPNKJVRSW-SNVBAGLBSA-N 0 0 322.393 3.653 50 0 DHAARN c1ccc(-c2nnn3c2nc(N2CCCC2)c2ccccc23)cc1 ZINC000005035177 181194737 /nfs/dbraw/zinc/19/47/37/181194737.db2.gz FODYBRXITLGUAK-UHFFFAOYSA-N 0 0 315.380 3.545 50 0 DHAARN C[C@@H](NC(=O)N1CCC2(C1)CCOCC2)c1cccc(Cl)c1 ZINC000076084551 191574627 /nfs/dbraw/zinc/57/46/27/191574627.db2.gz DMTVAQKDRZSGRG-CYBMUJFWSA-N 0 0 322.836 3.613 50 0 DHAARN COc1ccc([C@H]2CN=N[C@@]23CCc2ccccc2C3=O)cc1 ZINC000005069220 181200736 /nfs/dbraw/zinc/20/07/36/181200736.db2.gz VVWPJJSGAWNBNT-MJGOQNOKSA-N 0 0 306.365 3.813 50 0 DHAARN O=C(OCc1csc(-c2ccccc2)n1)c1cccc(O)c1 ZINC000005076631 181201352 /nfs/dbraw/zinc/20/13/52/181201352.db2.gz IOTLGBGXEPFUOX-UHFFFAOYSA-N 0 0 311.362 3.873 50 0 DHAARN O=C(CCc1ccccc1)Nc1ccnn1Cc1ccccc1 ZINC000005089739 181202489 /nfs/dbraw/zinc/20/24/89/181202489.db2.gz FAXXGVORKLZPFN-UHFFFAOYSA-N 0 0 305.381 3.503 50 0 DHAARN Cc1ccccc1[C@H]1CCCN(C(=O)c2cnn3ccccc23)C1 ZINC000077378682 191704232 /nfs/dbraw/zinc/70/42/32/191704232.db2.gz CQHHRNWUJWDFBR-INIZCTEOSA-N 0 0 319.408 3.663 50 0 DHAARN CN(C[C@H]1CCCCO1)C(=O)CCCc1ccc(Cl)cc1 ZINC000077406325 191710434 /nfs/dbraw/zinc/71/04/34/191710434.db2.gz PKQGVFRSTHNMRK-MRXNPFEDSA-N 0 0 309.837 3.690 50 0 DHAARN Cc1csc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n1 ZINC000005101588 181203764 /nfs/dbraw/zinc/20/37/64/181203764.db2.gz PZGAKALAQSOSAK-MNOVXSKESA-N 0 0 324.446 3.949 50 0 DHAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000005126731 181206332 /nfs/dbraw/zinc/20/63/32/181206332.db2.gz LLKKXQFLYVMJBX-UHFFFAOYSA-N 0 0 311.353 3.889 50 0 DHAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000005137381 181208302 /nfs/dbraw/zinc/20/83/02/181208302.db2.gz JGRVLCXOHLUOFQ-UHFFFAOYSA-N 0 0 318.417 3.798 50 0 DHAARN O=c1cc(-c2ccccc2)nc(SCCc2ccccc2)[nH]1 ZINC000005154875 181211162 /nfs/dbraw/zinc/21/11/62/181211162.db2.gz ATXLKFKUPVDOQT-UHFFFAOYSA-N 0 0 308.406 3.772 50 0 DHAARN CCc1ccc(-c2nc(S[C@@H]3CCCCC3=O)n[nH]2)cc1 ZINC000005180273 181213811 /nfs/dbraw/zinc/21/38/11/181213811.db2.gz SCCXYBJKGCAPFF-CQSZACIVSA-N 0 0 301.415 3.638 50 0 DHAARN O=C(NCc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000005192331 181215036 /nfs/dbraw/zinc/21/50/36/181215036.db2.gz HOOXUBICNXCQBO-UHFFFAOYSA-N 0 0 319.286 3.512 50 0 DHAARN CCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000005197847 181215837 /nfs/dbraw/zinc/21/58/37/181215837.db2.gz BLIPVHAPKJIOTQ-UHFFFAOYSA-N 0 0 324.380 3.548 50 0 DHAARN CC(C)c1ccc(-c2csc(CN3CCOCC3)n2)cc1 ZINC000078594693 191890920 /nfs/dbraw/zinc/89/09/20/191890920.db2.gz ZWWWPBWSSOCJRO-UHFFFAOYSA-N 0 0 302.443 3.766 50 0 DHAARN CCCc1cc(-n2ccnc2C)n2ncc(-c3ccccc3)c2n1 ZINC000005207814 181216938 /nfs/dbraw/zinc/21/69/38/181216938.db2.gz VMUYEVCUSJYCBI-UHFFFAOYSA-N 0 0 317.396 3.843 50 0 DHAARN Cc1cc(C)n2c(nnc2SCc2cccc(Cl)c2)n1 ZINC000005213423 181217516 /nfs/dbraw/zinc/21/75/16/181217516.db2.gz BXJPHBGTIJDFPV-UHFFFAOYSA-N 0 0 304.806 3.687 50 0 DHAARN COCCn1cc(NC(=O)Nc2cccc(C)n2)c2ccccc21 ZINC000005266563 181223928 /nfs/dbraw/zinc/22/39/28/181223928.db2.gz RODSFGJOCFQFQG-UHFFFAOYSA-N 0 0 324.384 3.635 50 0 DHAARN CCSc1ccccc1C(=O)Nc1nnc(-c2ccco2)o1 ZINC000005240799 181220255 /nfs/dbraw/zinc/22/02/55/181220255.db2.gz CIYYHVVDCYNZQA-UHFFFAOYSA-N 0 0 315.354 3.694 50 0 DHAARN Cc1c(C(=O)N(C)c2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000005245432 181221033 /nfs/dbraw/zinc/22/10/33/181221033.db2.gz REMNGFYZORPUMY-AWEZNQCLSA-N 0 0 313.397 3.870 50 0 DHAARN CC(C)C(=O)N1CCCc2cc(NC(=O)CC(C)(C)C)ccc21 ZINC000005374035 181235918 /nfs/dbraw/zinc/23/59/18/181235918.db2.gz JGKJZXNYBBLTRF-UHFFFAOYSA-N 0 0 316.445 3.997 50 0 DHAARN O=c1ccc(-c2ccco2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000005387923 181237890 /nfs/dbraw/zinc/23/78/90/181237890.db2.gz IKTSXMZRXKUBLM-UHFFFAOYSA-N 0 0 320.270 3.570 50 0 DHAARN CCc1noc(C)c1C(=O)OCc1nc2ccccc2s1 ZINC000005391288 181238035 /nfs/dbraw/zinc/23/80/35/181238035.db2.gz UQWOOONQVRMJDA-UHFFFAOYSA-N 0 0 302.355 3.512 50 0 DHAARN CCc1nc2ccccc2n1C[C@H](O)COc1c(C)cccc1C ZINC000005386496 181238046 /nfs/dbraw/zinc/23/80/46/181238046.db2.gz URLWDJWMQGWYES-INIZCTEOSA-N 0 0 324.424 3.655 50 0 DHAARN Cc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1 ZINC000005396680 181238866 /nfs/dbraw/zinc/23/88/66/181238866.db2.gz KWJZVASJBYPEHU-UHFFFAOYSA-N 0 0 304.393 3.884 50 0 DHAARN Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000005392712 181238965 /nfs/dbraw/zinc/23/89/65/181238965.db2.gz COBYFWXFIUATQU-UHFFFAOYSA-N 0 0 315.316 3.815 50 0 DHAARN Cc1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2s1 ZINC000005268268 181225121 /nfs/dbraw/zinc/22/51/21/181225121.db2.gz IJWYJBAMQMDCAV-UHFFFAOYSA-N 0 0 300.358 3.925 50 0 DHAARN C[C@H](Sc1nnc(-c2ccco2)n1N)c1ccccc1Cl ZINC000005336023 181230999 /nfs/dbraw/zinc/23/09/99/181230999.db2.gz XDWUXXQCCCUTBN-VIFPVBQESA-N 0 0 320.805 3.759 50 0 DHAARN Cc1ccc(N2C(=O)S[C@H](Nc3cccc(F)c3)C2=O)cc1 ZINC000005346688 181232229 /nfs/dbraw/zinc/23/22/29/181232229.db2.gz JEAYLHDFSQNMES-AWEZNQCLSA-N 0 0 316.357 3.772 50 0 DHAARN Cc1cc(NC(=O)Nc2ccccc2)ccc1N1CCCC1=O ZINC000005440146 181243771 /nfs/dbraw/zinc/24/37/71/181243771.db2.gz BZGGMKIMFOAYKD-UHFFFAOYSA-N 0 0 309.369 3.766 50 0 DHAARN Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc([S@](C)=O)cc1 ZINC000080127814 192004207 /nfs/dbraw/zinc/00/42/07/192004207.db2.gz CTMITDMDXVJUDP-MCMMXHMISA-N 0 0 316.426 3.615 50 0 DHAARN Cc1c(C)c2ccc(OC(=O)c3cccs3)c(C)c2oc1=O ZINC000005548488 181255899 /nfs/dbraw/zinc/25/58/99/181255899.db2.gz ZDFGWNNGZRTQIR-UHFFFAOYSA-N 0 0 314.362 3.999 50 0 DHAARN Cc1ccc(C(C)C)cc1OCC(=O)NCCc1ccccc1 ZINC000005557941 181256914 /nfs/dbraw/zinc/25/69/14/181256914.db2.gz HAGYRYDTIRRCIC-UHFFFAOYSA-N 0 0 311.425 3.856 50 0 DHAARN COc1cc(NC(=O)c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000005577503 181259342 /nfs/dbraw/zinc/25/93/42/181259342.db2.gz ZZUBYQBAXZEINS-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN FC(F)(F)c1cccc(NC(=S)NCc2ccco2)c1 ZINC000005580696 181259503 /nfs/dbraw/zinc/25/95/03/181259503.db2.gz QZRJSRJXPLWMQL-UHFFFAOYSA-N 0 0 300.305 3.785 50 0 DHAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000005628390 181265165 /nfs/dbraw/zinc/26/51/65/181265165.db2.gz CXAGQGOFDYZPTH-SNVBAGLBSA-N 0 0 315.373 3.821 50 0 DHAARN COc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000005611396 181263613 /nfs/dbraw/zinc/26/36/13/181263613.db2.gz XXHYSKINOIYAPL-UHFFFAOYSA-N 0 0 309.287 3.644 50 0 DHAARN Cc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1 ZINC000005636696 181266807 /nfs/dbraw/zinc/26/68/07/181266807.db2.gz JNPKDQLEYJYCFI-UHFFFAOYSA-N 0 0 320.468 3.845 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccncc1 ZINC000005636381 181266907 /nfs/dbraw/zinc/26/69/07/181266907.db2.gz FBJIPQWKOBVVEI-NWDGAFQWSA-N 0 0 300.427 3.759 50 0 DHAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000005639290 181267155 /nfs/dbraw/zinc/26/71/55/181267155.db2.gz WVIQTDLCMKFQJO-GOSISDBHSA-N 0 0 312.344 3.532 50 0 DHAARN CCCCc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 ZINC000005671702 181270189 /nfs/dbraw/zinc/27/01/89/181270189.db2.gz WHHYJWGIKHPKMX-UHFFFAOYSA-N 0 0 300.793 3.999 50 0 DHAARN COc1cc(SC)ccc1C(=O)Nc1cc(F)ccc1F ZINC000005677185 181270678 /nfs/dbraw/zinc/27/06/78/181270678.db2.gz WBDMHNGGSPKFKY-UHFFFAOYSA-N 0 0 309.337 3.948 50 0 DHAARN CCN1C(=S)N=NC1c1sc(-c2ccccc2)nc1C ZINC000005679304 181271496 /nfs/dbraw/zinc/27/14/96/181271496.db2.gz XXTIQGMPSNYHNT-UHFFFAOYSA-N 0 0 302.428 3.686 50 0 DHAARN COc1cc(NC(=O)c2ccc3ccccc3n2)cc(OC)c1 ZINC000005681875 181271794 /nfs/dbraw/zinc/27/17/94/181271794.db2.gz XQXZQDGPONFLJR-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN CC(=O)[C@@H](C)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000005729964 181277560 /nfs/dbraw/zinc/27/75/60/181277560.db2.gz PHMNRRVOPYEBQP-GFCCVEGCSA-N 0 0 324.332 3.522 50 0 biogenic DHAARN N=c1sc2cccc(Cl)c2n1C(=O)COc1ccccc1 ZINC000005737597 181278963 /nfs/dbraw/zinc/27/89/63/181278963.db2.gz QEZRTEJIABLWFO-UHFFFAOYSA-N 0 0 318.785 3.555 50 0 DHAARN Cc1cc(=O)[nH]c2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000005730289 181277997 /nfs/dbraw/zinc/27/79/97/181277997.db2.gz FNROVGRAVMKXBL-UHFFFAOYSA-N 0 0 301.349 3.689 50 0 DHAARN COC(=O)c1ccccc1NC(=S)Nc1ccc(C)cc1 ZINC000005798830 181285250 /nfs/dbraw/zinc/28/52/50/181285250.db2.gz ZYDWUWVCVSYGGW-UHFFFAOYSA-N 0 0 300.383 3.591 50 0 DHAARN O=C(Nc1cccnc1)c1cccc(OCc2ccccc2)c1 ZINC000005799899 181285320 /nfs/dbraw/zinc/28/53/20/181285320.db2.gz YCLQPHNWOGETAR-UHFFFAOYSA-N 0 0 304.349 3.913 50 0 DHAARN O[C@H](CN(Cc1ccccc1)Cc1ccccc1)C(F)(F)F ZINC000005768902 181281964 /nfs/dbraw/zinc/28/19/64/181281964.db2.gz WMHVXNPTZAJEOB-MRXNPFEDSA-N 0 0 309.331 3.612 50 0 DHAARN Cc1nc(CN(CCCO)[C@@H]2CCCc3ccccc32)oc1C ZINC000081535895 192285016 /nfs/dbraw/zinc/28/50/16/192285016.db2.gz RFTXWNLEURNWQW-GOSISDBHSA-N 0 0 314.429 3.553 50 0 DHAARN CC[C@@H](C(=O)NCc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000085557862 192516393 /nfs/dbraw/zinc/51/63/93/192516393.db2.gz PWGZVNILWZBMCM-QGZVFWFLSA-N 0 0 319.408 3.887 50 0 DHAARN COc1ccc(C(=O)Oc2ccc(Cl)cc2C)c(OC)c1 ZINC000005860184 181290652 /nfs/dbraw/zinc/29/06/52/181290652.db2.gz OPEJEPSTWTUZQW-UHFFFAOYSA-N 0 0 306.745 3.885 50 0 DHAARN O=C(COc1ccccc1F)Nc1ccc(Br)cc1 ZINC000005860561 181290472 /nfs/dbraw/zinc/29/04/72/181290472.db2.gz RFEPYXOHNPCZBX-UHFFFAOYSA-N 0 0 324.149 3.606 50 0 DHAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccco1 ZINC000005858248 181290542 /nfs/dbraw/zinc/29/05/42/181290542.db2.gz AVQLFZCIXHNSGO-GFCCVEGCSA-N 0 0 301.342 3.589 50 0 DHAARN CCc1ccccc1NC(=S)Nc1ccccc1C(=O)OC ZINC000005878789 181292181 /nfs/dbraw/zinc/29/21/81/181292181.db2.gz BTJPRRWDNBSFOR-UHFFFAOYSA-N 0 0 314.410 3.845 50 0 DHAARN Cc1cnc(CN2CCC(OCc3ccccc3)CC2)s1 ZINC000180408695 199155768 /nfs/dbraw/zinc/15/57/68/199155768.db2.gz JCAMLGGLOCRYAF-UHFFFAOYSA-N 0 0 302.443 3.633 50 0 DHAARN C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000005938038 181298414 /nfs/dbraw/zinc/29/84/14/181298414.db2.gz SAUNMHLPABEXJE-ZETCQYMHSA-N 0 0 315.241 3.873 50 0 DHAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCc2ccccc21 ZINC000005938629 181298546 /nfs/dbraw/zinc/29/85/46/181298546.db2.gz FTHQYNMXKDQZFB-UHFFFAOYSA-N 0 0 304.349 3.853 50 0 DHAARN CCn1nc(C)c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1C ZINC000089300211 192761952 /nfs/dbraw/zinc/76/19/52/192761952.db2.gz JNINWQBYZQIMDN-PXNSSMCTSA-N 0 0 323.440 3.753 50 0 DHAARN CS[C@H]1CCC[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 ZINC000089493389 192801285 /nfs/dbraw/zinc/80/12/85/192801285.db2.gz FDHACZBVQMFWSF-RYUDHWBXSA-N 0 0 324.412 3.787 50 0 DHAARN O=C(Nc1c(F)cccc1NC1CC1)c1ccc(Cl)cn1 ZINC000089768188 192862636 /nfs/dbraw/zinc/86/26/36/192862636.db2.gz VDHNIROKIOKNKW-UHFFFAOYSA-N 0 0 305.740 3.701 50 0 DHAARN NC(=O)c1cccc(Oc2ccc(NC(=O)C3=CCCC3)cc2)c1 ZINC000089780730 192865890 /nfs/dbraw/zinc/86/58/90/192865890.db2.gz GMRGAXRVQRFAMY-UHFFFAOYSA-N 0 0 322.364 3.627 50 0 DHAARN O=C(Nc1ccc(CCO)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000089787519 192869129 /nfs/dbraw/zinc/86/91/29/192869129.db2.gz CGUALFYHKKBPFU-UONOGXRCSA-N 0 0 315.335 3.529 50 0 DHAARN O=C(NCc1ccsc1)N(Cc1ccccc1)CC(F)F ZINC000089832531 192881375 /nfs/dbraw/zinc/88/13/75/192881375.db2.gz ZFFBLMGRQCEGDC-UHFFFAOYSA-N 0 0 310.369 3.725 50 0 DHAARN CC(C)Oc1ccc(NC(=O)NCc2ccncc2)c(Cl)c1 ZINC000187249325 200082923 /nfs/dbraw/zinc/08/29/23/200082923.db2.gz OPADDIMHSCMDFE-UHFFFAOYSA-N 0 0 319.792 3.844 50 0 DHAARN O=C(CC1CC(c2ccccc2)C1)N1CCC(CCCO)CC1 ZINC000242106156 202471514 /nfs/dbraw/zinc/47/15/14/202471514.db2.gz WHJQMQXAADUNNC-UHFFFAOYSA-N 0 0 315.457 3.581 50 0 DHAARN Cc1ccc(/C=C\C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000006009060 181305522 /nfs/dbraw/zinc/30/55/22/181305522.db2.gz BGLQINHJOGIYDI-QXMHVHEDSA-N 0 0 323.392 3.807 50 0 DHAARN COc1ccc(-c2nc(SCc3csc(C)n3)n[nH]2)cc1 ZINC000006141766 181316103 /nfs/dbraw/zinc/31/61/03/181316103.db2.gz JHVYRSJNMXSFEX-UHFFFAOYSA-N 0 0 318.427 3.538 50 0 DHAARN COc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000006187501 181318484 /nfs/dbraw/zinc/31/84/84/181318484.db2.gz FEXBZEOLWIYTPZ-UVTDQMKNSA-N 0 0 312.756 3.669 50 0 DHAARN Cc1cccc(CNC(=O)c2ccc(Br)cc2)c1 ZINC000006207085 181319079 /nfs/dbraw/zinc/31/90/79/181319079.db2.gz XNZUBWWWZOWCGN-UHFFFAOYSA-N 0 0 304.187 3.688 50 0 DHAARN O=C(CSc1nnc(Nc2ccccc2)s1)c1ccc[nH]1 ZINC000006257971 181323247 /nfs/dbraw/zinc/32/32/47/181323247.db2.gz GGLUDWQVXLCDLG-UHFFFAOYSA-N 0 0 316.411 3.585 50 0 DHAARN CC(C)c1cc(-c2n[nH]c(=S)n2C[C@H]2CCCO2)cs1 ZINC000006256974 181323627 /nfs/dbraw/zinc/32/36/27/181323627.db2.gz IEJIKBYYYPRUHN-LLVKDONJSA-N 0 0 309.460 3.972 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(C)cc2Cl)c(OC)c1 ZINC000006272381 181325050 /nfs/dbraw/zinc/32/50/50/181325050.db2.gz BKBDPMFODSFIGC-UHFFFAOYSA-N 0 0 305.761 3.918 50 0 DHAARN CC(C)(C)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000006305936 181327995 /nfs/dbraw/zinc/32/79/95/181327995.db2.gz HZBZSZLDXSGOOB-UHFFFAOYSA-N 0 0 318.398 3.566 50 0 DHAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1C ZINC000006316460 181329154 /nfs/dbraw/zinc/32/91/54/181329154.db2.gz LLJMMBBBSLYNGK-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN O=C(Nc1ccc(Br)cc1)c1cccnc1Cl ZINC000006330422 181330422 /nfs/dbraw/zinc/33/04/22/181330422.db2.gz UVGYVEYHRUFVQN-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN Cc1ocnc1C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000193697457 201106112 /nfs/dbraw/zinc/10/61/12/201106112.db2.gz BKYMNYUSLRUFEK-UHFFFAOYSA-N 0 0 309.325 3.731 50 0 DHAARN CCSc1nnc(NC(=O)C[C@@H](C)c2ccccc2)s1 ZINC000006355821 181333825 /nfs/dbraw/zinc/33/38/25/181333825.db2.gz SQUIBNFYZIEROM-SNVBAGLBSA-N 0 0 307.444 3.782 50 0 DHAARN COCc1cccc(C(=O)N(CC(F)F)c2ccc(F)cc2)c1 ZINC000193860246 201134498 /nfs/dbraw/zinc/13/44/98/201134498.db2.gz VPMAHBBJHAKGQG-UHFFFAOYSA-N 0 0 323.314 3.884 50 0 DHAARN Cc1cc(=O)oc2cc(NC(=S)N3CCCC[C@H]3C)ccc12 ZINC000006399652 181337603 /nfs/dbraw/zinc/33/76/03/181337603.db2.gz STBKRLOSSQXLPG-GFCCVEGCSA-N 0 0 316.426 3.673 50 0 DHAARN Cc1ccc2c(Cl)c(C(=O)NN3CCCCC3)sc2c1 ZINC000006413544 181339459 /nfs/dbraw/zinc/33/94/59/181339459.db2.gz UXLSZCPNHYVWIG-UHFFFAOYSA-N 0 0 308.834 3.994 50 0 DHAARN COc1cc(NC(=O)N[C@@H](C)c2cccnc2)ccc1Cl ZINC000194434480 201224985 /nfs/dbraw/zinc/22/49/85/201224985.db2.gz OOSFGHIQQPJRTG-JTQLQIEISA-N 0 0 305.765 3.626 50 0 DHAARN Cn1cc(SCC(=O)NC2CCCCC2)c2ccccc21 ZINC000006422635 181339849 /nfs/dbraw/zinc/33/98/49/181339849.db2.gz YRMWUSCNCYXWNE-UHFFFAOYSA-N 0 0 302.443 3.719 50 0 DHAARN CCC[C@]1(COC)CCCN1C(=O)Nc1c(F)cccc1F ZINC000194545669 201248123 /nfs/dbraw/zinc/24/81/23/201248123.db2.gz KYSDLORJVZNJDG-MRXNPFEDSA-N 0 0 312.360 3.778 50 0 DHAARN Cc1ccc2nc(CSc3n[nH]c(-c4ccccc4)n3)cn2c1 ZINC000006465831 181342842 /nfs/dbraw/zinc/34/28/42/181342842.db2.gz OYFNKMQJSWZDIN-UHFFFAOYSA-N 0 0 321.409 3.720 50 0 DHAARN Cc1cnc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)s1 ZINC000195016322 201326522 /nfs/dbraw/zinc/32/65/22/201326522.db2.gz ZZUFAAGMWQQDOS-DDTOSNHZSA-N 0 0 319.405 3.507 50 0 DHAARN CC(C)Cn1c(=S)[nH]nc1-c1ccc(Br)o1 ZINC000006493091 181345745 /nfs/dbraw/zinc/34/57/45/181345745.db2.gz HWRFRPDNARTJNC-UHFFFAOYSA-N 0 0 302.197 3.619 50 0 DHAARN COC(=O)c1ccc(CSc2nc3cc(C)ccc3[nH]2)o1 ZINC000006506654 181347280 /nfs/dbraw/zinc/34/72/80/181347280.db2.gz BWELLQMNADOBEX-UHFFFAOYSA-N 0 0 302.355 3.543 50 0 DHAARN O=C(Nc1cc2c(cc1Br)CCC2)c1ccncc1 ZINC000195209624 201359561 /nfs/dbraw/zinc/35/95/61/201359561.db2.gz GNCHOXSIXJORKR-UHFFFAOYSA-N 0 0 317.186 3.585 50 0 DHAARN CCCCNc1nc(C)nc2sc(C(=O)OCC)c(C)c21 ZINC000006510339 181347888 /nfs/dbraw/zinc/34/78/88/181347888.db2.gz YSWBUBGDVPKZBK-UHFFFAOYSA-N 0 0 307.419 3.697 50 0 DHAARN Cc1noc2ncnc(NCc3nc(-c4ccccc4)cs3)c12 ZINC000195508621 201396768 /nfs/dbraw/zinc/39/67/68/201396768.db2.gz ISFSJOHWYWIXNF-UHFFFAOYSA-N 0 0 323.381 3.662 50 0 DHAARN Oc1ccc(C2N=NC(=S)N2c2cccc(Cl)c2)cc1 ZINC000006534051 181351379 /nfs/dbraw/zinc/35/13/79/181351379.db2.gz FJPXSBAXQDZZEE-UHFFFAOYSA-N 0 0 303.774 3.582 50 0 DHAARN S=C1N=NC(COc2ccccc2)N1c1ccc(Cl)cc1 ZINC000006534188 181351920 /nfs/dbraw/zinc/35/19/20/181351920.db2.gz HYALFSIQWMWCKR-UHFFFAOYSA-N 0 0 317.801 3.788 50 0 DHAARN Clc1ccc(-c2nnc(-c3ccc(Cl)cc3)nn2)cc1 ZINC000000094181 563528232 /nfs/dbraw/zinc/52/82/32/563528232.db2.gz OCLIQMAKECCZNO-UHFFFAOYSA-N 0 0 303.152 3.907 50 0 DHAARN CCC(CC)(NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000000090947 563528379 /nfs/dbraw/zinc/52/83/79/563528379.db2.gz IGVXIOANTKVJSG-UHFFFAOYSA-N 0 0 303.427 3.680 50 0 DHAARN CCOc1ncccc1C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000006561059 181354900 /nfs/dbraw/zinc/35/49/00/181354900.db2.gz YHXJZKZGCOYNDD-UHFFFAOYSA-N 0 0 313.401 3.579 50 0 DHAARN Cc1nnc(SCc2cscn2)n1-c1ccc(C)cc1 ZINC000006585123 181357872 /nfs/dbraw/zinc/35/78/72/181357872.db2.gz RMPAOMIMECIKMN-UHFFFAOYSA-N 0 0 302.428 3.633 50 0 DHAARN CCOC(=O)c1sc2nc(C)nc(NC3CCCC3)c2c1C ZINC000006602565 181360266 /nfs/dbraw/zinc/36/02/66/181360266.db2.gz JASOCCYPCJLTFF-UHFFFAOYSA-N 0 0 319.430 3.839 50 0 DHAARN CCOc1ccc2nc(SCC(=O)NC(C)(C)C)sc2c1 ZINC000006617675 181361310 /nfs/dbraw/zinc/36/13/10/181361310.db2.gz JVAZQMIUCDQQPL-UHFFFAOYSA-N 0 0 324.471 3.702 50 0 DHAARN CCCc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000006636484 181363173 /nfs/dbraw/zinc/36/31/73/181363173.db2.gz JZGVJRSZQCJQDK-UHFFFAOYSA-N 0 0 315.320 3.762 50 0 DHAARN CCCOc1ccc(C(=O)Nc2ncc(C)s2)cc1OCC ZINC000006627750 181363231 /nfs/dbraw/zinc/36/32/31/181363231.db2.gz DLLGJHQUJMMCEQ-UHFFFAOYSA-N 0 0 320.414 3.891 50 0 DHAARN CCCc1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1 ZINC000006636487 181363286 /nfs/dbraw/zinc/36/32/86/181363286.db2.gz BGCQGCXRHAUVPR-UHFFFAOYSA-N 0 0 300.431 3.712 50 0 DHAARN O=C(N[C@H]1CCCc2ccccc21)c1cncn1-c1ccccc1 ZINC000006657455 181365727 /nfs/dbraw/zinc/36/57/27/181365727.db2.gz XTMVZDJKNAQAGP-SFHVURJKSA-N 0 0 317.392 3.680 50 0 DHAARN Cc1ccc(SCC(=O)NCCSc2ccccc2)cc1 ZINC000006660017 181366823 /nfs/dbraw/zinc/36/68/23/181366823.db2.gz CHGJFQIHFCFJJK-UHFFFAOYSA-N 0 0 317.479 3.996 50 0 DHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]cnc2c1 ZINC000006658549 181366984 /nfs/dbraw/zinc/36/69/84/181366984.db2.gz IRKKMVYSQMZCII-UHFFFAOYSA-N 0 0 305.259 3.834 50 0 DHAARN Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3ccco3)c12 ZINC000006661862 181367130 /nfs/dbraw/zinc/36/71/30/181367130.db2.gz SJCROYJGSWGOCL-UHFFFAOYSA-N 0 0 322.368 3.895 50 0 DHAARN Brc1ccc(-c2noc(Cc3ccccc3)n2)o1 ZINC000006668577 181368237 /nfs/dbraw/zinc/36/82/37/181368237.db2.gz DSLVIHQPDDDXIR-UHFFFAOYSA-N 0 0 305.131 3.683 50 0 DHAARN COc1ccc(OC)c(NC(=O)Nc2ccc(C)cc2C)c1 ZINC000006699377 181371928 /nfs/dbraw/zinc/37/19/28/181371928.db2.gz YPSMHHGKGJVICB-UHFFFAOYSA-N 0 0 300.358 3.965 50 0 DHAARN O=C(Nc1ccc2n[nH]cc2c1)c1ccccc1Br ZINC000006700494 181372620 /nfs/dbraw/zinc/37/26/20/181372620.db2.gz UPKYAWKIJHXNQA-UHFFFAOYSA-N 0 0 316.158 3.578 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)o1 ZINC000006702303 181373436 /nfs/dbraw/zinc/37/34/36/181373436.db2.gz UZLOMUSYLWEHSP-VIFPVBQESA-N 0 0 306.159 3.634 50 0 DHAARN O=C(Nc1cccc2ccccc21)c1ccc(-n2cnnc2)cc1 ZINC000006702804 181374591 /nfs/dbraw/zinc/37/45/91/181374591.db2.gz FDZDQQZJWDEKAK-UHFFFAOYSA-N 0 0 314.348 3.673 50 0 DHAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)c1ccccn1 ZINC000006704675 181375464 /nfs/dbraw/zinc/37/54/64/181375464.db2.gz CMNGNRXEZYJLNU-UHFFFAOYSA-N 0 0 320.396 3.504 50 0 DHAARN CCOc1ccc(C(=O)Nc2nc(C)cs2)c(OCC)c1 ZINC000006731710 181379148 /nfs/dbraw/zinc/37/91/48/181379148.db2.gz ISGFRZMYEGAQPW-UHFFFAOYSA-N 0 0 306.387 3.501 50 0 DHAARN CCc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2F)=NO1 ZINC000006738398 181380497 /nfs/dbraw/zinc/38/04/97/181380497.db2.gz IJTSAMADUBIHBQ-KRWDZBQOSA-N 0 0 312.344 3.520 50 0 DHAARN CCN(c1ccccc1)c1nc2ccc(C)cc2n2cnnc12 ZINC000006803011 181391289 /nfs/dbraw/zinc/39/12/89/181391289.db2.gz JNZKCKWLXAGQID-UHFFFAOYSA-N 0 0 303.369 3.744 50 0 DHAARN CCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1ccccc1O2 ZINC000006748528 181382239 /nfs/dbraw/zinc/38/22/39/181382239.db2.gz ZIKJKQLRAQNYHN-UHFFFAOYSA-N 0 0 320.348 3.944 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2nc3ccc(C)cc3s2)s1 ZINC000006767544 181385568 /nfs/dbraw/zinc/38/55/68/181385568.db2.gz SNQSPFXFOLFEDY-UHFFFAOYSA-N 0 0 303.412 3.930 50 0 DHAARN CCc1nnc2c(Nc3cccc(C)c3)nc3ccccc3n12 ZINC000006791959 181389762 /nfs/dbraw/zinc/38/97/62/181389762.db2.gz KGPIAACBMCMUSG-UHFFFAOYSA-N 0 0 303.369 3.892 50 0 DHAARN CCn1c2cc(C)ccc2c(C[NH2+]Cc2ccccc2)c1C(=O)[O-] ZINC000006795180 181390291 /nfs/dbraw/zinc/39/02/91/181390291.db2.gz PEOPQKIJXYNWFU-UHFFFAOYSA-N 0 0 322.408 3.958 50 0 DHAARN CCSc1ncc(Cl)c(C(=O)N(C)Cc2ccccc2)n1 ZINC000006810444 181393242 /nfs/dbraw/zinc/39/32/42/181393242.db2.gz VVEDUBFFKBAOGI-UHFFFAOYSA-N 0 0 321.833 3.514 50 0 DHAARN CCc1ccc2oc(C(=O)Nc3ccccc3C)cc(=O)c2c1 ZINC000006811265 181393689 /nfs/dbraw/zinc/39/36/89/181393689.db2.gz XCJVKFFPUNAVNZ-UHFFFAOYSA-N 0 0 307.349 3.916 50 0 DHAARN CCc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 ZINC000006811255 181393769 /nfs/dbraw/zinc/39/37/69/181393769.db2.gz NLKLRWSLIWMNKE-UHFFFAOYSA-N 0 0 307.349 3.916 50 0 DHAARN CCNc1c2ccccc2oc(=O)c1NC(=O)c1ccccc1C ZINC000006823353 181395404 /nfs/dbraw/zinc/39/54/04/181395404.db2.gz IIEHCCGLQDFBLZ-UHFFFAOYSA-N 0 0 322.364 3.786 50 0 DHAARN CCNc1c2ccccc2oc(=O)c1NC(=O)c1cccc(C)c1 ZINC000006823326 181395687 /nfs/dbraw/zinc/39/56/87/181395687.db2.gz YMVGEONSFIGVBP-UHFFFAOYSA-N 0 0 322.364 3.786 50 0 DHAARN Cc1ccc2onc(CC(=O)Nc3ccccc3Cl)c2c1 ZINC000006839429 181397175 /nfs/dbraw/zinc/39/71/75/181397175.db2.gz YGAMZTILRVONTQ-UHFFFAOYSA-N 0 0 300.745 3.971 50 0 DHAARN CCN(C(=O)Cc1noc2ccc(C)cc21)c1ccccc1F ZINC000006839335 181397583 /nfs/dbraw/zinc/39/75/83/181397583.db2.gz IVRUYJIKLTVAIP-UHFFFAOYSA-N 0 0 312.344 3.871 50 0 DHAARN COc1ccc(C)cc1NC(=O)Cc1noc2ccc(C)cc12 ZINC000006839195 181397790 /nfs/dbraw/zinc/39/77/90/181397790.db2.gz XNTKOGOUHVZLLR-UHFFFAOYSA-N 0 0 310.353 3.634 50 0 DHAARN Cc1[nH]c2ccccc2c1/C=C1/N=C(c2ccccc2F)OC1=O ZINC000006901979 181403241 /nfs/dbraw/zinc/40/32/41/181403241.db2.gz ZDNWTUGQYVSDEO-LICLKQGHSA-N 0 0 320.323 3.960 50 0 DHAARN CCCc1nc(C)c(CNc2nc(C)nc3oc(C)nc32)s1 ZINC000091562981 193073762 /nfs/dbraw/zinc/07/37/62/193073762.db2.gz XVGCZDJXVLIABR-UHFFFAOYSA-N 0 0 317.418 3.564 50 0 DHAARN COC[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000091725719 193098234 /nfs/dbraw/zinc/09/82/34/193098234.db2.gz BVEYIUURFNRACA-LBPRGKRZSA-N 0 0 319.788 3.851 50 0 DHAARN CC(C)c1cc(C(=O)N(C)Cc2cccc3cnccc32)on1 ZINC000091754953 193102613 /nfs/dbraw/zinc/10/26/13/193102613.db2.gz FDYXGDGYZWHHRL-UHFFFAOYSA-N 0 0 309.369 3.618 50 0 DHAARN CC(C)n1ccnc1C1CCN(C(=O)CC2CCCC2)CC1 ZINC000091794368 193109334 /nfs/dbraw/zinc/10/93/34/193109334.db2.gz OUZXMCHWXYHJOL-UHFFFAOYSA-N 0 0 303.450 3.750 50 0 DHAARN C[C@H](c1cncs1)N(C)C(=O)c1cc2c(s1)CCCC2 ZINC000091877107 193121952 /nfs/dbraw/zinc/12/19/52/193121952.db2.gz LMWNCNLDVXSKRV-SNVBAGLBSA-N 0 0 306.456 3.917 50 0 DHAARN CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cnc(C)cn2)C1 ZINC000091965304 193133662 /nfs/dbraw/zinc/13/36/62/193133662.db2.gz XULCSWOTTKJTLY-SFHVURJKSA-N 0 0 301.434 3.660 50 0 DHAARN COc1ccc([C@H](C)NC(=O)c2cc(CC(C)C)no2)cc1F ZINC000092062287 193151138 /nfs/dbraw/zinc/15/11/38/193151138.db2.gz JUDCJNLJBOKKKB-NSHDSACASA-N 0 0 320.364 3.512 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)NCc1nc2ccccc2o1 ZINC000092019526 193143421 /nfs/dbraw/zinc/14/34/21/193143421.db2.gz VKICTYOWJODQPG-UHFFFAOYSA-N 0 0 315.398 3.646 50 0 DHAARN COc1cc(C)sc1C(=O)NCc1c(F)cccc1Cl ZINC000215946621 201476838 /nfs/dbraw/zinc/47/68/38/201476838.db2.gz XEINWNFLKULCJG-UHFFFAOYSA-N 0 0 313.781 3.788 50 0 DHAARN CC(C)Cn1ncc(C(=O)Nc2cccc3c[nH]nc32)c1C1CC1 ZINC000092168273 193169444 /nfs/dbraw/zinc/16/94/44/193169444.db2.gz QEYXMGYQLDDQMM-UHFFFAOYSA-N 0 0 323.400 3.545 50 0 DHAARN Cc1cc([C@H]2CCCCN2Cc2nc(-c3ccccc3)no2)no1 ZINC000252482264 202839054 /nfs/dbraw/zinc/83/90/54/202839054.db2.gz DBVMEXVEZMUCOQ-MRXNPFEDSA-N 0 0 324.384 3.760 50 0 DHAARN Cc1ccc(CC(=O)NC[C@@H](Cc2ccccc2)C(C)C)cn1 ZINC000252485210 202843859 /nfs/dbraw/zinc/84/38/59/202843859.db2.gz GPCKQJNJKHCOBY-LJQANCHMSA-N 0 0 310.441 3.564 50 0 DHAARN CC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000253417277 202876896 /nfs/dbraw/zinc/87/68/96/202876896.db2.gz VMQWVBGWXWHJGD-MGPQQGTHSA-N 0 0 305.422 3.515 50 0 DHAARN CC(=O)N(Cc1ccc(Nc2ncc(Cl)cn2)cc1)C(C)C ZINC000253432286 202891141 /nfs/dbraw/zinc/89/11/41/202891141.db2.gz XSLYSUXNPIURCX-UHFFFAOYSA-N 0 0 318.808 3.631 50 0 DHAARN Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)n2)cc1 ZINC000257173873 202924180 /nfs/dbraw/zinc/92/41/80/202924180.db2.gz ZSDLVIGBWPYXDJ-GJZGRUSLSA-N 0 0 324.424 3.615 50 0 DHAARN COC(=O)c1cccc2cc(Cl)n(C(=O)OC(C)(C)C)c21 ZINC000261494081 203073622 /nfs/dbraw/zinc/07/36/22/203073622.db2.gz PLNHJEDDKWOVQL-UHFFFAOYSA-N 0 0 309.749 3.865 50 0 DHAARN COc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1OC ZINC000007078157 181437761 /nfs/dbraw/zinc/43/77/61/181437761.db2.gz XKANCGCFFCDPOF-MRXNPFEDSA-N 0 0 319.426 3.892 50 0 DHAARN O=C1c2ccccc2N[C@@H](c2ccsc2)N1CC(F)(F)F ZINC000007113367 181439039 /nfs/dbraw/zinc/43/90/39/181439039.db2.gz BWYDSHZOKYJWON-GFCCVEGCSA-N 0 0 312.316 3.877 50 0 DHAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)C=C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000257345895 203066573 /nfs/dbraw/zinc/06/65/73/203066573.db2.gz MQKCILYFKAJWDB-YBRIYBKASA-N 0 0 302.458 3.837 50 0 DHAARN CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]1c1ccccc1 ZINC000257356013 203069294 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ZINC000008715037 181577629 /nfs/dbraw/zinc/57/76/29/181577629.db2.gz BXJFDJIOZZABEI-UHFFFAOYSA-N 0 0 316.386 3.644 50 0 DHAARN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)CC ZINC000008714746 181577650 /nfs/dbraw/zinc/57/76/50/181577650.db2.gz QFLJLAGKMSWZJJ-LLVKDONJSA-N 0 0 319.854 3.514 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 ZINC000008753970 181583686 /nfs/dbraw/zinc/58/36/86/181583686.db2.gz ZXQZRSVQRRSGJN-HNNXBMFYSA-N 0 0 306.409 3.848 50 0 biogenic DHAARN CCC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008884122 181590217 /nfs/dbraw/zinc/59/02/17/181590217.db2.gz BLFCZPGTEGVOAZ-UHFFFAOYSA-N 0 0 319.307 3.575 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000008959827 181593183 /nfs/dbraw/zinc/59/31/83/181593183.db2.gz OTRORASIQCVJGQ-UHFFFAOYSA-N 0 0 324.380 3.604 50 0 DHAARN CC(=O)N(C)Cc1nc2ccccc2n1[C@@H](C)c1ccccc1 ZINC000009250269 181609988 /nfs/dbraw/zinc/60/99/88/181609988.db2.gz VKYHQUHOISIZDU-AWEZNQCLSA-N 0 0 307.397 3.624 50 0 DHAARN CC[C@@H](C)NC(=O)c1sc(COc2cccc(C)c2)nc1C ZINC000009251016 181609999 /nfs/dbraw/zinc/60/99/99/181609999.db2.gz GKKOEKGWTABFSI-GFCCVEGCSA-N 0 0 318.442 3.867 50 0 DHAARN CCc1ccc(Nc2c(=O)c(=O)c2-c2ccc(Cl)cc2)cc1 ZINC000009273378 181611270 /nfs/dbraw/zinc/61/12/70/181611270.db2.gz KZBRBFCXRNSIPA-UHFFFAOYSA-N 0 0 311.768 3.909 50 0 DHAARN Cc1cccc(C(C)C)c1NC(=O)c1cccc(NC(N)=O)c1 ZINC000009364906 181617337 /nfs/dbraw/zinc/61/73/37/181617337.db2.gz AFKFLOVMZVNRGQ-UHFFFAOYSA-N 0 0 311.385 3.861 50 0 DHAARN COc1ccccc1N[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000009378740 181619045 /nfs/dbraw/zinc/61/90/45/181619045.db2.gz KPESEMOFJBISQD-JTQLQIEISA-N 0 0 301.371 3.980 50 0 DHAARN CC(C)(C)c1ccc(OCc2nnnn2-c2ccccc2)cc1 ZINC000009420961 181620553 /nfs/dbraw/zinc/62/05/53/181620553.db2.gz YRCZWNLOOOGURD-UHFFFAOYSA-N 0 0 308.385 3.539 50 0 DHAARN Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCCC3)nc2C1 ZINC000009420863 181620649 /nfs/dbraw/zinc/62/06/49/181620649.db2.gz MYTCUPDXOVDULB-HNNXBMFYSA-N 0 0 321.424 3.606 50 0 DHAARN COc1cc2c(cc1/C=C1\C(=O)Nc3ccccc31)O[C@H](C)C2 ZINC000009453174 181622190 /nfs/dbraw/zinc/62/21/90/181622190.db2.gz CPCVFMIVKWTNJT-SHLUWWQESA-N 0 0 307.349 3.511 50 0 DHAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2nccnc2c1 ZINC000009478677 181623685 /nfs/dbraw/zinc/62/36/85/181623685.db2.gz GUDIGJUSEHAIPH-UHFFFAOYSA-N 0 0 317.270 3.901 50 0 DHAARN CC(C)[C@H]1c2cccn2CCN1C(=O)Nc1ccc(F)cc1 ZINC000009528249 181627938 /nfs/dbraw/zinc/62/79/38/181627938.db2.gz FDICUCVLTIWIND-INIZCTEOSA-N 0 0 301.365 3.872 50 0 DHAARN CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000009134426 181602803 /nfs/dbraw/zinc/60/28/03/181602803.db2.gz WOXHOCDZUJSBHS-UHFFFAOYSA-N 0 0 310.353 3.808 50 0 DHAARN COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000009118881 181603100 /nfs/dbraw/zinc/60/31/00/181603100.db2.gz DTCSEGHESDGQBU-NSHDSACASA-N 0 0 304.777 3.788 50 0 DHAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(C)c(F)c2)cc1 ZINC000009155166 181604071 /nfs/dbraw/zinc/60/40/71/181604071.db2.gz XUKYYFCTQZPIAV-GFCCVEGCSA-N 0 0 314.360 3.776 50 0 DHAARN CC(C)c1ccc(OCC(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000009575757 181630152 /nfs/dbraw/zinc/63/01/52/181630152.db2.gz HSOVYFXNRIDZQR-UHFFFAOYSA-N 0 0 317.414 3.556 50 0 DHAARN CCCCC(=O)Nc1nnc(CCCc2ccccc2)s1 ZINC000009668487 181634929 /nfs/dbraw/zinc/63/49/29/181634929.db2.gz IAXNCYFHTZOLOF-UHFFFAOYSA-N 0 0 303.431 3.842 50 0 DHAARN Cc1ccc(CCCNC(=O)c2ccc3[nH]cnc3c2)c(C)c1 ZINC000009889919 181646119 /nfs/dbraw/zinc/64/61/19/181646119.db2.gz TZKAOBANLBGJFI-UHFFFAOYSA-N 0 0 307.397 3.542 50 0 DHAARN CN(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000010429563 181669532 /nfs/dbraw/zinc/66/95/32/181669532.db2.gz PHNQQHHRWPGSMQ-UHFFFAOYSA-N 0 0 309.413 3.605 50 0 DHAARN CCOc1ccc(CC(=O)Nc2cccc3cccnc32)cc1 ZINC000010780123 181678428 /nfs/dbraw/zinc/67/84/28/181678428.db2.gz HLPJQZMUZKTVTN-UHFFFAOYSA-N 0 0 306.365 3.815 50 0 DHAARN NC(=O)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000010336850 181667270 /nfs/dbraw/zinc/66/72/70/181667270.db2.gz METTWMUPBDLBSK-UHFFFAOYSA-N 0 0 310.180 3.600 50 0 DHAARN CC[C@H](C)NC(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000011664128 181697780 /nfs/dbraw/zinc/69/77/80/181697780.db2.gz JNFXWJDQPSGWTL-JTQLQIEISA-N 0 0 317.389 3.730 50 0 DHAARN Cc1cc(C)c(C)c(OC[C@H](O)CSc2ccccn2)c1 ZINC000011692564 181699678 /nfs/dbraw/zinc/69/96/78/181699678.db2.gz RRROHPPIJUZQPG-HNNXBMFYSA-N 0 0 303.427 3.539 50 0 DHAARN COc1ccc(OC)c(C(=O)c2oc3ccc(N)cc3c2C)c1 ZINC000011731161 181701842 /nfs/dbraw/zinc/70/18/42/181701842.db2.gz PDGVFCWFIRPBBC-UHFFFAOYSA-N 0 0 311.337 3.572 50 0 DHAARN CCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012072492 181725888 /nfs/dbraw/zinc/72/58/88/181725888.db2.gz SEONLWMIUPBSJE-MRXNPFEDSA-N 0 0 321.420 3.770 50 0 DHAARN CCOc1ccc(/C=C\C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000096571304 193680404 /nfs/dbraw/zinc/68/04/04/193680404.db2.gz MJXMGTZGHFPJJK-XFXZXTDPSA-N 0 0 324.380 3.696 50 0 DHAARN COc1ccc(NC(=O)CCCSc2ccccc2)cn1 ZINC000012523536 181770005 /nfs/dbraw/zinc/77/00/05/181770005.db2.gz SJVYIWMPQMMVSH-UHFFFAOYSA-N 0 0 302.399 3.601 50 0 DHAARN O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCCC1 ZINC000012323141 181749967 /nfs/dbraw/zinc/74/99/67/181749967.db2.gz LEVWORQNVAQHBH-UHFFFAOYSA-N 0 0 319.360 3.696 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000012528645 181771045 /nfs/dbraw/zinc/77/10/45/181771045.db2.gz QURSCCBBJLVTQI-LJQANCHMSA-N 0 0 324.424 3.739 50 0 DHAARN COc1ccccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000012390139 181755990 /nfs/dbraw/zinc/75/59/90/181755990.db2.gz ZSYHYKGPOVOUFS-UHFFFAOYSA-N 0 0 324.355 3.514 50 0 DHAARN C[C@@H](NC(=O)CCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000012401926 181757468 /nfs/dbraw/zinc/75/74/68/181757468.db2.gz ZIOLALPBWHSEBJ-IYBDPMFKSA-N 0 0 324.424 3.521 50 0 DHAARN O=C(NCCCn1cnc2ccccc21)c1ccccc1Cl ZINC000012554812 181775373 /nfs/dbraw/zinc/77/53/73/181775373.db2.gz WVYTZQDRFFZJKH-UHFFFAOYSA-N 0 0 313.788 3.510 50 0 DHAARN O=C(CC1CCCC1)N1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000012579834 181779235 /nfs/dbraw/zinc/77/92/35/181779235.db2.gz RFFSQGPYUQWLHK-KRWDZBQOSA-N 0 0 304.409 3.809 50 0 DHAARN Cc1cc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)no1 ZINC000012692737 181788574 /nfs/dbraw/zinc/78/85/74/181788574.db2.gz FVVRUUFAQQJXBT-UHFFFAOYSA-N 0 0 313.382 3.591 50 0 DHAARN CN(C)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000012608096 181783157 /nfs/dbraw/zinc/78/31/57/181783157.db2.gz RMVUOXRYQXJCLD-UHFFFAOYSA-N 0 0 306.768 3.726 50 0 DHAARN Cc1nc(NC(=O)Nc2ccccc2)nc2c1C(=O)CC(C)(C)C2 ZINC000012652504 181785534 /nfs/dbraw/zinc/78/55/34/181785534.db2.gz XWYROPUNYLCDKJ-UHFFFAOYSA-N 0 0 324.384 3.584 50 0 DHAARN COc1cc(C)c(NC(=O)C(C)(C)c2ccccc2)cc1OC ZINC000012758151 181793428 /nfs/dbraw/zinc/79/34/28/181793428.db2.gz RNFURHKTBZBIPF-UHFFFAOYSA-N 0 0 313.397 3.929 50 0 DHAARN COc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 ZINC000012768232 181795298 /nfs/dbraw/zinc/79/52/98/181795298.db2.gz WUWXOMOXBBGOBL-UHFFFAOYSA-N 0 0 322.389 3.980 50 0 DHAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 ZINC000012781712 181796916 /nfs/dbraw/zinc/79/69/16/181796916.db2.gz GWRBMAONTTYROS-UHFFFAOYSA-N 0 0 311.316 3.800 50 0 DHAARN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000012781863 181797161 /nfs/dbraw/zinc/79/71/61/181797161.db2.gz XCAWNIFHVRALET-MRXNPFEDSA-N 0 0 308.381 3.875 50 0 DHAARN O=c1ccc(C(F)(F)F)cn1Cc1cc(-c2ccccc2)no1 ZINC000012787269 181797672 /nfs/dbraw/zinc/79/76/72/181797672.db2.gz HGKZBJYILSWLBL-UHFFFAOYSA-N 0 0 320.270 3.570 50 0 DHAARN Cc1ccc(-c2cc(COC(=O)Cc3ccccc3)no2)cc1 ZINC000012725558 181790079 /nfs/dbraw/zinc/79/00/79/181790079.db2.gz OVDJCYVUQZAGQF-UHFFFAOYSA-N 0 0 307.349 3.936 50 0 DHAARN COC(=O)c1c(C)[nH]c(C(=O)c2oc3ccccc3c2C)c1C ZINC000012847422 181803068 /nfs/dbraw/zinc/80/30/68/181803068.db2.gz XZLCBDGVUCFRCC-UHFFFAOYSA-N 0 0 311.337 3.704 50 0 DHAARN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000012901042 181809559 /nfs/dbraw/zinc/80/95/59/181809559.db2.gz NIVFFJPVZVBVHH-IYOUNJFTSA-N 0 0 319.470 3.718 50 0 DHAARN Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(F)c2)c1 ZINC000012919681 181811759 /nfs/dbraw/zinc/81/17/59/181811759.db2.gz JKIIGQRFCJHGNN-UHFFFAOYSA-N 0 0 301.361 3.594 50 0 DHAARN COc1ccc2cc(C(=O)NCCc3cccs3)ccc2c1 ZINC000012924510 181812033 /nfs/dbraw/zinc/81/20/33/181812033.db2.gz QFBQYJMQNJKPRB-UHFFFAOYSA-N 0 0 311.406 3.882 50 0 DHAARN C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(-c2ccccc2)cc1 ZINC000012945747 181814224 /nfs/dbraw/zinc/81/42/24/181814224.db2.gz RSNFTEIWHNKSNE-CQSZACIVSA-N 0 0 318.376 3.533 50 0 DHAARN Cc1ccccc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000012999411 181820845 /nfs/dbraw/zinc/82/08/45/181820845.db2.gz QUEKWPZLNXNFBM-UHFFFAOYSA-N 0 0 305.377 3.957 50 0 DHAARN COC(=O)c1ccc(NC(=O)c2cc(C)c(C)s2)c(C)c1 ZINC000013012849 181823551 /nfs/dbraw/zinc/82/35/51/181823551.db2.gz GILFDTCLQHBELA-UHFFFAOYSA-N 0 0 303.383 3.712 50 0 DHAARN O=C(NCCc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000012997208 181819861 /nfs/dbraw/zinc/81/98/61/181819861.db2.gz OJAQQAYGGGBYEN-UHFFFAOYSA-N 0 0 308.406 3.783 50 0 DHAARN COC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000013137609 181832567 /nfs/dbraw/zinc/83/25/67/181832567.db2.gz 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CC(=O)NCc1ccc(-c2csc(Nc3ccccc3)n2)o1 ZINC000023386337 182359308 /nfs/dbraw/zinc/35/93/08/182359308.db2.gz OICWNIMXQMELOA-UHFFFAOYSA-N 0 0 313.382 3.783 50 0 DHAARN COc1ccc(-c2nc(NC[C@H]3CCCO3)sc2C)cc1 ZINC000023386366 182359407 /nfs/dbraw/zinc/35/94/07/182359407.db2.gz UYBSBJJNDPUFRP-CQSZACIVSA-N 0 0 304.415 3.718 50 0 DHAARN O=C(CCC(=O)c1ccccc1)NCc1nc2ccccc2s1 ZINC000023424247 182360997 /nfs/dbraw/zinc/36/09/97/182360997.db2.gz DXGJJLBCSPVJGM-UHFFFAOYSA-N 0 0 324.405 3.576 50 0 DHAARN CCc1noc(C)c1C(=O)OCc1coc(-c2cccs2)n1 ZINC000024090916 182374915 /nfs/dbraw/zinc/37/49/15/182374915.db2.gz VEZRDKSRDIUUBJ-UHFFFAOYSA-N 0 0 318.354 3.619 50 0 DHAARN Cc1c(C(=O)N(C)[C@H](C)c2cccs2)[nH]c2c1C(=O)CCC2 ZINC000024236087 182377390 /nfs/dbraw/zinc/37/73/90/182377390.db2.gz XGLKTFOAXGNYBS-LLVKDONJSA-N 0 0 316.426 3.737 50 0 DHAARN C[C@H](NC(=O)CCc1cccnc1)c1ccc2c(c1)CCCC2 ZINC000023954816 182370217 /nfs/dbraw/zinc/37/02/17/182370217.db2.gz LWNMGZJQZHKHDO-HNNXBMFYSA-N 0 0 308.425 3.770 50 0 DHAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c(C)s1 ZINC000024070553 182374270 /nfs/dbraw/zinc/37/42/70/182374270.db2.gz FLMMIKLHNQEJCJ-UHFFFAOYSA-N 0 0 307.440 3.654 50 0 DHAARN CC(C)=CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024748965 182389816 /nfs/dbraw/zinc/38/98/16/182389816.db2.gz OLEJKAPZZVPANB-SFHVURJKSA-N 0 0 319.408 3.929 50 0 DHAARN Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1[C@@H](C)c1ccccc1 ZINC000024768515 182390593 /nfs/dbraw/zinc/39/05/93/182390593.db2.gz VOZOUBMNPJAFAP-AWEZNQCLSA-N 0 0 322.412 3.700 50 0 DHAARN CC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000024613929 182385425 /nfs/dbraw/zinc/38/54/25/182385425.db2.gz QEKIJJHFYFGJDF-UHFFFAOYSA-N 0 0 322.257 3.555 50 0 DHAARN COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cn1 ZINC000024604954 182385447 /nfs/dbraw/zinc/38/54/47/182385447.db2.gz LCFAZBXYFLUGLY-UHFFFAOYSA-N 0 0 316.788 3.804 50 0 DHAARN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024693534 182387587 /nfs/dbraw/zinc/38/75/87/182387587.db2.gz VVNYVSATMBJDKE-HUUCEWRRSA-N 0 0 310.397 3.890 50 0 DHAARN O=C(CCCc1cccs1)Nc1cccc(-c2nnco2)c1 ZINC000024697333 182388458 /nfs/dbraw/zinc/38/84/58/182388458.db2.gz IQDDQEIMVCQJMY-UHFFFAOYSA-N 0 0 313.382 3.760 50 0 DHAARN Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccccc2C)n1 ZINC000025013554 182398999 /nfs/dbraw/zinc/39/89/99/182398999.db2.gz DOVHAPQXZHCSCY-UHFFFAOYSA-N 0 0 319.408 3.979 50 0 DHAARN O=C(NCc1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000024959552 182396124 /nfs/dbraw/zinc/39/61/24/182396124.db2.gz SAMINIBOHAIZAG-UHFFFAOYSA-N 0 0 311.772 3.660 50 0 DHAARN CC(=O)Nc1ccc(CNC(=O)CCC2CCCCC2)cc1 ZINC000024976513 182396711 /nfs/dbraw/zinc/39/67/11/182396711.db2.gz VXENODKKICWHDR-UHFFFAOYSA-N 0 0 302.418 3.622 50 0 DHAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)cn2)C1(C)C ZINC000025665973 182419238 /nfs/dbraw/zinc/41/92/38/182419238.db2.gz NIUADVHLGSHPRS-DOTOQJQBSA-N 0 0 313.445 3.859 50 0 DHAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c[nH]nc3c2)cc1C ZINC000025787339 182422285 /nfs/dbraw/zinc/42/22/85/182422285.db2.gz DRWPOUSLHOYPCL-CYBMUJFWSA-N 0 0 322.364 3.608 50 0 DHAARN Cc1ccc2[nH]c(C(=O)NCCC[C@H]3CCCCO3)cc2c1C ZINC000183464415 335028206 /nfs/dbraw/zinc/02/82/06/335028206.db2.gz CCUZNOJLQQVODX-OAHLLOKOSA-N 0 0 314.429 3.864 50 0 DHAARN COc1ccccc1N[C@H](C)c1nc(-c2cccs2)no1 ZINC000027058318 182461473 /nfs/dbraw/zinc/46/14/73/182461473.db2.gz NQQGAUJLMHSPJL-SNVBAGLBSA-N 0 0 301.371 3.980 50 0 DHAARN Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)nc1 ZINC000027645058 182484513 /nfs/dbraw/zinc/48/45/13/182484513.db2.gz PHIQCXPGWVMSPA-UHFFFAOYSA-N 0 0 308.790 3.707 50 0 DHAARN C[C@H](C(=O)Nc1nc2c(ccc3ccccc23)s1)n1cccn1 ZINC000028243997 182516228 /nfs/dbraw/zinc/51/62/28/182516228.db2.gz SAHPPMCSZBBZRU-LLVKDONJSA-N 0 0 322.393 3.846 50 0 DHAARN Clc1snnc1CSc1nnc(-c2cccs2)o1 ZINC000028230241 182514184 /nfs/dbraw/zinc/51/41/84/182514184.db2.gz IQUWNPZNVGYCAA-UHFFFAOYSA-N 0 0 316.820 3.595 50 0 DHAARN Cc1cc(OCc2ccc(C(=O)NC3CC3)o2)ccc1Cl ZINC000028230124 182514302 /nfs/dbraw/zinc/51/43/02/182514302.db2.gz CMQAZCLGJZDCAT-UHFFFAOYSA-N 0 0 305.761 3.713 50 0 DHAARN CCc1ccc(OC[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028292818 182519089 /nfs/dbraw/zinc/51/90/89/182519089.db2.gz ONFAEPPCKODLPC-OAHLLOKOSA-N 0 0 306.789 3.721 50 0 DHAARN CCc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1 ZINC000028876114 182543457 /nfs/dbraw/zinc/54/34/57/182543457.db2.gz KEMJNFHSDZVXHU-NSHDSACASA-N 0 0 304.340 3.966 50 0 DHAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)CC1CCCCC1 ZINC000028698998 182534719 /nfs/dbraw/zinc/53/47/19/182534719.db2.gz MWHQTSCWXCYROO-ZDUSSCGKSA-N 0 0 319.401 3.536 50 0 DHAARN O=C(NCC[C@@H]1CCCO1)c1ccccc1Nc1ccccc1 ZINC000029653231 182572917 /nfs/dbraw/zinc/57/29/17/182572917.db2.gz SDPLIWLSIFYCOE-INIZCTEOSA-N 0 0 310.397 3.729 50 0 DHAARN CCc1cc(C(=O)NCCCN(C)c2ccccc2)sc1C ZINC000030014767 182583335 /nfs/dbraw/zinc/58/33/35/182583335.db2.gz WNJKIVWUERARHG-UHFFFAOYSA-N 0 0 316.470 3.875 50 0 DHAARN FC(F)(F)c1ccc(Cl)c(Nc2ncnc3n[nH]cc32)c1 ZINC000031809183 182623913 /nfs/dbraw/zinc/62/39/13/182623913.db2.gz DFDYBZDKZTZWLV-UHFFFAOYSA-N 0 0 313.670 3.769 50 0 DHAARN Cc1cc(Cl)ccc1OC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000032767377 182660704 /nfs/dbraw/zinc/66/07/04/182660704.db2.gz CURNWFKHLQQUQS-UHFFFAOYSA-N 0 0 313.740 3.709 50 0 DHAARN COc1ccc2cc(C(=O)N(C)Cc3ccc(F)cc3)[nH]c2c1 ZINC000032765692 182660782 /nfs/dbraw/zinc/66/07/82/182660782.db2.gz BFMDHHSLHCKMPT-UHFFFAOYSA-N 0 0 312.344 3.588 50 0 DHAARN CC(C)Cc1nnc(NC(=O)Nc2ccc(F)cc2F)s1 ZINC000032610908 182650339 /nfs/dbraw/zinc/65/03/39/182650339.db2.gz YWGWWDGTJHOHDX-UHFFFAOYSA-N 0 0 312.345 3.659 50 0 DHAARN CN(Cc1ccsc1)c1nn2cc(C(C)(C)C)nc2s1 ZINC000032908990 182677384 /nfs/dbraw/zinc/67/73/84/182677384.db2.gz WCGKQWZUQQNHEG-UHFFFAOYSA-N 0 0 306.460 3.786 50 0 DHAARN O=C(NOCc1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000032795279 182665101 /nfs/dbraw/zinc/66/51/01/182665101.db2.gz KTMUHUCSELSNQO-HNNXBMFYSA-N 0 0 314.410 3.655 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)c1noc2c1COc1ccccc1-2 ZINC000033028828 182689213 /nfs/dbraw/zinc/68/92/13/182689213.db2.gz TWJWJORVEBOENE-BXUZGUMPSA-N 0 0 312.369 3.543 50 0 DHAARN Oc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000100895247 193805465 /nfs/dbraw/zinc/80/54/65/193805465.db2.gz PNONEWLNUGNEDF-OAHLLOKOSA-N 0 0 324.771 3.693 50 0 DHAARN CC(=O)/N=c1\scc(-c2ccccc2)n1-c1cccc(C)c1 ZINC000100840874 193805484 /nfs/dbraw/zinc/80/54/84/193805484.db2.gz ZFWMCZQFIRWFLO-HNENSFHCSA-N 0 0 308.406 3.961 50 0 DHAARN O=C(Nc1nc2ccccc2[nH]1)c1cnc(-c2ccccc2)s1 ZINC000032931351 182682773 /nfs/dbraw/zinc/68/27/73/182682773.db2.gz WQLBXSDMNVBPBJ-UHFFFAOYSA-N 0 0 320.377 3.939 50 0 DHAARN CC(C)(CNC(=O)C1CCC1)c1ccc(Br)cc1 ZINC000032931320 182682869 /nfs/dbraw/zinc/68/28/69/182682869.db2.gz JWFVAELTMIQWOT-UHFFFAOYSA-N 0 0 310.235 3.643 50 0 DHAARN CC(=O)Nc1ccc(SCC[S@](=O)c2ccccc2)cc1 ZINC000032931603 182682917 /nfs/dbraw/zinc/68/29/17/182682917.db2.gz AOFHLUIPYQCCTA-OAQYLSRUSA-N 0 0 319.451 3.545 50 0 DHAARN CCCCNC(=O)c1cccc(-n2c(C)nc3cccnc32)c1C ZINC000032932085 182682924 /nfs/dbraw/zinc/68/29/24/182682924.db2.gz KQZUTKUBJPXCIG-UHFFFAOYSA-N 0 0 322.412 3.567 50 0 DHAARN C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)s1 ZINC000033192571 182695963 /nfs/dbraw/zinc/69/59/63/182695963.db2.gz SJYAQRYYDSHCKJ-SECBINFHSA-N 0 0 320.801 3.963 50 0 DHAARN Cc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C ZINC000033088825 182692479 /nfs/dbraw/zinc/69/24/79/182692479.db2.gz FOGPPZXMWCAVLD-ZDUSSCGKSA-N 0 0 318.376 3.679 50 0 DHAARN CCCNC(=O)c1cc(-c2cc(C)sc2C)nn1CCC ZINC000034902436 182742419 /nfs/dbraw/zinc/74/24/19/182742419.db2.gz UWTOXTPRVITREB-UHFFFAOYSA-N 0 0 305.447 3.778 50 0 DHAARN O=C(Cc1ccccc1)N1CCS[C@@H]1c1ccc(F)cc1 ZINC000035815899 182788982 /nfs/dbraw/zinc/78/89/82/182788982.db2.gz IAVKNTHURUOMCO-QGZVFWFLSA-N 0 0 301.386 3.642 50 0 DHAARN CC[C@H](C)NC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429859 182776569 /nfs/dbraw/zinc/77/65/69/182776569.db2.gz CVKGJKLNAKLHAF-ZDUSSCGKSA-N 0 0 320.396 3.902 50 0 DHAARN Cc1cc(Nc2ccccc2C)n2nc(-c3cccnc3)nc2n1 ZINC000035528327 182779624 /nfs/dbraw/zinc/77/96/24/182779624.db2.gz SYVLWZLTLUPXHM-UHFFFAOYSA-N 0 0 316.368 3.547 50 0 DHAARN COC(=O)[C@H](c1ccccc1Cl)N1CCc2ccsc2C1 ZINC000035643588 182783405 /nfs/dbraw/zinc/78/34/05/182783405.db2.gz ZEIGZKQSYIWMTR-HNNXBMFYSA-N 0 0 321.829 3.674 50 0 in-vitro DHAARN COc1ccc(NC(=O)Cc2sc(C)nc2C)cc1Cl ZINC000036359469 182819085 /nfs/dbraw/zinc/81/90/85/182819085.db2.gz JEEXQABHVHNGQR-UHFFFAOYSA-N 0 0 310.806 3.603 50 0 DHAARN Cc1cc(C)cc(OCc2nc(C(=O)NCC(C)C)cs2)c1 ZINC000036083979 182796079 /nfs/dbraw/zinc/79/60/79/182796079.db2.gz NSROFMMWPZGAIE-UHFFFAOYSA-N 0 0 318.442 3.725 50 0 DHAARN CC(C)CNC(=O)c1csc(COc2ccccc2Cl)n1 ZINC000036084004 182796352 /nfs/dbraw/zinc/79/63/52/182796352.db2.gz PACBHPADICCKJH-UHFFFAOYSA-N 0 0 324.833 3.761 50 0 DHAARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(F)c1 ZINC000036392579 182824047 /nfs/dbraw/zinc/82/40/47/182824047.db2.gz PIHOFGJULXBNEH-UHFFFAOYSA-N 0 0 315.241 3.914 50 0 DHAARN CCc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C)noc2n1 ZINC000036621648 182830479 /nfs/dbraw/zinc/83/04/79/182830479.db2.gz COGJHEPZPCVJRN-NSHDSACASA-N 0 0 309.369 3.585 50 0 DHAARN CC(C)CCC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000036661291 182833936 /nfs/dbraw/zinc/83/39/36/182833936.db2.gz XZRYDMSCDVGIAZ-JJRVBVJISA-N 0 0 305.418 3.546 50 0 DHAARN O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(F)ccc1F ZINC000037108990 182867824 /nfs/dbraw/zinc/86/78/24/182867824.db2.gz PJDMGBVPCPXCDR-GOSISDBHSA-N 0 0 324.330 3.879 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccnc(Cl)c1 ZINC000037978848 182949158 /nfs/dbraw/zinc/94/91/58/182949158.db2.gz PDANDQUIVMIMEP-LBPRGKRZSA-N 0 0 306.818 3.946 50 0 DHAARN COC(=O)c1cc(C(C)(C)C)c(SC(=O)N(C)C)cc1C ZINC000038982837 183013273 /nfs/dbraw/zinc/01/32/73/183013273.db2.gz MFKRARFJOOMHRU-UHFFFAOYSA-N 0 0 309.431 3.853 50 0 DHAARN O=C(Nc1c(F)cccc1F)N1CC[C@H](c2ccccc2)C1 ZINC000038567346 183002938 /nfs/dbraw/zinc/00/29/38/183002938.db2.gz HATGOTWAHIICLN-ZDUSSCGKSA-N 0 0 302.324 3.986 50 0 DHAARN Cc1cc(C(=O)NCc2cc(-c3ccccc3F)on2)c(C)o1 ZINC000038754311 183008350 /nfs/dbraw/zinc/00/83/50/183008350.db2.gz HBEDRWYMOVACGA-UHFFFAOYSA-N 0 0 314.316 3.621 50 0 DHAARN Cc1cc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)c(C)o1 ZINC000038753223 183008627 /nfs/dbraw/zinc/00/86/27/183008627.db2.gz ZGSQKUUQXDVUEX-UHFFFAOYSA-N 0 0 314.316 3.621 50 0 DHAARN CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1cccc(Cl)c1 ZINC000039985856 183026803 /nfs/dbraw/zinc/02/68/03/183026803.db2.gz FYBLVRSLZPRTJS-KRWDZBQOSA-N 0 0 316.832 3.601 50 0 DHAARN Cc1ccccc1[C@H](C)NC(=O)CNc1cc(F)ccc1F ZINC000040007968 183027293 /nfs/dbraw/zinc/02/72/93/183027293.db2.gz UXJLRFAWMGKMGS-LBPRGKRZSA-N 0 0 304.340 3.563 50 0 DHAARN Cc1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)on1 ZINC000040012261 183028432 /nfs/dbraw/zinc/02/84/32/183028432.db2.gz HCJDXAYPRQHCLL-LLVKDONJSA-N 0 0 308.790 3.603 50 0 DHAARN O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000040034747 183028772 /nfs/dbraw/zinc/02/87/72/183028772.db2.gz NYBZHMDIXBMSDM-IEBWSBKVSA-N 0 0 323.440 3.726 50 0 DHAARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)c1 ZINC000040039497 183029219 /nfs/dbraw/zinc/02/92/19/183029219.db2.gz ZLRQSXMVMDLWKI-IBGZPJMESA-N 0 0 324.424 3.739 50 0 DHAARN C[C@@H](NC(=O)N[C@@H](C)CCc1ccco1)c1cccc(F)c1 ZINC000040067893 183030611 /nfs/dbraw/zinc/03/06/11/183030611.db2.gz VROKXFAUNDPBGI-QWHCGFSZSA-N 0 0 304.365 3.800 50 0 DHAARN CC(C)(NC(=O)Cc1ccc(Cl)cc1)[C@@H](O)c1ccccc1 ZINC000039248435 183015762 /nfs/dbraw/zinc/01/57/62/183015762.db2.gz HPRCFCOUBRZYKI-KRWDZBQOSA-N 0 0 317.816 3.511 50 0 DHAARN O=C1c2ccccc2C(=O)N1CCCSc1ccccc1F ZINC000039976034 183025817 /nfs/dbraw/zinc/02/58/17/183025817.db2.gz XXAVFDLVEOVOBL-UHFFFAOYSA-N 0 0 315.369 3.604 50 0 DHAARN Cc1ccc2nc(COc3cccc4c3OC(C)(C)C4)cn2c1 ZINC000040159305 183041242 /nfs/dbraw/zinc/04/12/42/183041242.db2.gz UNLCVKMUARZEDC-UHFFFAOYSA-N 0 0 308.381 3.935 50 0 DHAARN Cc1nc(CSCCC(=O)NCc2cccc(C)c2)cs1 ZINC000040072273 183031437 /nfs/dbraw/zinc/03/14/37/183031437.db2.gz VQSRAONOBHLKJT-UHFFFAOYSA-N 0 0 320.483 3.700 50 0 DHAARN CCN(C(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 ZINC000040080572 183031763 /nfs/dbraw/zinc/03/17/63/183031763.db2.gz OHNKWNUKJMFWPM-UHFFFAOYSA-N 0 0 318.380 3.887 50 0 DHAARN O=C(NCCSC1CCCC1)c1cc(Cl)ccc1F ZINC000040082606 183032026 /nfs/dbraw/zinc/03/20/26/183032026.db2.gz DENWUTMQBKBDJF-UHFFFAOYSA-N 0 0 301.814 3.885 50 0 DHAARN CC(C)c1cccc(OCC(=O)Nc2cccc3c[nH]nc32)c1 ZINC000040087608 183032744 /nfs/dbraw/zinc/03/27/44/183032744.db2.gz ONIPENOEIFPMSN-UHFFFAOYSA-N 0 0 309.369 3.704 50 0 DHAARN Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)c(C)c1 ZINC000040092851 183033485 /nfs/dbraw/zinc/03/34/85/183033485.db2.gz MSUPHDWKXNWZLH-UHFFFAOYSA-N 0 0 310.353 3.512 50 0 DHAARN COc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1OC ZINC000040097635 183034258 /nfs/dbraw/zinc/03/42/58/183034258.db2.gz HVINIDMEOGGTTR-CYBMUJFWSA-N 0 0 314.385 3.629 50 0 DHAARN Cc1nnc(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)s1 ZINC000040105511 183035360 /nfs/dbraw/zinc/03/53/60/183035360.db2.gz DSGLBVNTLILMDE-JTQLQIEISA-N 0 0 320.418 3.516 50 0 DHAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)Cc1ccccc1Cl ZINC000040108327 183036208 /nfs/dbraw/zinc/03/62/08/183036208.db2.gz HUDGYLGSJKDWFL-CZUORRHYSA-N 0 0 309.837 3.594 50 0 DHAARN C[C@H]1CCCC[C@H]1OCCNC(=O)Cc1ccccc1Cl ZINC000040108328 183036304 /nfs/dbraw/zinc/03/63/04/183036304.db2.gz HUDGYLGSJKDWFL-XJKSGUPXSA-N 0 0 309.837 3.594 50 0 DHAARN Cc1cc(C)n(-c2ccc(CC(=O)Nc3cccc(C)c3)cc2)n1 ZINC000040107399 183036411 /nfs/dbraw/zinc/03/64/11/183036411.db2.gz UEJQPRWKSXMBJI-UHFFFAOYSA-N 0 0 319.408 3.979 50 0 DHAARN CCOc1ccc([C@H]2CCCN2C(=O)c2scnc2C)cc1 ZINC000040107408 183036457 /nfs/dbraw/zinc/03/64/57/183036457.db2.gz WBDLZEWKGOZNES-OAHLLOKOSA-N 0 0 316.426 3.828 50 0 DHAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000040111437 183037297 /nfs/dbraw/zinc/03/72/97/183037297.db2.gz NTIPBQVWUXCFOQ-UHFFFAOYSA-N 0 0 314.366 3.729 50 0 DHAARN CN1CCN(C(=O)CCCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000040121033 183038029 /nfs/dbraw/zinc/03/80/29/183038029.db2.gz DAFPCTYTXMEHRZ-HXUWFJFHSA-N 0 0 322.452 3.525 50 0 DHAARN O=C(Cc1ccc2ccccc2c1)NCCSC(F)(F)F ZINC000040119026 183038093 /nfs/dbraw/zinc/03/80/93/183038093.db2.gz XSBPTMUARCFQFO-UHFFFAOYSA-N 0 0 313.344 3.752 50 0 DHAARN O=C(CCCc1ccccc1)Nc1ccccc1-n1cccn1 ZINC000040133816 183038493 /nfs/dbraw/zinc/03/84/93/183038493.db2.gz GOMCSMUEMDNJIB-UHFFFAOYSA-N 0 0 305.381 3.834 50 0 DHAARN CC(C)OCc1ccc(CNC(=O)CCc2ccsc2)cc1 ZINC000040122254 183038852 /nfs/dbraw/zinc/03/88/52/183038852.db2.gz FNVPBDOFVZICED-UHFFFAOYSA-N 0 0 317.454 3.922 50 0 DHAARN CCCCCN(C(=O)NCc1ccc(C(=O)OC)cc1)C(C)C ZINC000040150045 183039941 /nfs/dbraw/zinc/03/99/41/183039941.db2.gz XHWBTIXJQAJGIF-UHFFFAOYSA-N 0 0 320.433 3.583 50 0 DHAARN COC(=O)c1ccc(-c2csc(-c3cccc(O)c3)n2)cc1 ZINC000040450120 183068248 /nfs/dbraw/zinc/06/82/48/183068248.db2.gz QXIFGFIWTDEAGS-UHFFFAOYSA-N 0 0 311.362 3.969 50 0 DHAARN O=C(COc1ccccc1)NCc1nc(-c2ccccc2)cs1 ZINC000040323823 183054303 /nfs/dbraw/zinc/05/43/03/183054303.db2.gz GBXZZYUAQXFPHG-UHFFFAOYSA-N 0 0 324.405 3.505 50 0 DHAARN CCCCn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387643 183060110 /nfs/dbraw/zinc/06/01/10/183060110.db2.gz HNIRWRWOKPZBKI-UHFFFAOYSA-N 0 0 318.380 3.511 50 0 DHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)c1 ZINC000040473016 183074194 /nfs/dbraw/zinc/07/41/94/183074194.db2.gz FMVPBPFTUROYQW-WMLDXEAASA-N 0 0 315.413 3.724 50 0 DHAARN Cn1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000040472959 183074378 /nfs/dbraw/zinc/07/43/78/183074378.db2.gz YAMRCNKBPRJRPH-NSHDSACASA-N 0 0 310.319 3.593 50 0 DHAARN CC(C)c1noc([C@H](C)Sc2n[nH]c(-c3ccccc3)n2)n1 ZINC000040496515 183081224 /nfs/dbraw/zinc/08/12/24/183081224.db2.gz JTPKRFBVSHJXRJ-JTQLQIEISA-N 0 0 315.402 3.831 50 0 DHAARN O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccccc1F ZINC000040501841 183083880 /nfs/dbraw/zinc/08/38/80/183083880.db2.gz UMVWNSNQUJTDME-KRWDZBQOSA-N 0 0 307.324 3.673 50 0 DHAARN Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000040510164 183085929 /nfs/dbraw/zinc/08/59/29/183085929.db2.gz SUBSXUJKIVAEHA-VIFPVBQESA-N 0 0 312.822 3.816 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)s1 ZINC000040510912 183086998 /nfs/dbraw/zinc/08/69/98/183086998.db2.gz FKSCEVSFHMOUMG-UHFFFAOYSA-N 0 0 317.414 3.839 50 0 DHAARN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc[nH]c1=S ZINC000040512430 183087151 /nfs/dbraw/zinc/08/71/51/183087151.db2.gz PDZLMEXWCLXCEH-UHFFFAOYSA-N 0 0 324.365 3.579 50 0 DHAARN Cc1ccc([C@@H](O)CNC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000040525451 183091894 /nfs/dbraw/zinc/09/18/94/183091894.db2.gz BGVFWCKSIXGZFT-KRWDZBQOSA-N 0 0 312.413 3.775 50 0 DHAARN CCCCN(CC)C(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000040527034 183093501 /nfs/dbraw/zinc/09/35/01/183093501.db2.gz SQFJIKPKSUZLBJ-UHFFFAOYSA-N 0 0 300.406 3.585 50 0 DHAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc[nH]c1=S ZINC000040536033 183095443 /nfs/dbraw/zinc/09/54/43/183095443.db2.gz SBSHDNHEHHUNQV-JTQLQIEISA-N 0 0 306.818 3.759 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000040553256 183100361 /nfs/dbraw/zinc/10/03/61/183100361.db2.gz NWOQMBOLOUFMBT-IUCAKERBSA-N 0 0 319.352 3.723 50 0 DHAARN COCc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)cc1 ZINC000040555354 183101886 /nfs/dbraw/zinc/10/18/86/183101886.db2.gz FZVZIVDHXDONMI-UHFFFAOYSA-N 0 0 324.424 3.550 50 0 DHAARN O=C(c1cccs1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000040817605 183137469 /nfs/dbraw/zinc/13/74/69/183137469.db2.gz QZKQXVHZIUUIAN-GFCCVEGCSA-N 0 0 311.410 3.644 50 0 DHAARN Cc1cc(S(=O)(=O)NC2CCCCCC2)ccc1Cl ZINC000041095377 183164583 /nfs/dbraw/zinc/16/45/83/183164583.db2.gz IILPIWXRKNDJKV-UHFFFAOYSA-N 0 0 301.839 3.650 50 0 DHAARN Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(=O)[nH]2)cc1 ZINC000041155038 183178506 /nfs/dbraw/zinc/17/85/06/183178506.db2.gz OTSABKYJBDGQAN-UHFFFAOYSA-N 0 0 303.321 3.966 50 0 DHAARN Cc1ccc(Sc2oc(-c3ccccc3)nc2C(N)=O)cc1 ZINC000041154474 183178650 /nfs/dbraw/zinc/17/86/50/183178650.db2.gz MMVHJHOZWKYHBM-UHFFFAOYSA-N 0 0 310.378 3.900 50 0 DHAARN CCOc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 ZINC000041156710 183179413 /nfs/dbraw/zinc/17/94/13/183179413.db2.gz VNXPDARUGULIGJ-UHFFFAOYSA-N 0 0 313.397 3.511 50 0 DHAARN CCCCNC(=O)N1CCCC[C@@H]1c1nc([C@@H](C)CC)no1 ZINC000041122862 183168246 /nfs/dbraw/zinc/16/82/46/183168246.db2.gz HHFMHNLSBBFEFO-QWHCGFSZSA-N 0 0 308.426 3.620 50 0 DHAARN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000041134430 183170688 /nfs/dbraw/zinc/17/06/88/183170688.db2.gz NRASYENPRNQCJM-DZGCQCFKSA-N 0 0 321.829 3.786 50 0 DHAARN Cc1nc2ccccc2n1CCc1noc(-c2cccs2)n1 ZINC000041146301 183176107 /nfs/dbraw/zinc/17/61/07/183176107.db2.gz GSXHHYILYQHQSY-UHFFFAOYSA-N 0 0 310.382 3.699 50 0 DHAARN Cc1ccc(CN[C@H](c2nccn2C)c2ccccc2)cc1C ZINC000042203590 183242031 /nfs/dbraw/zinc/24/20/31/183242031.db2.gz FKZVUPFQMGLCQM-IBGZPJMESA-N 0 0 305.425 3.916 50 0 DHAARN O=C(c1ccc(Cl)cc1F)N(Cc1ccncc1)C1CC1 ZINC000042655069 183294675 /nfs/dbraw/zinc/29/46/75/183294675.db2.gz LCMFTXYQULSAMU-UHFFFAOYSA-N 0 0 304.752 3.679 50 0 DHAARN CCCCCC(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000042708408 183300325 /nfs/dbraw/zinc/30/03/25/183300325.db2.gz ZFCIAKHUEQGRFQ-UHFFFAOYSA-N 0 0 301.390 3.518 50 0 DHAARN O=C(NCCOc1cccc(F)c1)Nc1ccccc1Cl ZINC000043146234 183341441 /nfs/dbraw/zinc/34/14/41/183341441.db2.gz JHCZVGOSZXZSEZ-UHFFFAOYSA-N 0 0 308.740 3.680 50 0 DHAARN O=C(c1cccc(C2OCCO2)c1)c1ccccc1C(F)(F)F ZINC000043212570 183344926 /nfs/dbraw/zinc/34/49/26/183344926.db2.gz RJFAWJUYLAUIDO-UHFFFAOYSA-N 0 0 322.282 3.982 50 0 DHAARN Cc1csc(NC(=O)NCc2ccc(OC(C)C)cc2)n1 ZINC000043242363 183347238 /nfs/dbraw/zinc/34/72/38/183347238.db2.gz VPROHBZCFNNYNO-UHFFFAOYSA-N 0 0 305.403 3.560 50 0 DHAARN O=C(Nc1c(F)cccc1F)N(Cc1ccccn1)C1CC1 ZINC000043265703 183349266 /nfs/dbraw/zinc/34/92/66/183349266.db2.gz GSFBRVRJANWYIC-UHFFFAOYSA-N 0 0 303.312 3.556 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)NCCC2=CCCCC2)cc1 ZINC000043654002 183377626 /nfs/dbraw/zinc/37/76/26/183377626.db2.gz YIPOQXXWTUUBLK-UHFFFAOYSA-N 0 0 301.390 3.657 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044103343 183394672 /nfs/dbraw/zinc/39/46/72/183394672.db2.gz UEDRZWHMLQNGIU-WBMJQRKESA-N 0 0 315.417 3.735 50 0 DHAARN O=C1[C@H](O)C[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000044126877 183395621 /nfs/dbraw/zinc/39/56/21/183395621.db2.gz XFFOVGVGYNCPGK-HUUCEWRRSA-N 0 0 322.191 3.832 50 0 DHAARN Cc1c(C(=O)NC2CCCCC2)c(C(F)(F)F)nn1C(C)C ZINC000044203997 183398499 /nfs/dbraw/zinc/39/84/99/183398499.db2.gz ABFDVCCIZSKZSE-UHFFFAOYSA-N 0 0 317.355 3.854 50 0 DHAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000044291278 183403764 /nfs/dbraw/zinc/40/37/64/183403764.db2.gz XRUMROJXLWVEFR-CQSZACIVSA-N 0 0 316.445 3.740 50 0 DHAARN Cc1ccc(Oc2ccc(NC(=O)c3cnc(C)cn3)cn2)cc1 ZINC000044799840 183439717 /nfs/dbraw/zinc/43/97/17/183439717.db2.gz ZGNMDAMHGNWLMC-UHFFFAOYSA-N 0 0 320.352 3.533 50 0 DHAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000102701896 193918808 /nfs/dbraw/zinc/91/88/08/193918808.db2.gz OCFMPECODOLVCP-QXIYBXNSSA-N 0 0 313.441 3.544 50 0 DHAARN Cc1noc(C)c1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000045509672 183512931 /nfs/dbraw/zinc/51/29/31/183512931.db2.gz VYQKWHHMEFFVIM-KRWDZBQOSA-N 0 0 310.397 3.974 50 0 DHAARN CCc1noc(-c2ccc(NC(=O)c3cccc(C)c3)cc2)n1 ZINC000046018795 183543918 /nfs/dbraw/zinc/54/39/18/183543918.db2.gz UHUDHZPZWATYJO-UHFFFAOYSA-N 0 0 307.353 3.860 50 0 DHAARN CC(C)(C)n1cc(C(=O)Nc2nc3c(s2)CCCCC3)cn1 ZINC000048250494 183632306 /nfs/dbraw/zinc/63/23/06/183632306.db2.gz QLGJJGGOPAGBDS-UHFFFAOYSA-N 0 0 318.446 3.616 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)no1 ZINC000050559709 183789272 /nfs/dbraw/zinc/78/92/72/183789272.db2.gz YZSDYYFYYVTJBC-SFHVURJKSA-N 0 0 323.396 3.610 50 0 DHAARN C[C@H](NS(=O)(=O)Cc1ccccc1)c1cc2ccccc2o1 ZINC000052782532 183872078 /nfs/dbraw/zinc/87/20/78/183872078.db2.gz SRZNCKGLFBXMFW-ZDUSSCGKSA-N 0 0 315.394 3.613 50 0 DHAARN CCc1ccc(C(=O)NCc2coc(-c3cccs3)n2)s1 ZINC000054121324 183925133 /nfs/dbraw/zinc/92/51/33/183925133.db2.gz ZLSXKQUODFINLR-UHFFFAOYSA-N 0 0 318.423 3.957 50 0 DHAARN COc1ccccc1CN(C(=O)c1sc(C)nc1C)C1CC1 ZINC000055182946 183969701 /nfs/dbraw/zinc/96/97/01/183969701.db2.gz JLIUCKBEBWVFRD-UHFFFAOYSA-N 0 0 316.426 3.573 50 0 DHAARN CC(=O)c1cc(CC(=O)Nc2ccnn2[C@H](C)C(C)C)cs1 ZINC000055212087 183971611 /nfs/dbraw/zinc/97/16/11/183971611.db2.gz JNFJCLZYDSQZGH-LLVKDONJSA-N 0 0 319.430 3.545 50 0 DHAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CC2CC2)s1 ZINC000055519647 183989769 /nfs/dbraw/zinc/98/97/69/183989769.db2.gz DHDHYCGSIOLANH-UHFFFAOYSA-N 0 0 318.417 3.669 50 0 DHAARN O=C(NCc1ccc(OCc2ccccn2)cc1)c1cccs1 ZINC000055649645 183993292 /nfs/dbraw/zinc/99/32/92/183993292.db2.gz AJRNWBQWUZCMBD-UHFFFAOYSA-N 0 0 324.405 3.652 50 0 DHAARN COc1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)cc1OC ZINC000056181538 184006564 /nfs/dbraw/zinc/00/65/64/184006564.db2.gz NCWYIWKJZSXPRZ-GFCCVEGCSA-N 0 0 315.369 3.663 50 0 DHAARN CCC(=O)Nc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000056324733 184010406 /nfs/dbraw/zinc/01/04/06/184010406.db2.gz SSHYYEWZBPBWHX-UHFFFAOYSA-N 0 0 301.321 3.818 50 0 DHAARN Cc1nc2cc(N[C@@H](C)C(=O)N(C)Cc3ccccc3)ccc2o1 ZINC000057157872 184028934 /nfs/dbraw/zinc/02/89/34/184028934.db2.gz ZLUKBBLRDVSVON-ZDUSSCGKSA-N 0 0 323.396 3.595 50 0 DHAARN Cc1noc(C)c1CS[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000057654573 184044334 /nfs/dbraw/zinc/04/43/34/184044334.db2.gz CQCDUTWCZUOXKK-ZDUSSCGKSA-N 0 0 304.415 3.576 50 0 DHAARN COc1cccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)c1 ZINC000057456382 184039162 /nfs/dbraw/zinc/03/91/62/184039162.db2.gz KKWMMYWFTQNADB-LBPRGKRZSA-N 0 0 318.804 3.638 50 0 DHAARN C[C@@H](Sc1nc2ccsc2c(=O)n1C)c1cccc(F)c1 ZINC000057497055 184040390 /nfs/dbraw/zinc/04/03/90/184040390.db2.gz NZQFHPMESZKRRR-SECBINFHSA-N 0 0 320.414 3.987 50 0 DHAARN Cc1cccc(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)c1C ZINC000057739311 184050764 /nfs/dbraw/zinc/05/07/64/184050764.db2.gz HNIRRIHUYDXJCO-OAHLLOKOSA-N 0 0 314.404 3.902 50 0 DHAARN Cc1ccsc1CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000057785020 184052676 /nfs/dbraw/zinc/05/26/76/184052676.db2.gz YPSDVNQZQGUPJA-QGZVFWFLSA-N 0 0 314.454 3.508 50 0 DHAARN CSc1ccc([C@@H](C)NC(=O)CCc2ccccn2)cc1 ZINC000058023470 184069349 /nfs/dbraw/zinc/06/93/49/184069349.db2.gz KUVFLSXSEFMRQP-CYBMUJFWSA-N 0 0 300.427 3.614 50 0 DHAARN CCCCC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000058111062 184076302 /nfs/dbraw/zinc/07/63/02/184076302.db2.gz IDQMEQXCMLZHOC-UHFFFAOYSA-N 0 0 321.424 3.891 50 0 DHAARN Cc1cc(C(=O)N(C)Cc2cccc(O)c2)c2ccc(F)cc2n1 ZINC000058065206 184072762 /nfs/dbraw/zinc/07/27/62/184072762.db2.gz URRTZYBXAOYNNF-UHFFFAOYSA-N 0 0 324.355 3.660 50 0 DHAARN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000058061120 184072971 /nfs/dbraw/zinc/07/29/71/184072971.db2.gz VGJMUWNJMBXZQJ-BBRMVZONSA-N 0 0 305.418 3.507 50 0 DHAARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC3CCCC3)nc2c1 ZINC000057979386 184064173 /nfs/dbraw/zinc/06/41/73/184064173.db2.gz RDWKSHCJLHZQLI-MRXNPFEDSA-N 0 0 312.417 3.660 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000057984956 184064509 /nfs/dbraw/zinc/06/45/09/184064509.db2.gz FJMYSMKWBBEBIX-CYBMUJFWSA-N 0 0 303.431 3.880 50 0 DHAARN CC(C)Cc1ccc([C@H](C)NC(=O)CCCn2cccn2)cc1 ZINC000057994235 184065748 /nfs/dbraw/zinc/06/57/48/184065748.db2.gz FYDBZDZJMGMJTF-INIZCTEOSA-N 0 0 313.445 3.739 50 0 DHAARN CCOCCCCNC(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000058167369 184084129 /nfs/dbraw/zinc/08/41/29/184084129.db2.gz FBIILTBQQZTXPU-UHFFFAOYSA-N 0 0 319.449 3.533 50 0 DHAARN Cc1cnc(C(=O)N(CCc2ccccc2)c2ccccc2)cn1 ZINC000058197159 184086372 /nfs/dbraw/zinc/08/63/72/184086372.db2.gz PMYXDRRDQICOGS-UHFFFAOYSA-N 0 0 317.392 3.675 50 0 DHAARN O=[S@](CCCOc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000058195984 184086748 /nfs/dbraw/zinc/08/67/48/184086748.db2.gz QYLLYGJOMPNKRQ-NRFANRHFSA-N 0 0 310.365 3.683 50 0 DHAARN O=C(CCn1ccnc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000058202808 184087414 /nfs/dbraw/zinc/08/74/14/184087414.db2.gz ZCRPKFSKASOGSV-UHFFFAOYSA-N 0 0 317.698 3.584 50 0 DHAARN Cc1ccc(C[S@](=O)CCCOc2ccc(F)cc2)cc1 ZINC000058203480 184087448 /nfs/dbraw/zinc/08/74/48/184087448.db2.gz APOKDIQLRPSSJR-NRFANRHFSA-N 0 0 306.402 3.852 50 0 DHAARN CC[C@H](C)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F ZINC000058208808 184088040 /nfs/dbraw/zinc/08/80/40/184088040.db2.gz DQPSXXLOXFKUOY-JTQLQIEISA-N 0 0 307.344 3.503 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262525714 /nfs/dbraw/zinc/52/57/14/262525714.db2.gz UQXWRQLHMCDSPH-UHFFFAOYSA-N 0 0 317.439 3.835 50 0 DHAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N(C)C ZINC000000453483 262529540 /nfs/dbraw/zinc/52/95/40/262529540.db2.gz DPBIWEICSVPVNN-UHFFFAOYSA-N 0 0 318.804 3.732 50 0 DHAARN Cc1cc2nnc(-c3nccs3)n2c2cc(Cl)ccc12 ZINC000032587012 262540274 /nfs/dbraw/zinc/54/02/74/262540274.db2.gz CGYVTMFWFYAYLQ-UHFFFAOYSA-N 0 0 300.774 3.968 50 0 DHAARN CSc1nc2c(c(=O)n1C)C1(CCCC1)Cc1ccccc1-2 ZINC000000058708 331458749 /nfs/dbraw/zinc/45/87/49/331458749.db2.gz ATECVHBYXYZOQQ-UHFFFAOYSA-N 0 0 312.438 3.537 50 0 biogenic DHAARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1F ZINC000000452479 331462536 /nfs/dbraw/zinc/46/25/36/331462536.db2.gz NASDEPKIHOOHEE-UHFFFAOYSA-N 0 0 308.765 3.606 50 0 DHAARN COc1ccccc1NC(=S)NCc1ccccc1Cl ZINC000000541026 331463599 /nfs/dbraw/zinc/46/35/99/331463599.db2.gz RHRQLQFCXWOTNF-UHFFFAOYSA-N 0 0 306.818 3.835 50 0 DHAARN CCn1c(SC[C@@H]2CCCCO2)nnc1-c1cccs1 ZINC000007062126 331501049 /nfs/dbraw/zinc/50/10/49/331501049.db2.gz WEZQJFQTWBKGFX-NSHDSACASA-N 0 0 309.460 3.688 50 0 DHAARN Cc1cc(C)c(C)c(S(=O)(=O)N([C@H](C)C2CC2)C2CC2)c1C ZINC000030337031 331619650 /nfs/dbraw/zinc/61/96/50/331619650.db2.gz PNTLRIILNFYJBE-OAHLLOKOSA-N 0 0 321.486 3.872 50 0 DHAARN Nc1nc2c(cc(OC(F)(F)F)cc2Br)s1 ZINC000038440818 331675687 /nfs/dbraw/zinc/67/56/87/331675687.db2.gz UGMJJOPHHBHLNL-UHFFFAOYSA-N 0 0 313.098 3.540 50 0 DHAARN CCN(CCc1nccs1)C(=O)Nc1cccc2[nH]ccc21 ZINC000150881137 332450954 /nfs/dbraw/zinc/45/09/54/332450954.db2.gz ILPOLLJSTCFCAR-UHFFFAOYSA-N 0 0 314.414 3.721 50 0 DHAARN Cc1occc1[S@@](=O)Cc1nc(-c2cccs2)oc1C ZINC000189655276 333208699 /nfs/dbraw/zinc/20/86/99/333208699.db2.gz GGRAODARWTWQJS-FQEVSTJZSA-N 0 0 307.396 3.921 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@@H](O)CC2)c(O)c(C(C)C)c1 ZINC000295053018 334216136 /nfs/dbraw/zinc/21/61/36/334216136.db2.gz XYVBJXQTWLSBJN-OAHLLOKOSA-N 0 0 319.445 3.626 50 0 DHAARN COc1ccc(Cn2cc(-c3nnc(C(C)C)s3)cn2)cc1 ZINC000534632358 334307860 /nfs/dbraw/zinc/30/78/60/334307860.db2.gz VABUGKRPZNZYMB-UHFFFAOYSA-N 0 0 314.414 3.582 50 0 DHAARN Cc1cccnc1[C@@H](NC(=O)CCCc1ccccc1)C1CC1 ZINC000534634113 334308782 /nfs/dbraw/zinc/30/87/82/334308782.db2.gz FHYYRRQAYKKLMF-FQEVSTJZSA-N 0 0 308.425 3.980 50 0 DHAARN Fc1cc(-c2ccc(N3CCCC3)nn2)cc(C(F)(F)F)c1 ZINC000534636586 334309466 /nfs/dbraw/zinc/30/94/66/334309466.db2.gz KTVNVYIOXHPICD-UHFFFAOYSA-N 0 0 311.282 3.902 50 0 DHAARN CCN(CC(F)(F)F)C(=O)N[C@@H](CC(C)C)c1cccnc1 ZINC000534657513 334314609 /nfs/dbraw/zinc/31/46/09/334314609.db2.gz KGGHRIGBBYAOTO-ZDUSSCGKSA-N 0 0 317.355 3.763 50 0 DHAARN CC(C)[C@@H](NC(=O)N1CCc2ccccc2C1)c1cccnc1 ZINC000534673822 334321466 /nfs/dbraw/zinc/32/14/66/334321466.db2.gz WSYCCNGEYOHWAJ-GOSISDBHSA-N 0 0 309.413 3.547 50 0 DHAARN O=C(NCc1ccn(-c2ccccc2)n1)c1cc2ccccc2o1 ZINC000342058096 334505769 /nfs/dbraw/zinc/50/57/69/334505769.db2.gz PVFXVOZXYZBGQY-UHFFFAOYSA-N 0 0 317.348 3.549 50 0 DHAARN O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc2sccc2[nH]1 ZINC000192089350 336015089 /nfs/dbraw/zinc/01/50/89/336015089.db2.gz QABAVCNRJFANPF-NSHDSACASA-N 0 0 316.357 3.622 50 0 DHAARN Cc1ccc2c(c1)CN(Cc1csc(C3CC3)n1)CCO2 ZINC000352813817 336246912 /nfs/dbraw/zinc/24/69/12/336246912.db2.gz CTHTUNJCXYKZMM-UHFFFAOYSA-N 0 0 300.427 3.724 50 0 DHAARN CC(C)(C)c1nnc(NCc2cccc3c2OCCCO3)s1 ZINC000301762985 336328392 /nfs/dbraw/zinc/32/83/92/336328392.db2.gz MSRURIKBDSSVRM-UHFFFAOYSA-N 0 0 319.430 3.609 50 0 DHAARN Cc1csc([C@@H](NC(=O)Nc2cc(C)cc(C)n2)C2CC2)n1 ZINC000097378768 337382871 /nfs/dbraw/zinc/38/28/71/337382871.db2.gz HWKABBDDEIRZQJ-AWEZNQCLSA-N 0 0 316.430 3.736 50 0 DHAARN CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)nc1C ZINC000162253112 337383418 /nfs/dbraw/zinc/38/34/18/337383418.db2.gz YLMGLEPOBCOGPS-OAHLLOKOSA-N 0 0 305.422 3.511 50 0 DHAARN O=C(COc1ccc(F)cc1F)Nc1ccc2scnc2c1 ZINC000195085960 340574083 /nfs/dbraw/zinc/57/40/83/340574083.db2.gz GPLHKGJAOOBPDE-UHFFFAOYSA-N 0 0 320.320 3.592 50 0 DHAARN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1csnn1 ZINC000564830546 341511011 /nfs/dbraw/zinc/51/10/11/341511011.db2.gz WSVXTLRBHVFKSO-CYBMUJFWSA-N 0 0 303.431 3.706 50 0 DHAARN Cc1c[nH]cc1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000578005440 341968523 /nfs/dbraw/zinc/96/85/23/341968523.db2.gz ISFOFIQMMFNGFS-UHFFFAOYSA-N 0 0 320.396 3.775 50 0 DHAARN CC(C)(C)C1CCN(C(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000178927535 341971991 /nfs/dbraw/zinc/97/19/91/341971991.db2.gz YGKWMUZBOWEWIE-CQSZACIVSA-N 0 0 322.474 3.893 50 0 DHAARN CCN(C(=O)Cc1cc(F)c(F)cc1F)[C@H](C)c1cccnc1 ZINC000126192153 519929610 /nfs/dbraw/zinc/92/96/10/519929610.db2.gz RPWCIVRAXMPAIV-LLVKDONJSA-N 0 0 322.330 3.651 50 0 DHAARN CCCc1cnc(NC(=O)[C@H](C)n2cnc3ccccc32)s1 ZINC000180246968 521452474 /nfs/dbraw/zinc/45/24/74/521452474.db2.gz BVMAXSGGDMWDSF-NSHDSACASA-N 0 0 314.414 3.645 50 0 DHAARN COCc1noc([C@@H](C)SC2=Nc3ccccc3CS2)n1 ZINC000181947479 523273764 /nfs/dbraw/zinc/27/37/64/523273764.db2.gz SFFCDLFSDFTIOT-SECBINFHSA-N 0 0 321.427 3.945 50 0 DHAARN O=C(c1cccnc1C(F)(F)F)N1CC[C@@H]1c1ccccc1F ZINC000328588823 534753824 /nfs/dbraw/zinc/75/38/24/534753824.db2.gz QYJDYXYLKZHZFY-CYBMUJFWSA-N 0 0 324.277 3.827 50 0 DHAARN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cncc(C)c2)cc1 ZINC000266320335 525860726 /nfs/dbraw/zinc/86/07/26/525860726.db2.gz GNRXTCONWPTTQQ-MJGOQNOKSA-N 0 0 324.424 3.596 50 0 DHAARN Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C)nc(C(C)C)n1 ZINC000156589631 526571458 /nfs/dbraw/zinc/57/14/58/526571458.db2.gz FFHQMXUKKAFRNA-SNVBAGLBSA-N 0 0 316.405 3.646 50 0 DHAARN COC(=O)c1cccc(-c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000097756986 563541760 /nfs/dbraw/zinc/54/17/60/563541760.db2.gz LLLFQSMLSCBFLX-UHFFFAOYSA-N 0 0 304.729 3.580 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000000209599 563577776 /nfs/dbraw/zinc/57/77/76/563577776.db2.gz IHHWPXRDBQODBS-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN COCCSc1ccc(NC(=O)c2ccncc2Cl)cc1 ZINC000073094361 563598727 /nfs/dbraw/zinc/59/87/27/563598727.db2.gz ODVFJRPVHXQPFD-UHFFFAOYSA-N 0 0 322.817 3.726 50 0 DHAARN O=C(CC(F)(F)F)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206874887 563639850 /nfs/dbraw/zinc/63/98/50/563639850.db2.gz IMCAUMOOQBNBCW-LBPRGKRZSA-N 0 0 303.299 3.874 50 0 DHAARN CCOC[C@H]1CCN(C(=O)Nc2nc([C@@H](C)CC)cs2)C1 ZINC000081637638 563718117 /nfs/dbraw/zinc/71/81/17/563718117.db2.gz SRIMHSOEBQIWAI-RYUDHWBXSA-N 0 0 311.451 3.547 50 0 DHAARN O=C1O[C@H]([C@@H](O)c2cc(Cl)ccc2Cl)c2ccccc21 ZINC000005776677 563724228 /nfs/dbraw/zinc/72/42/28/563724228.db2.gz IZXQIHMIXVGAIY-KBPBESRZSA-N 0 0 309.148 3.939 50 0 DHAARN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cccn1 ZINC000012849827 563844213 /nfs/dbraw/zinc/84/42/13/563844213.db2.gz MKKJAWNBOVAFLR-QMMMGPOBSA-N 0 0 317.698 3.755 50 0 DHAARN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCCCCCC1 ZINC000170631263 563908962 /nfs/dbraw/zinc/90/89/62/563908962.db2.gz BADKWNOWVKMTST-CVEARBPZSA-N 0 0 310.482 3.803 50 0 DHAARN CCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc(C(C)(C)C)s1 ZINC000066739321 563947573 /nfs/dbraw/zinc/94/75/73/563947573.db2.gz XARYYUCNUHBCJD-ZDUSSCGKSA-N 0 0 321.490 3.594 50 0 DHAARN COc1ccc(C)cc1-c1csc(NC(=O)C2CCC2)n1 ZINC000009387732 563955512 /nfs/dbraw/zinc/95/55/12/563955512.db2.gz CBCZKSMEKRCUQT-UHFFFAOYSA-N 0 0 302.399 3.866 50 0 DHAARN O=C1c2ccccc2C(=O)N1CCSc1ccc(Cl)cc1 ZINC000001386041 563281439 /nfs/dbraw/zinc/28/14/39/563281439.db2.gz WQFZHSRNWSTGMY-UHFFFAOYSA-N 0 0 317.797 3.728 50 0 DHAARN CCOc1cc(C=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000002597356 563310629 /nfs/dbraw/zinc/31/06/29/563310629.db2.gz YIZWPZKKYYJJMS-UHFFFAOYSA-N 0 0 304.729 3.770 50 0 DHAARN COc1cc(Br)ccc1NC(=O)OC(C)(C)C ZINC000002580922 563310682 /nfs/dbraw/zinc/31/06/82/563310682.db2.gz LFWHJZGNFWTUIO-UHFFFAOYSA-N 0 0 302.168 3.805 50 0 DHAARN CCOc1ccc(-c2nc(C(=O)N(CC)CC)cs2)cc1 ZINC000034711775 563313613 /nfs/dbraw/zinc/31/36/13/563313613.db2.gz ONXQBPPVYKYWLV-UHFFFAOYSA-N 0 0 304.415 3.691 50 0 DHAARN O=C(CCCOc1ccccc1)NCc1ccc(Cl)cc1 ZINC000002987990 563319859 /nfs/dbraw/zinc/31/98/59/563319859.db2.gz IFJMVTVABQCBSG-UHFFFAOYSA-N 0 0 303.789 3.815 50 0 DHAARN CCN(C)C(=O)c1csc(-c2ccccc2OCC(C)C)n1 ZINC000034714541 563317910 /nfs/dbraw/zinc/31/79/10/563317910.db2.gz FWELIXYVGCUBKV-UHFFFAOYSA-N 0 0 318.442 3.937 50 0 DHAARN CCCCNC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000071909603 563332882 /nfs/dbraw/zinc/33/28/82/563332882.db2.gz XAQNLSQDZYGBRE-NRFANRHFSA-N 0 0 310.463 3.655 50 0 DHAARN CCO[C@@H](C)c1nc(CC(=O)OC[C@@H]2CC=CCC2)cs1 ZINC000071910043 563333316 /nfs/dbraw/zinc/33/33/16/563333316.db2.gz ORNKNGHWVQPNGO-QWHCGFSZSA-N 0 0 309.431 3.683 50 0 DHAARN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)CC ZINC000008714745 563349103 /nfs/dbraw/zinc/34/91/03/563349103.db2.gz QFLJLAGKMSWZJJ-NSHDSACASA-N 0 0 319.854 3.514 50 0 DHAARN C[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1 ZINC000012383835 563368221 /nfs/dbraw/zinc/36/82/21/563368221.db2.gz QMWJTCQILMFCCB-STQMWFEESA-N 0 0 303.789 3.985 50 0 DHAARN CCCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000012404208 563368225 /nfs/dbraw/zinc/36/82/25/563368225.db2.gz ATQMRJVIBKSUKN-UHFFFAOYSA-N 0 0 302.399 3.530 50 0 DHAARN COc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cn1 ZINC000032873809 563405444 /nfs/dbraw/zinc/40/54/44/563405444.db2.gz VBUXNPHVYTXBEE-UHFFFAOYSA-N 0 0 304.434 3.559 50 0 DHAARN CCOc1ccc([C@H](C)NC(=O)C[C@@H]2C=CCC2)cc1OC ZINC000032830858 563401109 /nfs/dbraw/zinc/40/11/09/563401109.db2.gz VZLCIFKCKHQSTB-UONOGXRCSA-N 0 0 303.402 3.627 50 0 DHAARN COc1ccccc1NC(=O)c1ccccc1Br ZINC000000039375 563211501 /nfs/dbraw/zinc/21/15/01/563211501.db2.gz XLUMQWGJUHBUQW-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN COc1ccc(C(=O)NC2CCCCC2)cc1Br ZINC000000038373 563211375 /nfs/dbraw/zinc/21/13/75/563211375.db2.gz TXPSEGUIBIYVOF-UHFFFAOYSA-N 0 0 312.207 3.520 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000000038401 563211389 /nfs/dbraw/zinc/21/13/89/563211389.db2.gz YKMGPPPSYZTKCI-ZDUSSCGKSA-N 0 0 303.789 3.905 50 0 DHAARN C[C@@H](CNC(=O)c1ccccc1Br)c1ccccc1 ZINC000000036059 563211418 /nfs/dbraw/zinc/21/14/18/563211418.db2.gz XWRHQYUBFQYICD-LBPRGKRZSA-N 0 0 318.214 3.983 50 0 DHAARN Cc1ccccc1NC(=O)CSc1nnc(C)c2ccccc21 ZINC000000045627 563211686 /nfs/dbraw/zinc/21/16/86/563211686.db2.gz KQXCKRBGQOOWOV-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1 ZINC000000045005 563211744 /nfs/dbraw/zinc/21/17/44/563211744.db2.gz FQPBMLQDWYMZMD-INIZCTEOSA-N 0 0 322.408 3.603 50 0 DHAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccs1 ZINC000000048287 563211871 /nfs/dbraw/zinc/21/18/71/563211871.db2.gz NSCMIWYTXQDBTP-UHFFFAOYSA-N 0 0 312.346 3.562 50 0 DHAARN CCOC(=O)[C@H](C(=O)Nc1cccc(C)c1)C1CCCCC1 ZINC000000049945 563211872 /nfs/dbraw/zinc/21/18/72/563211872.db2.gz VJGOQIQXPLGGDD-INIZCTEOSA-N 0 0 303.402 3.693 50 0 DHAARN CN(C)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000000060783 563212210 /nfs/dbraw/zinc/21/22/10/563212210.db2.gz WQPZBAZICYRQJL-UHFFFAOYSA-N 0 0 319.202 3.767 50 0 DHAARN Cc1ccc2[nH]c(SCC(=O)OCc3ccccc3)nc2c1 ZINC000000060887 563212230 /nfs/dbraw/zinc/21/22/30/563212230.db2.gz JWLGRNUSCATMKN-UHFFFAOYSA-N 0 0 312.394 3.707 50 0 DHAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(F)cc1 ZINC000000062605 563212342 /nfs/dbraw/zinc/21/23/42/563212342.db2.gz RPGSLWMYWKLKJL-UHFFFAOYSA-N 0 0 310.111 3.933 50 0 DHAARN C[C@H](CC(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000000074194 563213137 /nfs/dbraw/zinc/21/31/37/563213137.db2.gz GITQLUBCNIFZAP-MRVPVSSYSA-N 0 0 315.320 3.689 50 0 DHAARN S=C(NCc1ccncc1)Nc1cc(Cl)ccc1Cl ZINC000000071911 563213157 /nfs/dbraw/zinc/21/31/57/563213157.db2.gz UUSVKGBJFNIGNA-UHFFFAOYSA-N 0 0 312.225 3.875 50 0 DHAARN COc1ccc(Cc2nnc(NC(=O)CC(C)(C)C)s2)cc1 ZINC000000074072 563213412 /nfs/dbraw/zinc/21/34/12/563213412.db2.gz VWKMMOSIWDNNLP-UHFFFAOYSA-N 0 0 319.430 3.512 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 ZINC000000073495 563213620 /nfs/dbraw/zinc/21/36/20/563213620.db2.gz AELOZOCKXSRLTE-SECBINFHSA-N 0 0 311.168 3.794 50 0 DHAARN COc1ccc(-c2nc3sc4c(c3c(=O)o2)CCCC4)cc1 ZINC000000078083 563214010 /nfs/dbraw/zinc/21/40/10/563214010.db2.gz WXRHELRRZLRECR-UHFFFAOYSA-N 0 0 313.378 3.804 50 0 DHAARN 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Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1F ZINC000000148161 563224475 /nfs/dbraw/zinc/22/44/75/563224475.db2.gz VYDNLCHYUJZOPZ-UHFFFAOYSA-N 0 0 308.332 3.640 50 0 DHAARN CCc1ccc(C(=O)Nc2ncc(C)cc2Br)cc1 ZINC000000147811 563224501 /nfs/dbraw/zinc/22/45/01/563224501.db2.gz GFHFJLGMJXWYLP-UHFFFAOYSA-N 0 0 319.202 3.967 50 0 DHAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccccc3)ccc12 ZINC000000150842 563225157 /nfs/dbraw/zinc/22/51/57/563225157.db2.gz LAZNUEBBRKNKGD-ZDUSSCGKSA-N 0 0 323.348 3.507 50 0 DHAARN COc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cn2)c1 ZINC000000155605 563225647 /nfs/dbraw/zinc/22/56/47/563225647.db2.gz DNWNYCSRLQSRMC-UHFFFAOYSA-N 0 0 311.263 3.753 50 0 DHAARN O=C(C1=NNC[C@@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC000000161754 563225666 /nfs/dbraw/zinc/22/56/66/563225666.db2.gz LVHWHBDDDFILQZ-GOSISDBHSA-N 0 0 300.361 3.766 50 0 DHAARN O=S(=O)(Nc1cccc2ccccc21)c1ccc(F)cc1 ZINC000000156189 563225952 /nfs/dbraw/zinc/22/59/52/563225952.db2.gz SHDXDMZWPDHABV-UHFFFAOYSA-N 0 0 301.342 3.780 50 0 DHAARN FC(F)(F)c1cc(N2CCOCC2)c2cccc(Cl)c2n1 ZINC000000171141 563227001 /nfs/dbraw/zinc/22/70/01/563227001.db2.gz WUQAOCQXTXJCBH-UHFFFAOYSA-N 0 0 316.710 3.744 50 0 DHAARN Cn1c(CO)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000000170212 563227037 /nfs/dbraw/zinc/22/70/37/563227037.db2.gz LVZNMUDPCCIPAJ-UHFFFAOYSA-N 0 0 303.214 3.512 50 0 DHAARN CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)CCC2 ZINC000000169171 563227055 /nfs/dbraw/zinc/22/70/55/563227055.db2.gz NGSDYUOEXXLGHF-UHFFFAOYSA-N 0 0 309.365 3.753 50 0 DHAARN O=C(c1ccc(F)cc1)c1coc2ccc(Cl)cc2c1=O ZINC000000193359 563229604 /nfs/dbraw/zinc/22/96/04/563229604.db2.gz NAMZMKBWIMQZSZ-UHFFFAOYSA-N 0 0 302.688 3.817 50 0 DHAARN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000000192500 563229792 /nfs/dbraw/zinc/22/97/92/563229792.db2.gz FBKCHMDLFIWFMF-UHFFFAOYSA-N 0 0 305.399 3.583 50 0 DHAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=O)c2cccnc2)c1 ZINC000000206262 563230510 /nfs/dbraw/zinc/23/05/10/563230510.db2.gz ZXYNSYVOUAGERA-UHFFFAOYSA-N 0 0 304.777 3.990 50 0 DHAARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(F)c1 ZINC000000217284 563231629 /nfs/dbraw/zinc/23/16/29/563231629.db2.gz OZJUGOAGORFWMH-IBGZPJMESA-N 0 0 308.356 3.801 50 0 DHAARN COc1cccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)c1 ZINC000000222948 563231678 /nfs/dbraw/zinc/23/16/78/563231678.db2.gz FLSMAAUFWJLGJS-QZTJIDSGSA-N 0 0 320.396 3.741 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1C ZINC000000225349 563231707 /nfs/dbraw/zinc/23/17/07/563231707.db2.gz CHYNAWBENWULAO-UHFFFAOYSA-N 0 0 305.175 3.713 50 0 DHAARN CCc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 ZINC000000243353 563232877 /nfs/dbraw/zinc/23/28/77/563232877.db2.gz QVLJKZVKALSWTG-UHFFFAOYSA-N 0 0 305.175 3.659 50 0 DHAARN Cc1ccn(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1 ZINC000000241022 563232979 /nfs/dbraw/zinc/23/29/79/563232979.db2.gz QGUDJZHCGYSSSX-UHFFFAOYSA-N 0 0 322.393 3.589 50 0 DHAARN COc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000000275655 563235159 /nfs/dbraw/zinc/23/51/59/563235159.db2.gz DHGBPNKBSNVYHU-UVTDQMKNSA-N 0 0 313.740 3.693 50 0 DHAARN CC1(C)Cc2nc(NC(=O)c3cccs3)sc2C(=O)C1 ZINC000000281042 563235247 /nfs/dbraw/zinc/23/52/47/563235247.db2.gz RPDVHHLKHNIXSL-UHFFFAOYSA-N 0 0 306.412 3.612 50 0 DHAARN O=c1c2c(nc3n1CCCS3)-c1ccccc1CC21CCCC1 ZINC000000295400 563237070 /nfs/dbraw/zinc/23/70/70/563237070.db2.gz MWLYCKKPESAORJ-UHFFFAOYSA-N 0 0 324.449 3.774 50 0 DHAARN O=C1O/C(=C(/c2ccc(Cl)cc2)[N+](=O)[O-])c2ccccc21 ZINC000000295412 563237195 /nfs/dbraw/zinc/23/71/95/563237195.db2.gz VWMJCWAZDPDLFF-YPKPFQOOSA-N 0 0 301.685 3.613 50 0 DHAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(F)cc1 ZINC000000295917 563237414 /nfs/dbraw/zinc/23/74/14/563237414.db2.gz NBZBYTRKXVDUEC-ZROIWOOFSA-N 0 0 301.704 3.824 50 0 DHAARN COc1ccccc1NC(=S)NCc1ccc(Cl)cc1 ZINC000000301679 563237822 /nfs/dbraw/zinc/23/78/22/563237822.db2.gz SSQZHUIOZQWPDQ-UHFFFAOYSA-N 0 0 306.818 3.835 50 0 DHAARN Cc1cccc(NC(=S)N2CCN(c3ccccc3)CC2)c1 ZINC000000300326 563237926 /nfs/dbraw/zinc/23/79/26/563237926.db2.gz HNDVHEHIAOOUOD-UHFFFAOYSA-N 0 0 311.454 3.514 50 0 DHAARN 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COc1cc(OC)cc(C(=O)Nc2cccc(SC)c2)c1 ZINC000000385780 563248600 /nfs/dbraw/zinc/24/86/00/563248600.db2.gz XAGHISHIIKWPMO-UHFFFAOYSA-N 0 0 303.383 3.678 50 0 DHAARN CC(=O)Nc1c(C)cc(Br)c(C)c1Br ZINC000000392835 563249886 /nfs/dbraw/zinc/24/98/86/563249886.db2.gz VXLDZBIHHVXGSE-UHFFFAOYSA-N 0 0 321.012 3.787 50 0 DHAARN Cc1ccc(NC(=O)NCC(C)C)cc1NC(=O)NCC(C)C ZINC000000397020 563250560 /nfs/dbraw/zinc/25/05/60/563250560.db2.gz VJBKKMKOBWSYDH-UHFFFAOYSA-N 0 0 320.437 3.550 50 0 DHAARN CC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1C ZINC000000411188 563252049 /nfs/dbraw/zinc/25/20/49/563252049.db2.gz SPPXEPTZINAQSL-UHFFFAOYSA-N 0 0 302.761 3.859 50 0 DHAARN Nc1cc2ccc1CCc1ccc(cc1Br)CC2 ZINC000000409595 563252075 /nfs/dbraw/zinc/25/20/75/563252075.db2.gz GBLHBYBIRQCNHI-UHFFFAOYSA-N 0 0 302.215 3.915 50 0 DHAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000434493 563253467 /nfs/dbraw/zinc/25/34/67/563253467.db2.gz OBXXGIYSBBDBNT-UHFFFAOYSA-N 0 0 306.724 3.690 50 0 DHAARN O=C(CSCc1ccccc1)NCCc1ccc(Cl)cc1 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/nfs/dbraw/zinc/39/09/99/563390999.db2.gz UTLQXWNENPBQOS-UHFFFAOYSA-N 0 0 310.744 3.950 50 0 DHAARN O=C(Nc1ccccc1N1CCCCCC1)c1cc(C2CC2)[nH]n1 ZINC000032776827 563391730 /nfs/dbraw/zinc/39/17/30/563391730.db2.gz NIVDBMWPBDIYLH-UHFFFAOYSA-N 0 0 324.428 3.920 50 0 DHAARN COc1ccc(-c2nn(CN3CCCC[C@H]3C)c(=S)o2)cc1 ZINC000013942975 563392758 /nfs/dbraw/zinc/39/27/58/563392758.db2.gz HSMZZLMLBKCAII-GFCCVEGCSA-N 0 0 319.430 3.713 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(F)c(F)c3)c2c1 ZINC000013961381 563393360 /nfs/dbraw/zinc/39/33/60/563393360.db2.gz MDJDZKPYIQWGGS-UHFFFAOYSA-N 0 0 314.335 3.727 50 0 DHAARN O=C(Cc1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 ZINC000013973226 563394007 /nfs/dbraw/zinc/39/40/07/563394007.db2.gz IYTOJTJFRFAWIZ-UHFFFAOYSA-N 0 0 305.333 3.750 50 0 DHAARN CCCCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000014022392 563394735 /nfs/dbraw/zinc/39/47/35/563394735.db2.gz RGYDNROHQSYLBF-UHFFFAOYSA-N 0 0 324.380 3.612 50 0 DHAARN COc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3)o2)cc1 ZINC000014139513 563396042 /nfs/dbraw/zinc/39/60/42/563396042.db2.gz LWPGISUQJWVECK-CQSZACIVSA-N 0 0 323.396 3.938 50 0 DHAARN C[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1CCCCC1 ZINC000014114145 563396179 /nfs/dbraw/zinc/39/61/79/563396179.db2.gz HOSYTJIGTNZYNK-CYBMUJFWSA-N 0 0 315.442 3.623 50 0 DHAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccsc2)c1 ZINC000014140381 563396858 /nfs/dbraw/zinc/39/68/58/563396858.db2.gz HAUTWHGSACVSIY-OAHLLOKOSA-N 0 0 317.410 3.743 50 0 DHAARN CC(=O)NCc1ccc(-c2csc(-c3ccsc3)n2)o1 ZINC000014167067 563397081 /nfs/dbraw/zinc/39/70/81/563397081.db2.gz OHYMKGCYIWKCRM-UHFFFAOYSA-N 0 0 304.396 3.768 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)[C@@H](C)n1cnc2ccccc21 ZINC000032815147 563398984 /nfs/dbraw/zinc/39/89/84/563398984.db2.gz ISELFBSRQJYEDN-OAHLLOKOSA-N 0 0 319.408 3.885 50 0 DHAARN COc1ncccc1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000032818790 563398987 /nfs/dbraw/zinc/39/89/87/563398987.db2.gz WYRROCCNFNKTCH-UHFFFAOYSA-N 0 0 311.341 3.607 50 0 DHAARN C[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 ZINC000032825799 563399701 /nfs/dbraw/zinc/39/97/01/563399701.db2.gz RNUCBTKBMKEQJV-QMMMGPOBSA-N 0 0 319.810 3.580 50 0 DHAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ncccc21 ZINC000014791853 563403072 /nfs/dbraw/zinc/40/30/72/563403072.db2.gz VVQXSDXWXRQVEE-GFCCVEGCSA-N 0 0 310.328 3.780 50 0 DHAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000032863319 563403947 /nfs/dbraw/zinc/40/39/47/563403947.db2.gz JZERMIODQOLRJD-CZUORRHYSA-N 0 0 322.424 3.945 50 0 DHAARN C[C@H]1CCCC[C@@H]1NC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000032863293 563403974 /nfs/dbraw/zinc/40/39/74/563403974.db2.gz ITWSQPXRHVCQDU-BBRMVZONSA-N 0 0 324.852 3.939 50 0 DHAARN CCCCc1nnc(NC(=O)[C@H]2Cc3ccccc3S2)s1 ZINC000032878939 563406674 /nfs/dbraw/zinc/40/66/74/563406674.db2.gz RARMECAXJZEGJE-GFCCVEGCSA-N 0 0 319.455 3.536 50 0 DHAARN CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000032883619 563407737 /nfs/dbraw/zinc/40/77/37/563407737.db2.gz URYYATLZMHBJDH-UHFFFAOYSA-N 0 0 311.794 3.577 50 0 DHAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3sccc3C2)o1 ZINC000032883752 563407692 /nfs/dbraw/zinc/40/76/92/563407692.db2.gz DDMJDDLSYJAUHP-DOMZBBRYSA-N 0 0 315.438 3.982 50 0 DHAARN C[C@H](NC(=O)CN1c2ccccc2CC[C@@H]1C)c1cccs1 ZINC000015304137 563409095 /nfs/dbraw/zinc/40/90/95/563409095.db2.gz FXLOZPSAWBTUOI-KBPBESRZSA-N 0 0 314.454 3.767 50 0 DHAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000032931249 563414151 /nfs/dbraw/zinc/41/41/51/563414151.db2.gz REZQBCQQVAOHRP-RNCFNFMXSA-N 0 0 320.647 3.971 50 0 DHAARN CSc1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000015306051 563409233 /nfs/dbraw/zinc/40/92/33/563409233.db2.gz FXKMYTMWCUHVOB-UHFFFAOYSA-N 0 0 310.378 3.915 50 0 DHAARN Cc1cnc([C@@H](C)NC(=O)Nc2cccc3[nH]ccc32)s1 ZINC000078538714 563410304 /nfs/dbraw/zinc/41/03/04/563410304.db2.gz CKCSYENPBICMEI-SNVBAGLBSA-N 0 0 300.387 3.816 50 0 DHAARN CCC[C@H](NC(=O)c1ccc(C(=O)OC)s1)c1ccccc1 ZINC000032906557 563410864 /nfs/dbraw/zinc/41/08/64/563410864.db2.gz BOEMIEDWLQHKTI-ZDUSSCGKSA-N 0 0 317.410 3.806 50 0 DHAARN COc1cc2cc(C(=O)Nc3ccc(F)cc3)[nH]c2c(OC)c1 ZINC000032909679 563410950 /nfs/dbraw/zinc/41/09/50/563410950.db2.gz HBPWUGWDBRZKDO-UHFFFAOYSA-N 0 0 314.316 3.577 50 0 DHAARN COc1cccc(CNC(=O)c2sc(C(C)C)nc2C)c1 ZINC000032924103 563412928 /nfs/dbraw/zinc/41/29/28/563412928.db2.gz FGKYIUOPSNUBCW-UHFFFAOYSA-N 0 0 304.415 3.514 50 0 DHAARN C[C@H](NC(=O)Cc1cccc(F)c1)c1cccc(OC(F)F)c1 ZINC000032930437 563413505 /nfs/dbraw/zinc/41/35/05/563413505.db2.gz GFQRHXMSCMYXLQ-NSHDSACASA-N 0 0 323.314 3.847 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 ZINC000032930808 563414288 /nfs/dbraw/zinc/41/42/88/563414288.db2.gz HZXQUYHUFHDZNQ-UHFFFAOYSA-N 0 0 321.336 3.530 50 0 DHAARN Cc1cccc(NC(=O)CCc2nc(Cc3ccccc3)no2)c1 ZINC000032930961 563414323 /nfs/dbraw/zinc/41/43/23/563414323.db2.gz XBIJVFPDBVHABI-UHFFFAOYSA-N 0 0 321.380 3.540 50 0 DHAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)[C@@H]4CCCO4)cc3)nc2c1 ZINC000017360219 563414534 /nfs/dbraw/zinc/41/45/34/563414534.db2.gz LAIWVHLQXOQFKD-KRWDZBQOSA-N 0 0 321.380 3.656 50 0 DHAARN Clc1ccc2c(c1)ncnc2NCCCNc1ccccn1 ZINC000032935579 563415042 /nfs/dbraw/zinc/41/50/42/563415042.db2.gz RLZUPSRQPDIWHA-UHFFFAOYSA-N 0 0 313.792 3.592 50 0 DHAARN CCN(CC)C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000072008151 563417423 /nfs/dbraw/zinc/41/74/23/563417423.db2.gz ZPOOBNOOYSKKNX-UHFFFAOYSA-N 0 0 309.316 3.710 50 0 DHAARN CCCCNc1ncnc2sc3c(c21)CCN(CCC)C3 ZINC000020547219 563417730 /nfs/dbraw/zinc/41/77/30/563417730.db2.gz HVSWJMBSSJJWTD-UHFFFAOYSA-N 0 0 304.463 3.671 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(F)c1 ZINC000022558444 563419307 /nfs/dbraw/zinc/41/93/07/563419307.db2.gz OXFWWFREBXRYNE-UHFFFAOYSA-N 0 0 311.360 3.685 50 0 DHAARN COc1ccccc1C1=N/C(=C\c2ccc([C@@H]3C[C@H]3C)o2)C(=O)O1 ZINC000025318143 563421874 /nfs/dbraw/zinc/42/18/74/563421874.db2.gz NDLRFSLZRLMBIR-IHIBIECDSA-N 0 0 323.348 3.756 50 0 DHAARN C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)Cc1ccccc1 ZINC000025417838 563422716 /nfs/dbraw/zinc/42/27/16/563422716.db2.gz HXASQENKEMOQKF-HNNXBMFYSA-N 0 0 319.408 3.694 50 0 DHAARN Cc1nc(C)c(C(=O)OCc2csc(-c3ccco3)n2)s1 ZINC000025452334 563422956 /nfs/dbraw/zinc/42/29/56/563422956.db2.gz JDEGRKYHTKRFFM-UHFFFAOYSA-N 0 0 320.395 3.833 50 0 DHAARN O=C(C[C@@H]1C=CCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025841874 563424134 /nfs/dbraw/zinc/42/41/34/563424134.db2.gz ZEEICKIQJUIPRN-CQSZACIVSA-N 0 0 309.413 3.625 50 0 DHAARN COc1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000025949891 563424255 /nfs/dbraw/zinc/42/42/55/563424255.db2.gz TVTWMBZAXAVEQA-UHFFFAOYSA-N 0 0 310.328 3.943 50 0 DHAARN O=C(/C=C/c1cccs1)NCc1coc(-c2cccs2)n1 ZINC000026064676 563424596 /nfs/dbraw/zinc/42/45/96/563424596.db2.gz ICKVYFLPHQPAKA-AATRIKPKSA-N 0 0 316.407 3.794 50 0 DHAARN Cc1cc(C)n(CCCNC(=O)Nc2cccc3ccccc32)n1 ZINC000011004756 563424986 /nfs/dbraw/zinc/42/49/86/563424986.db2.gz KJFUCXZLJKAHMH-UHFFFAOYSA-N 0 0 322.412 3.865 50 0 DHAARN CC(=O)Nc1cccc(-n2c(SC(C)C)nnc2C2CC2)c1 ZINC000026139920 563425056 /nfs/dbraw/zinc/42/50/56/563425056.db2.gz GMZXFVAIAORRSZ-UHFFFAOYSA-N 0 0 316.430 3.604 50 0 DHAARN C[C@H](Nc1nc2ccccc2s1)C(=O)N1CCc2ccccc21 ZINC000026456727 563426071 /nfs/dbraw/zinc/42/60/71/563426071.db2.gz IPZLBTIZTIKGGK-LBPRGKRZSA-N 0 0 323.421 3.686 50 0 DHAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000026861594 563426859 /nfs/dbraw/zinc/42/68/59/563426859.db2.gz SKCBYEJSLQGAAI-UHFFFAOYSA-N 0 0 310.806 3.595 50 0 DHAARN COc1cc(Cl)c(NC(=O)c2cccc(F)c2)cc1OC ZINC000011013944 563427168 /nfs/dbraw/zinc/42/71/68/563427168.db2.gz YYTVYYXWEWRSTF-UHFFFAOYSA-N 0 0 309.724 3.749 50 0 DHAARN CCN(CC)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000027475050 563428026 /nfs/dbraw/zinc/42/80/26/563428026.db2.gz VMVKTOAHSQPVTE-SFHVURJKSA-N 0 0 323.392 3.623 50 0 DHAARN Cc1ncc(CNC(=O)c2ccc3nc(Cl)ccc3c2)s1 ZINC000072271344 563428164 /nfs/dbraw/zinc/42/81/64/563428164.db2.gz ZUALCKJLBQJVHN-UHFFFAOYSA-N 0 0 317.801 3.583 50 0 DHAARN Cc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072272095 563428692 /nfs/dbraw/zinc/42/86/92/563428692.db2.gz CHUUPQYXZBDILB-CQSZACIVSA-N 0 0 316.426 3.584 50 0 DHAARN Cc1cccnc1NC(=O)CSCc1ccc(Cl)s1 ZINC000027651091 563428700 /nfs/dbraw/zinc/42/87/00/563428700.db2.gz UUWHFKAHLSLMQD-UHFFFAOYSA-N 0 0 312.847 3.977 50 0 DHAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1C ZINC000027664254 563429425 /nfs/dbraw/zinc/42/94/25/563429425.db2.gz PRJHDQKPSLQEOH-UHFFFAOYSA-N 0 0 322.364 3.976 50 0 DHAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1Cl ZINC000027846651 563430144 /nfs/dbraw/zinc/43/01/44/563430144.db2.gz LZIRGUAJHDHHEE-CQSZACIVSA-N 0 0 314.816 3.596 50 0 DHAARN Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c(F)c1 ZINC000011028184 563430973 /nfs/dbraw/zinc/43/09/73/563430973.db2.gz SFBZIJDNQNALQY-UHFFFAOYSA-N 0 0 311.715 3.944 50 0 DHAARN COc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1 ZINC000029053268 563433069 /nfs/dbraw/zinc/43/30/69/563433069.db2.gz XRYFALNQXSBILB-UHFFFAOYSA-N 0 0 309.369 3.533 50 0 DHAARN CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000028879198 563433247 /nfs/dbraw/zinc/43/32/47/563433247.db2.gz RIMJDRLTCDMEEI-GOSISDBHSA-N 0 0 321.424 3.502 50 0 DHAARN CCOc1cc2c(cc1NC(=O)CCc1ccco1)O[C@@H](C)C2 ZINC000029129861 563433880 /nfs/dbraw/zinc/43/38/80/563433880.db2.gz DYYUQBYMZRSFDI-LBPRGKRZSA-N 0 0 315.369 3.573 50 0 DHAARN Cc1[nH]c2ccc(C(=O)N3CCn4cccc4[C@@H]3C)cc2c1C ZINC000029378145 563434007 /nfs/dbraw/zinc/43/40/07/563434007.db2.gz WBMFRWPNWXKTEC-AWEZNQCLSA-N 0 0 307.397 3.803 50 0 DHAARN COc1cc(C)c(NC(=O)c2ccc3c(c2)CCC3)cc1OC ZINC000029358316 563434045 /nfs/dbraw/zinc/43/40/45/563434045.db2.gz LDZDCHPYHRQDPJ-UHFFFAOYSA-N 0 0 311.381 3.753 50 0 DHAARN CCCC[C@@H](CC)CNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000029431509 563434223 /nfs/dbraw/zinc/43/42/23/563434223.db2.gz TTZVWYYYHIFOBR-CQSZACIVSA-N 0 0 316.449 3.531 50 0 DHAARN CN(CC(=O)Nc1cc(F)ccc1F)[C@H]1CCc2ccccc21 ZINC000029483643 563434875 /nfs/dbraw/zinc/43/48/75/563434875.db2.gz MWMXQPUTQYFNSR-KRWDZBQOSA-N 0 0 316.351 3.523 50 0 DHAARN C[C@@H](OC1CCCC1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000072285928 563435434 /nfs/dbraw/zinc/43/54/34/563435434.db2.gz NOBMMSFYAUIWLE-OCCSQVGLSA-N 0 0 308.447 3.544 50 0 DHAARN C[C@@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C[C@@H](C)O1 ZINC000029736172 563435575 /nfs/dbraw/zinc/43/55/75/563435575.db2.gz QLNWPLRLOMMCDI-CHWSQXEVSA-N 0 0 314.429 3.715 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)n1 ZINC000029756866 563436285 /nfs/dbraw/zinc/43/62/85/563436285.db2.gz ORCBBWDOANHIJG-UHFFFAOYSA-N 0 0 319.364 3.616 50 0 DHAARN COc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000011058629 563436290 /nfs/dbraw/zinc/43/62/90/563436290.db2.gz OOYDKMKEOITCCY-UHFFFAOYSA-N 0 0 321.380 3.750 50 0 DHAARN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)Cc1ccco1 ZINC000030276261 563436692 /nfs/dbraw/zinc/43/66/92/563436692.db2.gz RZXIVAUNXCQDNV-JTQLQIEISA-N 0 0 310.756 3.531 50 0 DHAARN CCOc1ncccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000030308814 563436780 /nfs/dbraw/zinc/43/67/80/563436780.db2.gz ITTAXCWPMSUCAF-UHFFFAOYSA-N 0 0 323.396 3.508 50 0 DHAARN CSc1ccccc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000030584615 563437646 /nfs/dbraw/zinc/43/76/46/563437646.db2.gz NHPLLTMNYGBYSX-UHFFFAOYSA-N 0 0 311.366 3.711 50 0 DHAARN C[C@@H](C(=O)N[C@@H](c1ccccc1)C1CC1)n1cnc2ccccc21 ZINC000030603599 563437791 /nfs/dbraw/zinc/43/77/91/563437791.db2.gz MYYIVYQPSASZMM-LIRRHRJNSA-N 0 0 319.408 3.865 50 0 DHAARN Clc1ccc2c3ccnn3c(SCc3ccon3)nc2c1 ZINC000030953018 563439798 /nfs/dbraw/zinc/43/97/98/563439798.db2.gz KNINAYJZSSMLMG-UHFFFAOYSA-N 0 0 316.773 3.816 50 0 DHAARN CN1/C(=C\C(=O)Nc2ccccc2)c2ccccc2CC1(C)C ZINC000031857524 563441280 /nfs/dbraw/zinc/44/12/80/563441280.db2.gz PANYDBOUIPAGQU-AQTBWJFISA-N 0 0 306.409 3.933 50 0 DHAARN Cc1ccc(NC[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000032204761 563441946 /nfs/dbraw/zinc/44/19/46/563441946.db2.gz IKZNHEBRGOQSNY-OAHLLOKOSA-N 0 0 306.203 3.903 50 0 DHAARN COc1ccc2c(c1)C[C@H](c1nc(-c3cccs3)no1)CO2 ZINC000032561756 563442823 /nfs/dbraw/zinc/44/28/23/563442823.db2.gz OGOCFQGERVMJFH-NSHDSACASA-N 0 0 314.366 3.525 50 0 DHAARN Cc1nc2ccc(NC(=O)Cc3ccn(C(C)C)n3)cc2s1 ZINC000072302645 563443471 /nfs/dbraw/zinc/44/34/71/563443471.db2.gz XYVBEVNCWCGKBZ-UHFFFAOYSA-N 0 0 314.414 3.563 50 0 DHAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1cccc(F)c1)c3=O ZINC000033089085 563444941 /nfs/dbraw/zinc/44/49/41/563444941.db2.gz QGFGVBFOQBPJEJ-NSHDSACASA-N 0 0 322.339 3.510 50 0 DHAARN COC(=O)/C(=C/N(C)C)Sc1cc(C)c(Cl)cc1Cl ZINC000033381015 563445679 /nfs/dbraw/zinc/44/56/79/563445679.db2.gz IVRCIMDZTUJFEU-GHXNOFRVSA-N 0 0 320.241 3.970 50 0 DHAARN CC[C@H](NC(=O)c1cccc(Cl)c1Cl)c1noc(C)n1 ZINC000072309282 563446101 /nfs/dbraw/zinc/44/61/01/563446101.db2.gz SBCIUINRTGFGKU-JTQLQIEISA-N 0 0 314.172 3.566 50 0 DHAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1cccnc1 ZINC000000248353 563447620 /nfs/dbraw/zinc/44/76/20/563447620.db2.gz RJYAZEZWLZYQMC-UHFFFAOYSA-N 0 0 303.317 3.532 50 0 DHAARN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1c1ccccc1 ZINC000001686910 563448222 /nfs/dbraw/zinc/44/82/22/563448222.db2.gz WKWXXBAPHABXEQ-FQEVSTJZSA-N 0 0 301.345 3.540 50 0 DHAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(F)c(F)c3)sc2C1 ZINC000001506338 563448333 /nfs/dbraw/zinc/44/83/33/563448333.db2.gz 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/nfs/dbraw/zinc/45/41/93/563454193.db2.gz DXYCIDHTXRQRRL-UHFFFAOYSA-N 0 0 307.353 3.860 50 0 DHAARN O=C1C[C@H](c2ccccc2)c2ncn(-c3cccc(Cl)c3)c2N1 ZINC000036359374 563454750 /nfs/dbraw/zinc/45/47/50/563454750.db2.gz WEPCCFXTPLOILR-OAHLLOKOSA-N 0 0 323.783 4.000 50 0 DHAARN O=C1CC(c2ccc(Cl)cc2)CC(=O)N1c1ccc(F)cc1 ZINC000032985303 563458814 /nfs/dbraw/zinc/45/88/14/563458814.db2.gz VQCNZWJBTKSRLL-UHFFFAOYSA-N 0 0 317.747 3.916 50 0 DHAARN Cc1nc(-c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)no1 ZINC000032996542 563459683 /nfs/dbraw/zinc/45/96/83/563459683.db2.gz SFPYYTLOBBDWFP-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)C2 ZINC000071818764 563460990 /nfs/dbraw/zinc/46/09/90/563460990.db2.gz UQYOUMNQGQJWAL-DOTOQJQBSA-N 0 0 312.438 3.704 50 0 DHAARN CCNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC000032999482 563461188 /nfs/dbraw/zinc/46/11/88/563461188.db2.gz VKOCORYUSKTNSD-UHFFFAOYSA-N 0 0 319.817 3.799 50 0 DHAARN O=C(Oc1cccc(-c2nnco2)c1)c1cc2cc(F)ccc2[nH]1 ZINC000071859275 563464671 /nfs/dbraw/zinc/46/46/71/563464671.db2.gz BDKCEWXSLGQYPK-UHFFFAOYSA-N 0 0 323.283 3.576 50 0 DHAARN CC[C@H](C)[C@H](C)NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000071862878 563464858 /nfs/dbraw/zinc/46/48/58/563464858.db2.gz IVHBKWBGKOECSX-QWRGUYRKSA-N 0 0 306.431 3.805 50 0 DHAARN CCOc1cccc(CN(C(=O)c2[nH]c(C)cc2C)C2CC2)c1 ZINC000055054773 563470536 /nfs/dbraw/zinc/47/05/36/563470536.db2.gz DWJZWYNOWSNZBK-UHFFFAOYSA-N 0 0 312.413 3.835 50 0 DHAARN CCCCn1ncc(C)c1NC(=O)COc1ccccc1Cl ZINC000055243144 563472587 /nfs/dbraw/zinc/47/25/87/563472587.db2.gz HXBCLIWYSFTUIP-UHFFFAOYSA-N 0 0 321.808 3.663 50 0 DHAARN CCn1ccc(C(=O)N(Cc2ccccc2Cl)C(C)C)n1 ZINC000055226507 563472667 /nfs/dbraw/zinc/47/26/67/563472667.db2.gz SNMVHEPYOKSDQC-UHFFFAOYSA-N 0 0 305.809 3.607 50 0 DHAARN CSc1ccc(CN(C(=O)c2cnccc2C)C2CC2)cc1 ZINC000055200189 563472735 /nfs/dbraw/zinc/47/27/35/563472735.db2.gz ZJCYVLAFULEFLK-UHFFFAOYSA-N 0 0 312.438 3.917 50 0 DHAARN CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1ccc2[nH]cnc2c1 ZINC000055269691 563472845 /nfs/dbraw/zinc/47/28/45/563472845.db2.gz GYBPGKMWOOKEPH-CYBMUJFWSA-N 0 0 311.385 3.843 50 0 DHAARN CC[C@H](C(=O)N(C/C=C/c1ccccc1)CCO)c1ccccc1 ZINC000055283546 563473387 /nfs/dbraw/zinc/47/33/87/563473387.db2.gz NWUPJORRMZUEKZ-JTPHSUOKSA-N 0 0 323.436 3.715 50 0 DHAARN CC[C@@H](C)N(Cc1cccnc1)C(=O)c1ccc(C(C)=O)s1 ZINC000055270972 563473429 /nfs/dbraw/zinc/47/34/29/563473429.db2.gz LXGHNRWVTIOSHI-GFCCVEGCSA-N 0 0 316.426 3.787 50 0 DHAARN COc1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000055291911 563473579 /nfs/dbraw/zinc/47/35/79/563473579.db2.gz OSPMWQLNNLFNSG-UHFFFAOYSA-N 0 0 316.832 3.671 50 0 DHAARN Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2(C)CC2)c1 ZINC000055393743 563475744 /nfs/dbraw/zinc/47/57/44/563475744.db2.gz CXRJYJPIVIUVFU-UHFFFAOYSA-N 0 0 308.381 3.986 50 0 DHAARN Fc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000055543664 563476456 /nfs/dbraw/zinc/47/64/56/563476456.db2.gz HPOJWPOOOJEWSN-UHFFFAOYSA-N 0 0 304.796 3.801 50 0 DHAARN CCSc1ccccc1NC(=O)NCC1(CCOC)CC1 ZINC000095426819 563477957 /nfs/dbraw/zinc/47/79/57/563477957.db2.gz XGXQCTJRNWFDMD-UHFFFAOYSA-N 0 0 308.447 3.737 50 0 DHAARN C[C@H](CC[C@@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000058341157 563478849 /nfs/dbraw/zinc/47/88/49/563478849.db2.gz ZXMYTRSBCJPMFG-CJNGLKHVSA-N 0 0 321.848 3.836 50 0 DHAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nnc(C2CC2)s1 ZINC000060553920 563479329 /nfs/dbraw/zinc/47/93/29/563479329.db2.gz OUWDNCZYKKEGQH-UHFFFAOYSA-N 0 0 317.345 3.862 50 0 DHAARN CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000059054963 563479665 /nfs/dbraw/zinc/47/96/65/563479665.db2.gz NDFWMFRAUHLMJY-LLVKDONJSA-N 0 0 303.337 3.933 50 0 DHAARN O=C(c1ccc(-c2cnco2)cc1)N1CCOc2cc(F)ccc21 ZINC000096411098 563480105 /nfs/dbraw/zinc/48/01/05/563480105.db2.gz KKOXIHVNRBSPML-UHFFFAOYSA-N 0 0 324.311 3.520 50 0 DHAARN Cc1cccc([C@@H](C)CNC(=O)N(C)[C@@H](C)c2ccncc2)c1 ZINC000096421640 563480992 /nfs/dbraw/zinc/48/09/92/563480992.db2.gz KFLABRZNZDONGO-HOTGVXAUSA-N 0 0 311.429 3.896 50 0 DHAARN O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cccs1 ZINC000096417234 563480999 /nfs/dbraw/zinc/48/09/99/563480999.db2.gz HIONRNKNEGPHFV-LBPRGKRZSA-N 0 0 320.389 3.730 50 0 DHAARN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096422437 563481381 /nfs/dbraw/zinc/48/13/81/563481381.db2.gz FVPQTRHDRYPKQQ-TYNCELHUSA-N 0 0 314.360 3.846 50 0 DHAARN CSc1ccc(NC(=O)NCc2cnc(C)s2)cc1F ZINC000096435423 563481563 /nfs/dbraw/zinc/48/15/63/563481563.db2.gz PDYNJEOBLSHIER-UHFFFAOYSA-N 0 0 311.407 3.634 50 0 DHAARN CC[C@H]1CN(C(=O)Nc2cccc([C@H](C)OC)c2)CCS1 ZINC000096434540 563482255 /nfs/dbraw/zinc/48/22/55/563482255.db2.gz VRTUCOLZILKZPX-WFASDCNBSA-N 0 0 308.447 3.753 50 0 DHAARN Cc1ncoc1C(=O)Oc1ccc(Sc2ccncc2)cc1 ZINC000096447897 563482933 /nfs/dbraw/zinc/48/29/33/563482933.db2.gz SYEMHPKIWDZIRB-UHFFFAOYSA-N 0 0 312.350 3.748 50 0 DHAARN CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C2CCCC2)s1 ZINC000096454213 563483088 /nfs/dbraw/zinc/48/30/88/563483088.db2.gz RPRAFKROIPYZMX-OCCSQVGLSA-N 0 0 322.474 3.954 50 0 DHAARN CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1CCCOC1 ZINC000096449484 563483098 /nfs/dbraw/zinc/48/30/98/563483098.db2.gz XNXUMCHABPOYHP-ZDUSSCGKSA-N 0 0 311.372 3.520 50 0 DHAARN c1nc(-c2ccccc2OCc2ncc(-c3ccccc3)o2)n[nH]1 ZINC000096484299 563484991 /nfs/dbraw/zinc/48/49/91/563484991.db2.gz UMWOTDXAIFVTMT-UHFFFAOYSA-N 0 0 318.336 3.706 50 0 DHAARN CCn1nc(C)c([C@@H](C)NC(=O)c2cc3ccccc3n2C)c1C ZINC000067654268 563488780 /nfs/dbraw/zinc/48/87/80/563488780.db2.gz WPCAKYPWFREWOG-GFCCVEGCSA-N 0 0 324.428 3.503 50 0 DHAARN Cc1ccc(Cl)c(-c2nccn2CCCn2ccnc2)c1F ZINC000067713349 563489426 /nfs/dbraw/zinc/48/94/26/563489426.db2.gz LYICPFCYYSPENA-UHFFFAOYSA-N 0 0 318.783 3.938 50 0 DHAARN Cc1ccccc1-c1cccc(C(=O)N(C)Cc2ncc[nH]2)c1 ZINC000067774474 563490677 /nfs/dbraw/zinc/49/06/77/563490677.db2.gz ZTQPWCXGFGTKPK-UHFFFAOYSA-N 0 0 305.381 3.657 50 0 DHAARN Cc1ccccc1-c1cccc(C(=O)N[C@H](C)c2cnn(C)c2)c1 ZINC000067834228 563491450 /nfs/dbraw/zinc/49/14/50/563491450.db2.gz FSFMAQPAZIYTMS-OAHLLOKOSA-N 0 0 319.408 3.887 50 0 DHAARN Cc1ccsc1-c1nc(CN2CCC[C@@](C)(CO)C2)c(C)o1 ZINC000067910438 563492854 /nfs/dbraw/zinc/49/28/54/563492854.db2.gz RGPVLGHRBSSLTB-QGZVFWFLSA-N 0 0 320.458 3.614 50 0 DHAARN Cc1cc(C)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1C ZINC000067965608 563494302 /nfs/dbraw/zinc/49/43/02/563494302.db2.gz DXBMEDHYAFIMGD-UHFFFAOYSA-N 0 0 323.440 3.855 50 0 DHAARN CC1(C)CCCC2=C1C[C@@H]1C(=O)N(c3ccccc3)NC(=O)[C@@H]1C2 ZINC000004675061 563497191 /nfs/dbraw/zinc/49/71/91/563497191.db2.gz CTYPHZKNPXLIOK-CVEARBPZSA-N 0 0 324.424 3.597 50 0 DHAARN CC(C)NC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033129574 563497338 /nfs/dbraw/zinc/49/73/38/563497338.db2.gz ANONPOMCLYHJSA-UHFFFAOYSA-N 0 0 307.353 3.542 50 0 DHAARN CC(C)OCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000070868215 563497786 /nfs/dbraw/zinc/49/77/86/563497786.db2.gz IJVOLBIMMYQNEN-UHFFFAOYSA-N 0 0 323.286 3.520 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000033146355 563497925 /nfs/dbraw/zinc/49/79/25/563497925.db2.gz DJIXOOVSHBOLFS-INIZCTEOSA-N 0 0 314.772 3.780 50 0 DHAARN COc1ccc(CNc2cc(C)ccc2NC(C)=O)cc1F ZINC000097080254 563504817 /nfs/dbraw/zinc/50/48/17/563504817.db2.gz ZIMQNWUNRBGXTG-UHFFFAOYSA-N 0 0 302.349 3.713 50 0 DHAARN c1csc(-c2nnc(NCc3csc(C4CC4)n3)o2)c1 ZINC000097114548 563505909 /nfs/dbraw/zinc/50/59/09/563505909.db2.gz XZSJAUJSTDUPIA-UHFFFAOYSA-N 0 0 304.400 3.744 50 0 DHAARN CC(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000097143234 563506961 /nfs/dbraw/zinc/50/69/61/563506961.db2.gz BJEFDNDVORUICD-OALUTQOASA-N 0 0 323.392 3.539 50 0 DHAARN O=C1[C@H](Sc2nncc3ccccc32)CCN1c1ccccc1 ZINC000097141654 563507094 /nfs/dbraw/zinc/50/70/94/563507094.db2.gz LKHXSCFGTUZEJU-MRXNPFEDSA-N 0 0 321.405 3.527 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC000097162358 563507494 /nfs/dbraw/zinc/50/74/94/563507494.db2.gz GPGVGXCAAGSBKM-GFCCVEGCSA-N 0 0 324.428 3.919 50 0 DHAARN Cc1cc(C)nc(N(C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000097150691 563507719 /nfs/dbraw/zinc/50/77/19/563507719.db2.gz OMHNHEVDPILSPO-UHFFFAOYSA-N 0 0 311.307 3.628 50 0 DHAARN CNc1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)cs1 ZINC000077321174 563509382 /nfs/dbraw/zinc/50/93/82/563509382.db2.gz NRTFEVDJNBFOCJ-CQSZACIVSA-N 0 0 319.405 3.691 50 0 DHAARN CCc1noc(-c2cccc(-n3ccnc3-c3ccncc3)c2)n1 ZINC000077458427 563510893 /nfs/dbraw/zinc/51/08/93/563510893.db2.gz WBUVOTNNJIMMDD-UHFFFAOYSA-N 0 0 317.352 3.547 50 0 DHAARN CC[C@H](c1nc(C)no1)n1ccnc1-c1ccccc1SC ZINC000077521569 563511555 /nfs/dbraw/zinc/51/15/55/563511555.db2.gz UVLMZMMZONPABV-CYBMUJFWSA-N 0 0 314.414 3.963 50 0 DHAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1 ZINC000077524673 563511580 /nfs/dbraw/zinc/51/15/80/563511580.db2.gz IGBNMZZBHSROBF-QGZVFWFLSA-N 0 0 317.429 3.758 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCCCc2nccs2)s1 ZINC000097212295 563513464 /nfs/dbraw/zinc/51/34/64/563513464.db2.gz DRWQZOUSCWBZFY-OLZOCXBDSA-N 0 0 320.483 3.756 50 0 DHAARN COc1cc(N[C@H](C)c2cnc(C)nc2C)c(OC)cc1Cl ZINC000097232363 563514523 /nfs/dbraw/zinc/51/45/23/563514523.db2.gz RFXAMJSYPCIGCD-SNVBAGLBSA-N 0 0 321.808 3.937 50 0 DHAARN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000000064027 563517543 /nfs/dbraw/zinc/51/75/43/563517543.db2.gz BXEQUIFBNCFLKF-NYYWCZLTSA-N 0 0 315.756 3.779 50 0 biogenic DHAARN O=C1O[C@@H](c2ccc(Br)cc2)O[C@@H]1c1ccccc1 ZINC000000064899 563517639 /nfs/dbraw/zinc/51/76/39/563517639.db2.gz HXUYARVRVOCELX-HIFRSBDPSA-N 0 0 319.154 3.762 50 0 DHAARN O=C(NCc1ccncc1)c1sc2ccccc2c1Cl ZINC000000064781 563517728 /nfs/dbraw/zinc/51/77/28/563517728.db2.gz RFGSQJVVSYMIBC-UHFFFAOYSA-N 0 0 302.786 3.880 50 0 DHAARN Cc1cccc(C)c1NC(=O)COc1nc(C)nc2ccccc21 ZINC000033287277 563518409 /nfs/dbraw/zinc/51/84/09/563518409.db2.gz CAMHCCXNMLLQAO-UHFFFAOYSA-N 0 0 321.380 3.573 50 0 DHAARN Cc1ccccc1CNC(=O)c1ccc(-c2cccnc2)cc1 ZINC000033282206 563518612 /nfs/dbraw/zinc/51/86/12/563518612.db2.gz KRFUPCJRBVIDRL-UHFFFAOYSA-N 0 0 302.377 3.987 50 0 DHAARN CCCc1cc(C(=O)N(C)[C@@H](C)c2nc(C)sc2C)no1 ZINC000082096156 563518620 /nfs/dbraw/zinc/51/86/20/563518620.db2.gz OOTQACNSKQNANU-VIFPVBQESA-N 0 0 307.419 3.534 50 0 DHAARN CC(C)CNC(=O)c1ccccc1NC(=O)/C=C\c1ccccc1 ZINC000033316394 563519976 /nfs/dbraw/zinc/51/99/76/563519976.db2.gz CIJLHOFDUJWJQG-SEYXRHQNSA-N 0 0 322.408 3.724 50 0 DHAARN O=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1F ZINC000085651278 563521194 /nfs/dbraw/zinc/52/11/94/563521194.db2.gz JJFXXHPHUHPGFX-UHFFFAOYSA-N 0 0 315.413 3.606 50 0 DHAARN O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccsc1 ZINC000585146691 563521292 /nfs/dbraw/zinc/52/12/92/563521292.db2.gz CTFMHSIHICJBTP-LBPRGKRZSA-N 0 0 303.408 3.965 50 0 DHAARN CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(F)c1 ZINC000023230044 563523161 /nfs/dbraw/zinc/52/31/61/563523161.db2.gz ZXCIMALNJVBEGN-KRWDZBQOSA-N 0 0 319.401 3.524 50 0 DHAARN Cc1cccc(NC(=O)c2noc3c2CSc2ccccc2-3)n1 ZINC000033331829 563523193 /nfs/dbraw/zinc/52/31/93/563523193.db2.gz XDSFZZKOKUDWPV-UHFFFAOYSA-N 0 0 323.377 3.903 50 0 DHAARN COC(=O)c1cccc(CSc2cnc3ccccc3n2)c1 ZINC000000074871 563523232 /nfs/dbraw/zinc/52/32/32/563523232.db2.gz AVAVCQXFKVTFIF-UHFFFAOYSA-N 0 0 310.378 3.709 50 0 DHAARN CCCOc1ccccc1N1C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000091270665 563525508 /nfs/dbraw/zinc/52/55/08/563525508.db2.gz PNRFQFFADCPFCL-GJZGRUSLSA-N 0 0 313.397 3.711 50 0 DHAARN Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl ZINC000095067918 563528242 /nfs/dbraw/zinc/52/82/42/563528242.db2.gz SGMCRWDLYYWRMC-UHFFFAOYSA-N 0 0 317.744 3.727 50 0 DHAARN Cc1cc(C)n2nc(SCc3ccccc3Cl)nc2n1 ZINC000000092824 563528463 /nfs/dbraw/zinc/52/84/63/563528463.db2.gz DHODCEFOLIKJDY-UHFFFAOYSA-N 0 0 304.806 3.687 50 0 DHAARN O=c1c2ccccc2ccn1Cc1cncn1C1CCCCC1 ZINC000095366942 563529757 /nfs/dbraw/zinc/52/97/57/563529757.db2.gz XFIGWUCWNCPAMN-UHFFFAOYSA-N 0 0 307.397 3.752 50 0 DHAARN c1cn(CC2CCC2)c([C@@H]2CCCN(Cc3cscn3)C2)n1 ZINC000095357167 563529773 /nfs/dbraw/zinc/52/97/73/563529773.db2.gz NIHOVAFASPBARA-OAHLLOKOSA-N 0 0 316.474 3.519 50 0 DHAARN Cc1cccc(CC[N@@H+]2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095380538 563530106 /nfs/dbraw/zinc/53/01/06/563530106.db2.gz QXRSWAGHUIAWSG-SFHVURJKSA-N 0 0 324.424 3.510 50 0 DHAARN Cc1nc(C(=O)NCCCSCc2ccccc2F)cs1 ZINC000096130358 563533277 /nfs/dbraw/zinc/53/32/77/563533277.db2.gz GNSMEDOIYAWMTK-UHFFFAOYSA-N 0 0 324.446 3.644 50 0 DHAARN CN(C)C(=O)c1ccccc1-c1ccccc1OC(F)(F)F ZINC000096132721 563533336 /nfs/dbraw/zinc/53/33/36/563533336.db2.gz BFDVVCQXOMXKGM-UHFFFAOYSA-N 0 0 309.287 3.954 50 0 DHAARN COc1nc2ccccc2cc1-c1ccc(C(N)=O)c(Cl)c1 ZINC000096132978 563533445 /nfs/dbraw/zinc/53/34/45/563533445.db2.gz AQPQXFTWBJGTOI-UHFFFAOYSA-N 0 0 312.756 3.663 50 0 DHAARN CC(=O)c1ccc(N2CCOCC2)c(-c2ccc(F)c(F)c2)c1 ZINC000096140689 563534021 /nfs/dbraw/zinc/53/40/21/563534021.db2.gz HJKURSYFPVCSAV-UHFFFAOYSA-N 0 0 317.335 3.671 50 0 DHAARN CC[C@@H]1C=CCN1C(=O)Nc1c(-c2ccccc2)c(C)nn1C ZINC000096139616 563534089 /nfs/dbraw/zinc/53/40/89/563534089.db2.gz IXEQXUBGKJINOU-OAHLLOKOSA-N 0 0 310.401 3.578 50 0 DHAARN CCCOc1ccccc1[C@H](C)NC(=O)c1csc(C)n1 ZINC000096141799 563534187 /nfs/dbraw/zinc/53/41/87/563534187.db2.gz QKZFQUYWUUPFQZ-NSHDSACASA-N 0 0 304.415 3.731 50 0 DHAARN CSc1nc2c(-c3ccccc3C)csc2c(=O)n1C ZINC000096511593 563537082 /nfs/dbraw/zinc/53/70/82/563537082.db2.gz UYFKYKKSAISRRU-UHFFFAOYSA-N 0 0 302.424 3.692 50 0 DHAARN O=C(c1ccc(-c2cccc3cnccc32)nc1)N1CCCC1 ZINC000097402504 563539197 /nfs/dbraw/zinc/53/91/97/563539197.db2.gz VMAXBEYYARNLEE-UHFFFAOYSA-N 0 0 303.365 3.533 50 0 DHAARN CCCC[C@H]1C=CCN1C(=O)Nc1ccc(OC)c(OC)c1 ZINC000097446942 563539288 /nfs/dbraw/zinc/53/92/88/563539288.db2.gz YZQQPPNDHDIBMZ-AWEZNQCLSA-N 0 0 304.390 3.666 50 0 DHAARN COc1ccc(CN(C)Cc2cc(C3CC3)on2)cc1Cl ZINC000097474889 563539401 /nfs/dbraw/zinc/53/94/01/563539401.db2.gz QGTOAKOPVJCEKU-UHFFFAOYSA-N 0 0 306.793 3.846 50 0 DHAARN CC(C)=CCC/C(C)=C/CNC(=O)c1ccc(CN(C)C)o1 ZINC000097413255 563539487 /nfs/dbraw/zinc/53/94/87/563539487.db2.gz CKTAXYYFMZFTCN-RVDMUPIBSA-N 0 0 304.434 3.764 50 0 DHAARN CCCCOc1ccc(C)cc1-c1ccc(C(=O)N(C)C)cn1 ZINC000097463596 563539687 /nfs/dbraw/zinc/53/96/87/563539687.db2.gz MMXSMJKBDIEXTG-UHFFFAOYSA-N 0 0 312.413 3.938 50 0 DHAARN O=C([C@H]1CCOC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000097528913 563540104 /nfs/dbraw/zinc/54/01/04/563540104.db2.gz LCARGQDSPCXPNC-HNNXBMFYSA-N 0 0 305.393 3.524 50 0 DHAARN C[C@H](NC(=O)CCc1nc2cc(F)ccc2[nH]1)C1=CCCCC1 ZINC000097532453 563540143 /nfs/dbraw/zinc/54/01/43/563540143.db2.gz ITAMOFLVDMLXSF-LBPRGKRZSA-N 0 0 315.392 3.640 50 0 DHAARN O=C(c1ccc([C@H]2CCCO2)s1)N1CCc2ccccc2C1 ZINC000097674071 563540866 /nfs/dbraw/zinc/54/08/66/563540866.db2.gz DMRREXWKXYLDRV-OAHLLOKOSA-N 0 0 313.422 3.798 50 0 DHAARN Cc1cc([C@H]2CCCCN2Cc2cc(C(C)(C)C)n[nH]2)no1 ZINC000097631930 563540951 /nfs/dbraw/zinc/54/09/51/563540951.db2.gz PBLYODMZUPVABM-OAHLLOKOSA-N 0 0 302.422 3.731 50 0 DHAARN COC(=O)c1ccc(-c2cc(Cl)cc(C(=O)OC)c2)cc1 ZINC000097757015 563542046 /nfs/dbraw/zinc/54/20/46/563542046.db2.gz BLSXRZZJHGNFGP-UHFFFAOYSA-N 0 0 304.729 3.580 50 0 DHAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cccc3nccnc31)C2 ZINC000097729502 563542078 /nfs/dbraw/zinc/54/20/78/563542078.db2.gz JZMJZUXLYBFPMZ-BFUOFWGJSA-N 0 0 309.413 3.671 50 0 DHAARN O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@@H]1c1ccccc1 ZINC000097785495 563542857 /nfs/dbraw/zinc/54/28/57/563542857.db2.gz DXYILINEKYVMAZ-LJQANCHMSA-N 0 0 323.440 3.585 50 0 DHAARN COCCn1c(C(=O)Nc2ccc(OC)cc2)cc2ccccc21 ZINC000072302632 563543150 /nfs/dbraw/zinc/54/31/50/563543150.db2.gz CKKMKPNKKIOXHF-UHFFFAOYSA-N 0 0 324.380 3.549 50 0 DHAARN CC(C)Oc1ccc([C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100621448 563552122 /nfs/dbraw/zinc/55/21/22/563552122.db2.gz JDBFRWBNRITDBA-KRWDZBQOSA-N 0 0 309.365 3.521 50 0 DHAARN CCc1ccc(C2=Nc3nnnn3[C@H](c3cccc(C)c3)C2)cc1 ZINC000101216971 563556864 /nfs/dbraw/zinc/55/68/64/563556864.db2.gz HITIHOOGUWFHEB-SFHVURJKSA-N 0 0 317.396 3.600 50 0 DHAARN CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)c2ccc(C)cc2)n1 ZINC000014092669 563559462 /nfs/dbraw/zinc/55/94/62/563559462.db2.gz UWUBSIUMQJGYOK-LBPRGKRZSA-N 0 0 316.426 3.807 50 0 DHAARN C[C@@H](C(=O)Nc1ccc(F)cc1)n1cc(-c2ccccc2)cn1 ZINC000257173706 563567565 /nfs/dbraw/zinc/56/75/65/563567565.db2.gz VHTIPHNOZGENHR-ZDUSSCGKSA-N 0 0 309.344 3.889 50 0 DHAARN Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)n2)cc1 ZINC000257173874 563567592 /nfs/dbraw/zinc/56/75/92/563567592.db2.gz ZSDLVIGBWPYXDJ-HUUCEWRRSA-N 0 0 324.424 3.615 50 0 DHAARN Cc1ccc(C)c(OCC(=O)Nc2nc3ccccc3s2)c1 ZINC000000120507 563571029 /nfs/dbraw/zinc/57/10/29/563571029.db2.gz BZCMUCXRVBKKLJ-UHFFFAOYSA-N 0 0 312.394 3.931 50 0 DHAARN COc1ccc(OCC(=O)Oc2ccc(Cl)cc2C)cc1 ZINC000000122552 563571636 /nfs/dbraw/zinc/57/16/36/563571636.db2.gz WMSPXLILGQIJRF-UHFFFAOYSA-N 0 0 306.745 3.641 50 0 DHAARN COC(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1C ZINC000000143930 563572660 /nfs/dbraw/zinc/57/26/60/563572660.db2.gz PGLNTPKFFKRXOV-UHFFFAOYSA-N 0 0 303.745 3.687 50 0 DHAARN COC(=O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000143932 563572664 /nfs/dbraw/zinc/57/26/64/563572664.db2.gz KGWVSBKDUIDNDQ-UHFFFAOYSA-N 0 0 323.270 3.744 50 0 DHAARN C[C@@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c23)C1 ZINC000000144662 563573260 /nfs/dbraw/zinc/57/32/60/563573260.db2.gz WODRSVDCJXWKFV-GFCCVEGCSA-N 0 0 310.422 3.631 50 0 DHAARN O=C1C(Cl)=C(Cl)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000145797 563573336 /nfs/dbraw/zinc/57/33/36/563573336.db2.gz CUWXJFCSNROABJ-UHFFFAOYSA-N 0 0 310.951 3.556 50 0 DHAARN COc1ccccc1/C=C/C1=N/C(=C\c2ccc(C)o2)C(=O)O1 ZINC000000177030 563575079 /nfs/dbraw/zinc/57/50/79/563575079.db2.gz MDOWUUQMRGGSOU-TYQAZIJWSA-N 0 0 309.321 3.606 50 0 DHAARN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccs1 ZINC000000178757 563575524 /nfs/dbraw/zinc/57/55/24/563575524.db2.gz GWROOHYHANHGSU-UHFFFAOYSA-N 0 0 319.386 3.582 50 0 DHAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H]1CCCO1 ZINC000011690428 563576655 /nfs/dbraw/zinc/57/66/55/563576655.db2.gz SQVDZPXIPIYQIP-CQSZACIVSA-N 0 0 319.788 3.817 50 0 DHAARN COc1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1OC ZINC000000194269 563576752 /nfs/dbraw/zinc/57/67/52/563576752.db2.gz PMQDHLNTYBYWLM-UHFFFAOYSA-N 0 0 317.728 3.526 50 0 DHAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000011690666 563577283 /nfs/dbraw/zinc/57/72/83/563577283.db2.gz MYMQPDDJKPBRDE-UHFFFAOYSA-N 0 0 303.745 3.754 50 0 DHAARN CCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1ccccc1 ZINC000000200804 563577483 /nfs/dbraw/zinc/57/74/83/563577483.db2.gz MLDGPBSUDILVNQ-HNNXBMFYSA-N 0 0 321.424 3.866 50 0 DHAARN O=C(Oc1ccc2oc(=O)sc2c1)c1ccccc1Cl ZINC000000205481 563577996 /nfs/dbraw/zinc/57/79/96/563577996.db2.gz MFZUYFHOIRNALW-UHFFFAOYSA-N 0 0 306.726 3.727 50 0 DHAARN CC(=O)N[C@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000000200842 563578162 /nfs/dbraw/zinc/57/81/62/563578162.db2.gz VFMYXCKYAQBRSN-OAHLLOKOSA-N 0 0 321.424 3.899 50 0 DHAARN Cc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000000210352 563578508 /nfs/dbraw/zinc/57/85/08/563578508.db2.gz FGNZDKOOBGRJBR-UHFFFAOYSA-N 0 0 314.816 3.611 50 0 DHAARN Cc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Nc2ncnn21 ZINC000000223002 563579164 /nfs/dbraw/zinc/57/91/64/563579164.db2.gz FAEPNAPTSCFVQQ-SJORKVTESA-N 0 0 308.360 3.872 50 0 DHAARN C[C@@H](Cc1ccsc1)NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000050156611 563579944 /nfs/dbraw/zinc/57/99/44/563579944.db2.gz WJNGWXBVJIEHIR-BBRMVZONSA-N 0 0 315.442 3.621 50 0 DHAARN S=C(NC1CCCCC1)N1CCCC[C@H]1c1cccnc1 ZINC000000240143 563580333 /nfs/dbraw/zinc/58/03/33/563580333.db2.gz PQQACCVEEUMVHN-INIZCTEOSA-N 0 0 303.475 3.816 50 0 biogenic DHAARN COc1cccc(NC(=O)CCCc2ccc(OC)c(C)c2)c1 ZINC000000237609 563580429 /nfs/dbraw/zinc/58/04/29/563580429.db2.gz QBNWUCVKEXTRMX-UHFFFAOYSA-N 0 0 313.397 3.974 50 0 DHAARN O[C@@H](COc1cccc2ccccc21)Cn1cnc2ccccc21 ZINC000000243044 563581250 /nfs/dbraw/zinc/58/12/50/563581250.db2.gz FWMVJSKYEPWDQG-MRXNPFEDSA-N 0 0 318.376 3.629 50 0 DHAARN Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000000257628 563582499 /nfs/dbraw/zinc/58/24/99/563582499.db2.gz SYTJPQAXEMKGMS-QGZVFWFLSA-N 0 0 314.385 3.801 50 0 DHAARN Cc1ncsc1CCOC(=O)C1C2CC3CC(C2)CC1C3 ZINC000000278004 563584864 /nfs/dbraw/zinc/58/48/64/563584864.db2.gz UHGHYNSIIDJUMF-UHFFFAOYSA-N 0 0 305.443 3.610 50 0 aggregator DHAARN O=C(C1CCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000000324702 563588782 /nfs/dbraw/zinc/58/87/82/563588782.db2.gz GUCADIRGPKVSKM-OAHLLOKOSA-N 0 0 311.385 3.590 50 0 DHAARN CC1=NN=C(c2ccccc2)[C@@H](c2c[nH]c3ccccc32)N1O ZINC000000340521 563589322 /nfs/dbraw/zinc/58/93/22/563589322.db2.gz QYOYACZSUPXYTA-GOSISDBHSA-N 0 0 304.353 3.737 50 0 DHAARN CCN1c2cccc3c2c(ccc3NC(=O)c2ccco2)C1=O ZINC000000358119 563590080 /nfs/dbraw/zinc/59/00/80/563590080.db2.gz AOUFEFCJYPZWQO-UHFFFAOYSA-N 0 0 306.321 3.665 50 0 DHAARN Cn1nccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000011695087 563590296 /nfs/dbraw/zinc/59/02/96/563590296.db2.gz MSYYZXDEESAHBQ-UHFFFAOYSA-N 0 0 324.365 3.542 50 0 DHAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000000367317 563590633 /nfs/dbraw/zinc/59/06/33/563590633.db2.gz TUUHQYVTEBZWRS-UHFFFAOYSA-N 0 0 311.385 3.709 50 0 DHAARN COC(=O)c1cc(C)sc1NC(=O)CSc1ccccc1 ZINC000000370787 563590756 /nfs/dbraw/zinc/59/07/56/563590756.db2.gz CEHIYTOTCWAHAU-UHFFFAOYSA-N 0 0 321.423 3.574 50 0 DHAARN C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033436742 563591910 /nfs/dbraw/zinc/59/19/10/563591910.db2.gz BKHOZTACONAJEC-WQTVUKCASA-N 0 0 323.392 3.566 50 0 DHAARN CCc1ccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)cc1 ZINC000005000608 563595499 /nfs/dbraw/zinc/59/54/99/563595499.db2.gz VNIUGZXHVRNGAL-UHFFFAOYSA-N 0 0 315.808 3.569 50 0 DHAARN Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1 ZINC000100633366 563597584 /nfs/dbraw/zinc/59/75/84/563597584.db2.gz KUEDPQPSINBLKI-UHFFFAOYSA-N 0 0 309.350 3.765 50 0 DHAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1C ZINC000011740447 563598833 /nfs/dbraw/zinc/59/88/33/563598833.db2.gz YPFFDAJVFZLIHP-UHFFFAOYSA-N 0 0 322.408 3.991 50 0 DHAARN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C)c1 ZINC000044253156 563598861 /nfs/dbraw/zinc/59/88/61/563598861.db2.gz OKQMOUHIXBMPNT-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN CCONC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000011739893 563598898 /nfs/dbraw/zinc/59/88/98/563598898.db2.gz GHMAXIGUAMLKLD-UHFFFAOYSA-N 0 0 310.328 3.722 50 0 DHAARN O=C(c1cncc(Br)c1)N1CCC[C@@H]1C1CCCC1 ZINC000044352655 563600146 /nfs/dbraw/zinc/60/01/46/563600146.db2.gz XJFNLLILPDJINK-CQSZACIVSA-N 0 0 323.234 3.639 50 0 DHAARN COc1cccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(C)cc2)c1 ZINC000248112804 563600403 /nfs/dbraw/zinc/60/04/03/563600403.db2.gz TVZOUAFEWGWMPV-RBUKOAKNSA-N 0 0 322.408 3.513 50 0 DHAARN CCn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000011889697 563600459 /nfs/dbraw/zinc/60/04/59/563600459.db2.gz LMBJNRQHVLIITJ-UHFFFAOYSA-N 0 0 323.849 3.904 50 0 DHAARN Cc1nccc(NC(=O)c2cnc3ccc(F)cc3c2)c1Cl ZINC000124708945 563600750 /nfs/dbraw/zinc/60/07/50/563600750.db2.gz PSXDKFJKPMYFRG-UHFFFAOYSA-N 0 0 315.735 3.983 50 0 DHAARN CCCCOc1ccc(-c2nonc2NC(=O)C(C)C)cc1 ZINC000011914174 563601698 /nfs/dbraw/zinc/60/16/98/563601698.db2.gz VDMNWOMHUJDNDZ-UHFFFAOYSA-N 0 0 303.362 3.510 50 0 DHAARN Cc1ccccc1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000011914586 563601723 /nfs/dbraw/zinc/60/17/23/563601723.db2.gz JZPSMIONBLNFLY-UHFFFAOYSA-N 0 0 301.396 3.827 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563860498 /nfs/dbraw/zinc/86/04/98/563860498.db2.gz JHLUXFPLQJTISC-SFHVURJKSA-N 0 0 301.386 3.657 50 0 DHAARN CCOc1ccc(NC(=O)N[C@@H](C)c2nccs2)cc1C ZINC000075133465 563860585 /nfs/dbraw/zinc/86/05/85/563860585.db2.gz LZDJJHFFJRLTFQ-NSHDSACASA-N 0 0 305.403 3.733 50 0 DHAARN Cc1cc2c(cc1-c1ccnc3ncnn31)NC(C)(C)C[C@H]2C ZINC000575473162 563861198 /nfs/dbraw/zinc/86/11/98/563861198.db2.gz KGOHOTXZQWBOEE-GFCCVEGCSA-N 0 0 307.401 3.797 50 0 DHAARN CC(C)(C)c1ccc(C(=O)NCc2cnn3ccccc23)cc1 ZINC000075162723 563861357 /nfs/dbraw/zinc/86/13/57/563861357.db2.gz YHLONWWPBWOGCI-UHFFFAOYSA-N 0 0 307.397 3.562 50 0 DHAARN Cc1cc(C)c2c(c1)C[C@]1(C)C=C(C)C=C(C)[C@H]1S2(=O)=O ZINC000075283059 563862856 /nfs/dbraw/zinc/86/28/56/563862856.db2.gz FQIXFDJXMNMOOR-MSOLQXFVSA-N 0 0 302.439 3.914 50 0 DHAARN O=C1c2ccccc2C(=O)N1c1ccc(-c2ccc(O)cc2)cc1 ZINC000075283759 563862915 /nfs/dbraw/zinc/86/29/15/563862915.db2.gz IUOKUUBCCZOORE-UHFFFAOYSA-N 0 0 315.328 3.860 50 0 DHAARN CS[C@@H](C)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000053406353 563863077 /nfs/dbraw/zinc/86/30/77/563863077.db2.gz IVJZZQKOMMJLKG-NSHDSACASA-N 0 0 318.417 3.674 50 0 DHAARN C[C@H]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@H](c2ccco2)C1 ZINC000075386846 563864894 /nfs/dbraw/zinc/86/48/94/563864894.db2.gz SAUUZCWZTHFDQB-GUYCJALGSA-N 0 0 323.396 3.698 50 0 DHAARN CC[C@]1(c2ccccc2)NC(=O)N(C/C=C/c2ccccc2)C1=O ZINC000008389593 563864895 /nfs/dbraw/zinc/86/48/95/563864895.db2.gz YBIRGOQZEKCSQD-RGFVMQALSA-N 0 0 320.392 3.557 50 0 DHAARN COc1cccc(SCc2csc(-c3cnn(C)c3)n2)c1 ZINC000053773760 563866168 /nfs/dbraw/zinc/86/61/68/563866168.db2.gz WBWWOCCDSAUSIP-UHFFFAOYSA-N 0 0 317.439 3.845 50 0 DHAARN CCOC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000035382903 563866686 /nfs/dbraw/zinc/86/66/86/563866686.db2.gz MKXADULNRHMGRQ-UHFFFAOYSA-N 0 0 320.801 3.822 50 0 DHAARN CCc1ccc(NC(=O)CN2c3ccccc3C(C)(C)C2=O)cc1 ZINC000035398822 563866786 /nfs/dbraw/zinc/86/67/86/563866786.db2.gz CJJBCWDTIHRBQU-UHFFFAOYSA-N 0 0 322.408 3.512 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)c1cccn1-c1cccnc1 ZINC000035396924 563866858 /nfs/dbraw/zinc/86/68/58/563866858.db2.gz ADBFZAQXLJAPPD-MRXNPFEDSA-N 0 0 319.408 3.623 50 0 DHAARN Cn1cnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21 ZINC000035453278 563867380 /nfs/dbraw/zinc/86/73/80/563867380.db2.gz NQSDNJPNJYFWOM-UHFFFAOYSA-N 0 0 310.744 3.944 50 0 DHAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccn1 ZINC000575619158 563867675 /nfs/dbraw/zinc/86/76/75/563867675.db2.gz IBSWXWPXAQYSOA-UHFFFAOYSA-N 0 0 318.380 3.534 50 0 DHAARN O=C(NCc1nccnc1-c1cccs1)Nc1cccs1 ZINC000575619222 563867885 /nfs/dbraw/zinc/86/78/85/563867885.db2.gz BBCYXIWYVRYIMW-UHFFFAOYSA-N 0 0 316.411 3.588 50 0 DHAARN O=C(NCc1cncc(C2CC2)c1)Nc1ccccc1Cl ZINC000575620087 563867896 /nfs/dbraw/zinc/86/78/96/563867896.db2.gz KEYXAOYIWXKSLC-UHFFFAOYSA-N 0 0 301.777 3.934 50 0 DHAARN Cc1cccc(CC(=O)N2CCC(Oc3ccsc3)CC2)c1 ZINC000575621085 563868341 /nfs/dbraw/zinc/86/83/41/563868341.db2.gz XNKMFXRDALDGNU-UHFFFAOYSA-N 0 0 315.438 3.669 50 0 DHAARN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2cccnc2)[nH]n1 ZINC000075441593 563871484 /nfs/dbraw/zinc/87/14/84/563871484.db2.gz FAEXULPXPUTNCZ-UHFFFAOYSA-N 0 0 316.723 3.517 50 0 DHAARN CC1=C(C(=O)Nc2cc(C)ccc2C)C2(CCCCC2)OC1=O ZINC000006772357 563871998 /nfs/dbraw/zinc/87/19/98/563871998.db2.gz HPJQAOYWQLGODC-UHFFFAOYSA-N 0 0 313.397 3.818 50 0 DHAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)NC(C)C ZINC000035510282 563872002 /nfs/dbraw/zinc/87/20/02/563872002.db2.gz GUGNVNCXPRBUOF-UHFFFAOYSA-N 0 0 323.190 3.551 50 0 DHAARN CCc1noc2ncnc(Nc3ccc(OC)c(Cl)c3)c12 ZINC000035528801 563872158 /nfs/dbraw/zinc/87/21/58/563872158.db2.gz BMOWFQRXWKRNTF-UHFFFAOYSA-N 0 0 304.737 3.586 50 0 DHAARN COC[C@H](C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000032901792 563873310 /nfs/dbraw/zinc/87/33/10/563873310.db2.gz WDMIHTDHNVXKSH-OANVXVOSSA-N 0 0 319.401 3.719 50 0 DHAARN Cc1ccsc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000012984644 563873341 /nfs/dbraw/zinc/87/33/41/563873341.db2.gz DGJBQUUVQSFUQT-AWEZNQCLSA-N 0 0 318.442 3.607 50 0 DHAARN Cc1cc(C)n(-c2cccc(NC(=O)/C=C/c3ccco3)c2)n1 ZINC000032915505 563873528 /nfs/dbraw/zinc/87/35/28/563873528.db2.gz XVVJILNGXUUKJP-CMDGGOBGSA-N 0 0 307.353 3.734 50 0 DHAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2)c1 ZINC000012997420 563873875 /nfs/dbraw/zinc/87/38/75/563873875.db2.gz TUSGDCLWRDETRB-UHFFFAOYSA-N 0 0 324.409 3.555 50 0 DHAARN C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000013000373 563875049 /nfs/dbraw/zinc/87/50/49/563875049.db2.gz MXMMRKMCTBFSOK-LBPRGKRZSA-N 0 0 309.818 3.521 50 0 DHAARN O=C(NC1CCCCCC1)c1ccc(Br)s1 ZINC000013001403 563875117 /nfs/dbraw/zinc/87/51/17/563875117.db2.gz IXLAJPPZQAXAPI-UHFFFAOYSA-N 0 0 302.237 3.963 50 0 DHAARN CCOc1cc2c(cc1NC(=O)c1ccoc1C)O[C@H](C)C2 ZINC000013006488 563875672 /nfs/dbraw/zinc/87/56/72/563875672.db2.gz CLOFQTBHPSWWEI-SNVBAGLBSA-N 0 0 301.342 3.562 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1F ZINC000013012414 563876114 /nfs/dbraw/zinc/87/61/14/563876114.db2.gz WUBVSWBABMXKLA-SNVBAGLBSA-N 0 0 309.287 3.818 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCc2ccc3[nH]cnc3c2)cc1 ZINC000075478913 563876198 /nfs/dbraw/zinc/87/61/98/563876198.db2.gz JTKUELASNCEFDA-CQSZACIVSA-N 0 0 307.397 3.681 50 0 DHAARN O=C(CCCc1nc2ccccc2s1)NCc1cccs1 ZINC000013013281 563876595 /nfs/dbraw/zinc/87/65/95/563876595.db2.gz ORHAKJNSBCYHJY-UHFFFAOYSA-N 0 0 316.451 3.997 50 0 DHAARN Cc1ccc(/C=C/CC(=O)N2CCc3ccc(O)cc3C2)cc1 ZINC000225486238 563876604 /nfs/dbraw/zinc/87/66/04/563876604.db2.gz NAYLGGLRWAVSNP-NSCUHMNNSA-N 0 0 307.393 3.689 50 0 DHAARN Cc1ccc(C)n1CCC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 ZINC000253623921 563877142 /nfs/dbraw/zinc/87/71/42/563877142.db2.gz SZIHNZYOJINYKI-UHFFFAOYSA-N 0 0 323.396 3.696 50 0 DHAARN CCCCn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001784977 563878814 /nfs/dbraw/zinc/87/88/14/563878814.db2.gz VROKGDVKCHRYIT-LLVKDONJSA-N 0 0 319.474 3.804 50 0 DHAARN C[C@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2C[C@H]1C ZINC000239367303 563879914 /nfs/dbraw/zinc/87/99/14/563879914.db2.gz AIBCUUJDBNJJKX-HZPDHXFCSA-N 0 0 308.425 3.657 50 0 DHAARN O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cc(Cl)ccc1F ZINC000239415366 563880179 /nfs/dbraw/zinc/88/01/79/563880179.db2.gz UFXUJLFVHSBNKX-OLZOCXBDSA-N 0 0 324.827 3.930 50 0 DHAARN CCOCc1ccc(NC(=O)Nc2cccnc2Cl)cc1 ZINC000075545840 563881409 /nfs/dbraw/zinc/88/14/09/563881409.db2.gz YCRKLTFZTRHOGZ-UHFFFAOYSA-N 0 0 305.765 3.916 50 0 DHAARN O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246362102 563882951 /nfs/dbraw/zinc/88/29/51/563882951.db2.gz HEQYNDNBQKLIHL-ZSHCYNCHSA-N 0 0 312.438 3.515 50 0 DHAARN CCc1ccc(CNc2cccc(Cn3nc(C)nc3C)c2)o1 ZINC000089286786 563883209 /nfs/dbraw/zinc/88/32/09/563883209.db2.gz RRLZSSRBMBYITR-UHFFFAOYSA-N 0 0 310.401 3.711 50 0 DHAARN CC(C)c1cnc(CN2CCC[C@@H]2c2noc(C(C)C)n2)o1 ZINC000075611480 563884799 /nfs/dbraw/zinc/88/47/99/563884799.db2.gz NQFYVZMLTMTHOI-GFCCVEGCSA-N 0 0 304.394 3.642 50 0 DHAARN CCN(C)c1ccccc1NC(=O)Nc1ccccc1COC ZINC000075611683 563885125 /nfs/dbraw/zinc/88/51/25/563885125.db2.gz HKANXJYBJQGEFO-UHFFFAOYSA-N 0 0 313.401 3.933 50 0 DHAARN O=C(c1ccc(F)c(F)c1F)N(c1ccccc1)[C@H]1CCOC1 ZINC000192082291 563885611 /nfs/dbraw/zinc/88/56/11/563885611.db2.gz MUHIYKMBKRLDKR-LBPRGKRZSA-N 0 0 321.298 3.540 50 0 DHAARN Cc1cc2nnc(SCCOC(C)C)n2c2ccccc12 ZINC000001924335 563886178 /nfs/dbraw/zinc/88/61/78/563886178.db2.gz CKTLOVFANCHQAQ-UHFFFAOYSA-N 0 0 301.415 3.708 50 0 DHAARN Cc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 ZINC000000287767 563886557 /nfs/dbraw/zinc/88/65/57/563886557.db2.gz HJQUDPMFUIOPQC-UHFFFAOYSA-N 0 0 312.296 3.502 50 0 biogenic DHAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000001993667 563886653 /nfs/dbraw/zinc/88/66/53/563886653.db2.gz ILYAQKWKNSPRSS-UHFFFAOYSA-N 0 0 324.163 3.789 50 0 DHAARN CC[C@H](NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000013330161 563909622 /nfs/dbraw/zinc/90/96/22/563909622.db2.gz QSNMVLPQWUMDCM-LBPRGKRZSA-N 0 0 315.847 3.831 50 0 DHAARN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1nnc3ccccn31)CCCO2 ZINC000089511345 563889109 /nfs/dbraw/zinc/88/91/09/563889109.db2.gz XCECHDUKHFCYOY-HOCLYGCPSA-N 0 0 322.412 3.602 50 0 DHAARN CCO[C@@H](C)c1nccn1Cc1nc(-c2ccccc2)oc1C ZINC000089521739 563889264 /nfs/dbraw/zinc/88/92/64/563889264.db2.gz ATZNEGOGKDWYKK-AWEZNQCLSA-N 0 0 311.385 3.992 50 0 DHAARN COC[C@@H](NC(=O)Nc1ncccc1C)c1ccc(Cl)cc1 ZINC000192571230 563889295 /nfs/dbraw/zinc/88/92/95/563889295.db2.gz PFQJMYPWCMTGJR-CQSZACIVSA-N 0 0 319.792 3.553 50 0 DHAARN Cc1ccc(CN2CCN(C(=O)C3CCC3)c3cccnc32)cc1 ZINC000064663150 563892386 /nfs/dbraw/zinc/89/23/86/563892386.db2.gz CDTOXDGJVGILAQ-UHFFFAOYSA-N 0 0 321.424 3.543 50 0 DHAARN CN(C)[C@H](CNC(=O)NC1CCCCC1)c1ccccc1Cl ZINC000036090873 563892870 /nfs/dbraw/zinc/89/28/70/563892870.db2.gz WLJAKNKPDYRDAL-MRXNPFEDSA-N 0 0 323.868 3.575 50 0 DHAARN Cc1cc(OCc2nc(C(=O)NC(C)C)cs2)ccc1Cl ZINC000036084324 563892915 /nfs/dbraw/zinc/89/29/15/563892915.db2.gz SNSCGUJEYRFRPE-UHFFFAOYSA-N 0 0 324.833 3.822 50 0 DHAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)nnn3C(C)C)c1 ZINC000064818474 563894473 /nfs/dbraw/zinc/89/44/73/563894473.db2.gz HANKJRGOHJBQFN-UHFFFAOYSA-N 0 0 308.385 3.881 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(Cl)c1 ZINC000037978847 563895217 /nfs/dbraw/zinc/89/52/17/563895217.db2.gz PDANDQUIVMIMEP-GFCCVEGCSA-N 0 0 306.818 3.946 50 0 DHAARN COCc1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000037991815 563895773 /nfs/dbraw/zinc/89/57/73/563895773.db2.gz HBVRWAWYBQNXQK-UHFFFAOYSA-N 0 0 311.168 3.787 50 0 DHAARN COc1cccc(NC(=O)c2cccc3c2SCCC3=O)c1 ZINC000006841447 563896246 /nfs/dbraw/zinc/89/62/46/563896246.db2.gz LUJCGZGULNIJEB-UHFFFAOYSA-N 0 0 313.378 3.626 50 0 DHAARN CC1(C)C[C@@H](c2nn3c(nnc3-c3cccs3)s2)CCO1 ZINC000036357756 563896283 /nfs/dbraw/zinc/89/62/83/563896283.db2.gz KDJVQOKMZSMUAD-VIFPVBQESA-N 0 0 320.443 3.587 50 0 DHAARN COc1ccc(NC(=O)N2C[C@H](C)Oc3ccc(C)cc32)cc1 ZINC000006842750 563896715 /nfs/dbraw/zinc/89/67/15/563896715.db2.gz AKFNNLVIHOTQAO-ZDUSSCGKSA-N 0 0 312.369 3.823 50 0 DHAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccc(OC)c2)no1 ZINC000006872301 563897572 /nfs/dbraw/zinc/89/75/72/563897572.db2.gz CBFFWQXYOTWETA-CQSZACIVSA-N 0 0 314.385 3.755 50 0 DHAARN O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccsc1 ZINC000169755471 563897602 /nfs/dbraw/zinc/89/76/02/563897602.db2.gz QYUWTSRGCVYOAL-UHFFFAOYSA-N 0 0 324.409 3.595 50 0 DHAARN O=C(CSc1ccc(O)cc1)N1CCSc2ccccc21 ZINC000037995730 563897975 /nfs/dbraw/zinc/89/79/75/563897975.db2.gz HJAQYSWRTPLLCS-UHFFFAOYSA-N 0 0 317.435 3.623 50 0 DHAARN CN(C(=O)NC1CCCC1)[C@@H](c1ccccc1)c1ccccn1 ZINC000036397083 563898726 /nfs/dbraw/zinc/89/87/26/563898726.db2.gz JRNWEDSFKIQQSC-SFHVURJKSA-N 0 0 309.413 3.755 50 0 DHAARN CCc1ccccc1NC(=O)C1=C(C)C(=O)OC12CCCCC2 ZINC000006932950 563899591 /nfs/dbraw/zinc/89/95/91/563899591.db2.gz UYEPFUXEWOCAPU-UHFFFAOYSA-N 0 0 313.397 3.764 50 0 biogenic DHAARN Fc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1 ZINC000065137126 563899692 /nfs/dbraw/zinc/89/96/92/563899692.db2.gz CRXXLCXRLOFKDY-UHFFFAOYSA-N 0 0 306.300 3.933 50 0 DHAARN Cc1ccccc1OCC(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153310 563900315 /nfs/dbraw/zinc/90/03/15/563900315.db2.gz WYRMCTPRBMPKPT-UHFFFAOYSA-N 0 0 314.366 3.729 50 0 DHAARN CC(=O)Nc1ccc(SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000007028476 563901131 /nfs/dbraw/zinc/90/11/31/563901131.db2.gz LCXNGBIYIWJTPI-CHWSQXEVSA-N 0 0 320.458 3.527 50 0 DHAARN Cc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000007071427 563902392 /nfs/dbraw/zinc/90/23/92/563902392.db2.gz SQKAMTRFQQXAOE-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN O=C1c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1C1CC1 ZINC000007088342 563902725 /nfs/dbraw/zinc/90/27/25/563902725.db2.gz LYHCGKSPAPWZHS-INIZCTEOSA-N 0 0 300.308 3.694 50 0 DHAARN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000170090717 563903692 /nfs/dbraw/zinc/90/36/92/563903692.db2.gz KCCFCFYPUMXURW-OAHLLOKOSA-N 0 0 324.207 3.779 50 0 DHAARN COc1ccc(OC)c(CSc2ncnc3ccccc32)c1 ZINC000007151912 563903982 /nfs/dbraw/zinc/90/39/82/563903982.db2.gz UATBZNYYGNVOAM-UHFFFAOYSA-N 0 0 312.394 3.939 50 0 DHAARN Cc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 ZINC000007141423 563904044 /nfs/dbraw/zinc/90/40/44/563904044.db2.gz 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CCCCCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1 ZINC000002319008 563925914 /nfs/dbraw/zinc/92/59/14/563925914.db2.gz NFJLOXRTJOVYFA-UHFFFAOYSA-N 0 0 308.381 3.824 50 0 DHAARN C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc(C)cc2)C1 ZINC000013133417 563927394 /nfs/dbraw/zinc/92/73/94/563927394.db2.gz VEDADSDCXQAJLF-INIZCTEOSA-N 0 0 312.413 3.778 50 0 DHAARN Cc1[nH]c2ccccc2c1CN=Nc1nncc2ccccc21 ZINC000254339391 563927493 /nfs/dbraw/zinc/92/74/93/563927493.db2.gz AONUDNVARAPMBH-UHFFFAOYSA-N 0 0 301.353 3.866 50 0 DHAARN CS(=O)(=O)c1cccc(-c2csc(-c3ccsc3)n2)c1 ZINC000225455210 563928102 /nfs/dbraw/zinc/92/81/02/563928102.db2.gz IENYPPDYJZLUPZ-UHFFFAOYSA-N 0 0 321.448 3.942 50 0 DHAARN CCn1c(CSc2nnc(C)s2)nc2cc(F)ccc21 ZINC000066256289 563928850 /nfs/dbraw/zinc/92/88/50/563928850.db2.gz KOPQUSKYKDHBIX-UHFFFAOYSA-N 0 0 308.407 3.648 50 0 DHAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(F)c(F)c1 ZINC000013013006 563929044 /nfs/dbraw/zinc/92/90/44/563929044.db2.gz AZFVLESGNJXNTD-UHFFFAOYSA-N 0 0 313.206 3.539 50 0 DHAARN CCc1cc(-c2n[nH]cc2-c2ccc(OC)cc2)c(O)cc1O ZINC000013126326 563929368 /nfs/dbraw/zinc/92/93/68/563929368.db2.gz FZEBHPGETBDBRI-UHFFFAOYSA-N 0 0 310.353 3.726 50 0 biogenic DHAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2cccc(O)c2n1 ZINC000013367286 563929509 /nfs/dbraw/zinc/92/95/09/563929509.db2.gz ZSOMEZGQPRCTLD-UHFFFAOYSA-N 0 0 316.719 3.985 50 0 DHAARN C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)c1ccccn1 ZINC000078663381 563929637 /nfs/dbraw/zinc/92/96/37/563929637.db2.gz OLGMZCHMTRJHQP-CQSZACIVSA-N 0 0 322.412 3.556 50 0 DHAARN Cn1ccc2ccc(NC(=O)CCC(=O)c3cccs3)cc21 ZINC000078806884 563929970 /nfs/dbraw/zinc/92/99/70/563929970.db2.gz FIYHIXOTMAHKNU-UHFFFAOYSA-N 0 0 312.394 3.841 50 0 DHAARN C[S@@](=O)C[C@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000154696601 563930074 /nfs/dbraw/zinc/93/00/74/563930074.db2.gz LNNMUBGYCFMQJT-JTSKRJEESA-N 0 0 313.422 3.642 50 0 DHAARN C[S@@](=O)C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000154696837 563930096 /nfs/dbraw/zinc/93/00/96/563930096.db2.gz LNNMUBGYCFMQJT-VGSWGCGISA-N 0 0 313.422 3.642 50 0 DHAARN FC(F)Cn1ccc(NCc2cc(Br)cs2)n1 ZINC000079108784 563930282 /nfs/dbraw/zinc/93/02/82/563930282.db2.gz NMCOLFTXULLESQ-UHFFFAOYSA-N 0 0 322.178 3.584 50 0 DHAARN COC(=O)[C@@H](C)CN(Cc1ccccc1)c1nc2ccccc2o1 ZINC000079109125 563930329 /nfs/dbraw/zinc/93/03/29/563930329.db2.gz SOSMRSVIDWMNHR-AWEZNQCLSA-N 0 0 324.380 3.644 50 0 DHAARN COc1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1 ZINC000390831402 563930693 /nfs/dbraw/zinc/93/06/93/563930693.db2.gz RPNLZUBCQAXKJS-UHFFFAOYSA-N 0 0 307.349 3.885 50 0 DHAARN O=C(NCCCCCc1nc2ccccc2[nH]1)c1cccs1 ZINC000095377643 563931064 /nfs/dbraw/zinc/93/10/64/563931064.db2.gz VFMCUBDULFBFJU-UHFFFAOYSA-N 0 0 313.426 3.767 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000095377407 563931119 /nfs/dbraw/zinc/93/11/19/563931119.db2.gz OCCJWPXQRZAEBU-NWDGAFQWSA-N 0 0 323.318 3.788 50 0 DHAARN CC[C@@H](c1ccc(F)cc1F)[S@@](=O)CC1CCOCC1 ZINC000095439189 563931541 /nfs/dbraw/zinc/93/15/41/563931541.db2.gz SYKZMCYVMUYRRV-MGPUTAFESA-N 0 0 302.386 3.591 50 0 DHAARN COCCC1(CNC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000095427191 563931559 /nfs/dbraw/zinc/93/15/59/563931559.db2.gz VDOHVWUNSWHPGO-OAHLLOKOSA-N 0 0 320.433 3.723 50 0 DHAARN CSc1cccc(NC(=O)N2CCn3cccc3[C@H]2C)c1 ZINC000021051083 563931981 /nfs/dbraw/zinc/93/19/81/563931981.db2.gz DNHSOCVAHROIJM-GFCCVEGCSA-N 0 0 301.415 3.819 50 0 DHAARN NC(=S)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000095929424 563931988 /nfs/dbraw/zinc/93/19/88/563931988.db2.gz FCVUIAOJAFFBAA-UHFFFAOYSA-N 0 0 313.304 3.548 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@@H]1C ZINC000021050858 563932003 /nfs/dbraw/zinc/93/20/03/563932003.db2.gz DKZHLSNXCGTNFV-NSHDSACASA-N 0 0 319.792 3.759 50 0 DHAARN CC[C@H](C)Oc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1 ZINC000095958949 563932305 /nfs/dbraw/zinc/93/23/05/563932305.db2.gz YOZRXTMKUHFLOS-ZDUSSCGKSA-N 0 0 301.390 3.894 50 0 DHAARN COc1ccccc1[S@@](=O)Cc1coc(-c2ccccc2)n1 ZINC000095953342 563932370 /nfs/dbraw/zinc/93/23/70/563932370.db2.gz JIBWFJORYZRTLR-JOCHJYFZSA-N 0 0 313.378 3.658 50 0 DHAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1n[nH]c2c1CCCC2 ZINC000095957414 563932415 /nfs/dbraw/zinc/93/24/15/563932415.db2.gz DPXAWIWJMTUELF-CQSZACIVSA-N 0 0 323.440 3.729 50 0 DHAARN CC[C@@H](Nc1nc(C(F)F)nc2ccccc21)c1nnc(C)[nH]1 ZINC000095963263 563932719 /nfs/dbraw/zinc/93/27/19/563932719.db2.gz WYDDSFDCUORFOT-SNVBAGLBSA-N 0 0 318.331 3.557 50 0 DHAARN C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)c1cccnc1 ZINC000095964255 563932770 /nfs/dbraw/zinc/93/27/70/563932770.db2.gz BSQPFXHSDRRREJ-CQSZACIVSA-N 0 0 319.474 3.604 50 0 DHAARN CC(C)C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccccn1 ZINC000095967385 563932949 /nfs/dbraw/zinc/93/29/49/563932949.db2.gz POFNULPCOJSEBD-MSOLQXFVSA-N 0 0 302.393 3.631 50 0 DHAARN CC(C)n1ncc(C(=O)N[C@@H](C)C(C)(C)C)c1C(F)(F)F ZINC000095978691 563933611 /nfs/dbraw/zinc/93/36/11/563933611.db2.gz VKNMLODYCUZWTN-VIFPVBQESA-N 0 0 305.344 3.647 50 0 DHAARN O=C(CCCc1ccccn1)O[C@@H]1CCCOc2ccccc21 ZINC000095973449 563933692 /nfs/dbraw/zinc/93/36/92/563933692.db2.gz KRRJLFWASGHZPP-GOSISDBHSA-N 0 0 311.381 3.861 50 0 DHAARN CN(CC1CCOCC1)C(=O)N[C@H]1CCCCc2ccccc21 ZINC000095981530 563933970 /nfs/dbraw/zinc/93/39/70/563933970.db2.gz FPKNYTHQJBRREI-SFHVURJKSA-N 0 0 316.445 3.522 50 0 DHAARN Cc1nccn1Cc1ccc(Br)c2cccnc12 ZINC000096009512 563934810 /nfs/dbraw/zinc/93/48/10/563934810.db2.gz YBMFVXICAKWHSZ-UHFFFAOYSA-N 0 0 302.175 3.551 50 0 DHAARN COc1ccc(OCCSCCCc2ccncc2)cc1 ZINC000096010414 563934893 /nfs/dbraw/zinc/93/48/93/563934893.db2.gz UHXPJKBUJAZTFB-UHFFFAOYSA-N 0 0 303.427 3.835 50 0 DHAARN Cc1ccc(C)c(NC(=O)CCc2ccnc(N3CCCC3)c2)c1 ZINC000096102068 563935219 /nfs/dbraw/zinc/93/52/19/563935219.db2.gz JYJRNQOOOPPMDP-UHFFFAOYSA-N 0 0 323.440 3.870 50 0 DHAARN Cc1ccccc1NC(=O)NCC[C@@H](O)c1cc2ccccc2o1 ZINC000096097310 563935316 /nfs/dbraw/zinc/93/53/16/563935316.db2.gz HJBILUBRTVUDIK-MRXNPFEDSA-N 0 0 324.380 3.986 50 0 DHAARN Cc1nc(-c2cccc(NC(=O)N3CCc4ccccc43)c2)no1 ZINC000021353942 563935344 /nfs/dbraw/zinc/93/53/44/563935344.db2.gz UXRNBBUITQTWBL-UHFFFAOYSA-N 0 0 320.352 3.640 50 0 DHAARN CCC1CCC2(CC1)NC(=O)N(C/C=C\c1ccccc1)C2=O ZINC000096113488 563935483 /nfs/dbraw/zinc/93/54/83/563935483.db2.gz KFAYUIBFGVLKRU-TWGQIWQCSA-N 0 0 312.413 3.591 50 0 DHAARN CO[C@H](CNC(=O)c1ccc(Cl)s1)c1ccccc1C ZINC000096104950 563935502 /nfs/dbraw/zinc/93/55/02/563935502.db2.gz HGHORKLUAMHEHC-GFCCVEGCSA-N 0 0 309.818 3.827 50 0 DHAARN CC[C@@](CNC(=O)c1cccc(F)c1)(OC)c1ccccc1 ZINC000096123688 563935662 /nfs/dbraw/zinc/93/56/62/563935662.db2.gz OQLDWFMPDHQCKL-SFHVURJKSA-N 0 0 301.361 3.507 50 0 DHAARN CCc1ccc(Nc2cc(C(=O)N3CCCCC3)nc(C)n2)cc1 ZINC000096182833 563935800 /nfs/dbraw/zinc/93/58/00/563935800.db2.gz JHSDDBMEDJNYHC-UHFFFAOYSA-N 0 0 324.428 3.717 50 0 DHAARN CC1(C)CC(=O)Nc2ccc(NC(=O)c3ccccc3F)cc21 ZINC000096182967 563935841 /nfs/dbraw/zinc/93/58/41/563935841.db2.gz DDZJVMFMSCIYRQ-UHFFFAOYSA-N 0 0 312.344 3.698 50 0 DHAARN O=C(CCn1ncc2ccc(Cl)cc21)Nc1cccc(F)c1 ZINC000096182384 563935860 /nfs/dbraw/zinc/93/58/60/563935860.db2.gz MKXOJJXPMMMKOL-UHFFFAOYSA-N 0 0 317.751 3.858 50 0 DHAARN C/C=C/C=C\C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000096256159 563936023 /nfs/dbraw/zinc/93/60/23/563936023.db2.gz JPUGJGISKIJNLF-IAROGAJJSA-N 0 0 303.412 3.760 50 0 DHAARN O=C1C[C@@H](c2ccc(Cl)cc2)c2c3nsnc3ccc2O1 ZINC000096231117 563936048 /nfs/dbraw/zinc/93/60/48/563936048.db2.gz BJFKXQPKYVXCRO-JTQLQIEISA-N 0 0 316.769 3.786 50 0 DHAARN O=C(COc1ccccc1)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000096232536 563936053 /nfs/dbraw/zinc/93/60/53/563936053.db2.gz MSBUEUJYWGCJMK-SFHVURJKSA-N 0 0 320.392 3.741 50 0 DHAARN Cc1cccc(-c2noc([C@@H](NC(=O)CC(C)C)C(C)C)n2)c1 ZINC000096292867 563936142 /nfs/dbraw/zinc/93/61/42/563936142.db2.gz VPZYYOQJABBXGL-INIZCTEOSA-N 0 0 315.417 3.904 50 0 DHAARN Cc1nc(-c2cccc(C(F)(F)F)c2)c(N)c(N2CCCC2)n1 ZINC000096282053 563936177 /nfs/dbraw/zinc/93/61/77/563936177.db2.gz VTUBGTWTHAJQDZ-UHFFFAOYSA-N 0 0 322.334 3.653 50 0 DHAARN O=C1Oc2ccccc2/C1=C\c1cc2c(c(Cl)c1)OCO2 ZINC000096297713 563936234 /nfs/dbraw/zinc/93/62/34/563936234.db2.gz MHYQIJUWRUKQMJ-VZUCSPMQSA-N 0 0 300.697 3.528 50 0 DHAARN O=C(/C=C\c1nc2ccccc2o1)N1CCC(n2cccc2)CC1 ZINC000096400942 563936447 /nfs/dbraw/zinc/93/64/47/563936447.db2.gz SIKTWRCJSKISJT-FPLPWBNLSA-N 0 0 321.380 3.506 50 0 DHAARN O=C(Nc1ccc(CCO)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000096403190 563936639 /nfs/dbraw/zinc/93/66/39/563936639.db2.gz RCYZBRQNLWOWSR-CHWSQXEVSA-N 0 0 315.335 3.529 50 0 DHAARN CCc1nc(C[S@@](=O)Cc2ccccc2OC(C)C)cs1 ZINC000096404328 563936646 /nfs/dbraw/zinc/93/66/46/563936646.db2.gz AMZXCCODBDKLLQ-OAQYLSRUSA-N 0 0 323.483 3.942 50 0 DHAARN O=C(c1cccc2ccccc21)N1CCCC[C@H]1c1ncc[nH]1 ZINC000096403400 563936673 /nfs/dbraw/zinc/93/66/73/563936673.db2.gz NAIHXSLOAOWEER-KRWDZBQOSA-N 0 0 305.381 3.930 50 0 DHAARN O=C(/C=C/c1ccc2c(c1)OCCO2)OC/C=C\c1ccccc1 ZINC000096401095 563936687 /nfs/dbraw/zinc/93/66/87/563936687.db2.gz NVZWZFDDVRYFSC-RGSRAZRCSA-N 0 0 322.360 3.728 50 0 DHAARN CCc1nc(C[S@](=O)Cc2ccccc2OC(C)C)cs1 ZINC000096404329 563936689 /nfs/dbraw/zinc/93/66/89/563936689.db2.gz AMZXCCODBDKLLQ-NRFANRHFSA-N 0 0 323.483 3.942 50 0 DHAARN CNC(=O)Cc1nc(CS[C@H](C)c2ccccc2F)cs1 ZINC000096444648 563936990 /nfs/dbraw/zinc/93/69/90/563936990.db2.gz RYILDSFOIZPILE-SNVBAGLBSA-N 0 0 324.446 3.565 50 0 DHAARN C[C@H](CNC(=O)N[C@H](C)c1ccccn1)Sc1ccccc1 ZINC000096437628 563937010 /nfs/dbraw/zinc/93/70/10/563937010.db2.gz CDPSDRUVUNYBNR-ZIAGYGMSSA-N 0 0 315.442 3.623 50 0 DHAARN COC[C@H](NC(=O)Nc1ccc(SC)c(F)c1)c1ccco1 ZINC000096446015 563937258 /nfs/dbraw/zinc/93/72/58/563937258.db2.gz YEILKDRGBAPMPL-LBPRGKRZSA-N 0 0 324.377 3.650 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC1CC(c2ccccc2)C1 ZINC000096486655 563937355 /nfs/dbraw/zinc/93/73/55/563937355.db2.gz ABBOBQYZOXGYQV-AXOLYNHLSA-N 0 0 311.429 3.583 50 0 DHAARN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1C[C@H](C)c2ccccc21 ZINC000096486613 563937463 /nfs/dbraw/zinc/93/74/63/563937463.db2.gz PPPXBDDUIYXYMO-XWCIJXRUSA-N 0 0 311.429 3.885 50 0 DHAARN COC[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccco1 ZINC000096478949 563937486 /nfs/dbraw/zinc/93/74/86/563937486.db2.gz QZIKCHLVTQDXGC-SMDDNHRTSA-N 0 0 302.399 3.928 50 0 DHAARN C[C@H](NCc1nccn1CCc1ccccc1)c1ccccc1 ZINC000096479143 563937516 /nfs/dbraw/zinc/93/75/16/563937516.db2.gz YFYJNCWDOXHAJU-KRWDZBQOSA-N 0 0 305.425 3.977 50 0 DHAARN Cc1ccc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cn1 ZINC000097038100 563937597 /nfs/dbraw/zinc/93/75/97/563937597.db2.gz MCOFXFMVLRHBEU-CYBMUJFWSA-N 0 0 310.401 3.847 50 0 DHAARN CC(C)N1Cc2cccc(NC(=O)c3ccncc3Cl)c2C1 ZINC000096502606 563937623 /nfs/dbraw/zinc/93/76/23/563937623.db2.gz KDPMAYOUOLPUHQ-UHFFFAOYSA-N 0 0 315.804 3.711 50 0 DHAARN CC(C)n1cc([C@H](C)Nc2cccc(Cn3cccn3)c2)cn1 ZINC000097037357 563937640 /nfs/dbraw/zinc/93/76/40/563937640.db2.gz CNOQNUKBZKENLR-HNNXBMFYSA-N 0 0 309.417 3.882 50 0 DHAARN CC(=O)N[C@H]1CC(C)(C)CC2=C1[C@@]1(O)CC(C)(C)C[C@@](C)(C2)C1 ZINC000096576588 563937699 /nfs/dbraw/zinc/93/76/99/563937699.db2.gz VJDVOGBAZQRBFQ-CWFSZBLJSA-N 0 0 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/nfs/dbraw/zinc/95/23/20/563952320.db2.gz ASSMMAWJBHSCEK-ZDUSSCGKSA-N 0 0 323.400 3.666 50 0 DHAARN CCONC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000069370840 563952507 /nfs/dbraw/zinc/95/25/07/563952507.db2.gz FFUSFBHHKXBFFS-UHFFFAOYSA-N 0 0 316.304 3.510 50 0 DHAARN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(C)ccn1 ZINC000069381251 563952592 /nfs/dbraw/zinc/95/25/92/563952592.db2.gz FDLYRUMJLZMFPS-CYBMUJFWSA-N 0 0 323.400 3.666 50 0 DHAARN O=C(CSCC(=O)c1ccccc1)Nc1ccc(F)cc1F ZINC000069381098 563952599 /nfs/dbraw/zinc/95/25/99/563952599.db2.gz DBUQSBLXVHYTQJ-UHFFFAOYSA-N 0 0 321.348 3.519 50 0 DHAARN COCCc1noc(CN(C)c2ccccc2-c2ccccc2)n1 ZINC000069460567 563952949 /nfs/dbraw/zinc/95/29/49/563952949.db2.gz CULKXKXQEIMVGL-UHFFFAOYSA-N 0 0 323.396 3.562 50 0 DHAARN O=[S@@](Cc1ccccc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000069460534 563952999 /nfs/dbraw/zinc/95/29/99/563952999.db2.gz GKKSALXZGRNWAH-HXUWFJFHSA-N 0 0 308.786 3.518 50 0 DHAARN Cc1ccc(C(=O)Nc2ccc(NC3CCOCC3)cc2)s1 ZINC000069485086 563953042 /nfs/dbraw/zinc/95/30/42/563953042.db2.gz YRLRCATWFUSHIM-UHFFFAOYSA-N 0 0 316.426 3.900 50 0 DHAARN O=C(CC(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000069492399 563953140 /nfs/dbraw/zinc/95/31/40/563953140.db2.gz NPCHHZNYCWHESP-UHFFFAOYSA-N 0 0 303.299 3.559 50 0 DHAARN Cc1ccc(-c2ccncc2)cc1NC(=O)c1cc(C2CC2)[nH]n1 ZINC000069486766 563953206 /nfs/dbraw/zinc/95/32/06/563953206.db2.gz NCKTXXGIRHKQEQ-UHFFFAOYSA-N 0 0 318.380 3.910 50 0 DHAARN CC(C)c1nc(CCNC(=O)C2(c3ccccc3)CC2)cs1 ZINC000069519065 563953290 /nfs/dbraw/zinc/95/32/90/563953290.db2.gz CVRGWSJOWYRCAK-UHFFFAOYSA-N 0 0 314.454 3.657 50 0 DHAARN CCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 ZINC000009134695 563953345 /nfs/dbraw/zinc/95/33/45/563953345.db2.gz PQGDKSRSCYQMTR-UHFFFAOYSA-N 0 0 310.353 3.808 50 0 DHAARN CN(CCC1CCCCC1)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000069567421 563953532 /nfs/dbraw/zinc/95/35/32/563953532.db2.gz ABSAODSNEHJUFD-UHFFFAOYSA-N 0 0 312.413 3.571 50 0 DHAARN Cc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c(C)o1 ZINC000009154418 563953555 /nfs/dbraw/zinc/95/35/55/563953555.db2.gz UHQMKSUQPMYMLC-UHFFFAOYSA-N 0 0 313.382 3.591 50 0 DHAARN COc1cc(F)ccc1NC(=O)N1CCC(n2cccc2)CC1 ZINC000069561067 563953617 /nfs/dbraw/zinc/95/36/17/563953617.db2.gz IGFNZELMTYNNER-UHFFFAOYSA-N 0 0 317.364 3.505 50 0 DHAARN Cc1noc([C@@H](C)Sc2nnc(-c3sccc3C)o2)n1 ZINC000069562225 563953641 /nfs/dbraw/zinc/95/36/41/563953641.db2.gz JLOFKADBEQHSBB-SSDOTTSWSA-N 0 0 308.388 3.651 50 0 DHAARN CCOc1ccc(F)cc1NC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000069615561 563953682 /nfs/dbraw/zinc/95/36/82/563953682.db2.gz UNGATQNPXJIRAK-UHFFFAOYSA-N 0 0 319.380 3.737 50 0 DHAARN Cc1nnc([C@@H](C)Sc2nnc(-c3sccc3C)o2)o1 ZINC000069590515 563953780 /nfs/dbraw/zinc/95/37/80/563953780.db2.gz KKEDVAOYVIFUKU-SSDOTTSWSA-N 0 0 308.388 3.651 50 0 DHAARN CSCCc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000069685592 563954172 /nfs/dbraw/zinc/95/41/72/563954172.db2.gz AGSVINLSVVOXDO-ZDUSSCGKSA-N 0 0 315.442 3.870 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2)o1 ZINC000069669066 563954237 /nfs/dbraw/zinc/95/42/37/563954237.db2.gz WHKACBFZFHABBT-UHFFFAOYSA-N 0 0 315.760 3.739 50 0 DHAARN Cc1nc2cc(C)c(C)cc2n1CC(=O)N(C)c1ccccc1 ZINC000009250285 563954314 /nfs/dbraw/zinc/95/43/14/563954314.db2.gz OXDKJRYRFRTAOL-UHFFFAOYSA-N 0 0 307.397 3.625 50 0 DHAARN Cc1noc([C@@H](C)NC(=O)Nc2ccc3c4c(cccc42)CC3)n1 ZINC000069738171 563954433 /nfs/dbraw/zinc/95/44/33/563954433.db2.gz TVWYLVPVOMSTBF-SNVBAGLBSA-N 0 0 322.368 3.513 50 0 DHAARN CC(C)(C)c1cnc(CN2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000069777361 563954541 /nfs/dbraw/zinc/95/45/41/563954541.db2.gz URHFCIDJTJJEBF-OAHLLOKOSA-N 0 0 318.392 3.685 50 0 DHAARN Cc1nc(C[S@@](=O)Cc2ccccc2C(F)(F)F)cs1 ZINC000069772672 563954643 /nfs/dbraw/zinc/95/46/43/563954643.db2.gz HFGDNVVLWRUBKP-HXUWFJFHSA-N 0 0 319.373 3.919 50 0 DHAARN CCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1 ZINC000009303485 563954809 /nfs/dbraw/zinc/95/48/09/563954809.db2.gz COWYGCDMAUEXKM-UHFFFAOYSA-N 0 0 308.337 3.993 50 0 DHAARN Cc1cc(C)cc(C[S@@](=O)Cc2ccc3c(c2)OCCO3)c1 ZINC000069895367 563955102 /nfs/dbraw/zinc/95/51/02/563955102.db2.gz QGGUEHUCIMJGAO-JOCHJYFZSA-N 0 0 316.422 3.524 50 0 DHAARN Fc1ccc2[nH]c3nc(SCCc4ccccc4)nnc3c2c1 ZINC000009341091 563955309 /nfs/dbraw/zinc/95/53/09/563955309.db2.gz MPSVXZWEZXSDHG-UHFFFAOYSA-N 0 0 324.384 3.980 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1 ZINC000009365595 563955311 /nfs/dbraw/zinc/95/53/11/563955311.db2.gz GJILGZSVKMWGQI-ZDUSSCGKSA-N 0 0 324.346 3.901 50 0 DHAARN CSc1nc2c(c(NCc3ccccc3)n1)SCCC2 ZINC000009340715 563955329 /nfs/dbraw/zinc/95/53/29/563955329.db2.gz DNRONTAIABRWCX-UHFFFAOYSA-N 0 0 303.456 3.849 50 0 DHAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1)CSC2 ZINC000009363780 563955438 /nfs/dbraw/zinc/95/54/38/563955438.db2.gz XLNLSAACPXBERX-UHFFFAOYSA-N 0 0 301.415 3.637 50 0 DHAARN COc1ccc2nc(NC(=O)Cc3cccc(F)c3)sc2c1 ZINC000009377759 563955544 /nfs/dbraw/zinc/95/55/44/563955544.db2.gz CVUAGTXOCANZPX-UHFFFAOYSA-N 0 0 316.357 3.625 50 0 DHAARN Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000009387370 563955567 /nfs/dbraw/zinc/95/55/67/563955567.db2.gz VHTZUIIJVNWBPJ-LLVKDONJSA-N 0 0 324.396 3.794 50 0 DHAARN C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3F)cc2NC1=O ZINC000009377199 563955655 /nfs/dbraw/zinc/95/56/55/563955655.db2.gz IJHQGBFIQVXHTJ-VIFPVBQESA-N 0 0 316.357 3.511 50 0 DHAARN Cc1cc(C)n(-c2cc(C)nc3c(-c4ccc(F)cc4)cnn32)n1 ZINC000009418987 563955782 /nfs/dbraw/zinc/95/57/82/563955782.db2.gz LQXMZXUHRJFVME-UHFFFAOYSA-N 0 0 321.359 3.646 50 0 DHAARN C[C@@H]1CN(c2ccc(Nc3nc4ccccc4o3)cn2)C[C@H](C)O1 ZINC000070039823 563955795 /nfs/dbraw/zinc/95/57/95/563955795.db2.gz NKXPCIUXAWDPAJ-BETUJISGSA-N 0 0 324.384 3.580 50 0 DHAARN CSc1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 ZINC000009390160 563955889 /nfs/dbraw/zinc/95/58/89/563955889.db2.gz AAHNXTRWHRJYMW-UHFFFAOYSA-N 0 0 315.394 3.629 50 0 DHAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000009445946 563955935 /nfs/dbraw/zinc/95/59/35/563955935.db2.gz ODYDTHMJHNEIEZ-HNNXBMFYSA-N 0 0 311.381 3.912 50 0 DHAARN CCCSc1nc2ccccc2c2nc(-c3ccncc3)nn21 ZINC000009420933 563955965 /nfs/dbraw/zinc/95/59/65/563955965.db2.gz FQLANFZZMFFJIB-UHFFFAOYSA-N 0 0 321.409 3.842 50 0 DHAARN CCCOc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000009479465 563956191 /nfs/dbraw/zinc/95/61/91/563956191.db2.gz MUNBMHBHAWXYNH-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN C[C@@H](NC(=O)C[C@H](C)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000009467628 563956239 /nfs/dbraw/zinc/95/62/39/563956239.db2.gz ITTHKZHBMWXSBG-UONOGXRCSA-N 0 0 307.397 3.934 50 0 DHAARN COc1ccccc1NC(=O)c1nc(-c2ccccc2)oc1C ZINC000009483078 563956264 /nfs/dbraw/zinc/95/62/64/563956264.db2.gz HREIEKZBGMBUPL-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN CCCOc1ccccc1NC(=O)c1ccc2nccnc2c1 ZINC000009496806 563956496 /nfs/dbraw/zinc/95/64/96/563956496.db2.gz KDLOITGKLUMEHL-UHFFFAOYSA-N 0 0 307.353 3.671 50 0 DHAARN CCn1nc(C)c(CNC(=O)Nc2ccc(C)c(Cl)c2)c1C ZINC000009527608 563956540 /nfs/dbraw/zinc/95/65/40/563956540.db2.gz CVQQQXPNLQAEAV-UHFFFAOYSA-N 0 0 320.824 3.803 50 0 DHAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCCCC1 ZINC000009515621 563956633 /nfs/dbraw/zinc/95/66/33/563956633.db2.gz RGLMSLFMRCCDPH-UHFFFAOYSA-N 0 0 315.392 3.691 50 0 DHAARN COc1ccc(-c2ocnc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000009527267 563956640 /nfs/dbraw/zinc/95/66/40/563956640.db2.gz NTFUPZXVUGEGSI-UHFFFAOYSA-N 0 0 308.337 3.911 50 0 DHAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(C)c3)C2)c1 ZINC000009576750 563956882 /nfs/dbraw/zinc/95/68/82/563956882.db2.gz WRLPIRPJMYKPID-LJQANCHMSA-N 0 0 308.381 3.701 50 0 DHAARN Cc1c(C(=O)NCc2ccccc2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000009576323 563956991 /nfs/dbraw/zinc/95/69/91/563956991.db2.gz NVUXIDXLYKQKLR-CQSZACIVSA-N 0 0 313.397 3.524 50 0 DHAARN Cn1ccc2cc(C(=O)NCCn3ccc4ccccc43)ccc21 ZINC000070666412 563957162 /nfs/dbraw/zinc/95/71/62/563957162.db2.gz ALBHPHFVVHYJCQ-UHFFFAOYSA-N 0 0 317.392 3.563 50 0 biogenic DHAARN Cc1cc(C)cc(N[C@H](C)C(=O)NCCc2cccs2)c1 ZINC000070817549 563957240 /nfs/dbraw/zinc/95/72/40/563957240.db2.gz KGEBWLXXBCJMIS-CQSZACIVSA-N 0 0 302.443 3.524 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000009684211 563957341 /nfs/dbraw/zinc/95/73/41/563957341.db2.gz QMFIJVDBUDOEQL-UHFFFAOYSA-N 0 0 307.397 3.854 50 0 DHAARN O=C(N[C@@H]1CCSc2ccccc21)c1[nH]nc2ccccc21 ZINC000009671526 563957358 /nfs/dbraw/zinc/95/73/58/563957358.db2.gz YHNWJCQWWCMPHH-CYBMUJFWSA-N 0 0 309.394 3.530 50 0 DHAARN CCOC(=O)c1oc2ccc(NC(=O)c3cccnc3)cc2c1C ZINC000009659847 563957368 /nfs/dbraw/zinc/95/73/68/563957368.db2.gz ZGZREWWIMVSVKY-UHFFFAOYSA-N 0 0 324.336 3.565 50 0 DHAARN Cc1ccc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)cc1C ZINC000009728682 563957442 /nfs/dbraw/zinc/95/74/42/563957442.db2.gz JQZYPJURYXUPKE-UHFFFAOYSA-N 0 0 319.364 3.838 50 0 DHAARN O=C(OCc1ccc(F)cc1)c1cncn1-c1ccc(F)cc1 ZINC000009834130 563957753 /nfs/dbraw/zinc/95/77/53/563957753.db2.gz LNROMCYFGSTYFI-UHFFFAOYSA-N 0 0 314.291 3.508 50 0 DHAARN Cc1ccc(SCCNC(=O)NCc2ccccc2C)cc1 ZINC000009873507 563957763 /nfs/dbraw/zinc/95/77/63/563957763.db2.gz KFGBHQQAAGYLMT-UHFFFAOYSA-N 0 0 314.454 3.895 50 0 DHAARN O=C(NN1CCCCC1)c1cc2c(s1)-c1ccccc1CC2 ZINC000009835680 563957834 /nfs/dbraw/zinc/95/78/34/563957834.db2.gz CTQKAWIMVOBFBA-UHFFFAOYSA-N 0 0 312.438 3.644 50 0 DHAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccco1 ZINC000009836689 563957835 /nfs/dbraw/zinc/95/78/35/563957835.db2.gz WMGDPYJLWYINJX-UHFFFAOYSA-N 0 0 300.745 3.720 50 0 DHAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ccccc1 ZINC000009895879 563957935 /nfs/dbraw/zinc/95/79/35/563957935.db2.gz WIVKJCFYFPABSG-SFHVURJKSA-N 0 0 319.408 3.859 50 0 DHAARN O=C(Oc1ccccc1)N1CCN(c2ccccc2Cl)CC1 ZINC000009945500 563958025 /nfs/dbraw/zinc/95/80/25/563958025.db2.gz FQBYUNDHKUECHY-UHFFFAOYSA-N 0 0 316.788 3.661 50 0 DHAARN COc1ccc2cc(CNC(=O)NCc3ccccc3)ccc2c1 ZINC000009961051 563958116 /nfs/dbraw/zinc/95/81/16/563958116.db2.gz QHDBNEPLPWNWLD-UHFFFAOYSA-N 0 0 320.392 3.848 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)s1 ZINC000010132778 563958202 /nfs/dbraw/zinc/95/82/02/563958202.db2.gz FKEPMHAQNBZZFP-SECBINFHSA-N 0 0 322.817 3.851 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1 ZINC000010286885 563958698 /nfs/dbraw/zinc/95/86/98/563958698.db2.gz SHGBZTRDJQUDKE-LBPRGKRZSA-N 0 0 310.319 3.511 50 0 DHAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 ZINC000010404351 563958735 /nfs/dbraw/zinc/95/87/35/563958735.db2.gz XALUJHXCJVJNSO-UHFFFAOYSA-N 0 0 312.369 3.512 50 0 DHAARN CC(C)[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccc1 ZINC000010405692 563958830 /nfs/dbraw/zinc/95/88/30/563958830.db2.gz JLVDEEFRPFTUEV-QGZVFWFLSA-N 0 0 308.385 3.687 50 0 DHAARN CC[C@H]1c2ccsc2CCN1C(=O)c1csc(COC)n1 ZINC000071830950 563958950 /nfs/dbraw/zinc/95/89/50/563958950.db2.gz VULIDBJWSVLQNB-LBPRGKRZSA-N 0 0 322.455 3.501 50 0 DHAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CCOC1 ZINC000071832981 563959050 /nfs/dbraw/zinc/95/90/50/563959050.db2.gz VDTBHPHNKOFCQK-LPHOPBHVSA-N 0 0 321.376 3.675 50 0 DHAARN CC(=O)c1cccc(OCc2noc(-c3cccs3)n2)c1 ZINC000071851825 563959212 /nfs/dbraw/zinc/95/92/12/563959212.db2.gz SSRRDPQCXHZJGP-UHFFFAOYSA-N 0 0 300.339 3.580 50 0 DHAARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCC1CCCCCCC1 ZINC000071844143 563959268 /nfs/dbraw/zinc/95/92/68/563959268.db2.gz CGFSPQDPNPNINB-CYBMUJFWSA-N 0 0 305.466 3.617 50 0 DHAARN C[C@@H](c1cccnc1)N(C)C(=O)NCC1(c2ccccc2)CC1 ZINC000071841261 563959325 /nfs/dbraw/zinc/95/93/25/563959325.db2.gz UBNGMGVHDLROBD-HNNXBMFYSA-N 0 0 309.413 3.516 50 0 DHAARN CC(C)c1nc(CNC(=O)N(C)[C@@H](C)c2cccnc2)cs1 ZINC000071879973 563959459 /nfs/dbraw/zinc/95/94/59/563959459.db2.gz FNKCEYNWNNIFSP-LBPRGKRZSA-N 0 0 318.446 3.564 50 0 DHAARN C[C@H](Sc1cc(-n2ccnc2)ncn1)c1ccccc1F ZINC000077214126 563960659 /nfs/dbraw/zinc/96/06/59/563960659.db2.gz CEZTWSXBPJOCHU-NSHDSACASA-N 0 0 300.362 3.655 50 0 DHAARN CCO[C@@H](C)c1nc(CN(CC)c2cccc(CO)c2)cs1 ZINC000076725272 563960715 /nfs/dbraw/zinc/96/07/15/563960715.db2.gz MOEJBHOCWLKYAB-ZDUSSCGKSA-N 0 0 320.458 3.759 50 0 DHAARN CCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(C)c1 ZINC000038140467 563961996 /nfs/dbraw/zinc/96/19/96/563961996.db2.gz MYIIIIXYQRXEKK-UHFFFAOYSA-N 0 0 307.397 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/nfs/dbraw/zinc/38/26/90/1020382690.db2.gz DIQUAFGAOMACHX-UHFFFAOYSA-N 0 0 322.455 3.598 50 0 DHAARN CCCSc1ccc(NC(=O)c2cc(C)nn2CC)cc1 ZINC000822996048 1020388253 /nfs/dbraw/zinc/38/82/53/1020388253.db2.gz VMGUCTMWBALUFI-UHFFFAOYSA-N 0 0 303.431 3.966 50 0 DHAARN COc1ccc(F)cc1-c1nc2c(-c3ccccc3)[nH]n(C)c-2n1 ZINC000824742790 1020581671 /nfs/dbraw/zinc/58/16/71/1020581671.db2.gz NIFTXNZZHUJSKP-UHFFFAOYSA-N 0 0 322.343 3.778 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](c3cccs3)C2)c1 ZINC000825164453 1020631341 /nfs/dbraw/zinc/63/13/41/1020631341.db2.gz RJHXIGJMWCXCEK-AWEZNQCLSA-N 0 0 321.467 3.543 50 0 DHAARN O=C(Nc1ccc(Cl)nc1)c1cc2ccccc2c(=O)s1 ZINC000825558917 1020663101 /nfs/dbraw/zinc/66/31/01/1020663101.db2.gz HWQJZUSFRKSTIS-UHFFFAOYSA-N 0 0 316.769 3.562 50 0 DHAARN O=C(Nc1ccccc1OC[C@@H]1CCCO1)C1CCCCC1 ZINC000827726870 1020788623 /nfs/dbraw/zinc/78/86/23/1020788623.db2.gz ROGYXSOJBORAIB-HNNXBMFYSA-N 0 0 303.402 3.763 50 0 DHAARN O=C(C[C@H](c1ccco1)c1ccccc1)NCCc1ccco1 ZINC000827802447 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319.445 3.651 50 0 DHAARN C[C@H](NC(=O)/C=C\c1cccnc1)c1ccccc1OC(F)F ZINC000097026851 185398786 /nfs/dbraw/zinc/39/87/86/185398786.db2.gz HEXSFIUCUWHVFB-LAUAKBEESA-N 0 0 318.323 3.574 50 0 DHAARN C[C@@H](NC(=O)/C=C\c1cccnc1)c1ccccc1OC(F)F ZINC000097026852 185398816 /nfs/dbraw/zinc/39/88/16/185398816.db2.gz HEXSFIUCUWHVFB-JLVNDZCYSA-N 0 0 318.323 3.574 50 0 DHAARN Cc1ccc(-c2ccc(C(=O)N3CCOCC[C@H]3C)s2)o1 ZINC000097081481 185406772 /nfs/dbraw/zinc/40/67/72/185406772.db2.gz RFUJWOUOVMHGQT-LLVKDONJSA-N 0 0 305.399 3.568 50 0 DHAARN Cc1ccc(-c2ccc(C(=O)N3CC[C@]4(CCOC4)C3)s2)o1 ZINC000097081386 185406933 /nfs/dbraw/zinc/40/69/33/185406933.db2.gz FHPQWASEHDUBEX-KRWDZBQOSA-N 0 0 317.410 3.569 50 0 DHAARN CSc1c(F)cc(NC(=O)Nc2c(C)n[nH]c2C)cc1F ZINC000097107722 185410745 /nfs/dbraw/zinc/41/07/45/185410745.db2.gz QKHHVYNGGFDGBD-UHFFFAOYSA-N 0 0 312.345 3.671 50 0 DHAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(C)c3)C2)cc1 ZINC000102799130 185422031 /nfs/dbraw/zinc/42/20/31/185422031.db2.gz 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192380167 /nfs/dbraw/zinc/38/01/67/192380167.db2.gz HXYVHDYVRCTCRM-AWEZNQCLSA-N 0 0 324.428 3.523 50 0 DHAARN Cc1nc(C)c(C(=O)N2CC[C@@H](C)Sc3ccccc32)o1 ZINC000084061285 192397565 /nfs/dbraw/zinc/39/75/65/192397565.db2.gz ACPZGCXTVRBEJP-SNVBAGLBSA-N 0 0 302.399 3.823 50 0 DHAARN CC(C)(Br)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000071666490 191001355 /nfs/dbraw/zinc/00/13/55/191001355.db2.gz RHCCBBAABXPUPL-UHFFFAOYSA-N 0 0 310.113 3.817 50 0 DHAARN O=C(NCCc1ccc(O)cc1)Nc1cccc2ccsc21 ZINC000084494007 192433035 /nfs/dbraw/zinc/43/30/35/192433035.db2.gz FZEQUMHEPQOUNP-UHFFFAOYSA-N 0 0 312.394 3.971 50 0 DHAARN CSc1ncc(-c2nccn2CC[C@@H]2C[C@@H]3C=C[C@H]2C3)cn1 ZINC000071749284 191022197 /nfs/dbraw/zinc/02/21/97/191022197.db2.gz PUWAHHMFIKZCAK-HZSPNIEDSA-N 0 0 312.442 3.664 50 0 DHAARN c1cnn(Cc2ccccc2-c2nccn2CCc2ccco2)c1 ZINC000071753757 191023607 /nfs/dbraw/zinc/02/36/07/191023607.db2.gz SUVSGZQYTIRUDA-UHFFFAOYSA-N 0 0 318.380 3.631 50 0 DHAARN COc1ccc2cc([C@@H]3CN(CCCF)CCO3)ccc2c1 ZINC000071754508 191025125 /nfs/dbraw/zinc/02/51/25/191025125.db2.gz VWNYCEKIJIXOOO-SFHVURJKSA-N 0 0 303.377 3.581 50 0 DHAARN c1cnn(-c2ccccc2Cn2ccnc2-c2cccs2)c1 ZINC000071759653 191026514 /nfs/dbraw/zinc/02/65/14/191026514.db2.gz RKAFMMPZQDDCRN-UHFFFAOYSA-N 0 0 306.394 3.846 50 0 DHAARN Clc1ccc([C@H]2CN(CCCc3cccnc3)CCO2)cc1 ZINC000071761204 191026850 /nfs/dbraw/zinc/02/68/50/191026850.db2.gz CQYHWLCOYYITLF-GOSISDBHSA-N 0 0 316.832 3.741 50 0 DHAARN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1sccc1C1CC1 ZINC000084562945 192440989 /nfs/dbraw/zinc/44/09/89/192440989.db2.gz NMVCBISSAADPDR-UHFFFAOYSA-N 0 0 323.421 3.946 50 0 DHAARN c1c(CNc2nccc(C3CCCC3)n2)onc1-c1ccccn1 ZINC000071768017 191028598 /nfs/dbraw/zinc/02/85/98/191028598.db2.gz BFEYREQILUXYAT-UHFFFAOYSA-N 0 0 321.384 3.796 50 0 DHAARN COC[C@@](O)(c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000071767151 191028754 /nfs/dbraw/zinc/02/87/54/191028754.db2.gz VBIZCWZPGGDLKZ-LEWJYISDSA-N 0 0 319.404 3.748 50 0 DHAARN O=C(c1ccc(Cl)o1)N(CC(F)(F)F)c1ccccn1 ZINC000071853677 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ZINC000072153737 191058192 /nfs/dbraw/zinc/05/81/92/191058192.db2.gz VHWLMSVUIMMAGX-UHFFFAOYSA-N 0 0 319.836 3.518 50 0 DHAARN COc1ccccc1OC1CN(Cc2ccc(Cl)s2)C1 ZINC000072158985 191062585 /nfs/dbraw/zinc/06/25/85/191062585.db2.gz WODRECGHEQZXJH-UHFFFAOYSA-N 0 0 309.818 3.673 50 0 DHAARN Cc1cc(S(=O)(=O)NC2CCCCC2)c(Cl)cc1Cl ZINC000144571823 186036114 /nfs/dbraw/zinc/03/61/14/186036114.db2.gz GYQQEBFNORLKTE-UHFFFAOYSA-N 0 0 322.257 3.913 50 0 DHAARN CCN(CC1CC1)c1nc(C(C)C)nc2c(C)nn(CC)c21 ZINC000072238362 191081382 /nfs/dbraw/zinc/08/13/82/191081382.db2.gz MIUYWDUFUGKBFZ-UHFFFAOYSA-N 0 0 301.438 3.514 50 0 DHAARN CC(C)Oc1cc(C(=O)NCc2cccnc2)cc2occc21 ZINC000072240191 191084337 /nfs/dbraw/zinc/08/43/37/191084337.db2.gz JUFZKIMCAZCZGZ-UHFFFAOYSA-N 0 0 310.353 3.545 50 0 DHAARN Cc1ccnc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000072243368 191086400 /nfs/dbraw/zinc/08/64/00/191086400.db2.gz JFOABJCCUHEIEI-UHFFFAOYSA-N 0 0 320.274 3.537 50 0 DHAARN Cc1ncc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000072254919 191089149 /nfs/dbraw/zinc/08/91/49/191089149.db2.gz FISNDCHZAIAHPD-LBPRGKRZSA-N 0 0 314.332 3.827 50 0 DHAARN COc1ccccc1Oc1ccc(C(=O)NCc2ccco2)o1 ZINC000072265311 191089471 /nfs/dbraw/zinc/08/94/71/191089471.db2.gz SGWZYGNICNXGGY-UHFFFAOYSA-N 0 0 313.309 3.604 50 0 DHAARN CCCO[C@@H]1CCCN(C(=O)c2cccc3ncccc32)CC1 ZINC000072273243 191096078 /nfs/dbraw/zinc/09/60/78/191096078.db2.gz OHVHMDNASBRLNS-OAHLLOKOSA-N 0 0 312.413 3.656 50 0 DHAARN Cc1nn(C)c(C)c1C(=O)N[C@H](C)Cc1ccc2ccccc2c1 ZINC000072280470 191101478 /nfs/dbraw/zinc/10/14/78/191101478.db2.gz FKGKHLCQFXVJHU-CYBMUJFWSA-N 0 0 321.424 3.551 50 0 DHAARN CCc1csc([C@H]2CCCN(C(=O)CCc3ccco3)C2)n1 ZINC000072282289 191103288 /nfs/dbraw/zinc/10/32/88/191103288.db2.gz IRHLSAFSEAETNH-ZDUSSCGKSA-N 0 0 318.442 3.637 50 0 DHAARN Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc(Cl)c1 ZINC000072286767 191105855 /nfs/dbraw/zinc/10/58/55/191105855.db2.gz HZSZPAZNTBIMKZ-OAQYLSRUSA-N 0 0 321.829 3.779 50 0 DHAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccccc1Cl 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Cc1ccccc1NC(=O)N[C@H](C)Cc1ccc2c(c1)CCO2 ZINC000225604117 186282294 /nfs/dbraw/zinc/28/22/94/186282294.db2.gz IUGFNHSTCNKJKX-CQSZACIVSA-N 0 0 310.397 3.683 50 0 DHAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000225610439 186283533 /nfs/dbraw/zinc/28/35/33/186283533.db2.gz OQHZEJARZFIVDS-XHDPSFHLSA-N 0 0 324.852 3.699 50 0 DHAARN CC(C)CC[C@H](NCc1nnc2n1CCCCC2)c1ccoc1 ZINC000225631673 186284969 /nfs/dbraw/zinc/28/49/69/186284969.db2.gz BQZQGPPWEMFUJB-INIZCTEOSA-N 0 0 316.449 3.865 50 0 DHAARN CC(=O)c1ccc(CCNC(=O)c2ccc(Cl)s2)s1 ZINC000225670633 186288227 /nfs/dbraw/zinc/28/82/27/186288227.db2.gz YYMJCAJJIYLLNF-UHFFFAOYSA-N 0 0 313.831 3.638 50 0 DHAARN C[C@H]1CCN(Cc2ncnn2C(C)(C)C)[C@H](c2ccco2)C1 ZINC000253392627 186302985 /nfs/dbraw/zinc/30/29/85/186302985.db2.gz SCYKMURPJHQTAL-KBPBESRZSA-N 0 0 302.422 3.599 50 0 DHAARN C[C@@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H](c2ccsc2)O1 ZINC000253395861 186304613 /nfs/dbraw/zinc/30/46/13/186304613.db2.gz UCNVTMJTYYNJSH-IAQYHMDHSA-N 0 0 317.410 3.821 50 0 DHAARN C[C@H]1CN(C(=O)c2ccoc2C2CC2)C[C@H](c2ccsc2)O1 ZINC000253395870 186305226 /nfs/dbraw/zinc/30/52/26/186305226.db2.gz UCNVTMJTYYNJSH-XHDPSFHLSA-N 0 0 317.410 3.821 50 0 DHAARN CCO[C@H]1C[C@@H](NC(=O)c2sc(C)cc2OC)C12CCCC2 ZINC000072303474 191116334 /nfs/dbraw/zinc/11/63/34/191116334.db2.gz LCJQZXDRXVBNQO-KGLIPLIRSA-N 0 0 323.458 3.533 50 0 DHAARN CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1cccc2ccccc21 ZINC000072303874 191116722 /nfs/dbraw/zinc/11/67/22/191116722.db2.gz GDEYDVHDHXQDBV-ZDUSSCGKSA-N 0 0 314.385 3.549 50 0 DHAARN CNc1nc(CNC(=O)Nc2cccc3ccccc32)cs1 ZINC000072306138 191118037 /nfs/dbraw/zinc/11/80/37/191118037.db2.gz RFIIQHQQALUQNT-UHFFFAOYSA-N 0 0 312.398 3.660 50 0 DHAARN Cn1c(S[C@H]2CCc3ccc(F)cc32)nnc1-c1ccco1 ZINC000072312857 191120309 /nfs/dbraw/zinc/12/03/09/191120309.db2.gz YLBUNEYFQYPYSX-AWEZNQCLSA-N 0 0 315.373 3.994 50 0 DHAARN CC(C)C[C@H](CCO)CNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000072311633 191119633 /nfs/dbraw/zinc/11/96/33/191119633.db2.gz OLUBUXGZBCSTMM-KBPBESRZSA-N 0 0 323.502 3.647 50 0 DHAARN CCc1ccc(CNC(=O)c2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000072328917 191124273 /nfs/dbraw/zinc/12/42/73/191124273.db2.gz XYIJLPQBZUTQKT-UHFFFAOYSA-N 0 0 319.408 3.878 50 0 DHAARN O=C(NCCCc1ccccc1)c1c[nH]nc1-c1cccs1 ZINC000072329471 191124457 /nfs/dbraw/zinc/12/44/57/191124457.db2.gz KXVKGZLDDBNAHQ-UHFFFAOYSA-N 0 0 311.410 3.501 50 0 DHAARN Cc1ccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000072331217 191124532 /nfs/dbraw/zinc/12/45/32/191124532.db2.gz FYIPIVMREBHKHU-UHFFFAOYSA-N 0 0 308.425 3.574 50 0 DHAARN CCc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000072331462 191125346 /nfs/dbraw/zinc/12/53/46/191125346.db2.gz ZFOOSQNCZZKLFF-UHFFFAOYSA-N 0 0 318.214 3.942 50 0 DHAARN CC(C)(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000000031487 180672085 /nfs/dbraw/zinc/67/20/85/180672085.db2.gz RSLKMYVANZKTGF-UHFFFAOYSA-N 0 0 314.335 3.961 50 0 DHAARN Cn1c(C(=O)Nc2nc3c(s2)CCC3)cc2cc(F)ccc21 ZINC000072402962 191150428 /nfs/dbraw/zinc/15/04/28/191150428.db2.gz YXJCUCRTICURBC-UHFFFAOYSA-N 0 0 315.373 3.515 50 0 DHAARN O=C1C[C@@H](C(F)(F)F)c2cnn(Cc3cccs3)c2N1 ZINC000072406239 191152760 /nfs/dbraw/zinc/15/27/60/191152760.db2.gz HAUYTLLTKKQDRX-SECBINFHSA-N 0 0 301.293 3.631 50 0 DHAARN Cc1c(CN(C)Cc2csc(-c3cccs3)n2)cnn1C ZINC000072409529 191154490 /nfs/dbraw/zinc/15/44/90/191154490.db2.gz JZPWHWYJBXRMAD-UHFFFAOYSA-N 0 0 318.471 3.546 50 0 DHAARN Cn1cc(C=C2SC(=O)N=C2Nc2cccc(Cl)c2)cn1 ZINC000072401708 191150660 /nfs/dbraw/zinc/15/06/60/191150660.db2.gz KRNNBEULSQECSK-XGICHPGQSA-N 0 0 318.789 3.792 50 0 DHAARN O=c1c2ccccc2nc(-c2ccco2)n1CCc1ccccc1 ZINC000000049416 180677536 /nfs/dbraw/zinc/67/75/36/180677536.db2.gz ZFIMKOHGGKYLGR-UHFFFAOYSA-N 0 0 316.360 3.899 50 0 in-vivo DHAARN COc1ccccc1[C@H]1CC(=O)Nc2c1cnn2Cc1ccco1 ZINC000072403732 191151676 /nfs/dbraw/zinc/15/16/76/191151676.db2.gz QLHNKFGWTVQMEY-CQSZACIVSA-N 0 0 323.352 3.657 50 0 DHAARN O=C(COc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000000054996 180679372 /nfs/dbraw/zinc/67/93/72/180679372.db2.gz FPPJFIZOEIOVKE-UHFFFAOYSA-N 0 0 309.409 3.547 50 0 DHAARN CC1(C)CC2=NN(C(=O)c3ccco3)[C@H](c3ccccc3)[C@@H]2CO1 ZINC000000054398 180679551 /nfs/dbraw/zinc/67/95/51/180679551.db2.gz XPWQEOGWPADSKG-RHSMWYFYSA-N 0 0 324.380 3.648 50 0 DHAARN CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 ZINC000072419882 191156710 /nfs/dbraw/zinc/15/67/10/191156710.db2.gz NQQRTGRCLKLGRS-GOSISDBHSA-N 0 0 310.397 3.846 50 0 DHAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1F ZINC000000090982 180689390 /nfs/dbraw/zinc/68/93/90/180689390.db2.gz LPYAFGXZLVGYQQ-UHFFFAOYSA-N 0 0 321.373 3.879 50 0 DHAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)c3ccccc3)ccc12 ZINC000000082507 180686651 /nfs/dbraw/zinc/68/66/51/180686651.db2.gz PNRWLQBAIFWKKM-ZDUSSCGKSA-N 0 0 308.333 3.752 50 0 biogenic DHAARN C[C@H](C(=O)N(C)Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000072421811 191157993 /nfs/dbraw/zinc/15/79/93/191157993.db2.gz XSYUTPZZYJPZFB-INIZCTEOSA-N 0 0 319.408 3.634 50 0 DHAARN COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC ZINC000000116772 180697896 /nfs/dbraw/zinc/69/78/96/180697896.db2.gz RJFMUYZWDLSYSX-GFCCVEGCSA-N 0 0 309.369 3.820 50 0 DHAARN COc1cccc(-c2nc(-c3ccc(Br)o3)no2)c1 ZINC000000116774 180698088 /nfs/dbraw/zinc/69/80/88/180698088.db2.gz UXGUULAJPLEVKH-UHFFFAOYSA-N 0 0 321.130 3.768 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000123220 180700764 /nfs/dbraw/zinc/70/07/64/180700764.db2.gz JTJUVXPRZUGBSK-UHFFFAOYSA-N 0 0 303.745 3.769 50 0 DHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 ZINC000000128687 180702338 /nfs/dbraw/zinc/70/23/38/180702338.db2.gz IHXXWOOUWYJOHP-UHFFFAOYSA-N 0 0 315.394 3.940 50 0 DHAARN O=C(Nc1cccc2ccccc21)[C@H]1COc2ccccc2O1 ZINC000000130568 180702725 /nfs/dbraw/zinc/70/27/25/180702725.db2.gz VQJGXKHLSMYYQO-GOSISDBHSA-N 0 0 305.333 3.618 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000072448748 191170178 /nfs/dbraw/zinc/17/01/78/191170178.db2.gz BKLFVYBTBSBAOL-UHFFFAOYSA-N 0 0 324.767 3.948 50 0 DHAARN Cc1ccc(Oc2cccc(C(=O)NC3CCCCC3)c2)nn1 ZINC000072442124 191167116 /nfs/dbraw/zinc/16/71/16/191167116.db2.gz UNONMINBDJFYMN-UHFFFAOYSA-N 0 0 311.385 3.640 50 0 DHAARN CCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N ZINC000000148908 180708891 /nfs/dbraw/zinc/70/88/91/180708891.db2.gz KGQYQOBFNHOQGH-UHFFFAOYSA-N 0 0 304.463 3.534 50 0 DHAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(Cl)cc1Cl ZINC000000153189 180710303 /nfs/dbraw/zinc/71/03/03/180710303.db2.gz MBOSIQQMKNDSDJ-UHFFFAOYSA-N 0 0 309.967 3.846 50 0 DHAARN O=C1c2ccccc2C[C@@]12O[C@@H]2c1ccc(Br)cc1 ZINC000000163801 180712327 /nfs/dbraw/zinc/71/23/27/180712327.db2.gz NQZFTSFFBARDLY-HZPDHXFCSA-N 0 0 315.166 3.698 50 0 DHAARN CCCC(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C ZINC000000168887 180713418 /nfs/dbraw/zinc/71/34/18/180713418.db2.gz RUSIUXHYVAMPCM-UHFFFAOYSA-N 0 0 308.385 3.776 50 0 DHAARN Cc1ccoc1C(=O)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072478177 191179884 /nfs/dbraw/zinc/17/98/84/191179884.db2.gz SJYQEZBHWFNSBG-CQSZACIVSA-N 0 0 313.332 3.581 50 0 DHAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(C(C)C)s1 ZINC000000199443 180722690 /nfs/dbraw/zinc/72/26/90/180722690.db2.gz LYPLHHRZSFVCLK-UHFFFAOYSA-N 0 0 311.794 3.576 50 0 DHAARN C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@@H](C)O1 ZINC000000267634 180743269 /nfs/dbraw/zinc/74/32/69/180743269.db2.gz IMXXRDJKUAZOLN-HUUCEWRRSA-N 0 0 311.381 3.728 50 0 DHAARN Cn1cc(CCCC(=O)NCCc2ccccc2)c2ccccc21 ZINC000000218763 180730087 /nfs/dbraw/zinc/73/00/87/180730087.db2.gz OUJAFBFHSWAJML-UHFFFAOYSA-N 0 0 320.436 3.860 50 0 DHAARN Cc1ccc(CCNC(=O)CCc2cn(C)c3ccccc23)cc1 ZINC000000218392 180730127 /nfs/dbraw/zinc/73/01/27/180730127.db2.gz DWGVBNXDDWVLSW-UHFFFAOYSA-N 0 0 320.436 3.778 50 0 DHAARN O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCCCC1 ZINC000000272853 180744665 /nfs/dbraw/zinc/74/46/65/180744665.db2.gz JMJYFJSMFLWAKM-UHFFFAOYSA-N 0 0 317.410 3.654 50 0 DHAARN CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(C)(C)C)c1 ZINC000000274501 180745414 /nfs/dbraw/zinc/74/54/14/180745414.db2.gz CNZHIKILLSYUOK-UHFFFAOYSA-N 0 0 303.446 3.754 50 0 DHAARN COc1ccc(C(=O)Nc2cccc3cccnc32)cc1OC ZINC000000283028 180747347 /nfs/dbraw/zinc/74/73/47/180747347.db2.gz NSZXIDCHROKCHX-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN COc1ccccc1OCCn1c(C)c(C=O)c2ccccc21 ZINC000000308172 180755055 /nfs/dbraw/zinc/75/50/55/180755055.db2.gz WZQVMZGHEUKKTI-UHFFFAOYSA-N 0 0 309.365 3.850 50 0 DHAARN CC(C)CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000000323942 180759149 /nfs/dbraw/zinc/75/91/49/180759149.db2.gz SFTKSMKOGDQCFY-UHFFFAOYSA-N 0 0 319.408 3.925 50 0 DHAARN CCN(CC)c1ncnc(Cl)c1Cc1ccc(OC)cc1 ZINC000000371152 180769327 /nfs/dbraw/zinc/76/93/27/180769327.db2.gz MDLPNJLNNSNRSU-UHFFFAOYSA-N 0 0 305.809 3.576 50 0 DHAARN CCc1c(C)sc2nc(C)n(-c3ccc(OC)cc3)c(=O)c12 ZINC000000374851 180770617 /nfs/dbraw/zinc/77/06/17/180770617.db2.gz BRGCZUANWGYYNX-UHFFFAOYSA-N 0 0 314.410 3.635 50 0 DHAARN CC(C)(C)Cc1nnc(NC(=O)CSc2ccccc2)s1 ZINC000000380363 180771534 /nfs/dbraw/zinc/77/15/34/180771534.db2.gz YESKFWAINJGIKF-UHFFFAOYSA-N 0 0 321.471 3.858 50 0 DHAARN CCOC(=O)c1cn(-c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000000348013 180763553 /nfs/dbraw/zinc/76/35/53/180763553.db2.gz FEQKIRHNTBGQKW-UHFFFAOYSA-N 0 0 322.364 3.725 50 0 DHAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000000423891 180785088 /nfs/dbraw/zinc/78/50/88/180785088.db2.gz IMNPSKUREUEVML-INIZCTEOSA-N 0 0 321.348 3.752 50 0 DHAARN COc1ccc(C)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000000455398 180796514 /nfs/dbraw/zinc/79/65/14/180796514.db2.gz NDDCFPNJOSMVIR-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN CCC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000461958 180798686 /nfs/dbraw/zinc/79/86/86/180798686.db2.gz AMRKFXICTVXBBA-UHFFFAOYSA-N 0 0 303.745 3.908 50 0 DHAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCOCC1 ZINC000000467774 180799951 /nfs/dbraw/zinc/79/99/51/180799951.db2.gz ABXWNUUVJVRLLE-UHFFFAOYSA-N 0 0 314.410 3.508 50 0 DHAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1COc2ccccc2O1 ZINC000000444243 180792841 /nfs/dbraw/zinc/79/28/41/180792841.db2.gz IELRAPZSPQMTOL-SFHVURJKSA-N 0 0 305.333 3.618 50 0 DHAARN Cc1c(Cl)cccc1NC(=S)NC(=O)Cc1ccccc1 ZINC000000455789 180796433 /nfs/dbraw/zinc/79/64/33/180796433.db2.gz MDBFYGULQNRWRI-UHFFFAOYSA-N 0 0 318.829 3.704 50 0 DHAARN COC(=O)c1sccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000000473505 180802083 /nfs/dbraw/zinc/80/20/83/180802083.db2.gz AGKJEXHCYJVYBJ-UHFFFAOYSA-N 0 0 303.383 3.910 50 0 DHAARN O=c1sc2ccccc2n1Cn1c2ccccc2oc1=S ZINC000000495408 180807650 /nfs/dbraw/zinc/80/76/50/180807650.db2.gz RVJNKQCHUXTJHJ-UHFFFAOYSA-N 0 0 314.391 3.846 50 0 DHAARN COc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3ncnn32)c1 ZINC000000523274 180812067 /nfs/dbraw/zinc/81/20/67/180812067.db2.gz ZUATUFKLGFZBPT-DLBZAZTESA-N 0 0 324.359 3.572 50 0 DHAARN O=C1N2CCCN2[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000000552785 180819532 /nfs/dbraw/zinc/81/95/32/180819532.db2.gz DORYVZVGJKNMQU-INIZCTEOSA-N 0 0 313.788 3.902 50 0 DHAARN Cc1ccc(C)c(N(Cc2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000000571815 180824507 /nfs/dbraw/zinc/82/45/07/180824507.db2.gz HZHDFGOWNLHAKR-UHFFFAOYSA-N 0 0 323.845 3.923 50 0 DHAARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccco1 ZINC000000556120 180821095 /nfs/dbraw/zinc/82/10/95/180821095.db2.gz XJSMPILAFHBRIX-UHFFFAOYSA-N 0 0 315.181 3.713 50 0 DHAARN COc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1O ZINC000000818133 180835357 /nfs/dbraw/zinc/83/53/57/180835357.db2.gz KKMYSIQVPNDSRB-LJQANCHMSA-N 0 0 321.380 3.854 50 0 DHAARN Cc1ccc(C(C)C)cc1OC[C@H](O)Cn1cnc2ccccc21 ZINC000000621686 180831512 /nfs/dbraw/zinc/83/15/12/180831512.db2.gz RDFHBVQRQOYOLI-QGZVFWFLSA-N 0 0 324.424 3.908 50 0 DHAARN O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000001055373 180843938 /nfs/dbraw/zinc/84/39/38/180843938.db2.gz VHPHKWPULFOYHB-UHFFFAOYSA-N 0 0 311.772 3.837 50 0 DHAARN COC(=O)c1cc(C)sc1NC(=O)c1ccccc1Cl ZINC000001055588 180844269 /nfs/dbraw/zinc/84/42/69/180844269.db2.gz MGONQFRZZPFUNA-UHFFFAOYSA-N 0 0 309.774 3.749 50 0 DHAARN CC(C)(C)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 ZINC000000859752 180836910 /nfs/dbraw/zinc/83/69/10/180836910.db2.gz WRHZAXORGLUOAO-UHFFFAOYSA-N 0 0 309.822 3.670 50 0 DHAARN CCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 ZINC000001294459 180853825 /nfs/dbraw/zinc/85/38/25/180853825.db2.gz WYNBMXUGWZVTJS-UHFFFAOYSA-N 0 0 310.401 3.897 50 0 DHAARN CC(C)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321102 180854230 /nfs/dbraw/zinc/85/42/30/180854230.db2.gz FMKJWIPSBBVSJB-NSHDSACASA-N 0 0 319.474 3.660 50 0 DHAARN CCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21 ZINC000001256652 180851880 /nfs/dbraw/zinc/85/18/80/180851880.db2.gz GVXLGJBOVUBGCX-UHFFFAOYSA-N 0 0 310.401 3.897 50 0 DHAARN Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000001404575 180862650 /nfs/dbraw/zinc/86/26/50/180862650.db2.gz PUUTYHLEAKDYNR-UHFFFAOYSA-N 0 0 322.813 3.695 50 0 DHAARN CCNC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001381796 180857100 /nfs/dbraw/zinc/85/71/00/180857100.db2.gz VRCVESQFEBCCJS-UHFFFAOYSA-N 0 0 303.365 3.560 50 0 DHAARN Cc1cccc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c1 ZINC000001386022 180858323 /nfs/dbraw/zinc/85/83/23/180858323.db2.gz OBEFWQRDAXUIKM-UHFFFAOYSA-N 0 0 304.275 3.657 50 0 DHAARN COC(=O)c1sccc1Nc1ccnc(C(F)(F)F)c1 ZINC000001394234 180859955 /nfs/dbraw/zinc/85/99/55/180859955.db2.gz LWOQRLMYMGTMDT-UHFFFAOYSA-N 0 0 302.277 3.692 50 0 DHAARN COC(=O)c1sccc1-c1ccc(COC(=O)C(C)(C)C)o1 ZINC000001393441 180860323 /nfs/dbraw/zinc/86/03/23/180860323.db2.gz HRFSUXSGVWGGFB-UHFFFAOYSA-N 0 0 322.382 3.884 50 0 DHAARN CCOC(=O)N[C@H](c1ccccc1F)[C@@H]1CCCCCC1=O ZINC000001394472 180860376 /nfs/dbraw/zinc/86/03/76/180860376.db2.gz YKUFZUFGJRFXKK-CZUORRHYSA-N 0 0 307.365 3.762 50 0 DHAARN CCN(C(=O)c1c(C)cc(Cl)nc1OC)c1ccccc1 ZINC000001446063 180867103 /nfs/dbraw/zinc/86/71/03/180867103.db2.gz NKDDGTNBPFFVHO-UHFFFAOYSA-N 0 0 304.777 3.719 50 0 DHAARN CCCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000001770732 180895481 /nfs/dbraw/zinc/89/54/81/180895481.db2.gz FEHNFQRVYAUGBC-UHFFFAOYSA-N 0 0 311.381 3.825 50 0 DHAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H](C)O ZINC000001926781 180902031 /nfs/dbraw/zinc/90/20/31/180902031.db2.gz GTDKWPLRLQCLDV-OAHLLOKOSA-N 0 0 310.397 3.867 50 0 DHAARN Cc1ccc(OCCCn2c(CO)nc3ccccc32)c(C)c1 ZINC000001926870 180902082 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CCn1cc(CN(C)C(=O)Nc2ccc(C(C)C)cc2)cn1 ZINC000028222071 182512372 /nfs/dbraw/zinc/51/23/72/182512372.db2.gz ZKNZEIGUBFTEKO-UHFFFAOYSA-N 0 0 300.406 3.690 50 0 DHAARN Cc1cc(NC(=O)NC2CCCCC2)n(-c2ccc(F)cc2)n1 ZINC000028304860 182519769 /nfs/dbraw/zinc/51/97/69/182519769.db2.gz QFZCJWWYKNGOTB-UHFFFAOYSA-N 0 0 316.380 3.774 50 0 DHAARN COc1ccc(OC[C@H](O)CSc2ccc(Cl)cc2)cc1 ZINC000028404734 182523265 /nfs/dbraw/zinc/52/32/65/182523265.db2.gz GAFVNCPVTYOKMV-ZDUSSCGKSA-N 0 0 324.829 3.881 50 0 DHAARN CCCCC[C@H](C)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000029472414 182566521 /nfs/dbraw/zinc/56/65/21/182566521.db2.gz ZBKGRDKOSRWRJP-JSGCOSHPSA-N 0 0 309.837 3.976 50 0 DHAARN CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000029568773 182570338 /nfs/dbraw/zinc/57/03/38/182570338.db2.gz PFMDTYCVXOWAIV-HNNXBMFYSA-N 0 0 318.417 3.587 50 0 DHAARN CCCc1cc(=O)n2nc(-c3sccc3-n3cccc3)cc2[nH]1 ZINC000100312189 193798635 /nfs/dbraw/zinc/79/86/35/193798635.db2.gz KEXCHBJGWYFOCG-UHFFFAOYSA-N 0 0 324.409 3.907 50 0 DHAARN C[C@@H](OCC(F)(F)F)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000031705830 182620749 /nfs/dbraw/zinc/62/07/49/182620749.db2.gz QESXKBVIOLIDSQ-VHSXEESVSA-N 0 0 315.291 3.577 50 0 DHAARN Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000100559946 193801422 /nfs/dbraw/zinc/80/14/22/193801422.db2.gz WHLNIWNLLGHNBJ-AWEZNQCLSA-N 0 0 313.784 3.771 50 0 DHAARN Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)sc1C ZINC000032469309 182643857 /nfs/dbraw/zinc/64/38/57/182643857.db2.gz FVUIGFHWFNTQMP-UHFFFAOYSA-N 0 0 311.410 3.862 50 0 DHAARN Cc1cc(S(=O)(=O)Oc2ccc(Cl)cc2)ccc1F ZINC000032602171 182649698 /nfs/dbraw/zinc/64/96/98/182649698.db2.gz XXFRFNXNUPVJLV-UHFFFAOYSA-N 0 0 300.738 3.555 50 0 DHAARN CC(=O)Oc1ccc2c(=O)c(-c3ccccc3F)coc2c1C ZINC000032634064 182652400 /nfs/dbraw/zinc/65/24/00/182652400.db2.gz DBTGZSLTZWRNQB-UHFFFAOYSA-N 0 0 312.296 3.833 50 0 DHAARN CCC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1 ZINC000032738447 182657625 /nfs/dbraw/zinc/65/76/25/182657625.db2.gz GPWSBZCDGBAVAX-IBGZPJMESA-N 0 0 324.424 3.594 50 0 DHAARN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000032738309 182657763 /nfs/dbraw/zinc/65/77/63/182657763.db2.gz DXDXNAPNMUTYKY-KBPBESRZSA-N 0 0 323.396 3.516 50 0 DHAARN Cn1c2ccccc2s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000100811263 193804499 /nfs/dbraw/zinc/80/44/99/193804499.db2.gz AJMFTPXHITWYTH-ICFOKQHNSA-N 0 0 302.786 3.634 50 0 DHAARN Cc1cc(C(=O)N2CCCC2)c2cc(Br)ccc2n1 ZINC000032961449 182684639 /nfs/dbraw/zinc/68/46/39/182684639.db2.gz WVTLDCSTZKQZII-UHFFFAOYSA-N 0 0 319.202 3.542 50 0 DHAARN Cn1c2c(cccc2F)s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000100909171 193806058 /nfs/dbraw/zinc/80/60/58/193806058.db2.gz LHOFZWFPNPDKDC-SDXDJHTJSA-N 0 0 320.776 3.773 50 0 DHAARN CC(=O)Nc1nc2cc(NC(=O)C3CCCCC3)ccc2s1 ZINC000033020074 182688712 /nfs/dbraw/zinc/68/87/12/182688712.db2.gz VVRHOTKSHSCGPQ-UHFFFAOYSA-N 0 0 317.414 3.774 50 0 DHAARN C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccccc1 ZINC000032931207 182682947 /nfs/dbraw/zinc/68/29/47/182682947.db2.gz FYEHKMMURIQVFX-LBPRGKRZSA-N 0 0 320.795 3.734 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000033146356 182694824 /nfs/dbraw/zinc/69/48/24/182694824.db2.gz DJIXOOVSHBOLFS-MRXNPFEDSA-N 0 0 314.772 3.780 50 0 DHAARN Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)c(Cl)c1 ZINC000033250598 182697686 /nfs/dbraw/zinc/69/76/86/182697686.db2.gz POGLGRKWZRQVSM-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN CN1c2ccc(Br)cc2[C@@H](Cc2ccccc2)C1=O ZINC000101014630 193806468 /nfs/dbraw/zinc/80/64/68/193806468.db2.gz YLDDSQXKSSOSDV-CQSZACIVSA-N 0 0 316.198 3.752 50 0 DHAARN Cc1ccc(C)c(NC(=O)COc2nc(C)nc3ccccc32)c1 ZINC000033287276 182700677 /nfs/dbraw/zinc/70/06/77/182700677.db2.gz RXGQEHHQVBBWIR-UHFFFAOYSA-N 0 0 321.380 3.573 50 0 DHAARN Cc1nc2cc3c(cc2n1CCOc1ccccc1)OCCCO3 ZINC000101152472 193809103 /nfs/dbraw/zinc/80/91/03/193809103.db2.gz BGDBOVFBENWUAE-UHFFFAOYSA-N 0 0 324.380 3.585 50 0 DHAARN O=C(/C=C\c1ccc2c(c1)OCO2)OCc1cccc(Cl)c1 ZINC000033773299 182722051 /nfs/dbraw/zinc/72/20/51/182722051.db2.gz XHYYJMBSKIFTFM-ALCCZGGFSA-N 0 0 316.740 3.825 50 0 DHAARN COc1ccc(Cc2nnc(/C=C\c3ccccc3OC)o2)cc1 ZINC000033788526 182722743 /nfs/dbraw/zinc/72/27/43/182722743.db2.gz JDRKHYJGEQWCDA-XFXZXTDPSA-N 0 0 322.364 3.848 50 0 DHAARN Cc1ccccc1C(=O)c1ccc(I)cc1 ZINC000034976621 182745883 /nfs/dbraw/zinc/74/58/83/182745883.db2.gz FSXKCMMRABVKHA-UHFFFAOYSA-N 0 0 322.145 3.831 50 0 DHAARN CCOc1ccccc1NC(=O)c1cccn1-c1cccnc1 ZINC000035396922 182774048 /nfs/dbraw/zinc/77/40/48/182774048.db2.gz STTTUYLTTXOZSD-UHFFFAOYSA-N 0 0 307.353 3.523 50 0 DHAARN CC(C)CC(=O)N[C@H](C)c1nc(-c2cccc(Cl)c2)no1 ZINC000035522263 182779163 /nfs/dbraw/zinc/77/91/63/182779163.db2.gz WSTJDIHKADSRQZ-SNVBAGLBSA-N 0 0 307.781 3.613 50 0 DHAARN O=C(CCc1ccco1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000036093698 182798558 /nfs/dbraw/zinc/79/85/58/182798558.db2.gz WVFGUIIFAMACBO-UHFFFAOYSA-N 0 0 301.430 3.935 50 0 DHAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000036620910 182830057 /nfs/dbraw/zinc/83/00/57/182830057.db2.gz OVJJXLUVUVDRCJ-KRWDZBQOSA-N 0 0 301.411 3.521 50 0 DHAARN COc1ccc(-c2cc(N3CCc4ccccc43)ncn2)cc1 ZINC000036708967 182836147 /nfs/dbraw/zinc/83/61/47/182836147.db2.gz FYHTVCUKLMVBIT-UHFFFAOYSA-N 0 0 303.365 3.846 50 0 DHAARN CC[C@@H](NC(=O)Cc1c(C)noc1C)c1ccc(Cl)cc1 ZINC000037136430 182869302 /nfs/dbraw/zinc/86/93/02/182869302.db2.gz DFCGYUYNDAPIGY-OAHLLOKOSA-N 0 0 306.793 3.755 50 0 DHAARN CC[C@H](NC(=O)Cc1c(C)noc1C)c1ccc(Cl)cc1 ZINC000037136428 182869415 /nfs/dbraw/zinc/86/94/15/182869415.db2.gz DFCGYUYNDAPIGY-HNNXBMFYSA-N 0 0 306.793 3.755 50 0 DHAARN Cc1cnn(C)c1C(=O)Nc1nc2ccc3ccccc3c2s1 ZINC000038506293 183000332 /nfs/dbraw/zinc/00/03/32/183000332.db2.gz SUZNXPKAAKZYAG-UHFFFAOYSA-N 0 0 322.393 3.744 50 0 DHAARN COc1c(Br)cc(Br)c2cccnc21 ZINC000038537186 183001697 /nfs/dbraw/zinc/00/16/97/183001697.db2.gz IJANXCJVULGZRF-UHFFFAOYSA-N 0 0 316.980 3.768 50 0 DHAARN C[C@H](Cc1ccco1)NC(=O)C1(c2cccs2)CCCC1 ZINC000038565702 183002088 /nfs/dbraw/zinc/00/20/88/183002088.db2.gz XZXODKAYTOBYST-CYBMUJFWSA-N 0 0 303.427 3.900 50 0 DHAARN O=C(CCC1CCCC1)NCC1(c2ccccc2)CCOCC1 ZINC000038591733 183003599 /nfs/dbraw/zinc/00/35/99/183003599.db2.gz WBLKMQVAIDUKQP-UHFFFAOYSA-N 0 0 315.457 3.821 50 0 DHAARN COc1cccc(NC(=O)NCC2(c3cccs3)CC2)c1 ZINC000038593154 183003821 /nfs/dbraw/zinc/00/38/21/183003821.db2.gz DIHYLCIWMQSYMU-UHFFFAOYSA-N 0 0 302.399 3.610 50 0 DHAARN O=C(Nc1ccccc1Cl)c1ccc(Cn2ccnc2)cc1 ZINC000038833793 183011410 /nfs/dbraw/zinc/01/14/10/183011410.db2.gz MYNZINXFAPRIMS-UHFFFAOYSA-N 0 0 311.772 3.837 50 0 DHAARN COc1ccc(CCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000039978504 183026743 /nfs/dbraw/zinc/02/67/43/183026743.db2.gz SVFSCJZZNYKOST-UHFFFAOYSA-N 0 0 313.401 3.578 50 0 DHAARN CCOc1ccccc1CCC(=O)Nc1ccc(Cl)cn1 ZINC000040007589 183027530 /nfs/dbraw/zinc/02/75/30/183027530.db2.gz LVAXUQZDJPLBSH-UHFFFAOYSA-N 0 0 304.777 3.705 50 0 DHAARN COc1cccc(-n2ccnc2SCc2csc(C)n2)c1 ZINC000040024322 183028115 /nfs/dbraw/zinc/02/81/15/183028115.db2.gz KTESYHBXMYBZNL-UHFFFAOYSA-N 0 0 317.439 3.938 50 0 DHAARN O=C(/C=C/c1ccccc1Br)NC(C1CC1)C1CC1 ZINC000040040643 183028608 /nfs/dbraw/zinc/02/86/08/183028608.db2.gz IWLCEQBRPRELAK-MDZDMXLPSA-N 0 0 320.230 3.767 50 0 DHAARN CC(=O)Nc1ccc2nc(NC(=O)C[C@H]3C=CCC3)sc2c1 ZINC000040040476 183028853 /nfs/dbraw/zinc/02/88/53/183028853.db2.gz BDIYVMVBIYELSV-NSHDSACASA-N 0 0 315.398 3.550 50 0 DHAARN C[C@@H](OCCCNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000040050735 183030316 /nfs/dbraw/zinc/03/03/16/183030316.db2.gz VKDNLKSRZSGHGV-OAHLLOKOSA-N 0 0 315.388 3.652 50 0 DHAARN CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1C ZINC000039930463 183023022 /nfs/dbraw/zinc/02/30/22/183023022.db2.gz DEUUEKDDQMHUNC-UHFFFAOYSA-N 0 0 309.365 3.934 50 0 DHAARN Cc1cccc(OCCNC(=O)NC2(c3ccccc3)CCC2)c1 ZINC000040150021 183040261 /nfs/dbraw/zinc/04/02/61/183040261.db2.gz PDOUGKSSHWENSX-UHFFFAOYSA-N 0 0 324.424 3.752 50 0 DHAARN C[C@@H]1C[C@H](C)N(C(=O)CCc2ccccc2Cl)c2ccnn21 ZINC000040146280 183040278 /nfs/dbraw/zinc/04/02/78/183040278.db2.gz HTSXPEJELGPKHI-QWHCGFSZSA-N 0 0 317.820 3.856 50 0 DHAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@@H](C)O)c1 ZINC000040224857 183047344 /nfs/dbraw/zinc/04/73/44/183047344.db2.gz MEDLDUJXJMJXRX-OAHLLOKOSA-N 0 0 310.397 3.785 50 0 DHAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCCCC1 ZINC000040086466 183032233 /nfs/dbraw/zinc/03/22/33/183032233.db2.gz SXZKCKONWNQOKE-UHFFFAOYSA-N 0 0 323.440 3.903 50 0 DHAARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H]1CC=CCC1 ZINC000040108452 183036088 /nfs/dbraw/zinc/03/60/88/183036088.db2.gz MYWCYOAEQYMVED-JSGCOSHPSA-N 0 0 322.246 3.853 50 0 DHAARN Cc1ccc(/C=C/C(=O)NCc2ccc(-n3cccn3)cc2)s1 ZINC000040106976 183036579 /nfs/dbraw/zinc/03/65/79/183036579.db2.gz NOWCFJCSUQJPTF-MDZDMXLPSA-N 0 0 323.421 3.572 50 0 DHAARN Cc1c(C(=O)NCc2cccs2)oc2c1C(=O)CC(C)(C)C2 ZINC000040114778 183037096 /nfs/dbraw/zinc/03/70/96/183037096.db2.gz MZTNKGBWGYRMJS-UHFFFAOYSA-N 0 0 317.410 3.735 50 0 DHAARN CC(C)Oc1ccccc1NC(=O)NCCc1cccs1 ZINC000040121106 183037485 /nfs/dbraw/zinc/03/74/85/183037485.db2.gz PNLUPBRAZCNBGQ-UHFFFAOYSA-N 0 0 304.415 3.900 50 0 DHAARN Cc1c(C(=O)NCc2ccc(Cl)s2)oc2c1C(=O)CCC2 ZINC000040133076 183038359 /nfs/dbraw/zinc/03/83/59/183038359.db2.gz BBVPTVYOFBQTJA-UHFFFAOYSA-N 0 0 323.801 3.752 50 0 DHAARN Cc1c(C(=O)N[C@H](C)c2ccccc2F)oc2c1C(=O)CCC2 ZINC000040130351 183038379 /nfs/dbraw/zinc/03/83/79/183038379.db2.gz YPLSKUWOAPBQOI-LLVKDONJSA-N 0 0 315.344 3.737 50 0 DHAARN Cc1ccc(OCCCCNC(=O)CCc2ccsc2)cc1 ZINC000040122454 183038663 /nfs/dbraw/zinc/03/86/63/183038663.db2.gz RCZQGVDBCPBRRH-UHFFFAOYSA-N 0 0 317.454 3.965 50 0 DHAARN COc1cc(OC)cc(C(=O)N2CCCCc3ccccc32)c1 ZINC000040133978 183039337 /nfs/dbraw/zinc/03/93/37/183039337.db2.gz MXPHMDIAKAQTIK-UHFFFAOYSA-N 0 0 311.381 3.687 50 0 DHAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000040135196 183039447 /nfs/dbraw/zinc/03/94/47/183039447.db2.gz RTBWVWHQKHKTTF-BETUJISGSA-N 0 0 303.450 3.634 50 0 DHAARN O=C(NC1CCCCCC1)c1snnc1-c1ccccc1 ZINC000040286543 183051133 /nfs/dbraw/zinc/05/11/33/183051133.db2.gz HGHAXKXQVZRCSS-UHFFFAOYSA-N 0 0 301.415 3.658 50 0 DHAARN Cc1nc2cc(NC(=O)c3cc4ccccc4n3C)ccc2[nH]1 ZINC000040286698 183051323 /nfs/dbraw/zinc/05/13/23/183051323.db2.gz FVBYWBDQLABATG-UHFFFAOYSA-N 0 0 304.353 3.615 50 0 DHAARN Cc1ccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000040478378 183076196 /nfs/dbraw/zinc/07/61/96/183076196.db2.gz MVQJGIQAXOWKKS-UHFFFAOYSA-N 0 0 309.344 3.801 50 0 DHAARN CCc1cc(=O)n2c3ccccc3n(Cc3ccccc3C)c2n1 ZINC000040484643 183077996 /nfs/dbraw/zinc/07/79/96/183077996.db2.gz HTQSTRGWWWLUIS-UHFFFAOYSA-N 0 0 317.392 3.568 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCCC2)cc1OC ZINC000040488844 183078958 /nfs/dbraw/zinc/07/89/58/183078958.db2.gz MQMUNFKXAVZPPA-HNNXBMFYSA-N 0 0 303.402 3.558 50 0 DHAARN Cc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1F ZINC000040515686 183088735 /nfs/dbraw/zinc/08/87/35/183088735.db2.gz ZVQPNJPSXMRFMI-UHFFFAOYSA-N 0 0 305.353 3.602 50 0 DHAARN Fc1ccc(OCCSc2nnc(-c3ccco3)o2)cc1 ZINC000040456848 183069111 /nfs/dbraw/zinc/06/91/11/183069111.db2.gz OMJFKCTUVOSNSZ-UHFFFAOYSA-N 0 0 306.318 3.640 50 0 DHAARN CN(c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000040556392 183102193 /nfs/dbraw/zinc/10/21/93/183102193.db2.gz HRPHUGZAWMQGHA-UHFFFAOYSA-N 0 0 309.413 3.819 50 0 DHAARN CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 ZINC000040714543 183122359 /nfs/dbraw/zinc/12/23/59/183122359.db2.gz RHLWMKPQZKEITH-NSHDSACASA-N 0 0 305.403 3.622 50 0 DHAARN Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl ZINC000041091868 183164551 /nfs/dbraw/zinc/16/45/51/183164551.db2.gz CJHRRQYVKVTQSC-YGRLFVJLSA-N 0 0 301.839 3.505 50 0 DHAARN c1ccc2c(c1)nc(Nc1ccc3c(c1)OCO3)nc2NC1CC1 ZINC000041149690 183177460 /nfs/dbraw/zinc/17/74/60/183177460.db2.gz LYHKVIJQMPQQCR-UHFFFAOYSA-N 0 0 320.352 3.676 50 0 DHAARN CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 ZINC000041123666 183168370 /nfs/dbraw/zinc/16/83/70/183168370.db2.gz VWJJONLBRBCKMS-YPMHNXCESA-N 0 0 317.389 3.504 50 0 DHAARN CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000041123393 183168550 /nfs/dbraw/zinc/16/85/50/183168550.db2.gz OZEMYEUYJLZZHN-GXTWGEPZSA-N 0 0 305.422 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CC[C@@](C)(O)CNc1ncnc2sc(-c3ccccc3)cc21 ZINC000060349533 184146727 /nfs/dbraw/zinc/14/67/27/184146727.db2.gz HKGGAYFFQPLKNY-QGZVFWFLSA-N 0 0 313.426 3.931 50 0 DHAARN CC(C)c1c(C(=O)N(C)C2CC2)cnn1-c1cccc(Cl)c1 ZINC000060372688 184147731 /nfs/dbraw/zinc/14/77/31/184147731.db2.gz LAZKMIMISUESIK-UHFFFAOYSA-N 0 0 317.820 3.884 50 0 DHAARN Clc1cc(Br)cc(I)c1 ZINC000059269066 184136152 /nfs/dbraw/zinc/13/61/52/184136152.db2.gz RSGRRCWDCXLEHS-UHFFFAOYSA-N 0 0 317.351 3.707 50 0 DHAARN Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)n1Cc1cccs1 ZINC000060968737 184159058 /nfs/dbraw/zinc/15/90/58/184159058.db2.gz SZFOLHBYWFUMHD-LBPRGKRZSA-N 0 0 302.443 3.743 50 0 DHAARN Cn1nc2c(c1NC(=O)c1ccc(C(C)(C)C)cc1)CSC2 ZINC000061721698 184185612 /nfs/dbraw/zinc/18/56/12/184185612.db2.gz HLNALKRYECBESM-UHFFFAOYSA-N 0 0 315.442 3.717 50 0 DHAARN Cc1noc2nc(C)cc(C(=O)N[C@H](C)CCc3ccccc3)c12 ZINC000061722004 184185719 /nfs/dbraw/zinc/18/57/19/184185719.db2.gz RNWGEKPOZWAYRG-GFCCVEGCSA-N 0 0 323.396 3.591 50 0 DHAARN CCOC(=O)N=c1[nH]c2c(cc(Br)cc2C)s1 ZINC000061992277 184200316 /nfs/dbraw/zinc/20/03/16/184200316.db2.gz ZQVZUAHKSOXNGS-UHFFFAOYSA-N 0 0 315.192 3.936 50 0 DHAARN COc1ccccc1CC(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000064579828 184300712 /nfs/dbraw/zinc/30/07/12/184300712.db2.gz ADWWYENANLQZOQ-GOSISDBHSA-N 0 0 309.409 3.910 50 0 DHAARN Cc1nc2nc3c(c(Nc4ccc(C)c(C)c4)n2n1)CCCC3 ZINC000064449776 184297602 /nfs/dbraw/zinc/29/76/02/184297602.db2.gz SHDQUTQNNQLSEV-UHFFFAOYSA-N 0 0 307.401 3.672 50 0 DHAARN CC[C@]1(c2ccccc2)OC(c2ccc(F)cc2)=NN1C(C)=O ZINC000064819955 184303771 /nfs/dbraw/zinc/30/37/71/184303771.db2.gz XBXTXEILSGMIJM-GOSISDBHSA-N 0 0 312.344 3.629 50 0 DHAARN CCCn1nnc2cc(-c3noc(-c4cccc(F)c4)n3)ccc21 ZINC000064980019 184307151 /nfs/dbraw/zinc/30/71/51/184307151.db2.gz PYPXVDXEXUVWCI-UHFFFAOYSA-N 0 0 323.331 3.697 50 0 DHAARN Cc1nc(-c2ccc(-c3noc(-c4ccnn4C)n3)cc2)cs1 ZINC000065032294 184308967 /nfs/dbraw/zinc/30/89/67/184308967.db2.gz UWULTQULDCWPIF-UHFFFAOYSA-N 0 0 323.381 3.569 50 0 DHAARN Cc1nc2cc(-c3noc(-c4ccc(Cl)nc4)n3)ccc2o1 ZINC000065149654 184311656 /nfs/dbraw/zinc/31/16/56/184311656.db2.gz QIMJAGIAHVYXIJ-UHFFFAOYSA-N 0 0 312.716 3.902 50 0 DHAARN CCN(Cc1ccccc1)C(=O)Cc1cn(CC)c2ncccc12 ZINC000065155825 184312812 /nfs/dbraw/zinc/31/28/12/184312812.db2.gz VXHCWELMRNETMO-UHFFFAOYSA-N 0 0 321.424 3.647 50 0 DHAARN O=C(NCc1cccnc1-c1ccccc1)c1cc(F)cc(F)c1 ZINC000065171407 184313565 /nfs/dbraw/zinc/31/35/65/184313565.db2.gz VTZGNZICXCAONK-UHFFFAOYSA-N 0 0 324.330 3.957 50 0 DHAARN COc1ccccc1C(=O)NCc1cccnc1-c1ccccc1 ZINC000065171383 184313628 /nfs/dbraw/zinc/31/36/28/184313628.db2.gz JRUCCERMAXVAJT-UHFFFAOYSA-N 0 0 318.376 3.687 50 0 biogenic DHAARN O=C(Cc1cccs1)NCc1cccnc1-c1ccccc1 ZINC000065171388 184313743 /nfs/dbraw/zinc/31/37/43/184313743.db2.gz RWQPEGNOHKDDCA-UHFFFAOYSA-N 0 0 308.406 3.669 50 0 DHAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)ns2)o1 ZINC000065233087 184316724 /nfs/dbraw/zinc/31/67/24/184316724.db2.gz KWQOFPSQKHIKBK-UHFFFAOYSA-N 0 0 316.357 3.781 50 0 DHAARN Fc1ccc(-c2nnc(Cc3nc(-c4ccccc4)no3)o2)cc1 ZINC000065185362 184314098 /nfs/dbraw/zinc/31/40/98/184314098.db2.gz WMUHDTCLMGPCFU-UHFFFAOYSA-N 0 0 322.299 3.517 50 0 DHAARN Cc1ccc(CNC(=O)CCc2conc2-c2ccc(C)cc2)o1 ZINC000065213373 184314787 /nfs/dbraw/zinc/31/47/87/184314787.db2.gz SLOOOILLQQDDMO-UHFFFAOYSA-N 0 0 324.380 3.800 50 0 DHAARN CCn1nc(CNC(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000065219625 184314990 /nfs/dbraw/zinc/31/49/90/184314990.db2.gz LDHUQTPSKKSIGE-UHFFFAOYSA-N 0 0 313.788 3.640 50 0 DHAARN C[C@H](CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000064580941 184301180 /nfs/dbraw/zinc/30/11/80/184301180.db2.gz FCTPSEIKBFRVGO-CQSZACIVSA-N 0 0 323.371 3.545 50 0 DHAARN Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000064667254 184302191 /nfs/dbraw/zinc/30/21/91/184302191.db2.gz XBSWHQJXWWCOSY-INIZCTEOSA-N 0 0 321.355 3.794 50 0 DHAARN O=c1c2nc(-c3ccccc3)cn2ccn1-c1cccc(Cl)c1 ZINC000064675361 184302324 /nfs/dbraw/zinc/30/23/24/184302324.db2.gz ZFQQCRYXVBUVDX-UHFFFAOYSA-N 0 0 321.767 3.806 50 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Cn1nc(-c2cccc3c2Oc2ccccc2S3)ccc1=O ZINC000426392647 257252270 /nfs/dbraw/zinc/25/22/70/257252270.db2.gz BWKAOLDFDWBMLF-UHFFFAOYSA-N 0 0 308.362 3.704 50 0 DHAARN CCOc1ccc(-c2ccc(C(=O)NCCCOC)cc2)cc1 ZINC000426380190 257252284 /nfs/dbraw/zinc/25/22/84/257252284.db2.gz YTEVKMNLOHKHCZ-UHFFFAOYSA-N 0 0 313.397 3.519 50 0 DHAARN Cc1c(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)ccn1C ZINC000426377996 257252439 /nfs/dbraw/zinc/25/24/39/257252439.db2.gz NJCBWUASJLJSKC-AWEZNQCLSA-N 0 0 302.805 3.617 50 0 DHAARN Cc1cc(OC(F)F)ccc1NC(=O)N1CCC(F)(F)CC1 ZINC000426373876 257253160 /nfs/dbraw/zinc/25/31/60/257253160.db2.gz WRSIQRXLLMNMDB-UHFFFAOYSA-N 0 0 320.286 3.859 50 0 DHAARN Cc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)sc1C ZINC000426369135 257253277 /nfs/dbraw/zinc/25/32/77/257253277.db2.gz GKPWPIJZECUONW-NSHDSACASA-N 0 0 318.446 3.563 50 0 DHAARN O=C(CCCc1c[nH]c2ccccc12)NCCOc1ccccc1 ZINC000002170515 257254248 /nfs/dbraw/zinc/25/42/48/257254248.db2.gz VVACHYPCUDQISI-UHFFFAOYSA-N 0 0 322.408 3.686 50 0 DHAARN COC(=O)c1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 ZINC000408518891 257255225 /nfs/dbraw/zinc/25/52/25/257255225.db2.gz ICTFVQWIWORNHK-UHFFFAOYSA-N 0 0 318.398 3.581 50 0 DHAARN CC(C)(CO)[C@H](NCc1c(F)cccc1Cl)c1cccnc1 ZINC000408518981 257255535 /nfs/dbraw/zinc/25/55/35/257255535.db2.gz OZTVYBIDWARUQC-MRXNPFEDSA-N 0 0 322.811 3.724 50 0 DHAARN O=C(Cc1ccccc1C(F)(F)F)NC1CCC(F)(F)CC1 ZINC000408513716 257256161 /nfs/dbraw/zinc/25/61/61/257256161.db2.gz SONBZKSSXQDMJH-UHFFFAOYSA-N 0 0 321.289 3.942 50 0 DHAARN C=Cn1cc(CNc2ccc(-c3nc(C4CC4)no3)cc2C)cn1 ZINC000408514787 257256234 /nfs/dbraw/zinc/25/62/34/257256234.db2.gz WSGVKYIQDKGCDR-UHFFFAOYSA-N 0 0 321.384 3.832 50 0 DHAARN CC(C)n1ncnc1CSc1ncc(-c2ccc(F)cc2)o1 ZINC000278792804 257257598 /nfs/dbraw/zinc/25/75/98/257257598.db2.gz VGMMAZHSCSMMMA-UHFFFAOYSA-N 0 0 318.377 3.945 50 0 DHAARN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000238950830 257260159 /nfs/dbraw/zinc/26/01/59/257260159.db2.gz ZTBMOOKXITVSAM-CPLUKWAASA-N 0 0 309.409 3.805 50 0 DHAARN Cc1cccc2sc(NC(=O)c3ccc4[nH]cnc4c3)nc21 ZINC000028835563 257269438 /nfs/dbraw/zinc/26/94/38/257269438.db2.gz LZVAADDDGYLTBH-UHFFFAOYSA-N 0 0 308.366 3.733 50 0 DHAARN CC[C@@H](OC)C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000071839127 184863625 /nfs/dbraw/zinc/86/36/25/184863625.db2.gz RVJFSNHRQCPEGV-ZIAGYGMSSA-N 0 0 318.442 3.775 50 0 DHAARN CC[C@@H](C)[C@H](C)NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000071862877 184874000 /nfs/dbraw/zinc/87/40/00/184874000.db2.gz IVHBKWBGKOECSX-MNOVXSKESA-N 0 0 306.431 3.805 50 0 DHAARN Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)c1 ZINC000071865651 184875425 /nfs/dbraw/zinc/87/54/25/184875425.db2.gz YJHWUCKGWGEATE-INIZCTEOSA-N 0 0 323.396 3.633 50 0 DHAARN Fc1ccc(Br)c(CSc2nncs2)c1 ZINC000069628925 184829183 /nfs/dbraw/zinc/82/91/83/184829183.db2.gz YLRAGUVLEAGUAY-UHFFFAOYSA-N 0 0 305.197 3.732 50 0 DHAARN Cc1nnc(SC[C@@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000071948557 184911422 /nfs/dbraw/zinc/91/14/22/184911422.db2.gz PNFPPOOJKKBPGX-SNVBAGLBSA-N 0 0 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C[C@@H]1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000000613910 563269420 /nfs/dbraw/zinc/26/94/20/563269420.db2.gz FMMGDKQSWFYCPM-HZPDHXFCSA-N 0 0 309.409 3.532 50 0 DHAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000000613162 563269452 /nfs/dbraw/zinc/26/94/52/563269452.db2.gz MMWTWRVELKREIG-KRWDZBQOSA-N 0 0 300.308 3.662 50 0 DHAARN Cc1ccc(NC(=O)C[C@H]2COc3ccccc3O2)cc1Cl ZINC000000618514 563270465 /nfs/dbraw/zinc/27/04/65/563270465.db2.gz YKVNWOQRTGVUNE-ZDUSSCGKSA-N 0 0 317.772 3.817 50 0 DHAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000000619512 563271033 /nfs/dbraw/zinc/27/10/33/563271033.db2.gz ADNOHYKLEDQPQM-UHFFFAOYSA-N 0 0 317.414 3.770 50 0 DHAARN CCOc1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000000619610 563271138 /nfs/dbraw/zinc/27/11/38/563271138.db2.gz NFCHIEMHEMRJDZ-RBUKOAKNSA-N 0 0 315.413 3.809 50 0 DHAARN C[C@@H](CC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1 ZINC000000860343 563272840 /nfs/dbraw/zinc/27/28/40/563272840.db2.gz FXVNHEXAHBWVSB-NSHDSACASA-N 0 0 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CC(C)CC(=O)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl ZINC000003124004 563322658 /nfs/dbraw/zinc/32/26/58/563322658.db2.gz PTXZNZLTBWRUNZ-LBPRGKRZSA-N 0 0 324.635 3.924 50 0 DHAARN Cc1noc([C@H](C)[S@](=O)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000071888578 563293264 /nfs/dbraw/zinc/29/32/64/563293264.db2.gz HMEAGBAMGLPNEV-MQJDWESPSA-N 0 0 306.431 3.685 50 0 DHAARN CCCOC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1 ZINC000001771916 563295134 /nfs/dbraw/zinc/29/51/34/563295134.db2.gz MKEPKHSJEFBBLX-UHFFFAOYSA-N 0 0 313.353 3.514 50 0 DHAARN Cc1cc(OCC(=O)c2ccc(O)cc2O)ccc1C(C)C ZINC000001792409 563295818 /nfs/dbraw/zinc/29/58/18/563295818.db2.gz BZBLPIWJDLOVQI-UHFFFAOYSA-N 0 0 300.354 3.791 50 0 DHAARN CCCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000001778446 563295990 /nfs/dbraw/zinc/29/59/90/563295990.db2.gz MYSUMHSYFKIRKT-UHFFFAOYSA-N 0 0 314.410 3.934 50 0 DHAARN Cc1cccc(Nc2ncnc3c2cnn3Cc2ccccc2)c1 ZINC000001824939 563296245 /nfs/dbraw/zinc/29/62/45/563296245.db2.gz ZMTDRKIXLMJGLV-UHFFFAOYSA-N 0 0 315.380 3.927 50 0 DHAARN Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)cc2)c1 ZINC000001904911 563297131 /nfs/dbraw/zinc/29/71/31/563297131.db2.gz IWWSPADHIUQBBL-UHFFFAOYSA-N 0 0 303.789 3.766 50 0 DHAARN CC(C)Nc1ccccc1C(=O)N1CCCC2(CCOCC2)C1 ZINC000584903453 563298398 /nfs/dbraw/zinc/29/83/98/563298398.db2.gz XQYGVGIEWZPUCH-UHFFFAOYSA-N 0 0 316.445 3.540 50 0 DHAARN CCCC[C@H](CC)C(=O)Nc1sc(C)c(CC)c1C(N)=O ZINC000002115695 563300311 /nfs/dbraw/zinc/30/03/11/563300311.db2.gz PVNWCWMMKQYAKO-NSHDSACASA-N 0 0 310.463 3.873 50 0 DHAARN COCCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000002479353 563303669 /nfs/dbraw/zinc/30/36/69/563303669.db2.gz LGULSDVPZYEAIA-UHFFFAOYSA-N 0 0 300.383 3.645 50 0 DHAARN c1ccc2[nH]c(CCSCCc3nc4ccccc4[nH]3)nc2c1 ZINC000002461387 563303872 /nfs/dbraw/zinc/30/38/72/563303872.db2.gz UMAZYQXYRRZXQK-UHFFFAOYSA-N 0 0 322.437 3.958 50 0 DHAARN c1ccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)cc1 ZINC000002488473 563304562 /nfs/dbraw/zinc/30/45/62/563304562.db2.gz CGOZLIVIQCRWAG-UHFFFAOYSA-N 0 0 308.366 3.905 50 0 DHAARN CCc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1 ZINC000002504196 563304653 /nfs/dbraw/zinc/30/46/53/563304653.db2.gz MNTVDRZFXXQEPQ-UHFFFAOYSA-N 0 0 309.417 3.554 50 0 DHAARN O=C(c1cccc(CN2CCC2)c1)c1ccc(F)cc1Cl ZINC000002515136 563306250 /nfs/dbraw/zinc/30/62/50/563306250.db2.gz BACCFZDVJKKPCI-UHFFFAOYSA-N 0 0 303.764 3.916 50 0 DHAARN Cc1ccccc1C(=O)c1cnn(-c2ccc(Cl)cc2)c1N ZINC000002522152 563307603 /nfs/dbraw/zinc/30/76/03/563307603.db2.gz XEXLBKCHWXUDTJ-UHFFFAOYSA-N 0 0 311.772 3.647 50 0 DHAARN O=C(NC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000002577173 563309834 /nfs/dbraw/zinc/30/98/34/563309834.db2.gz GTWNADSAVQUSMU-UHFFFAOYSA-N 0 0 308.259 3.667 50 0 DHAARN Cc1nn(Cc2cccc3ccccc32)c(N2CCCC2)c1C=O ZINC000002650211 563311273 /nfs/dbraw/zinc/31/12/73/563311273.db2.gz OPDZHVNEIAFEDB-UHFFFAOYSA-N 0 0 319.408 3.806 50 0 DHAARN Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000002746454 563312479 /nfs/dbraw/zinc/31/24/79/563312479.db2.gz LRAZEGNVWQUBSN-NSHDSACASA-N 0 0 321.833 3.866 50 0 DHAARN CCOc1ccc(-c2nc(C(=O)NCC(C)C)cs2)c(F)c1 ZINC000034713246 563313808 /nfs/dbraw/zinc/31/38/08/563313808.db2.gz FZOINDMLSYUAFL-UHFFFAOYSA-N 0 0 322.405 3.734 50 0 DHAARN Cc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002837360 563314286 /nfs/dbraw/zinc/31/42/86/563314286.db2.gz XRQKQXBMHWZQKT-UHFFFAOYSA-N 0 0 301.214 3.943 50 0 DHAARN Cc1cc(OCC(=O)NCCCc2ccccc2)ccc1Cl ZINC000002824486 563314401 /nfs/dbraw/zinc/31/44/01/563314401.db2.gz JJYXSLZDPFDSAP-UHFFFAOYSA-N 0 0 317.816 3.776 50 0 DHAARN CSc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 ZINC000002872392 563316406 /nfs/dbraw/zinc/31/64/06/563316406.db2.gz IFQDNKZAPKTZLF-UHFFFAOYSA-N 0 0 311.472 3.577 50 0 DHAARN CSc1cccc(NC(=O)CSc2nc(C)cc(C)n2)c1 ZINC000002881924 563316736 /nfs/dbraw/zinc/31/67/36/563316736.db2.gz PIMGLEBOTCEXRH-UHFFFAOYSA-N 0 0 319.455 3.546 50 0 DHAARN CC(=O)Oc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000002881652 563317009 /nfs/dbraw/zinc/31/70/09/563317009.db2.gz PVGUCRVNKSEYTF-UHFFFAOYSA-N 0 0 309.365 3.743 50 0 DHAARN CCOc1cccc(OCCCOc2ccc(C=O)cc2)c1 ZINC000002984115 563318926 /nfs/dbraw/zinc/31/89/26/563318926.db2.gz YQJLXUKYBGMANT-UHFFFAOYSA-N 0 0 300.354 3.746 50 0 DHAARN CCOc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 ZINC000002986909 563319187 /nfs/dbraw/zinc/31/91/87/563319187.db2.gz KTDRPUIBNGFVHW-UHFFFAOYSA-N 0 0 312.774 3.506 50 0 DHAARN COc1cccc(OCCCOc2ccccc2C(C)=O)c1 ZINC000002985762 563319194 /nfs/dbraw/zinc/31/91/94/563319194.db2.gz RDGJDTLDFNTHFF-UHFFFAOYSA-N 0 0 300.354 3.746 50 0 DHAARN COc1cc(C)ccc1OCCCOc1ccc(C=O)cc1 ZINC000002985844 563319409 /nfs/dbraw/zinc/31/94/09/563319409.db2.gz LTLBTBITIKNINY-UHFFFAOYSA-N 0 0 300.354 3.664 50 0 DHAARN O=C1c2ccccc2C(=O)N1Nc1ccc(Cl)cc1Cl ZINC000003104629 563321728 /nfs/dbraw/zinc/32/17/28/563321728.db2.gz ROGGDKGWFBJEND-UHFFFAOYSA-N 0 0 307.136 3.617 50 0 DHAARN C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)nnc2C1 ZINC000003108028 563321894 /nfs/dbraw/zinc/32/18/94/563321894.db2.gz YECDWQJYOAIDMX-VIFPVBQESA-N 0 0 317.186 3.671 50 0 DHAARN O=C(OCc1ccc(Br)cc1)c1ccccc1F 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CCO[C@H](C)c1nc(CC(=O)OC[C@H]2CC=CCC2)cs1 ZINC000071910042 563333197 /nfs/dbraw/zinc/33/31/97/563333197.db2.gz ORNKNGHWVQPNGO-OLZOCXBDSA-N 0 0 309.431 3.683 50 0 DHAARN CCCCN(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000071909595 563333238 /nfs/dbraw/zinc/33/32/38/563333238.db2.gz FKOXABOQFPSMAR-QFIPXVFZSA-N 0 0 324.490 3.998 50 0 DHAARN COc1cc(NC(=O)Nc2cccc(C)c2C)cc(OC)c1 ZINC000006726782 563333650 /nfs/dbraw/zinc/33/36/50/563333650.db2.gz BMXYADRTHGQUEK-UHFFFAOYSA-N 0 0 300.358 3.965 50 0 DHAARN Cc1ccc(N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C)cc1 ZINC000006715634 563333877 /nfs/dbraw/zinc/33/38/77/563333877.db2.gz RKTQKCUBSGHNFS-INIZCTEOSA-N 0 0 315.461 3.548 50 0 DHAARN C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccncc1 ZINC000007183978 563336460 /nfs/dbraw/zinc/33/64/60/563336460.db2.gz CAHYCRQBJQPYMR-SNVBAGLBSA-N 0 0 309.196 3.808 50 0 DHAARN CO[C@H](C(=O)NCC1(c2ccccc2)CCC1)c1ccccc1 ZINC000071913161 563337872 /nfs/dbraw/zinc/33/78/72/563337872.db2.gz VDTYSNCQVASREI-SFHVURJKSA-N 0 0 309.409 3.612 50 0 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DHAARN Clc1cccc(COc2ccccc2CNc2nc[nH]n2)c1 ZINC000035287342 563452869 /nfs/dbraw/zinc/45/28/69/563452869.db2.gz BRQITPOUAGTGKT-UHFFFAOYSA-N 0 0 314.776 3.649 50 0 DHAARN Cc1ccc(OC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000032971910 563454129 /nfs/dbraw/zinc/45/41/29/563454129.db2.gz FQWUNHNMNOBMRW-UHFFFAOYSA-N 0 0 309.365 3.871 50 0 DHAARN O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccc(F)cc1 ZINC000036359286 563454823 /nfs/dbraw/zinc/45/48/23/563454823.db2.gz DYDQGDKKECDJAS-UHFFFAOYSA-N 0 0 323.249 3.973 50 0 DHAARN O=C(Nc1cc(Cl)ccc1Cl)NC1CCC(=O)CC1 ZINC000036880178 563457117 /nfs/dbraw/zinc/45/71/17/563457117.db2.gz SAPWKLZQDKMXPH-UHFFFAOYSA-N 0 0 301.173 3.627 50 0 DHAARN Cc1cc(Br)cc(N)c1NC(=O)OC(C)(C)C ZINC000036738961 563457214 /nfs/dbraw/zinc/45/72/14/563457214.db2.gz RQUWGLIIOSNENW-UHFFFAOYSA-N 0 0 301.184 3.687 50 0 DHAARN Cc1ccccc1-c1noc([C@H](C)NC(=O)c2ccccc2)n1 ZINC000013495383 563458830 /nfs/dbraw/zinc/45/88/30/563458830.db2.gz VNHBRRWBCYIIFF-ZDUSSCGKSA-N 0 0 307.353 3.536 50 0 DHAARN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000075132279 563459638 /nfs/dbraw/zinc/45/96/38/563459638.db2.gz DJFNFNUHIMNNOS-OAHLLOKOSA-N 0 0 310.401 3.515 50 0 DHAARN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(Cl)cn1 ZINC000175789345 563461589 /nfs/dbraw/zinc/46/15/89/563461589.db2.gz IIJYOCLGWJZJLF-DOMZBBRYSA-N 0 0 300.789 3.753 50 0 DHAARN Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1 ZINC000044676324 563462539 /nfs/dbraw/zinc/46/25/39/563462539.db2.gz PSYXHXOGGLBZMN-UHFFFAOYSA-N 0 0 310.304 3.597 50 0 DHAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)CCC1CCCC1 ZINC000071909699 563469140 /nfs/dbraw/zinc/46/91/40/563469140.db2.gz OXGUUXKXOJQWJW-NRFANRHFSA-N 0 0 307.459 3.782 50 0 DHAARN CC[C@H](C)[C@H](C)N(C(=O)Nc1cc(C(N)=O)ccc1C)C1CC1 ZINC000071921480 563469777 /nfs/dbraw/zinc/46/97/77/563469777.db2.gz HTLDBWAXGFCJDW-AAEUAGOBSA-N 0 0 317.433 3.525 50 0 DHAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccon2)c2cccc(C)c2n1 ZINC000055098816 563470959 /nfs/dbraw/zinc/47/09/59/563470959.db2.gz ITSYQCBPPICDMA-CYBMUJFWSA-N 0 0 309.369 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3.670 50 0 DHAARN COCCn1ncc2ccc(NC(=O)c3ccc(C)cc3C)cc21 ZINC000058158726 563478805 /nfs/dbraw/zinc/47/88/05/563478805.db2.gz BJNQGPXLWYZZKW-UHFFFAOYSA-N 0 0 323.396 3.552 50 0 DHAARN Cc1ccc(-c2nc(CCNC(=O)C3CCC3)cs2)cc1 ZINC000058343377 563478912 /nfs/dbraw/zinc/47/89/12/563478912.db2.gz MDYXTGIHRQKWLO-UHFFFAOYSA-N 0 0 300.427 3.577 50 0 DHAARN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cc(-c2ccccc2)on1 ZINC000175864605 563479636 /nfs/dbraw/zinc/47/96/36/563479636.db2.gz HYRFNZNNJXBJNS-KZULUSFZSA-N 0 0 320.348 3.845 50 0 DHAARN Cc1ccc(C[C@H](C)NC(=O)N(C)[C@H](C)c2ccncc2)s1 ZINC000096415589 563480920 /nfs/dbraw/zinc/48/09/20/563480920.db2.gz OEFDHVXMDRNHFK-GXTWGEPZSA-N 0 0 317.458 3.785 50 0 DHAARN Cc1csc([C@H](NC(=O)c2cccc(F)c2F)C2CC2)n1 ZINC000096425456 563481489 /nfs/dbraw/zinc/48/14/89/563481489.db2.gz SERDQPKBGQXKPD-CYBMUJFWSA-N 0 0 308.353 3.611 50 0 DHAARN Cc1ccccc1NC(=O)CN1C[C@@H](C)Sc2ccccc21 ZINC000033059209 563481777 /nfs/dbraw/zinc/48/17/77/563481777.db2.gz DLTKPKKECDXOTE-CQSZACIVSA-N 0 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/nfs/dbraw/zinc/48/68/71/563486871.db2.gz ZGYYRXSVLFCOKW-OAHLLOKOSA-N 0 0 315.866 3.997 50 0 DHAARN COCc1nn2c(nccc2-c2ccncc2)c1-c1ccccc1 ZINC000067630698 563487473 /nfs/dbraw/zinc/48/74/73/563487473.db2.gz ZTUGDQJKPHBNKO-UHFFFAOYSA-N 0 0 316.364 3.605 50 0 DHAARN COCc1nn2c(ncc3c2CCCCC3)c1-c1ccccc1 ZINC000067640737 563487793 /nfs/dbraw/zinc/48/77/93/563487793.db2.gz XKQCXGFOOQNKSC-UHFFFAOYSA-N 0 0 307.397 3.812 50 0 DHAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000067688958 563488603 /nfs/dbraw/zinc/48/86/03/563488603.db2.gz BAFIIJIYPBUGKC-INIZCTEOSA-N 0 0 319.412 3.559 50 0 DHAARN Cc1ccc(N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)nn1 ZINC000067695844 563489460 /nfs/dbraw/zinc/48/94/60/563489460.db2.gz QZRXHNSKKQPOJW-INIZCTEOSA-N 0 0 319.412 3.559 50 0 DHAARN CCCCc1ccc(-n2cc(CN(C)Cc3cc[nH]n3)cn2)cc1 ZINC000067724841 563489920 /nfs/dbraw/zinc/48/99/20/563489920.db2.gz QFLYPRJWRFMTKA-UHFFFAOYSA-N 0 0 323.444 3.570 50 0 DHAARN C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1Cc1ccoc1 ZINC000067771258 563490227 /nfs/dbraw/zinc/49/02/27/563490227.db2.gz BHEPLXZPSIBLFC-CYBMUJFWSA-N 0 0 310.353 3.599 50 0 DHAARN Cc1ccc(SCCn2cc(-c3cccc(O)c3)nn2)cc1 ZINC000067743375 563490369 /nfs/dbraw/zinc/49/03/69/563490369.db2.gz YRMOTXCLFRFIQB-UHFFFAOYSA-N 0 0 311.410 3.751 50 0 DHAARN Cc1ccc2[nH]c(CN(C)[C@H](C)c3nccs3)nc2c1C ZINC000067786624 563490609 /nfs/dbraw/zinc/49/06/09/563490609.db2.gz PLRDMLPVYYWZBX-GFCCVEGCSA-N 0 0 300.431 3.829 50 0 DHAARN O=C(c1cccc(Cl)c1Cl)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067757413 563490821 /nfs/dbraw/zinc/49/08/21/563490821.db2.gz AZGCPODJOVMUSE-JTQLQIEISA-N 0 0 324.211 3.736 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CC(=O)Nc2ccccc2C)c(C)c1 ZINC000067805102 563491182 /nfs/dbraw/zinc/49/11/82/563491182.db2.gz JYPWRIPFEMODAO-MRXNPFEDSA-N 0 0 324.424 3.818 50 0 DHAARN CN(Cc1nc(-c2ccccc2)no1)Cc1cccc2[nH]ccc21 ZINC000067816966 563491476 /nfs/dbraw/zinc/49/14/76/563491476.db2.gz NBXWGOHGHGYCDT-UHFFFAOYSA-N 0 0 318.380 3.850 50 0 DHAARN CC[C@@H](C)n1nccc1NC(=O)c1ccc(-c2ncc[nH]2)s1 ZINC000067855722 563492326 /nfs/dbraw/zinc/49/23/26/563492326.db2.gz CIGBQHOBIAXSER-SNVBAGLBSA-N 0 0 315.402 3.558 50 0 DHAARN COc1cc([C@@H]2c3[nH]cnc3CCN2CCC(C)C)ccc1F ZINC000067843223 563492534 /nfs/dbraw/zinc/49/25/34/563492534.db2.gz FBIROYXMJZAAIR-GOSISDBHSA-N 0 0 317.408 3.551 50 0 DHAARN CN(C)c1ncccc1CNc1ccc2cc(Cl)ccc2n1 ZINC000067846765 563492667 /nfs/dbraw/zinc/49/26/67/563492667.db2.gz VIDCLHHRTHGPHD-UHFFFAOYSA-N 0 0 312.804 3.961 50 0 DHAARN Cc1oc(-c2cccc(Cl)c2)nc1CN(C)Cc1ncc[nH]1 ZINC000067934165 563493546 /nfs/dbraw/zinc/49/35/46/563493546.db2.gz YDPURCXYWGBXFQ-UHFFFAOYSA-N 0 0 316.792 3.659 50 0 DHAARN Cc1cc(C)c(NC(=O)[C@H]2CC(c3ccccc3)=NO2)c(C)c1 ZINC000033145448 563497936 /nfs/dbraw/zinc/49/79/36/563497936.db2.gz DJWDJWFBWDFBDQ-QGZVFWFLSA-N 0 0 308.381 3.744 50 0 DHAARN Cc1noc(C)c1CN(C)Cc1ccc([C@H]2CCCO2)s1 ZINC000071278708 563498207 /nfs/dbraw/zinc/49/82/07/563498207.db2.gz BKJJHPKEGIFRKL-OAHLLOKOSA-N 0 0 306.431 3.836 50 0 DHAARN Clc1ccc(-c2ccnc3nc(-c4ccncc4)nn32)cc1 ZINC000071385048 563498982 /nfs/dbraw/zinc/49/89/82/563498982.db2.gz AQJBIJPDOACTHJ-UHFFFAOYSA-N 0 0 307.744 3.507 50 0 DHAARN Cc1noc2ncnc(NCc3ccc4[nH]c(C)c(C)c4c3)c12 ZINC000071388575 563499231 /nfs/dbraw/zinc/49/92/31/563499231.db2.gz BNLHXYTWEMBWID-UHFFFAOYSA-N 0 0 307.357 3.636 50 0 DHAARN O=C(c1ccc[nH]1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000071416258 563499945 /nfs/dbraw/zinc/49/99/45/563499945.db2.gz JYVJIODVSLTJNO-CYBMUJFWSA-N 0 0 318.367 3.778 50 0 DHAARN CC(=O)NCCn1ccnc1-c1cccc(-c2ccccc2C)c1 ZINC000071775657 563500436 /nfs/dbraw/zinc/50/04/36/563500436.db2.gz QUBALBSUZUVCFR-UHFFFAOYSA-N 0 0 319.408 3.662 50 0 DHAARN O=C(c1ccc[nH]1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071779856 563501567 /nfs/dbraw/zinc/50/15/67/563501567.db2.gz GOWCWHBXDHQWGE-ZDUSSCGKSA-N 0 0 318.367 3.778 50 0 DHAARN Cc1nc(-c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)no1 ZINC000033254178 563501861 /nfs/dbraw/zinc/50/18/61/563501861.db2.gz XATANXZLYSWHEB-LBPRGKRZSA-N 0 0 319.364 3.636 50 0 DHAARN Cc1ccccc1[C@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000072437486 563503780 /nfs/dbraw/zinc/50/37/80/563503780.db2.gz CMWQLZHTNPBFKN-INIZCTEOSA-N 0 0 319.408 3.731 50 0 DHAARN CC(C)(C)OC(=O)NCc1ccc(Br)cc1F ZINC000074938032 563504176 /nfs/dbraw/zinc/50/41/76/563504176.db2.gz DTYUGOHKMHFOMT-UHFFFAOYSA-N 0 0 304.159 3.613 50 0 DHAARN Cc1nc(-c2cccc(N[C@@H](C)CCn3cncn3)c2)cs1 ZINC000097037123 563504498 /nfs/dbraw/zinc/50/44/98/563504498.db2.gz UHSHHFKCRQEFOV-LBPRGKRZSA-N 0 0 313.430 3.601 50 0 DHAARN CO[C@@H](C)[C@H](C)NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000097104850 563505208 /nfs/dbraw/zinc/50/52/08/563505208.db2.gz IZGPDUXVUCOTSN-GJZGRUSLSA-N 0 0 321.461 3.683 50 0 DHAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl ZINC000000034431 563506176 /nfs/dbraw/zinc/50/61/76/563506176.db2.gz GLDJTIBYIWYOML-NSHDSACASA-N 0 0 314.772 3.718 50 0 DHAARN Cc1ncsc1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000097115811 563506607 /nfs/dbraw/zinc/50/66/07/563506607.db2.gz WTDCCQIELXHDLK-UHFFFAOYSA-N 0 0 312.316 3.673 50 0 DHAARN CCOc1ncccc1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000076509920 563506669 /nfs/dbraw/zinc/50/66/69/563506669.db2.gz BZYVPAAFVKFYID-HNNXBMFYSA-N 0 0 314.385 3.831 50 0 DHAARN Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccncc1F)CCC2 ZINC000097135692 563506727 /nfs/dbraw/zinc/50/67/27/563506727.db2.gz FFPZVCHYXYUWDL-ZDUSSCGKSA-N 0 0 320.393 3.527 50 0 DHAARN Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccncc1F)CCC2 ZINC000097135690 563507002 /nfs/dbraw/zinc/50/70/02/563507002.db2.gz FFPZVCHYXYUWDL-CYBMUJFWSA-N 0 0 320.393 3.527 50 0 DHAARN CC(C)c1nnc(CN[C@H](C)c2ncc(-c3ccccc3)o2)o1 ZINC000097112340 563507056 /nfs/dbraw/zinc/50/70/56/563507056.db2.gz BDEMKIHLPVRKNE-GFCCVEGCSA-N 0 0 312.373 3.699 50 0 DHAARN CC[C@@H](NCc1nnc2ccccn21)c1cccc(Cl)c1 ZINC000097971392 563507416 /nfs/dbraw/zinc/50/74/16/563507416.db2.gz RMSSYNGLJALLNV-CQSZACIVSA-N 0 0 300.793 3.624 50 0 DHAARN Cc1ncsc1CCC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000077285339 563508356 /nfs/dbraw/zinc/50/83/56/563508356.db2.gz LBWYLEIBPVFKQU-ZDUSSCGKSA-N 0 0 318.417 3.539 50 0 DHAARN CC(C)c1noc([C@@H]2CCCN2Cc2snnc2C(C)C)n1 ZINC000077376262 563509058 /nfs/dbraw/zinc/50/90/58/563509058.db2.gz LIJZBBSHWLFOHX-NSHDSACASA-N 0 0 321.450 3.505 50 0 DHAARN COc1ncccc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077406837 563509807 /nfs/dbraw/zinc/50/98/07/563509807.db2.gz BVWSVIMVVGMIPP-INIZCTEOSA-N 0 0 314.360 3.597 50 0 DHAARN Cc1nc([C@@H](C)N(C)Cc2noc(C3CCCC3)n2)c(C)s1 ZINC000077391074 563509846 /nfs/dbraw/zinc/50/98/46/563509846.db2.gz BTRMZIMWWICJGH-SNVBAGLBSA-N 0 0 320.462 3.994 50 0 DHAARN O=C(c1cnn2ccccc12)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077437700 563510131 /nfs/dbraw/zinc/51/01/31/563510131.db2.gz MAVWXAYJLUOSIZ-KRWDZBQOSA-N 0 0 323.371 3.841 50 0 DHAARN Cc1cc2c(cc1-c1nccn1CCCc1ccco1)OCO2 ZINC000077470865 563510743 /nfs/dbraw/zinc/51/07/43/563510743.db2.gz VFGYRNHGXLZXGX-UHFFFAOYSA-N 0 0 310.353 3.813 50 0 DHAARN Cc1nc(-c2nccn2CC2(COc3ccccc3)CC2)co1 ZINC000077456808 563511294 /nfs/dbraw/zinc/51/12/94/563511294.db2.gz WPXYCEVHCUPJMV-UHFFFAOYSA-N 0 0 309.369 3.706 50 0 DHAARN CCCc1ccc2oc(-c3nc(CCOC)no3)c(C)c2c1 ZINC000077506119 563511465 /nfs/dbraw/zinc/51/14/65/563511465.db2.gz RPFOTYCCTKCMCZ-UHFFFAOYSA-N 0 0 300.358 3.933 50 0 DHAARN CO[C@@H](C(=O)N(C)Cc1cccc2ncccc12)c1ccccc1 ZINC000077542122 563511499 /nfs/dbraw/zinc/51/14/99/563511499.db2.gz FGYUOUBAMKEMPI-LJQANCHMSA-N 0 0 320.392 3.581 50 0 DHAARN O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC000077537734 563511631 /nfs/dbraw/zinc/51/16/31/563511631.db2.gz DXPIPQBHLIUHGS-GOSISDBHSA-N 0 0 321.355 3.599 50 0 DHAARN Cc1ccc(/C=C\C(=O)NC2CCCC2)c(Br)c1 ZINC000097986728 563511663 /nfs/dbraw/zinc/51/16/63/563511663.db2.gz BSJVFRWUCADQKD-HJWRWDBZSA-N 0 0 308.219 3.830 50 0 DHAARN Cc1cccc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)c1 ZINC000077506033 563511841 /nfs/dbraw/zinc/51/18/41/563511841.db2.gz QADBLSPITOHWBK-IBGZPJMESA-N 0 0 308.425 3.729 50 0 DHAARN Cc1ccc(CN2CCC([C@H](O)CC(C)C)CC2)c(F)c1F ZINC000077555706 563511892 /nfs/dbraw/zinc/51/18/92/563511892.db2.gz LPHZTSQFMHSRJY-MRXNPFEDSA-N 0 0 311.416 3.892 50 0 DHAARN COc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(N)c2c1 ZINC000000052922 563514034 /nfs/dbraw/zinc/51/40/34/563514034.db2.gz VNJATHHOCHNDFI-UHFFFAOYSA-N 0 0 301.729 3.908 50 0 DHAARN Cc1cccc(C)c1NS(=O)(=O)Cc1ccccc1Cl ZINC000000052205 563514153 /nfs/dbraw/zinc/51/41/53/563514153.db2.gz BQDGWGFKEXNTCR-UHFFFAOYSA-N 0 0 309.818 3.899 50 0 DHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCC3)cc12 ZINC000000067116 563517386 /nfs/dbraw/zinc/51/73/86/563517386.db2.gz KUBOMIQTCVJHFW-UHFFFAOYSA-N 0 0 311.410 3.631 50 0 DHAARN CCc1ccccc1NC(=O)COc1nc(C)nc2ccccc21 ZINC000033287278 563518744 /nfs/dbraw/zinc/51/87/44/563518744.db2.gz DVZWRXNASDGZRB-UHFFFAOYSA-N 0 0 321.380 3.518 50 0 DHAARN CCCCS(=O)(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000085477146 563520961 /nfs/dbraw/zinc/52/09/61/563520961.db2.gz AHKLAJXPQJZMLD-UHFFFAOYSA-N 0 0 313.419 3.607 50 0 DHAARN O=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2[nH]1 ZINC000585147940 563521827 /nfs/dbraw/zinc/52/18/27/563521827.db2.gz JHEKVWMHFIMRKJ-UHFFFAOYSA-N 0 0 306.321 3.951 50 0 DHAARN O=C(NCCCOC1CCCCC1)c1cccc2cccnc21 ZINC000011356021 563522939 /nfs/dbraw/zinc/52/29/39/563522939.db2.gz VHOLEPQADJYCTN-UHFFFAOYSA-N 0 0 312.413 3.704 50 0 DHAARN CCOc1ccccc1NC(=O)c1nc(SC)ncc1Cl ZINC000008843574 563524781 /nfs/dbraw/zinc/52/47/81/563524781.db2.gz VLUCCTHXAGTLHD-UHFFFAOYSA-N 0 0 323.805 3.503 50 0 DHAARN Cc1occc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011418337 563525792 /nfs/dbraw/zinc/52/57/92/563525792.db2.gz LOILIDCJKMLQNX-UHFFFAOYSA-N 0 0 318.760 3.621 50 0 DHAARN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1cccs1 ZINC000072288996 563527026 /nfs/dbraw/zinc/52/70/26/563527026.db2.gz LHJYJVREARPJFD-HNNXBMFYSA-N 0 0 318.442 3.799 50 0 DHAARN Cc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1C ZINC000011490470 563527603 /nfs/dbraw/zinc/52/76/03/563527603.db2.gz LEUOGZBLIXLMMO-UHFFFAOYSA-N 0 0 307.279 3.504 50 0 DHAARN Cc1cccc(Nc2ccccc2C(=O)N2CCO[C@@H](C)C2)c1C ZINC000011495554 563527755 /nfs/dbraw/zinc/52/77/55/563527755.db2.gz BZOYFZNFDGYGBX-HNNXBMFYSA-N 0 0 324.424 3.908 50 0 DHAARN COC(=O)c1cc(-c2ccccc2)nn1-c1ccc(F)cc1F ZINC000095100063 563528862 /nfs/dbraw/zinc/52/88/62/563528862.db2.gz FRSDEIADASEMBH-UHFFFAOYSA-N 0 0 314.291 3.604 50 0 DHAARN Cc1cccc(C)c1OC[C@H](C)n1cc(-c2nccs2)nn1 ZINC000095356441 563529423 /nfs/dbraw/zinc/52/94/23/563529423.db2.gz GBPVQLNJYJOUHJ-ZDUSSCGKSA-N 0 0 314.414 3.658 50 0 DHAARN CCOc1cccc(/C=C2\N=C(c3ccccc3F)OC2=O)c1 ZINC000000095046 563531246 /nfs/dbraw/zinc/53/12/46/563531246.db2.gz SMTRKAQHSKFSCG-WJDWOHSUSA-N 0 0 311.312 3.569 50 0 DHAARN COc1ccc(C(=O)c2c(N)sc3c2CCC3)cc1Cl ZINC000095942433 563531253 /nfs/dbraw/zinc/53/12/53/563531253.db2.gz UGHPIUZOUSCBJA-UHFFFAOYSA-N 0 0 307.802 3.712 50 0 DHAARN O=C(Nc1ccnc(Cl)c1F)c1c(F)cccc1Cl ZINC000096029302 563531263 /nfs/dbraw/zinc/53/12/63/563531263.db2.gz DDSXRUDLQQTJDK-UHFFFAOYSA-N 0 0 303.095 3.919 50 0 DHAARN CCCCn1nc(CCSC)nc1-c1cccn1C1CC1 ZINC000096137953 563533936 /nfs/dbraw/zinc/53/39/36/563533936.db2.gz KFVHLCDRUDSJQZ-UHFFFAOYSA-N 0 0 304.463 3.787 50 0 DHAARN Cc1nn(C)c(-c2nc(-c3ccco3)nn2C(C)(C)C)c1Cl ZINC000096163917 563534862 /nfs/dbraw/zinc/53/48/62/563534862.db2.gz DYHRMLRVQVIREK-UHFFFAOYSA-N 0 0 319.796 3.655 50 0 DHAARN COc1ccc(F)cc1-c1ccccc1OCCn1ccnc1 ZINC000096166764 563534975 /nfs/dbraw/zinc/53/49/75/563534975.db2.gz DDXHZHSQNMIACX-UHFFFAOYSA-N 0 0 312.344 3.777 50 0 DHAARN CC[C@@H](c1nc(C2CC2)nn1CCc1ccccc1)n1cccn1 ZINC000096180697 563535702 /nfs/dbraw/zinc/53/57/02/563535702.db2.gz UHAJSRKIOJHHBI-KRWDZBQOSA-N 0 0 321.428 3.594 50 0 DHAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1F ZINC000011613444 563537716 /nfs/dbraw/zinc/53/77/16/563537716.db2.gz NKOROBYSZZQXCJ-UHFFFAOYSA-N 0 0 314.291 3.550 50 0 DHAARN CCCOc1ccccc1C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000097099600 563537894 /nfs/dbraw/zinc/53/78/94/563537894.db2.gz RAIOKVBGHFRWJH-UHFFFAOYSA-N 0 0 305.418 3.552 50 0 DHAARN CN(Cc1cccnc1)c1ncc(C(F)(F)F)cc1Cl ZINC000033376449 563538367 /nfs/dbraw/zinc/53/83/67/563538367.db2.gz DUWTVBFFMWKSJI-UHFFFAOYSA-N 0 0 301.699 3.785 50 0 DHAARN CCc1cc(CC)c(NC(=O)N2CC[C@@H](OC)C2)c(CC)c1 ZINC000097515103 563539329 /nfs/dbraw/zinc/53/93/29/563539329.db2.gz PZKNEKHBWPEPPZ-MRXNPFEDSA-N 0 0 304.434 3.626 50 0 DHAARN CC1(C)Cc2ccccc2C(c2cc3ccccc3oc2=O)=N1 ZINC000000099054 563539581 /nfs/dbraw/zinc/53/95/81/563539581.db2.gz OIMSGYTYUKJLEZ-UHFFFAOYSA-N 0 0 303.361 3.965 50 0 biogenic DHAARN CCn1nc(C(C)C)cc1C(=O)NCCCc1ccccc1F ZINC000097610162 563540914 /nfs/dbraw/zinc/54/09/14/563540914.db2.gz VQEJAQJVNBNVDU-UHFFFAOYSA-N 0 0 317.408 3.528 50 0 DHAARN Cc1cccc2nc(C(=O)N3CCCCC[C@@H]3c3ccco3)cn21 ZINC000097743543 563542019 /nfs/dbraw/zinc/54/20/19/563542019.db2.gz JMTVVMFKPWVRGN-MRXNPFEDSA-N 0 0 323.396 3.993 50 0 DHAARN Cc1nc2[nH]c3ccccc3n2c(=O)c1Cc1ccccc1Cl ZINC000100136775 563546637 /nfs/dbraw/zinc/54/66/37/563546637.db2.gz PXUXDRCCBLKQFI-UHFFFAOYSA-N 0 0 323.783 3.728 50 0 DHAARN CC(C)c1ccc(NN2C(=O)C[C@H](c3ccccc3)C2=O)cc1 ZINC000100207766 563547580 /nfs/dbraw/zinc/54/75/80/563547580.db2.gz YLZARTZXPIEESK-QGZVFWFLSA-N 0 0 308.381 3.680 50 0 DHAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cccc(F)c3)C2)cc1 ZINC000101193663 563556733 /nfs/dbraw/zinc/55/67/33/563556733.db2.gz MIIKAQAPMKKVIA-KRWDZBQOSA-N 0 0 306.344 3.782 50 0 DHAARN Cc1nc(CNC2(c3ccc(Cl)cc3)CCOCC2)oc1C ZINC000078665118 563566046 /nfs/dbraw/zinc/56/60/46/563566046.db2.gz UMTWSUTXEKWICV-UHFFFAOYSA-N 0 0 320.820 3.740 50 0 DHAARN CC(C)(C)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1 ZINC000000137308 563571942 /nfs/dbraw/zinc/57/19/42/563571942.db2.gz JFZTZYFOFIIATR-UHFFFAOYSA-N 0 0 300.354 3.657 50 0 DHAARN CC1(C)CCCC2=C1C[C@@H]1C(=O)NN(c3ccccc3)C(=O)[C@@H]1C2 ZINC000000171950 563574584 /nfs/dbraw/zinc/57/45/84/563574584.db2.gz SEEZGBPPAWHPMP-JKSUJKDBSA-N 0 0 324.424 3.597 50 0 DHAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@H]1CCCO1 ZINC000000179798 563575660 /nfs/dbraw/zinc/57/56/60/563575660.db2.gz HQCNNFGNOKEUSI-CYBMUJFWSA-N 0 0 322.817 3.505 50 0 DHAARN COc1ccc(-c2c(C)oc3cc(OC(C)=O)ccc3c2=O)cc1 ZINC000000189906 563576140 /nfs/dbraw/zinc/57/61/40/563576140.db2.gz KGJXTDUSFWAIMJ-UHFFFAOYSA-N 0 0 324.332 3.702 50 0 biogenic DHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc(Cl)c1 ZINC000000181958 563576183 /nfs/dbraw/zinc/57/61/83/563576183.db2.gz PJZAVYMQTBQPOA-HNNXBMFYSA-N 0 0 319.744 3.638 50 0 DHAARN Cc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 ZINC000000191062 563576903 /nfs/dbraw/zinc/57/69/03/563576903.db2.gz YMBUHLKUPDRNLE-HWKANZROSA-N 0 0 314.197 3.805 50 0 DHAARN COc1cccc2cc(CC(=O)c3ccc(C)cc3C)c(=O)oc21 ZINC000000216813 563578697 /nfs/dbraw/zinc/57/86/97/563578697.db2.gz LSWMGCMDXHVLPC-UHFFFAOYSA-N 0 0 322.360 3.844 50 0 DHAARN Cc1nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2nc1C ZINC000000217471 563579184 /nfs/dbraw/zinc/57/91/84/563579184.db2.gz BDCCHNKFPWJINM-CQSZACIVSA-N 0 0 305.381 3.738 50 0 DHAARN COc1cccc(CN(C)C(=O)N[C@@H](C)Cc2ccsc2)c1 ZINC000050157616 563579709 /nfs/dbraw/zinc/57/97/09/563579709.db2.gz NSSDOUYUFPLDAL-ZDUSSCGKSA-N 0 0 318.442 3.529 50 0 DHAARN C[C@H]1CC2(C)C[C@H](C)C1(COC(=O)NC1CCCCC1)CO2 ZINC000000244423 563581102 /nfs/dbraw/zinc/58/11/02/563581102.db2.gz ZMDXDZFDQRGJIR-DIOPXHOYSA-N 0 0 309.450 3.887 50 0 biogenic DHAARN CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C2CCCCC2)C1 ZINC000000242210 563581143 /nfs/dbraw/zinc/58/11/43/563581143.db2.gz YOPWMAIAVUXGGQ-KRWDZBQOSA-N 0 0 320.820 3.831 50 0 DHAARN CCOc1ccc(CNCc2nc3ccccc3[nH]2)cc1Cl ZINC000113397982 563581877 /nfs/dbraw/zinc/58/18/77/563581877.db2.gz KNZRMWVSDSABGY-UHFFFAOYSA-N 0 0 315.804 3.905 50 0 DHAARN Cc1cc2cc(CNC(=S)NCCc3ccccc3)ccc2[nH]1 ZINC000000251416 563582267 /nfs/dbraw/zinc/58/22/67/563582267.db2.gz WXUQHHYMZFXEPS-UHFFFAOYSA-N 0 0 323.465 3.683 50 0 DHAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1C ZINC000000252199 563582571 /nfs/dbraw/zinc/58/25/71/563582571.db2.gz RIUFEHMLDYOBHB-OAHLLOKOSA-N 0 0 319.408 3.711 50 0 DHAARN CC(C)(C)C(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000000251529 563582588 /nfs/dbraw/zinc/58/25/88/563582588.db2.gz HQHXVUWZCKJFFR-JTQLQIEISA-N 0 0 323.651 3.957 50 0 DHAARN COC(=O)c1ccc(Sc2ccc(C)cc2)c(NC=O)c1 ZINC000000260539 563583382 /nfs/dbraw/zinc/58/33/82/563583382.db2.gz GMSCFHOXEJNSRI-UHFFFAOYSA-N 0 0 301.367 3.501 50 0 DHAARN CC[C@@H](C)NC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000000269879 563583672 /nfs/dbraw/zinc/58/36/72/563583672.db2.gz ZJFWNNBWAMTMAT-SNVBAGLBSA-N 0 0 314.410 3.580 50 0 DHAARN CCc1nc(C)c(C(=O)N(C)[C@H](C)c2ccccc2OC)s1 ZINC000050311853 563584105 /nfs/dbraw/zinc/58/41/05/563584105.db2.gz ZCBMWWPCIIICCK-GFCCVEGCSA-N 0 0 318.442 3.856 50 0 DHAARN COc1c(C)cnc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1C ZINC000050448715 563587320 /nfs/dbraw/zinc/58/73/20/563587320.db2.gz LRJBFQZFERFCJE-HOCLYGCPSA-N 0 0 316.445 3.562 50 0 DHAARN COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000000311346 563587674 /nfs/dbraw/zinc/58/76/74/563587674.db2.gz RGXANDYXQABUGE-UHFFFAOYSA-N 0 0 317.414 3.847 50 0 DHAARN C[C@H](NC(=O)N[C@H](C1CCCC1)C(F)(F)F)c1cccnc1 ZINC000127974768 563588685 /nfs/dbraw/zinc/58/86/85/563588685.db2.gz DJHZIJJMSLELOZ-GXFFZTMASA-N 0 0 315.339 3.563 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Cn2cc(C)c3ccccc32)on1 ZINC000050581161 563589324 /nfs/dbraw/zinc/58/93/24/563589324.db2.gz ASKGCEUBESGJGE-QGZVFWFLSA-N 0 0 323.396 3.610 50 0 DHAARN NC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000000382745 563591349 /nfs/dbraw/zinc/59/13/49/563591349.db2.gz BUUUXVFCGLPSSS-UHFFFAOYSA-N 0 0 316.360 3.705 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1F ZINC000000386252 563591680 /nfs/dbraw/zinc/59/16/80/563591680.db2.gz QPZARQNSCLMGOB-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN Cc1ccccc1[C@H]1c2cccn2CCN1C(=O)NC(C)(C)C ZINC000033560936 563594524 /nfs/dbraw/zinc/59/45/24/563594524.db2.gz CXIBSLBFCCJQCD-KRWDZBQOSA-N 0 0 311.429 3.710 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000011767223 563598704 /nfs/dbraw/zinc/59/87/04/563598704.db2.gz WBPGVNHLDOLDNI-OAHLLOKOSA-N 0 0 307.393 3.790 50 0 DHAARN CC(=O)c1csc(NC(=O)CCCc2ccc(Cl)cc2)n1 ZINC000044361193 563600150 /nfs/dbraw/zinc/60/01/50/563600150.db2.gz XYMXWHGYNJUYEK-UHFFFAOYSA-N 0 0 322.817 3.961 50 0 DHAARN CCCc1cc(=O)[nH]c(SCc2csc(C3CC3)n2)n1 ZINC000124531017 563600637 /nfs/dbraw/zinc/60/06/37/563600637.db2.gz WMZPZJPEBGUGIT-UHFFFAOYSA-N 0 0 307.444 3.761 50 0 DHAARN COC(=O)C(=Cc1ccc(C)cc1)c1cc(=O)c2ccccc2[nH]1 ZINC000011906975 563601199 /nfs/dbraw/zinc/60/11/99/563601199.db2.gz PYFIRPHLRRRSKC-WJDWOHSUSA-N 0 0 319.360 3.550 50 0 DHAARN O=C(C1CCCC1)N(Cc1ccsc1)Cc1ccccn1 ZINC000044445927 563602287 /nfs/dbraw/zinc/60/22/87/563602287.db2.gz FQTRCHBWKQRUJQ-UHFFFAOYSA-N 0 0 300.427 3.862 50 0 DHAARN COc1ccc2c(c1)C(c1cccc(OC)c1)=C(Cl)[S@@]2=O ZINC000248182454 563602341 /nfs/dbraw/zinc/60/23/41/563602341.db2.gz FHAMGBITMQJQJV-OAQYLSRUSA-N 0 0 320.797 3.781 50 0 DHAARN Cc1ccc(NC(=O)[C@@H](C)Sc2cc(C)nc(C)n2)c(C)c1 ZINC000012016737 563603466 /nfs/dbraw/zinc/60/34/66/563603466.db2.gz DLDGFOAFVJKHJL-CYBMUJFWSA-N 0 0 315.442 3.830 50 0 DHAARN Cc1nc(C(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)cs1 ZINC000050767734 563603491 /nfs/dbraw/zinc/60/34/91/563603491.db2.gz FZRSVXXNSZLPLD-INIZCTEOSA-N 0 0 314.454 3.855 50 0 DHAARN O=C(c1noc2c1CCCC2)N1CCCC[C@@H]2CCCC[C@H]21 ZINC000252550611 563610954 /nfs/dbraw/zinc/61/09/54/563610954.db2.gz SVJJAVSJOMGZCU-DZGCQCFKSA-N 0 0 302.418 3.738 50 0 DHAARN CSc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000000430216 563613637 /nfs/dbraw/zinc/61/36/37/563613637.db2.gz PZVIVDLGJXDKNI-GDNBJRDFSA-N 0 0 313.353 3.892 50 0 DHAARN COc1ccc(/C=C2\N=C(C3CCCCC3)OC2=O)cc1OC ZINC000000430523 563613751 /nfs/dbraw/zinc/61/37/51/563613751.db2.gz LJPKWMDEVQOSQD-UVTDQMKNSA-N 0 0 315.369 3.580 50 0 DHAARN Nc1nc(-c2ccccc2)c2c(-c3ccccc3)nc(=S)[nH]n12 ZINC000253495668 563614096 /nfs/dbraw/zinc/61/40/96/563614096.db2.gz NALWAISVBPJJHU-UHFFFAOYSA-N 0 0 319.393 3.703 50 0 DHAARN O=C1OC(c2cccc3ccccc32)=NC1=CNC1CCCCC1 ZINC000000431263 563614457 /nfs/dbraw/zinc/61/44/57/563614457.db2.gz WJEZHOFSCMZFLJ-QGOAFFKASA-N 0 0 320.392 3.907 50 0 DHAARN C[C@@H]1CCN(C(=O)CSc2ccncc2)[C@H](c2ccco2)C1 ZINC000075389741 563616817 /nfs/dbraw/zinc/61/68/17/563616817.db2.gz PYFVLGCBPHEFAH-HIFRSBDPSA-N 0 0 316.426 3.767 50 0 DHAARN CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccncc1 ZINC000079023099 563617826 /nfs/dbraw/zinc/61/78/26/563617826.db2.gz WOARYIGUEIKZLM-NWANDNLSSA-N 0 0 307.463 3.506 50 0 DHAARN Cc1noc(C)c1N(C)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000096448297 563619795 /nfs/dbraw/zinc/61/97/95/563619795.db2.gz BORQCNUMQNSUGT-UHFFFAOYSA-N 0 0 317.776 3.632 50 0 DHAARN O=C(NCC[C@@H](CCO)c1ccccc1)c1cccc(Cl)c1 ZINC000206624907 563623101 /nfs/dbraw/zinc/62/31/01/563623101.db2.gz XOABEEOJYPRODI-HNNXBMFYSA-N 0 0 317.816 3.626 50 0 DHAARN CC(C)[C@@H]1CN(Cc2ccccc2)[C@H]2c3ccccc3C(=O)N12 ZINC000034379943 563623501 /nfs/dbraw/zinc/62/35/01/563623501.db2.gz DJNISVWULMFWDD-RBUKOAKNSA-N 0 0 306.409 3.681 50 0 DHAARN COc1cc2cnc3c(c(C)nn3-c3ccccc3)c2cc1OC ZINC000003127801 563624816 /nfs/dbraw/zinc/62/48/16/563624816.db2.gz WSUVFNAXJXHUHX-UHFFFAOYSA-N 0 0 319.364 3.899 50 0 DHAARN CC(C)(C)Oc1ncc(-c2nccs2)c(OC(C)(C)C)n1 ZINC000005632458 563624885 /nfs/dbraw/zinc/62/48/85/563624885.db2.gz VSQZORJEBOMXKG-UHFFFAOYSA-N 0 0 307.419 3.955 50 0 DHAARN C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(F)cc1 ZINC000005617293 563624951 /nfs/dbraw/zinc/62/49/51/563624951.db2.gz ZHQQVZCPLUAYAT-GFCCVEGCSA-N 0 0 307.365 3.666 50 0 DHAARN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1 ZINC000005635343 563625584 /nfs/dbraw/zinc/62/55/84/563625584.db2.gz DUIUDTCHRSXVCH-UHFFFAOYSA-N 0 0 304.321 3.816 50 0 DHAARN C[C@@H]1C[C@@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000008745807 563625807 /nfs/dbraw/zinc/62/58/07/563625807.db2.gz SHEJZAUIPSNJER-SCZZXKLOSA-N 0 0 323.418 3.564 50 0 DHAARN O=C(c1cccs1)N(Cc1cccs1)C1CCOCC1 ZINC000206674021 563626027 /nfs/dbraw/zinc/62/60/27/563626027.db2.gz OKSHVUYPLRSJDO-UHFFFAOYSA-N 0 0 307.440 3.631 50 0 DHAARN Brc1ccc([C@@H]2[C@H]3C(c4ccccc4)=NCN23)cc1 ZINC000017186044 563626739 /nfs/dbraw/zinc/62/67/39/563626739.db2.gz TZTPGHPXUKERKX-QNRNLVPOSA-N 0 0 313.198 3.635 50 0 DHAARN Cc1cccc(C)c1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000582320591 563627810 /nfs/dbraw/zinc/62/78/10/563627810.db2.gz IABPUPWATXOPNE-GOSISDBHSA-N 0 0 323.440 3.824 50 0 DHAARN Cc1cc(NC(=S)NC(C)(C)C)ccc1Br ZINC000000150636 563628135 /nfs/dbraw/zinc/62/81/35/563628135.db2.gz ZJSRSRSTTUNPHV-UHFFFAOYSA-N 0 0 301.253 3.842 50 0 DHAARN Cc1c(Cl)cccc1N1C(=S)N=NC1c1cccnc1 ZINC000000221629 563628184 /nfs/dbraw/zinc/62/81/84/563628184.db2.gz IRHGYRVEURMNEF-UHFFFAOYSA-N 0 0 302.790 3.580 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000000441879 563630405 /nfs/dbraw/zinc/63/04/05/563630405.db2.gz XTUOLVARBBEJRJ-UHFFFAOYSA-N 0 0 317.772 3.698 50 0 DHAARN CO[C@H](CNC(=O)/C=C/c1ccc(SC)cc1)c1ccco1 ZINC000206863072 563639201 /nfs/dbraw/zinc/63/92/01/563639201.db2.gz SPWFWDPMRQEOJW-OJXHRBAXSA-N 0 0 317.410 3.519 50 0 DHAARN COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 ZINC000007792218 563640858 /nfs/dbraw/zinc/64/08/58/563640858.db2.gz DHCWFHNSEFOYCL-UHFFFAOYSA-N 0 0 307.708 3.518 50 0 DHAARN Cc1ccc2c(c1)nnn2CNc1ccc(Br)cc1 ZINC000003159192 563640871 /nfs/dbraw/zinc/64/08/71/563640871.db2.gz YPMNKRACCPMQJQ-UHFFFAOYSA-N 0 0 317.190 3.572 50 0 DHAARN Cc1ncsc1C(=O)N1C[C@@H](C)Oc2c(Cl)cccc21 ZINC000189835739 563644963 /nfs/dbraw/zinc/64/49/63/563644963.db2.gz GHFHSEUMRUHMMA-MRVPVSSYSA-N 0 0 308.790 3.533 50 0 DHAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000100834879 563645544 /nfs/dbraw/zinc/64/55/44/563645544.db2.gz MDIULAIQZRCZJX-SFHVURJKSA-N 0 0 302.381 3.951 50 0 DHAARN CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100909196 563646485 /nfs/dbraw/zinc/64/64/85/563646485.db2.gz OUMFXLGTXBHSLO-MNDPQUGUSA-N 0 0 318.348 3.742 50 0 DHAARN O=C(Cc1ccccc1)Nc1ncc(Cc2ccccc2)s1 ZINC000000497131 563650971 /nfs/dbraw/zinc/65/09/71/563650971.db2.gz KDDXOJOKTHRKDG-UHFFFAOYSA-N 0 0 308.406 3.915 50 0 DHAARN CNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccccc1C ZINC000101094839 563653697 /nfs/dbraw/zinc/65/36/97/563653697.db2.gz RZZFXWWTEMCHHW-UHFFFAOYSA-N 0 0 323.352 3.787 50 0 DHAARN O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc(Cl)c1 ZINC000101192807 563654517 /nfs/dbraw/zinc/65/45/17/563654517.db2.gz MXNOVWKCUSVLAC-RAXLEYEMSA-N 0 0 308.768 3.994 50 0 DHAARN O=C(Cc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 ZINC000012894368 563654568 /nfs/dbraw/zinc/65/45/68/563654568.db2.gz ZXJIWVMOHZSXFK-UHFFFAOYSA-N 0 0 317.392 3.551 50 0 biogenic DHAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)N[C@@H](C)CC ZINC000102201124 563658636 /nfs/dbraw/zinc/65/86/36/563658636.db2.gz BORLQZUVQDVXPP-NSHDSACASA-N 0 0 317.389 3.535 50 0 DHAARN O=C1CCCC2=Nc3nonc3N[C@H](c3ccc(F)cc3F)C12 ZINC000102743712 563661853 /nfs/dbraw/zinc/66/18/53/563661853.db2.gz BHMQUYOYGAKDPO-CYBMUJFWSA-N 0 0 318.283 3.583 50 0 DHAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccccc2)C1 ZINC000102740921 563661932 /nfs/dbraw/zinc/66/19/32/563661932.db2.gz QKRDDCPLNCZFCN-AWEZNQCLSA-N 0 0 310.357 3.941 50 0 DHAARN Cc1cc2occ(-c3ccc4c(c3)OCCO4)c(=O)c2cc1C ZINC000000518289 563662019 /nfs/dbraw/zinc/66/20/19/563662019.db2.gz YZUQRLBBGNDEKH-UHFFFAOYSA-N 0 0 308.333 3.848 50 0 biogenic DHAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(C)c3)C2)cc1 ZINC000102799121 563663166 /nfs/dbraw/zinc/66/31/66/563663166.db2.gz YRLYEQNNPUBBDC-GOSISDBHSA-N 0 0 302.381 3.951 50 0 DHAARN C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000103009286 563664652 /nfs/dbraw/zinc/66/46/52/563664652.db2.gz RZMBLUKFSHCXDI-IOASZLSFSA-N 0 0 321.392 3.912 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC(C)CC2)c(C)c1 ZINC000000544692 563668685 /nfs/dbraw/zinc/66/86/85/563668685.db2.gz RBJDJFQVZKCMRN-UHFFFAOYSA-N 0 0 321.428 3.669 50 0 DHAARN COc1ccc(-n2c(C)c3c(c2C)c(C)nnc3C)c(OC)c1 ZINC000000552530 563669991 /nfs/dbraw/zinc/66/99/91/563669991.db2.gz CGSXRNMTQJVYPI-UHFFFAOYSA-N 0 0 311.385 3.671 50 0 DHAARN CCOC(=O)c1ccsc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000014622687 563672172 /nfs/dbraw/zinc/67/21/72/563672172.db2.gz FPEQQKUWLUWSOR-VMPITWQZSA-N 0 0 319.357 3.716 50 0 DHAARN O=C(NCC[C@H]1CCCCO1)C1(c2ccccc2)CCCC1 ZINC000182792201 563674859 /nfs/dbraw/zinc/67/48/59/563674859.db2.gz ZRLAVDRNLZKKMZ-QGZVFWFLSA-N 0 0 301.430 3.574 50 0 DHAARN Cc1nc2nc(-c3ccco3)nn2c(Nc2cccc(F)c2)c1C ZINC000046913854 563678346 /nfs/dbraw/zinc/67/83/46/563678346.db2.gz AAQXIIFWFQEHOD-UHFFFAOYSA-N 0 0 323.331 3.884 50 0 DHAARN Cc1cc2ncn(Cc3nnc(-c4ccccc4)o3)c2cc1C ZINC000036691610 563679124 /nfs/dbraw/zinc/67/91/24/563679124.db2.gz TZYZCUOUEMRWIY-UHFFFAOYSA-N 0 0 304.353 3.751 50 0 DHAARN COc1ccccc1CNC(=O)C1(c2cccs2)CCCC1 ZINC000012157782 563681134 /nfs/dbraw/zinc/68/11/34/563681134.db2.gz ZTOQQAXPVHNHBA-UHFFFAOYSA-N 0 0 315.438 3.885 50 0 DHAARN CCCOc1cc(Nc2ccc(NC(=O)CC)cc2)nc(C)n1 ZINC000012225505 563682433 /nfs/dbraw/zinc/68/24/33/563682433.db2.gz VSBOHAWAAWLEMM-UHFFFAOYSA-N 0 0 314.389 3.666 50 0 DHAARN CCOc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(C)n1 ZINC000012225348 563682453 /nfs/dbraw/zinc/68/24/53/563682453.db2.gz MPNNVXHQDLBQFI-UHFFFAOYSA-N 0 0 314.389 3.522 50 0 DHAARN COc1ccc2nc(C(=O)N(C)Cc3ccsc3)ccc2c1 ZINC000044893215 563686201 /nfs/dbraw/zinc/68/62/01/563686201.db2.gz CRZGFFFKUXTSRJ-UHFFFAOYSA-N 0 0 312.394 3.577 50 0 DHAARN COCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2[nH]1 ZINC000044904066 563686715 /nfs/dbraw/zinc/68/67/15/563686715.db2.gz RWOXGLSVTAVDDS-UHFFFAOYSA-N 0 0 315.760 3.615 50 0 DHAARN O=C(Nc1ccc(C(F)(F)F)nc1)c1c[nH]c2ccccc12 ZINC000044920660 563686941 /nfs/dbraw/zinc/68/69/41/563686941.db2.gz AEUJVUFPNVGVBG-UHFFFAOYSA-N 0 0 305.259 3.834 50 0 DHAARN CCCCc1nc(C)c(C(=O)N[C@H](C)c2ccncc2)s1 ZINC000044935073 563687096 /nfs/dbraw/zinc/68/70/96/563687096.db2.gz UGQKSHUKIMFYGO-LLVKDONJSA-N 0 0 303.431 3.680 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044966755 563687700 /nfs/dbraw/zinc/68/77/00/563687700.db2.gz DXLJJSQHSRSJSF-IUCAKERBSA-N 0 0 319.352 3.723 50 0 DHAARN C[C@@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000108166857 563687747 /nfs/dbraw/zinc/68/77/47/563687747.db2.gz DUGRLGVSAQDDHK-NQBHXWOUSA-N 0 0 315.335 3.698 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CCc3ccccc32)on1 ZINC000045305642 563688508 /nfs/dbraw/zinc/68/85/08/563688508.db2.gz KHEWNLPXPMDSOR-HZPDHXFCSA-N 0 0 311.385 3.517 50 0 DHAARN Cc1cccnc1NC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000045234035 563688863 /nfs/dbraw/zinc/68/88/63/563688863.db2.gz BRGZGXKGPGHFDL-ZDUSSCGKSA-N 0 0 317.389 3.888 50 0 DHAARN CCCCN1C(=O)[C@H]2c3ccccc3-c3ccccc3[C@@H]2C1=O ZINC000108800702 563689506 /nfs/dbraw/zinc/68/95/06/563689506.db2.gz DLTRGNKMEBJZEF-ROUUACIJSA-N 0 0 305.377 3.703 50 0 DHAARN CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)C2CCCCC2)c1 ZINC000045720523 563690002 /nfs/dbraw/zinc/69/00/02/563690002.db2.gz SGOLEGTXMKPGDP-ZDUSSCGKSA-N 0 0 317.433 3.680 50 0 DHAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)CC(C)(C)C)n2)C1 ZINC000045754535 563690238 /nfs/dbraw/zinc/69/02/38/563690238.db2.gz PCLZXTMCPKYUND-BETUJISGSA-N 0 0 323.506 3.996 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc2[nH]c(=O)oc2c1 ZINC000046009599 563691243 /nfs/dbraw/zinc/69/12/43/563691243.db2.gz HLKGLRSARHELTB-UHFFFAOYSA-N 0 0 317.732 3.727 50 0 DHAARN CC[C@H]1c2ccsc2CCN1Cc1noc(C(C)(C)C)n1 ZINC000047922799 563692574 /nfs/dbraw/zinc/69/25/74/563692574.db2.gz XJDPZDOZGPAABM-LBPRGKRZSA-N 0 0 305.447 3.938 50 0 DHAARN CCC[C@H](C)NC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000048066088 563693217 /nfs/dbraw/zinc/69/32/17/563693217.db2.gz MGATVDRVUZMZMO-SRXBQZRASA-N 0 0 304.390 3.573 50 0 DHAARN Cc1nnc([C@H](C)Sc2nc3ccccc3n2C(F)F)o1 ZINC000048188798 563693234 /nfs/dbraw/zinc/69/32/34/563693234.db2.gz GSIISEZKKVJFPC-ZETCQYMHSA-N 0 0 310.329 3.976 50 0 DHAARN CCc1c(C(=O)NCc2cccc(Cl)c2)[nH]c(C)c1C(C)=O ZINC000048209517 563693502 /nfs/dbraw/zinc/69/35/02/563693502.db2.gz KHTPXNJKROZWBI-UHFFFAOYSA-N 0 0 318.804 3.672 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)NCCc1ccc(Cl)s1 ZINC000048265164 563694298 /nfs/dbraw/zinc/69/42/98/563694298.db2.gz IPPTZWWJMVQOLN-UHFFFAOYSA-N 0 0 312.822 3.794 50 0 DHAARN Cc1ccc(N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000048273975 563694879 /nfs/dbraw/zinc/69/48/79/563694879.db2.gz DUAXXSFURMFPNA-IAGOWNOFSA-N 0 0 310.441 3.933 50 0 DHAARN CC[C@H]1CCCC[C@H]1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000048278681 563694910 /nfs/dbraw/zinc/69/49/10/563694910.db2.gz LALXFUJYHGDEKH-KBXCAEBGSA-N 0 0 319.470 3.862 50 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Cc1noc(C(C)C)c1C(=O)NCc1nc2ccccc2s1 ZINC000048374747 563697828 /nfs/dbraw/zinc/69/78/28/563697828.db2.gz PBIBPVFWRHKTRI-UHFFFAOYSA-N 0 0 315.398 3.646 50 0 DHAARN COCCn1c2ccccc2nc1-c1cnn(-c2ccccc2)c1 ZINC000048880429 563699809 /nfs/dbraw/zinc/69/98/09/563699809.db2.gz NTIYPQJAPWYXAN-UHFFFAOYSA-N 0 0 318.380 3.535 50 0 DHAARN CCOC(=O)c1nc2ccccc2nc1NCc1ccc(C)cc1 ZINC000049524219 563701554 /nfs/dbraw/zinc/70/15/54/563701554.db2.gz JYIPHWIUQLJIJY-UHFFFAOYSA-N 0 0 321.380 3.727 50 0 DHAARN CCOc1ccc2cccc(NC(=O)Cc3cccs3)c2n1 ZINC000049415098 563701694 /nfs/dbraw/zinc/70/16/94/563701694.db2.gz BIWZMYBWJWRIGM-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN CCCc1nc(-n2cccc2)sc1C(=O)NC1CCCC1 ZINC000049546026 563701769 /nfs/dbraw/zinc/70/17/69/563701769.db2.gz DCCUVLWOSKJGSW-UHFFFAOYSA-N 0 0 303.431 3.559 50 0 DHAARN CCCc1nc(-n2cccc2)sc1C(=O)Nc1cccnc1 ZINC000049544959 563701913 /nfs/dbraw/zinc/70/19/13/563701913.db2.gz IQZIIIAXLOWTAY-UHFFFAOYSA-N 0 0 312.398 3.534 50 0 DHAARN 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Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1F ZINC000012937514 563857941 /nfs/dbraw/zinc/85/79/41/563857941.db2.gz BJAIYANZHQQKFX-UHFFFAOYSA-N 0 0 312.344 3.735 50 0 DHAARN Cc1cc2nc(NC3=NC(C)(C)C=C(C)N3)nc(C)c2cc1C ZINC000575443890 563858239 /nfs/dbraw/zinc/85/82/39/563858239.db2.gz SJYFUVVRYCMQTQ-UHFFFAOYSA-N 0 0 309.417 3.609 50 0 DHAARN O=C(c1cccc2c1OCO2)N(CC1CCC1)c1ccccc1 ZINC000075108207 563859794 /nfs/dbraw/zinc/85/97/94/563859794.db2.gz BVICZJBVRNPNRG-UHFFFAOYSA-N 0 0 309.365 3.862 50 0 DHAARN Cc1ccc(C(=O)N(C)[C@H](C)c2ccc3ccccc3c2)c(=O)[nH]1 ZINC000075122461 563860246 /nfs/dbraw/zinc/86/02/46/563860246.db2.gz TZAKPFSPAPMQLZ-CQSZACIVSA-N 0 0 320.392 3.670 50 0 DHAARN N=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000075149083 563860891 /nfs/dbraw/zinc/86/08/91/563860891.db2.gz UVAOXTRNBJLQQE-CQSZACIVSA-N 0 0 316.813 3.966 50 0 DHAARN Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)o1 ZINC000075170569 563861110 /nfs/dbraw/zinc/86/11/10/563861110.db2.gz LQFDNICBOMSWGJ-UHFFFAOYSA-N 0 0 302.418 3.664 50 0 DHAARN Cc1noc(C)c1CS(=O)(=O)CCC1C[C@H](C)C[C@@H](C)C1 ZINC000089099550 563862399 /nfs/dbraw/zinc/86/23/99/563862399.db2.gz VIQUUGZOICLNJP-VXGBXAGGSA-N 0 0 313.463 3.669 50 0 DHAARN Cc1ccc2c(c1)CCCN2C(=O)c1cccc(-n2ccnc2)c1 ZINC000117575531 563864852 /nfs/dbraw/zinc/86/48/52/563864852.db2.gz JBNSRDQNBHPKFU-UHFFFAOYSA-N 0 0 317.392 3.774 50 0 DHAARN Cc1noc(C)c1C(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575610421 563865599 /nfs/dbraw/zinc/86/55/99/563865599.db2.gz MMEUNOZEHHGSOK-UHFFFAOYSA-N 0 0 302.355 3.543 50 0 DHAARN CCCCNC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429972 563867015 /nfs/dbraw/zinc/86/70/15/563867015.db2.gz ODXASLHGIXDPFV-UHFFFAOYSA-N 0 0 320.396 3.903 50 0 DHAARN CCCc1ccc(C(=O)NCc2nccnc2-c2ccoc2)cc1 ZINC000575619472 563867724 /nfs/dbraw/zinc/86/77/24/563867724.db2.gz FUFNSWDAWLUNSM-UHFFFAOYSA-N 0 0 321.380 3.619 50 0 DHAARN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000035476335 563867790 /nfs/dbraw/zinc/86/77/90/563867790.db2.gz MNIDUKOIUHHKDE-INIZCTEOSA-N 0 0 309.365 3.701 50 0 DHAARN O=C(c1n[nH]c2ccccc21)N1CC=C(c2cccs2)CC1 ZINC000117857419 563868178 /nfs/dbraw/zinc/86/81/78/563868178.db2.gz DVZQNPSZQRTHNB-UHFFFAOYSA-N 0 0 309.394 3.554 50 0 DHAARN Nc1c(Br)cc(Cl)c(F)c1Br ZINC000036532743 563868815 /nfs/dbraw/zinc/86/88/15/563868815.db2.gz RKCRPSCQCHBRKN-UHFFFAOYSA-N 0 0 303.356 3.586 50 0 DHAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(F)cc2)c1 ZINC000035481143 563869097 /nfs/dbraw/zinc/86/90/97/563869097.db2.gz YKYRHENGIGPIMQ-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN Cc1nc(CS[C@H]2CCc3ccccc3NC2=O)cs1 ZINC000190937168 563870266 /nfs/dbraw/zinc/87/02/66/563870266.db2.gz BDIAFABJAXZNDQ-AWEZNQCLSA-N 0 0 304.440 3.638 50 0 DHAARN C[C@H]1CCOCCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000089263053 563870785 /nfs/dbraw/zinc/87/07/85/563870785.db2.gz GZIAOAFSMZXYMZ-VIFPVBQESA-N 0 0 303.189 3.636 50 0 DHAARN Cn1nc(C(=O)Nc2ccccc2)c2c1-c1ccccc1SC2 ZINC000035506730 563870976 /nfs/dbraw/zinc/87/09/76/563870976.db2.gz SQEVJUSTNKIQID-UHFFFAOYSA-N 0 0 321.405 3.945 50 0 DHAARN COCCNc1ccccc1NC(=O)C1CCC(F)(F)CC1 ZINC000191193082 563871398 /nfs/dbraw/zinc/87/13/98/563871398.db2.gz OXOUGFCBFBUQFT-UHFFFAOYSA-N 0 0 312.360 3.509 50 0 DHAARN CCc1nc(-c2cccc(NC(=O)c3cccc(F)c3)c2)no1 ZINC000035539676 563872419 /nfs/dbraw/zinc/87/24/19/563872419.db2.gz YYRKDODVOHULGZ-UHFFFAOYSA-N 0 0 311.316 3.690 50 0 DHAARN COCCN1CCCc2ccc(NC(=O)c3ccccc3C)cc21 ZINC000035588038 563872843 /nfs/dbraw/zinc/87/28/43/563872843.db2.gz KSUDYOKCCHJBCN-UHFFFAOYSA-N 0 0 324.424 3.646 50 0 DHAARN O=C(Nc1cccc2nsnc21)c1cc(-c2ccccc2)on1 ZINC000035672765 563873878 /nfs/dbraw/zinc/87/38/78/563873878.db2.gz SSGMUKAPWCPZJB-UHFFFAOYSA-N 0 0 322.349 3.599 50 0 DHAARN CC(C)N(CC(F)(F)F)C(=O)c1ncoc1-c1cccs1 ZINC000078658552 563874505 /nfs/dbraw/zinc/87/45/05/563874505.db2.gz SEJYVFQTVKPAGN-UHFFFAOYSA-N 0 0 318.320 3.816 50 0 DHAARN O=C(NCC1CC1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013003591 563875101 /nfs/dbraw/zinc/87/51/01/563875101.db2.gz XXAFNPQJEWCKFP-UHFFFAOYSA-N 0 0 317.392 3.679 50 0 DHAARN c1cc(-c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)cs1 ZINC000013008322 563875549 /nfs/dbraw/zinc/87/55/49/563875549.db2.gz GGSINBWWWPMDCH-ZDUSSCGKSA-N 0 0 311.410 3.949 50 0 DHAARN CCCNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000013017500 563876520 /nfs/dbraw/zinc/87/65/20/563876520.db2.gz GECBDQNNIZRICY-UHFFFAOYSA-N 0 0 301.773 3.711 50 0 DHAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1sccc1C ZINC000013014128 563876706 /nfs/dbraw/zinc/87/67/06/563876706.db2.gz SSADGDVLHRJWRD-HNNXBMFYSA-N 0 0 302.374 3.893 50 0 DHAARN O=C(Nc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000075496605 563877097 /nfs/dbraw/zinc/87/70/97/563877097.db2.gz ALQXGXOACLRYJC-UHFFFAOYSA-N 0 0 308.097 3.816 50 0 DHAARN O=C(NCc1cccc(F)c1)c1ccc(-c2cccs2)nc1 ZINC000075502162 563877206 /nfs/dbraw/zinc/87/72/06/563877206.db2.gz OZLIUJJYNNJSHV-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN Cc1nnc(CS[C@@H](C)c2ccc(OC(F)F)cc2)n1C ZINC000091029759 563877757 /nfs/dbraw/zinc/87/77/57/563877757.db2.gz FDCSSKQWEKAVDS-VIFPVBQESA-N 0 0 313.373 3.719 50 0 DHAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCO[C@@H](c2ccccc2)C1 ZINC000029537578 563878386 /nfs/dbraw/zinc/87/83/86/563878386.db2.gz NEXDEUHXRIABAH-UKRRQHHQSA-N 0 0 315.417 3.502 50 0 DHAARN COc1cc(C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC ZINC000000363013 563878602 /nfs/dbraw/zinc/87/86/02/563878602.db2.gz IZCDIXHXWZMFIA-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN Cc1sc(-c2cc[nH]n2)cc1NC(=O)c1cc(F)ccc1F ZINC000075519296 563878743 /nfs/dbraw/zinc/87/87/43/563878743.db2.gz BNKOVJSHKLHVCI-UHFFFAOYSA-N 0 0 319.336 3.977 50 0 DHAARN CCCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001804713 563879203 /nfs/dbraw/zinc/87/92/03/563879203.db2.gz XWRUGPLHDYSYPX-UHFFFAOYSA-N 0 0 301.781 3.681 50 0 DHAARN Cc1ccc(N2N3C(=O)O[C@]4(C)CC[C@@H](C2(C)C)[C@]34C)cc1 ZINC000239305920 563879927 /nfs/dbraw/zinc/87/99/27/563879927.db2.gz GENIPKLLJWZBFJ-QGTPRVQTSA-N 0 0 300.402 3.888 50 0 DHAARN O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H]1c1ccncc1 ZINC000241564254 563880822 /nfs/dbraw/zinc/88/08/22/563880822.db2.gz OSSWBSPCRFQXKI-KSZLIROESA-N 0 0 310.372 3.688 50 0 DHAARN ON1[C@@H]2CCCC[C@@H]2N(O)[C@H]1c1ccc(Cl)cc1Cl ZINC000245325595 563881611 /nfs/dbraw/zinc/88/16/11/563881611.db2.gz GBTQIQHSKGDVDJ-ITGUQSILSA-N 0 0 303.189 3.699 50 0 DHAARN COC(=O)/C(=C(\F)SCC(=O)c1ccccc1)C(F)(F)F ZINC000001824475 563882338 /nfs/dbraw/zinc/88/23/38/563882338.db2.gz JSPIOVVKZQUJIL-KHPPLWFESA-N 0 0 322.279 3.519 50 0 DHAARN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C(C)(C)O1 ZINC000246052202 563882578 /nfs/dbraw/zinc/88/25/78/563882578.db2.gz ALUPKYBXLPMEJV-SCRDCRAPSA-N 0 0 323.383 3.531 50 0 DHAARN COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000002644753 563882584 /nfs/dbraw/zinc/88/25/84/563882584.db2.gz QVJNNYNIDSVNCA-LLVKDONJSA-N 0 0 305.761 3.755 50 0 DHAARN CN(Cc1nc(-c2cccnc2)cs1)C(=O)OC(C)(C)C ZINC000092197159 563882635 /nfs/dbraw/zinc/88/26/35/563882635.db2.gz JNCWYQDRZZVXAY-UHFFFAOYSA-N 0 0 305.403 3.572 50 0 DHAARN Cc1nc(-c2c(C)cc(C)nc2NC(=O)c2ccc(C)cc2)no1 ZINC000075550935 563883855 /nfs/dbraw/zinc/88/38/55/563883855.db2.gz ZZIHRTVVVOVKSR-UHFFFAOYSA-N 0 0 322.368 3.618 50 0 DHAARN COc1cc2c(cc1OC)CN(Cc1cccc(Cl)c1)CC2 ZINC000000294013 563886666 /nfs/dbraw/zinc/88/66/66/563886666.db2.gz JBEXMIUBBWMBHN-UHFFFAOYSA-N 0 0 317.816 3.916 50 0 biogenic DHAARN COc1cc(OC)c(OC)cc1CNc1cc(C)ccc1C ZINC000000438256 563886938 /nfs/dbraw/zinc/88/69/38/563886938.db2.gz JHHVPZOLXRKVRU-UHFFFAOYSA-N 0 0 301.386 3.941 50 0 DHAARN CCCC(=O)c1cn(CC(=O)NC2CCCC2)c2ccccc12 ZINC000006569711 563890601 /nfs/dbraw/zinc/89/06/01/563890601.db2.gz XBFOZNSMNKEWEE-UHFFFAOYSA-N 0 0 312.413 3.683 50 0 DHAARN CCCOC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000064666510 563892238 /nfs/dbraw/zinc/89/22/38/563892238.db2.gz ZPTMZFHYSIQTEM-UHFFFAOYSA-N 0 0 307.349 3.558 50 0 DHAARN C[C@H](NC(=O)CNc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000007972897 563892343 /nfs/dbraw/zinc/89/23/43/563892343.db2.gz LFCRLAPAKXUKJH-LBPRGKRZSA-N 0 0 322.330 3.995 50 0 DHAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)cn1C ZINC000064755952 563892840 /nfs/dbraw/zinc/89/28/40/563892840.db2.gz XWRZJONYYNUGGL-UHFFFAOYSA-N 0 0 304.393 3.964 50 0 DHAARN CC(C)c1nc2ccc(C(=O)NCc3cccs3)cc2o1 ZINC000064968304 563895484 /nfs/dbraw/zinc/89/54/84/563895484.db2.gz ADIHMEBCEXEZEQ-UHFFFAOYSA-N 0 0 300.383 3.943 50 0 DHAARN CN1c2ccccc2C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006831099 563895893 /nfs/dbraw/zinc/89/58/93/563895893.db2.gz YIYWLKZMRODZNS-AWEZNQCLSA-N 0 0 307.180 3.872 50 0 DHAARN COc1ccc(OCCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000036350806 563895936 /nfs/dbraw/zinc/89/59/36/563895936.db2.gz QVPVCBSHKWQBRW-HDMKZQKVSA-N 0 0 319.445 3.795 50 0 DHAARN CC[C@H]1CN(C(=O)NCCc2ccccc2)c2cc(C)ccc2O1 ZINC000006843573 563896745 /nfs/dbraw/zinc/89/67/45/563896745.db2.gz RJZUJRSMFQOMRJ-KRWDZBQOSA-N 0 0 324.424 3.925 50 0 DHAARN CCOc1ccc(NC(=O)N2CCOc3ccc(C)cc32)cc1 ZINC000006842592 563896762 /nfs/dbraw/zinc/89/67/62/563896762.db2.gz CQLTVCSLDJKMFD-UHFFFAOYSA-N 0 0 312.369 3.825 50 0 DHAARN CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2nc(N)sc21 ZINC000036366382 563896763 /nfs/dbraw/zinc/89/67/63/563896763.db2.gz AOEUECGCIASQSW-SNVBAGLBSA-N 0 0 303.387 3.636 50 0 DHAARN Cc1cc(COC(=O)c2sc(-c3ccccc3)nc2C)no1 ZINC000006848801 563897190 /nfs/dbraw/zinc/89/71/90/563897190.db2.gz ZKVORYUZGRPXFS-UHFFFAOYSA-N 0 0 314.366 3.772 50 0 DHAARN COc1cccc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1OC ZINC000036386113 563897425 /nfs/dbraw/zinc/89/74/25/563897425.db2.gz MSANAUHGEBQFEO-IIAWOOMASA-N 0 0 319.445 3.577 50 0 DHAARN Cc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c(C)c1 ZINC000036392997 563898254 /nfs/dbraw/zinc/89/82/54/563898254.db2.gz SWBUWUZTOJBUDH-UHFFFAOYSA-N 0 0 305.381 3.670 50 0 DHAARN C[C@@H](Cc1ccccc1Cl)NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000036393968 563898435 /nfs/dbraw/zinc/89/84/35/563898435.db2.gz VPYGOURQJVQYOU-ZANVPECISA-N 0 0 320.647 3.971 50 0 DHAARN CCn1c(C)c(C)c2cc(C(=O)NCCc3ccco3)ccc21 ZINC000006912944 563899217 /nfs/dbraw/zinc/89/92/17/563899217.db2.gz KRZOAAKIGDOPQH-UHFFFAOYSA-N 0 0 310.397 3.844 50 0 DHAARN CCSc1nnc([C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 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CC(C)(C)c1nc(CC(=O)Nc2cnn(C(C)(C)C)c2)cs1 ZINC000069567751 563953537 /nfs/dbraw/zinc/95/35/37/563953537.db2.gz LKWDHRVORMXRMO-UHFFFAOYSA-N 0 0 320.462 3.573 50 0 DHAARN CCn1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)cn1 ZINC000069570646 563953608 /nfs/dbraw/zinc/95/36/08/563953608.db2.gz QINYQFKIBOJIQB-UHFFFAOYSA-N 0 0 312.398 3.587 50 0 DHAARN C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccn1 ZINC000069559954 563953622 /nfs/dbraw/zinc/95/36/22/563953622.db2.gz QMFKVQDGOPSCJX-TZMCWYRMSA-N 0 0 322.330 3.995 50 0 DHAARN CC(=O)Nc1ccc(N[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000009157694 563953707 /nfs/dbraw/zinc/95/37/07/563953707.db2.gz OUOSRMYSGIPROZ-GFCCVEGCSA-N 0 0 322.368 3.868 50 0 DHAARN CS[C@H](C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000069586607 563953777 /nfs/dbraw/zinc/95/37/77/563953777.db2.gz YVTWTLKZHNPGQW-WBMJQRKESA-N 0 0 318.417 3.520 50 0 DHAARN Cn1cccc1[C@H]1CCCCCN1C(=O)CCc1ccco1 ZINC000069642439 563953910 /nfs/dbraw/zinc/95/39/10/563953910.db2.gz LYYBIRITXGDPFY-QGZVFWFLSA-N 0 0 300.402 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/nfs/dbraw/zinc/95/63/14/563956314.db2.gz UAZMQAQYMTWDRE-UHFFFAOYSA-N 0 0 314.772 3.785 50 0 DHAARN CC[C@@H](C)c1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 ZINC000009513355 563956397 /nfs/dbraw/zinc/95/63/97/563956397.db2.gz HMPIGKWSMYOTHM-FZKQIMNGSA-N 0 0 324.432 3.842 50 0 DHAARN CCC[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(C)cc1 ZINC000009528172 563956590 /nfs/dbraw/zinc/95/65/90/563956590.db2.gz LZQOGJRKXRADNH-GOSISDBHSA-N 0 0 311.429 3.863 50 0 DHAARN O=Cc1ccc(OCCc2ccc(Br)cc2)cc1 ZINC000041531797 563956618 /nfs/dbraw/zinc/95/66/18/563956618.db2.gz RZFUWNCIHGSEFG-UHFFFAOYSA-N 0 0 305.171 3.883 50 0 DHAARN Cc1cc(C)c2c(n1)sc1c2N[C@H](c2cccs2)NC1=O ZINC000009549863 563956826 /nfs/dbraw/zinc/95/68/26/563956826.db2.gz RAISXUPLKZSPNI-ZDUSSCGKSA-N 0 0 315.423 3.829 50 0 DHAARN Cc1cc(C)cc(-n2ncc3c2ncnc3N2CCCCCC2)c1 ZINC000009627496 563957098 /nfs/dbraw/zinc/95/70/98/563957098.db2.gz OUBLMXXZIPVJTQ-UHFFFAOYSA-N 0 0 321.428 3.813 50 0 DHAARN Cn1ccc2c1cccc2NC(=O)c1cc2ccccc2n1C ZINC000070666358 563957136 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/nfs/dbraw/zinc/89/26/80/1037892680.db2.gz BIYXTAZEYFIIJQ-UHFFFAOYSA-N 0 0 320.776 3.812 50 0 DHAARN COc1ccccc1N=c1scc(C)n1Cc1cccnc1 ZINC000254702877 1038044707 /nfs/dbraw/zinc/04/47/07/1038044707.db2.gz FZEQAUPNLJQOMV-UHFFFAOYSA-N 0 0 311.410 3.542 50 0 DHAARN CC(C)c1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 ZINC000033147054 1038107452 /nfs/dbraw/zinc/10/74/52/1038107452.db2.gz UZLBSFREPPUWDP-GOSISDBHSA-N 0 0 308.381 3.942 50 0 DHAARN Cc1nc(COc2ccc(/C=C/c3ccncn3)cc2)cs1 ZINC000157340553 1038880943 /nfs/dbraw/zinc/88/09/43/1038880943.db2.gz CYYJCPPKIJTXPR-GORDUTHDSA-N 0 0 309.394 3.991 50 0 DHAARN COc1cc(CN(C(=O)c2ccccc2C)C2CC2)ccc1O ZINC000089689104 1041065901 /nfs/dbraw/zinc/06/59/01/1041065901.db2.gz GECPJOAWKYPHLK-UHFFFAOYSA-N 0 0 311.381 3.514 50 0 DHAARN COC(=O)c1ccc(N2CC[C@H](c3ccccc3Cl)C2)nc1 ZINC000032498421 1041092689 /nfs/dbraw/zinc/09/26/89/1041092689.db2.gz LMBMFZWBWCWUNP-ZDUSSCGKSA-N 0 0 316.788 3.516 50 0 DHAARN COC(=O)c1ccc(N2CC[C@@H](c3ccccc3Cl)C2)nc1 ZINC000032498419 1041092812 /nfs/dbraw/zinc/09/28/12/1041092812.db2.gz LMBMFZWBWCWUNP-CYBMUJFWSA-N 0 0 316.788 3.516 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2sc(C)nc2C(C)C)cc1 ZINC000074629375 185004296 /nfs/dbraw/zinc/00/42/96/185004296.db2.gz WVWQZXWJXYRXHX-UHFFFAOYSA-N 0 0 317.414 3.786 50 0 DHAARN COc1ccc2c(c1)c(C(=O)NCc1cccnc1)cn2C(C)C ZINC000095473363 185373048 /nfs/dbraw/zinc/37/30/48/185373048.db2.gz WPTQLFCVXHUWBR-UHFFFAOYSA-N 0 0 323.396 3.556 50 0 DHAARN CCn1cc(NC(=O)CC2(n3cccc3)CCCCC2)c(C)n1 ZINC000095479926 185373671 /nfs/dbraw/zinc/37/36/71/185373671.db2.gz PAOBWMPYWYPNBV-UHFFFAOYSA-N 0 0 314.433 3.701 50 0 DHAARN Cc1nc(C)c(-c2nn3c(nnc3-c3ccccc3)s2)s1 ZINC000095480810 185373789 /nfs/dbraw/zinc/37/37/89/185373789.db2.gz VJPUMVSOOWDCRU-UHFFFAOYSA-N 0 0 313.411 3.593 50 0 DHAARN Cn1nc(COc2cccc(Cl)c2)nc1CCC(F)(F)F ZINC000095517710 185376739 /nfs/dbraw/zinc/37/67/39/185376739.db2.gz RPUSTNYMPJWOAN-UHFFFAOYSA-N 0 0 319.714 3.542 50 0 DHAARN C[C@@H]1CCN(Cc2cc(C(N)=O)cs2)c2ccccc2S1 ZINC000225416103 201704522 /nfs/dbraw/zinc/70/45/22/201704522.db2.gz XPYUCBOHQAKYCO-LLVKDONJSA-N 0 0 318.467 3.738 50 0 DHAARN CCCc1cnc(C)nc1C[C@H]1COc2cc(OC)ccc2C1 ZINC000095529090 185378635 /nfs/dbraw/zinc/37/86/35/185378635.db2.gz UDAAZTURZFSFJH-AWEZNQCLSA-N 0 0 312.413 3.540 50 0 DHAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1OC ZINC000095529421 185378766 /nfs/dbraw/zinc/37/87/66/185378766.db2.gz AAWATGOYNNFEKV-LJQANCHMSA-N 0 0 322.408 3.762 50 0 DHAARN CCn1cc(/C=C\C(=O)NCc2ccc(Cl)c(Cl)c2)cn1 ZINC000096593648 185384315 /nfs/dbraw/zinc/38/43/15/185384315.db2.gz TWLYZWMCQZGWOM-XQRVVYSFSA-N 0 0 324.211 3.539 50 0 DHAARN O=C(/C=C\c1cc(Br)ccc1F)Nc1cccnc1 ZINC000096640047 185384709 /nfs/dbraw/zinc/38/47/09/185384709.db2.gz RYQMJLBSPVZIJJ-UTCJRWHESA-N 0 0 321.149 3.635 50 0 DHAARN O=C(/C=C/c1ccccc1Cl)NCC[C@H](O)c1cccs1 ZINC000077113864 185110113 /nfs/dbraw/zinc/11/01/13/185110113.db2.gz HNASLULXEYYARG-NPQIQWPPSA-N 0 0 321.829 3.655 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000078883139 185122684 /nfs/dbraw/zinc/12/26/84/185122684.db2.gz MBQUHLSRVOYWDI-STQMWFEESA-N 0 0 323.318 3.788 50 0 DHAARN CSc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)o1 ZINC000078996562 185143469 /nfs/dbraw/zinc/14/34/69/185143469.db2.gz RMSDLLWPPJLRPM-WFASDCNBSA-N 0 0 317.410 3.604 50 0 DHAARN C[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccc(F)c(Cl)c1 ZINC000079030819 185147609 /nfs/dbraw/zinc/14/76/09/185147609.db2.gz IGBKSUXYZCQIOI-SNVBAGLBSA-N 0 0 322.767 3.583 50 0 DHAARN Cc1cccc2ncnc(N(C)[C@H](C)Cc3ccc(O)cc3)c12 ZINC000079099075 185158208 /nfs/dbraw/zinc/15/82/08/185158208.db2.gz ILZZCQNJCMKJPV-CQSZACIVSA-N 0 0 307.397 3.711 50 0 DHAARN Cc1cccc(NC(=O)NCc2ncoc2-c2ccccc2)c1 ZINC000079100313 185158415 /nfs/dbraw/zinc/15/84/15/185158415.db2.gz VNXHZRFBYDPMDB-UHFFFAOYSA-N 0 0 307.353 3.972 50 0 DHAARN O=C(c1ccc(Cl)s1)N(C[C@H]1CCCO1)c1ccncc1 ZINC000079310484 185164228 /nfs/dbraw/zinc/16/42/28/185164228.db2.gz IHNRKWMWBLBMEP-GFCCVEGCSA-N 0 0 322.817 3.622 50 0 DHAARN O=C(C[C@@H]1CC(=O)Oc2ccccc21)Nc1ccc2[nH]ccc2c1 ZINC000079190239 185161297 /nfs/dbraw/zinc/16/12/97/185161297.db2.gz GRCRMOQZARKPQC-CYBMUJFWSA-N 0 0 320.348 3.589 50 0 biogenic DHAARN CC(C)n1ccc2cc(C(=O)NCCc3ccncc3)ccc21 ZINC000079478935 185173385 /nfs/dbraw/zinc/17/33/85/185173385.db2.gz YFSBVIKEYVGFAY-UHFFFAOYSA-N 0 0 307.397 3.590 50 0 DHAARN O=C(C[C@H]1C=CCC1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000079360272 185166931 /nfs/dbraw/zinc/16/69/31/185166931.db2.gz YCSHEEMTYZRXJQ-AWEZNQCLSA-N 0 0 303.377 3.552 50 0 DHAARN CN(Cc1nc2ccccc2s1)C(=O)/C=C\c1ccccc1 ZINC000096879294 185390077 /nfs/dbraw/zinc/39/00/77/185390077.db2.gz SFBDEEBHFSBMJP-QXMHVHEDSA-N 0 0 308.406 3.968 50 0 DHAARN C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc2ocnc2c1 ZINC000328593792 231234160 /nfs/dbraw/zinc/23/41/60/231234160.db2.gz JRHKFLQTSLRNTB-CYBMUJFWSA-N 0 0 322.364 3.575 50 0 DHAARN CCOc1ccc(CSc2nccc(C(F)(F)F)n2)nc1 ZINC000083203408 185219165 /nfs/dbraw/zinc/21/91/65/185219165.db2.gz DDIRTZNHHUKQDF-UHFFFAOYSA-N 0 0 315.320 3.581 50 0 DHAARN C[C@@H](CCCO)NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000088479109 185252454 /nfs/dbraw/zinc/25/24/54/185252454.db2.gz GVIQQDLUMQSUIQ-UWVGGRQHSA-N 0 0 319.232 3.515 50 0 DHAARN COc1cccc(C2=N/C(=C/c3cc4ccccc4o3)C(=O)O2)c1 ZINC000096935639 185392675 /nfs/dbraw/zinc/39/26/75/185392675.db2.gz XSJKHUBRQDMFMH-LFIBNONCSA-N 0 0 319.316 3.786 50 0 DHAARN CCCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000013331830 534931996 /nfs/dbraw/zinc/93/19/96/534931996.db2.gz GAGMOTANCKWYDZ-UHFFFAOYSA-N 0 0 315.244 3.832 50 0 DHAARN COc1cc(/C=C2/N=C(C(C)(C)C)OC2=O)cc(Cl)c1OC ZINC000096939748 185393232 /nfs/dbraw/zinc/39/32/32/185393232.db2.gz MGPUCBKVMDXQAH-YRNVUSSQSA-N 0 0 323.776 3.700 50 0 DHAARN CC(=O)Nc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1 ZINC000089980265 185273519 /nfs/dbraw/zinc/27/35/19/185273519.db2.gz YOOASRZSJGSGRJ-UHFFFAOYSA-N 0 0 320.396 3.502 50 0 DHAARN CCOc1ccc(N(C)C(=O)CSc2ccc(F)cc2)cc1 ZINC000089991121 185275381 /nfs/dbraw/zinc/27/53/81/185275381.db2.gz PCTNCSINBHMPKJ-UHFFFAOYSA-N 0 0 319.401 3.980 50 0 DHAARN CC(=O)Nc1ccccc1CNc1ccccc1-n1ccc(C)n1 ZINC000090201070 185286804 /nfs/dbraw/zinc/28/68/04/185286804.db2.gz PADQHZCOFSTQKS-UHFFFAOYSA-N 0 0 320.396 3.751 50 0 DHAARN O[C@@H](Cn1ccnc1-c1ccc2ccccc2n1)c1ccccc1 ZINC000082106372 192356452 /nfs/dbraw/zinc/35/64/52/192356452.db2.gz DTIIQRJWSWUVIH-IBGZPJMESA-N 0 0 315.376 3.832 50 0 DHAARN CCCn1ncc(C(=O)N(C)[C@@H](C)c2nc(C)sc2C)c1C ZINC000082106515 192357222 /nfs/dbraw/zinc/35/72/22/192357222.db2.gz PSICPNZIDWLMDB-NSHDSACASA-N 0 0 320.462 3.508 50 0 DHAARN C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1cccc(F)c1 ZINC000096971641 185394831 /nfs/dbraw/zinc/39/48/31/185394831.db2.gz DQLHTBBJLWUJGS-HNNXBMFYSA-N 0 0 318.436 3.653 50 0 DHAARN O=C1O[C@@H]([C@H](O)c2cccc(Cl)c2Cl)c2ccccc21 ZINC000000481084 190614854 /nfs/dbraw/zinc/61/48/54/190614854.db2.gz HHQYGPFHMCDNMZ-ZIAGYGMSSA-N 0 0 309.148 3.939 50 0 DHAARN O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000000081905 190611021 /nfs/dbraw/zinc/61/10/21/190611021.db2.gz LSRXYCOLZQKRAR-UHFFFAOYSA-N 0 0 310.687 3.580 50 0 DHAARN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 ZINC000000092761 190611250 /nfs/dbraw/zinc/61/12/50/190611250.db2.gz QTJOTAODJSYYPB-UHFFFAOYSA-N 0 0 314.410 3.859 50 0 DHAARN C[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCCC1 ZINC000005077469 190620468 /nfs/dbraw/zinc/62/04/68/190620468.db2.gz SXYLANBCYKGVEY-GFCCVEGCSA-N 0 0 323.820 3.582 50 0 DHAARN Cc1cc(Cl)ccc1Nc1ncnc2c1nc1n2CCCC1 ZINC000006937002 190626774 /nfs/dbraw/zinc/62/67/74/190626774.db2.gz QVPBTSOYOZRLAK-UHFFFAOYSA-N 0 0 313.792 3.868 50 0 DHAARN O=C(Nc1ccccc1F)[C@@H]1CCCCN1Cc1ccccc1 ZINC000095402658 185354902 /nfs/dbraw/zinc/35/49/02/185354902.db2.gz IIZGMIBVNHPBFI-SFHVURJKSA-N 0 0 312.388 3.819 50 0 DHAARN O=C(C[C@H]1CCOC1)Nc1ccc(Sc2cccs2)cn1 ZINC000095403657 185355079 /nfs/dbraw/zinc/35/50/79/185355079.db2.gz CKQAHHUWULKQBA-LLVKDONJSA-N 0 0 320.439 3.659 50 0 DHAARN CN(Cc1cc(Cl)cn1C)C(=O)Nc1cccc2[nH]ccc21 ZINC000095411747 185357527 /nfs/dbraw/zinc/35/75/27/185357527.db2.gz DAMBLDXAMPFZRE-UHFFFAOYSA-N 0 0 316.792 3.824 50 0 DHAARN Cc1ccc(C)c([C@@H]2CCCN2c2cn[nH]c(=O)c2Cl)c1 ZINC000095416578 185359169 /nfs/dbraw/zinc/35/91/69/185359169.db2.gz RYJSTUOCBPHZBB-ZDUSSCGKSA-N 0 0 303.793 3.794 50 0 DHAARN CC(C)(C(=O)NC[C@@H](O)c1ccsc1)c1cccc(Cl)c1 ZINC000095417453 185359399 /nfs/dbraw/zinc/35/93/99/185359399.db2.gz TZXGFCGJVKPIEH-CQSZACIVSA-N 0 0 323.845 3.529 50 0 DHAARN CCOc1ccc(CNc2ccc(NC(C)=O)cc2Cl)nc1 ZINC000095417979 185359645 /nfs/dbraw/zinc/35/96/45/185359645.db2.gz RPUBDRDRFUOOKA-UHFFFAOYSA-N 0 0 319.792 3.704 50 0 DHAARN c1ccc2c(c1)CCCC[C@H]2NCc1nnc2n1CCCCC2 ZINC000095419395 185359887 /nfs/dbraw/zinc/35/98/87/185359887.db2.gz QXTGNOKXGJNFJV-QGZVFWFLSA-N 0 0 310.445 3.562 50 0 DHAARN Cc1cscc1C(=O)Nc1ccccc1-n1nc(C)nc1C ZINC000095418797 185359930 /nfs/dbraw/zinc/35/99/30/185359930.db2.gz YBIOBYBONANLOU-UHFFFAOYSA-N 0 0 312.398 3.506 50 0 DHAARN COc1ccc([C@H](C)NCc2cccc(OC)c2OC)c(F)c1 ZINC000095420542 185360180 /nfs/dbraw/zinc/36/01/80/185360180.db2.gz HRWQEZSXOZQJOA-LBPRGKRZSA-N 0 0 319.376 3.702 50 0 DHAARN Clc1ccc(C2=NNC(=Nc3ccccn3)SC2)s1 ZINC000095425621 185361729 /nfs/dbraw/zinc/36/17/29/185361729.db2.gz CBMNXFWIJHYGJN-UHFFFAOYSA-N 0 0 308.819 3.716 50 0 DHAARN Cc1ccc([C@H](C)NCc2cc(O)ccc2Br)o1 ZINC000095428171 185362269 /nfs/dbraw/zinc/36/22/69/185362269.db2.gz DYHMSEFFGOWKJL-JTQLQIEISA-N 0 0 310.191 3.907 50 0 DHAARN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(F)c(F)c1F ZINC000095430444 185363018 /nfs/dbraw/zinc/36/30/18/185363018.db2.gz PPUXHKIKHQCHGW-SNVBAGLBSA-N 0 0 323.314 3.513 50 0 DHAARN COc1ccc(CSc2nnc(-c3ccncc3)o2)cc1F ZINC000013984976 190639271 /nfs/dbraw/zinc/63/92/71/190639271.db2.gz HHVRVMLTNAMGAK-UHFFFAOYSA-N 0 0 317.345 3.572 50 0 DHAARN CN(CCc1nccs1)C(=O)/C=C/c1cc2ccccc2o1 ZINC000095435420 185364629 /nfs/dbraw/zinc/36/46/29/185364629.db2.gz JXRJDHWKGJRTEP-VOTSOKGWSA-N 0 0 312.394 3.604 50 0 DHAARN CCOc1ccc(N[C@@H]2CCc3ccc(F)cc32)cc1CO ZINC000097011508 185396837 /nfs/dbraw/zinc/39/68/37/185396837.db2.gz XFXZBXDEXPNHSI-QGZVFWFLSA-N 0 0 301.361 3.816 50 0 DHAARN CCc1nc(CN[C@@H](C)c2ccc(F)cc2N(C)C)cs1 ZINC000095422161 185360958 /nfs/dbraw/zinc/36/09/58/185360958.db2.gz WVUIOJNRRWLASF-NSHDSACASA-N 0 0 307.438 3.761 50 0 DHAARN Fc1ccc(NCc2cccc3c2OCO3)cc1Br ZINC000095445303 185367268 /nfs/dbraw/zinc/36/72/68/185367268.db2.gz JARBYENMBPFUOJ-UHFFFAOYSA-N 0 0 324.149 3.929 50 0 DHAARN Cc1cccc(C2(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)CCCC2)c1 ZINC000095451516 185368927 /nfs/dbraw/zinc/36/89/27/185368927.db2.gz ZGDJAIGVFHYRGS-JKSUJKDBSA-N 0 0 313.441 3.886 50 0 DHAARN COc1ccc2cccc(CC(=O)N(C)c3ncccc3F)c2c1 ZINC000095436541 185365275 /nfs/dbraw/zinc/36/52/75/185365275.db2.gz ZNYXNMNSMNIGTP-UHFFFAOYSA-N 0 0 324.355 3.588 50 0 DHAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC1CC=CC1 ZINC000095440334 185366175 /nfs/dbraw/zinc/36/61/75/185366175.db2.gz GRXXBGSGDNCQIQ-GFCCVEGCSA-N 0 0 307.463 3.996 50 0 DHAARN O=C(Nc1ccc(F)c(F)c1)N1CCC(Cl)=C(Cl)C1 ZINC000095467005 185372001 /nfs/dbraw/zinc/37/20/01/185372001.db2.gz MRKWIEJOEKKQSK-UHFFFAOYSA-N 0 0 307.127 3.892 50 0 DHAARN CC[C@H](C)[C@H](NCc1ccc(OC)cc1)C(=O)OC(C)(C)C ZINC000095467214 185372054 /nfs/dbraw/zinc/37/20/54/185372054.db2.gz BNUUAWZSFYSCEG-BBRMVZONSA-N 0 0 307.434 3.541 50 0 DHAARN CC[C@@H]1CC[C@@H](C)N1C(=O)c1sc(NC(=O)C2CC2)cc1C ZINC000095459201 185370521 /nfs/dbraw/zinc/37/05/21/185370521.db2.gz OLUFLXSXATXKBX-DGCLKSJQSA-N 0 0 320.458 3.808 50 0 DHAARN CO[C@H](C)c1nc(CN2CCCOc3ccc(C)cc32)cs1 ZINC000095459741 185370577 /nfs/dbraw/zinc/37/05/77/185370577.db2.gz SMSCIBONGQRMTO-CYBMUJFWSA-N 0 0 318.442 3.948 50 0 DHAARN C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccon1 ZINC000095462261 185371041 /nfs/dbraw/zinc/37/10/41/185371041.db2.gz XVKFKHNXDRCHKL-SSDOTTSWSA-N 0 0 300.145 3.864 50 0 DHAARN CC(=O)N1CCC(Nc2cc(-c3ccco3)ccc2F)CC1 ZINC000097022841 185398610 /nfs/dbraw/zinc/39/86/10/185398610.db2.gz JJHZGGISCLDFPE-UHFFFAOYSA-N 0 0 302.349 3.509 50 0 DHAARN COc1ccc(CNc2cc(-c3ccco3)[nH]n2)cc1Cl ZINC000095472052 185372667 /nfs/dbraw/zinc/37/26/67/185372667.db2.gz ZRTMPFCXFIXUIK-UHFFFAOYSA-N 0 0 303.749 3.944 50 0 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OCCKYYLDGOFUIM-IBGZPJMESA-N 0 0 310.397 3.746 50 0 DHAARN O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1CCCO1 ZINC000000030149 180671096 /nfs/dbraw/zinc/67/10/96/180671096.db2.gz MYSNTDIGGVKBLS-SFHVURJKSA-N 0 0 309.409 3.504 50 0 DHAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1 ZINC000000031501 180672112 /nfs/dbraw/zinc/67/21/12/180672112.db2.gz SEBHNTDAWYDYBH-GFCCVEGCSA-N 0 0 303.431 3.664 50 0 DHAARN Cc1cc(OCC(=O)N2CCc3ccccc32)cc(C)c1Cl ZINC000000037587 180674341 /nfs/dbraw/zinc/67/43/41/180674341.db2.gz KWVKLCMESKQREV-UHFFFAOYSA-N 0 0 315.800 3.925 50 0 DHAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)NCCc1ccccc1 ZINC000000042856 180675743 /nfs/dbraw/zinc/67/57/43/180675743.db2.gz PSWAZRAOBUPKLM-GXTWGEPZSA-N 0 0 312.240 3.937 50 0 DHAARN O=C(COc1ccc(Cl)cc1Cl)NCCc1ccccc1 ZINC000000047718 180677648 /nfs/dbraw/zinc/67/76/48/180677648.db2.gz KKBMVSGBGAUGTR-UHFFFAOYSA-N 0 0 324.207 3.731 50 0 DHAARN Cc1nc(NC(=O)c2sc(-n3cccc3)nc2C)sc1C ZINC000072406024 191151952 /nfs/dbraw/zinc/15/19/52/191151952.db2.gz MDKLJMSRNIWACY-UHFFFAOYSA-N 0 0 318.427 3.568 50 0 DHAARN Cn1c(C(=O)N2CCc3ccccc3C2)cc2cc(F)ccc21 ZINC000072403593 191152280 /nfs/dbraw/zinc/15/22/80/191152280.db2.gz BLTBRNPXVGAWNH-UHFFFAOYSA-N 0 0 308.356 3.516 50 0 DHAARN COC(=O)c1sc2ccccc2c1OC(=O)c1cccs1 ZINC000000090557 180689161 /nfs/dbraw/zinc/68/91/61/180689161.db2.gz GMWSLSJQQCFPKW-UHFFFAOYSA-N 0 0 318.375 3.969 50 0 DHAARN CC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000000082830 180686953 /nfs/dbraw/zinc/68/69/53/180686953.db2.gz MFAIVQUSOCQFNA-UHFFFAOYSA-N 0 0 308.333 3.736 50 0 DHAARN Cc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)[nH]n1 ZINC000072412098 191155888 /nfs/dbraw/zinc/15/58/88/191155888.db2.gz GHRADWHEBIIHHU-UHFFFAOYSA-N 0 0 321.380 3.783 50 0 DHAARN CCOc1ccc(S(=O)(=O)NCC(C)C)cc1[C@@H](C)CC ZINC000072414544 191156118 /nfs/dbraw/zinc/15/61/18/191156118.db2.gz IRKKZCBISHKFIH-ZDUSSCGKSA-N 0 0 313.463 3.533 50 0 DHAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)Cc1ccsc1 ZINC000072421870 191158413 /nfs/dbraw/zinc/15/84/13/191158413.db2.gz UZQDXAJPOGVFMU-UHFFFAOYSA-N 0 0 312.394 3.604 50 0 DHAARN O=C1CS[C@@H](c2cccnc2)N1CCc1ccc(Cl)cc1 ZINC000000100346 180692719 /nfs/dbraw/zinc/69/27/19/180692719.db2.gz JBWLIFNSJWUITC-INIZCTEOSA-N 0 0 318.829 3.552 50 0 DHAARN Cc1ccc(C(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 ZINC000000113590 180697127 /nfs/dbraw/zinc/69/71/27/180697127.db2.gz VKCSIFCPBDIWDM-UHFFFAOYSA-N 0 0 308.406 3.907 50 0 DHAARN CCc1cc(N[C@@H](C)c2ccc(C)nc2)n2nc(C)c(C)c2n1 ZINC000072435386 191166268 /nfs/dbraw/zinc/16/62/68/191166268.db2.gz DMLHMEJDIPGTTR-AWEZNQCLSA-N 0 0 309.417 3.785 50 0 DHAARN CCc1cc(N[C@@H](C)c2ncccc2C)n2nc(C)c(C)c2n1 ZINC000072430831 191163370 /nfs/dbraw/zinc/16/33/70/191163370.db2.gz BJOKMXPKWLWQLF-AWEZNQCLSA-N 0 0 309.417 3.785 50 0 DHAARN Cc1ccc(Oc2cccc(C(=O)Nc3cccc(F)c3)c2)nn1 ZINC000072441922 191167570 /nfs/dbraw/zinc/16/75/70/191167570.db2.gz DJUSHHJLHTVZKM-UHFFFAOYSA-N 0 0 323.327 3.969 50 0 DHAARN C[C@@H](NC(=O)c1cccc(Oc2ncccn2)c1)c1ccccc1 ZINC000072446729 191168795 /nfs/dbraw/zinc/16/87/95/191168795.db2.gz ZRFJMEQVGFWBOB-CQSZACIVSA-N 0 0 319.364 3.760 50 0 DHAARN c1ccc(Cn2nnc(C3(c4ccccc4)CCCCC3)n2)cc1 ZINC000072447030 191169317 /nfs/dbraw/zinc/16/93/17/191169317.db2.gz PTEQFFXXMTXVLP-UHFFFAOYSA-N 0 0 318.424 3.972 50 0 DHAARN Cc1ccncc1-c1cc(NCc2cccnc2)nc2[nH]ccc21 ZINC000072447648 191169458 /nfs/dbraw/zinc/16/94/58/191169458.db2.gz RDDFEUKLBVTZKD-UHFFFAOYSA-N 0 0 315.380 3.940 50 0 DHAARN Cc1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 ZINC000072451296 191170185 /nfs/dbraw/zinc/17/01/85/191170185.db2.gz KADWSOBLVSEBHQ-UHFFFAOYSA-N 0 0 318.376 3.911 50 0 DHAARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(F)cc1 ZINC000000131883 180703465 /nfs/dbraw/zinc/70/34/65/180703465.db2.gz WHSNDMZLGJSPSF-UHFFFAOYSA-N 0 0 315.344 3.745 50 0 DHAARN COc1cc(C=O)ccc1OCc1ccc(Br)cc1 ZINC000000151787 180709624 /nfs/dbraw/zinc/70/96/24/180709624.db2.gz JXNATVTYSLOUDG-UHFFFAOYSA-N 0 0 321.170 3.849 50 0 DHAARN O=C1C[C@H](c2ccc3c(c2)OCO3)Sc2nc3ccccc3n21 ZINC000000167050 180712606 /nfs/dbraw/zinc/71/26/06/180712606.db2.gz AJFGMSMHTDAJIZ-OAHLLOKOSA-N 0 0 324.361 3.642 50 0 aggregator DHAARN C[C@H](c1ccon1)N(C)C(=O)CCCc1ccc(Cl)cc1 ZINC000072476367 191178252 /nfs/dbraw/zinc/17/82/52/191178252.db2.gz YATYFXHKEAZUEA-GFCCVEGCSA-N 0 0 306.793 3.870 50 0 DHAARN CN(C(=O)c1cccc(CCC(C)(C)O)c1)C1CCCCC1 ZINC000072476114 191178382 /nfs/dbraw/zinc/17/83/82/191178382.db2.gz FLXHULLHJAWPTM-UHFFFAOYSA-N 0 0 303.446 3.795 50 0 DHAARN CS[C@@H]1CCCC[C@@]1(O)CSc1nc2ccccc2o1 ZINC000000208876 180726066 /nfs/dbraw/zinc/72/60/66/180726066.db2.gz SBPJNCKTKXCLSD-UKRRQHHQSA-N 0 0 309.456 3.957 50 0 DHAARN O=C1N[C@H](c2c[nH]c3ccccc32)Nc2sc3c(c21)CCCC3 ZINC000000190676 180720739 /nfs/dbraw/zinc/72/07/39/180720739.db2.gz HIFBJTRWHXFSOK-INIZCTEOSA-N 0 0 323.421 3.962 50 0 DHAARN O=C1CCCc2nn(-c3ccccc3)c(-c3ccccc3O)c21 ZINC000000202358 180724141 /nfs/dbraw/zinc/72/41/41/180724141.db2.gz SDPHUFNYQYHFJB-UHFFFAOYSA-N 0 0 304.349 3.764 50 0 DHAARN COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(C)=O ZINC000000296723 180751206 /nfs/dbraw/zinc/75/12/06/180751206.db2.gz CYUAYTXGQUIXOW-UHFFFAOYSA-N 0 0 318.760 3.559 50 0 DHAARN Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000000281035 180746583 /nfs/dbraw/zinc/74/65/83/180746583.db2.gz YCOOYUVLTVBYBY-UHFFFAOYSA-N 0 0 314.410 3.859 50 0 DHAARN C[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000298390 180751769 /nfs/dbraw/zinc/75/17/69/180751769.db2.gz HYHSCLDDJSDEQE-NSHDSACASA-N 0 0 304.187 3.940 50 0 DHAARN Nc1c2cc3c(nc2sc1C(=O)c1ccccc1)CCCC3=O ZINC000000302409 180752217 /nfs/dbraw/zinc/75/22/17/180752217.db2.gz QBCIDOFNASELCM-UHFFFAOYSA-N 0 0 322.389 3.629 50 0 DHAARN Cc1nc(C)c(CNc2ccc(C)c(N3CCOC3=O)c2)s1 ZINC000072743449 191224021 /nfs/dbraw/zinc/22/40/21/191224021.db2.gz HIGMUJHVSJOATO-UHFFFAOYSA-N 0 0 317.414 3.637 50 0 DHAARN COc1ccc(C(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 ZINC000000377362 180771294 /nfs/dbraw/zinc/77/12/94/180771294.db2.gz BSTXWDGSESVOFG-UHFFFAOYSA-N 0 0 324.405 3.607 50 0 DHAARN O=C(/C=C/c1c(Cl)cccc1Cl)NCc1cccnc1 ZINC000000376419 180771330 /nfs/dbraw/zinc/77/13/30/180771330.db2.gz MMGNLFGYUXDUND-VOTSOKGWSA-N 0 0 307.180 3.718 50 0 DHAARN CC(=O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc21 ZINC000000383202 180772866 /nfs/dbraw/zinc/77/28/66/180772866.db2.gz GTMRKAQCTHBXJW-UHFFFAOYSA-N 0 0 308.333 3.883 50 0 biogenic DHAARN O=c1oc(CCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000000349885 180763527 /nfs/dbraw/zinc/76/35/27/180763527.db2.gz OWUAWANIVSTMHG-UHFFFAOYSA-N 0 0 311.406 3.914 50 0 DHAARN Fc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1 ZINC000000385304 180774228 /nfs/dbraw/zinc/77/42/28/180774228.db2.gz CDVKGLYFLXDKCS-UHFFFAOYSA-N 0 0 310.357 3.583 50 0 DHAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(F)c1 ZINC000000356196 180765923 /nfs/dbraw/zinc/76/59/23/180765923.db2.gz RKBZZPQHOBMSAH-NTEUORMPSA-N 0 0 301.704 3.824 50 0 DHAARN O=C(NCCn1ccc2ccccc21)c1c(F)cccc1Cl ZINC000000427818 180787459 /nfs/dbraw/zinc/78/74/59/180787459.db2.gz VSUIFISOKLEKMP-UHFFFAOYSA-N 0 0 316.763 3.864 50 0 DHAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2C)cc1 ZINC000000422187 180784659 /nfs/dbraw/zinc/78/46/59/180784659.db2.gz CTPKJVXHHPQCCL-UHFFFAOYSA-N 0 0 323.421 3.766 50 0 DHAARN COc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)on2)cc1 ZINC000000423704 180785230 /nfs/dbraw/zinc/78/52/30/180785230.db2.gz NZTZUAAUXMLRCQ-UHFFFAOYSA-N 0 0 324.336 3.611 50 0 DHAARN O=C1CS[C@H](c2ccc(F)c(F)c2)N1c1ccc(F)cc1 ZINC000000423870 180785233 /nfs/dbraw/zinc/78/52/33/180785233.db2.gz SUMFWFWBLDNFGZ-OAHLLOKOSA-N 0 0 309.312 3.883 50 0 DHAARN CSc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000000461830 180798278 /nfs/dbraw/zinc/79/82/78/180798278.db2.gz QPJHXJGBGSCAGE-XNTDXEJSSA-N 0 0 313.353 3.892 50 0 DHAARN CCc1c(C)sc(NC(=O)Cc2ccccc2)c1C(=O)OC ZINC000000461501 180798553 /nfs/dbraw/zinc/79/85/53/180798553.db2.gz FPYDZQMGEMBRRC-UHFFFAOYSA-N 0 0 317.410 3.587 50 0 DHAARN COc1ccc(C(=O)c2c(C)oc3ccc(O)cc32)cc1OC ZINC000000444873 180792920 /nfs/dbraw/zinc/79/29/20/180792920.db2.gz OAJCLFIHNMTIEH-UHFFFAOYSA-N 0 0 312.321 3.695 50 0 biogenic DHAARN C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000000476500 180803062 /nfs/dbraw/zinc/80/30/62/180803062.db2.gz CSZZHDFJKDLWPK-OFFHKIPUSA-N 0 0 308.219 3.863 50 0 DHAARN Cc1cccc(OCC(=O)Nc2ccccc2OC(F)F)c1C ZINC000000528251 180814343 /nfs/dbraw/zinc/81/43/43/180814343.db2.gz CJJUATHDQZEGJM-UHFFFAOYSA-N 0 0 321.323 3.922 50 0 DHAARN CCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1 ZINC000000530286 180814779 /nfs/dbraw/zinc/81/47/79/180814779.db2.gz JDSTVXZKMYUQDJ-UHFFFAOYSA-N 0 0 315.398 3.859 50 0 DHAARN CSc1ncccc1C(=O)Nc1cccc(Br)c1 ZINC000000515896 180810987 /nfs/dbraw/zinc/81/09/87/180810987.db2.gz RNHCWEOZGVPHKF-UHFFFAOYSA-N 0 0 323.215 3.818 50 0 DHAARN COc1ccc2[nH]cc(CCNC(=O)OCc3ccccc3)c2c1 ZINC000000518875 180811063 /nfs/dbraw/zinc/81/10/63/180811063.db2.gz ZDQFSJNLDMYFCD-UHFFFAOYSA-N 0 0 324.380 3.645 50 0 biogenic DHAARN O=C(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000000550366 180819700 /nfs/dbraw/zinc/81/97/00/180819700.db2.gz AJJJCGQWOMMBQW-UHFFFAOYSA-N 0 0 320.179 3.800 50 0 DHAARN COc1ccc(Cl)cc1NC(=S)N[C@H](C)c1ccncc1 ZINC000000610800 180828026 /nfs/dbraw/zinc/82/80/26/180828026.db2.gz JBMCLSONDIOUHA-SNVBAGLBSA-N 0 0 321.833 3.791 50 0 DHAARN Cc1[nH]c2ccccc2c1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000564762 180822930 /nfs/dbraw/zinc/82/29/30/180822930.db2.gz JMQRJDHCVIBKNS-HNNXBMFYSA-N 0 0 304.349 3.523 50 0 DHAARN Cc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1ccco1 ZINC000000570291 180823919 /nfs/dbraw/zinc/82/39/19/180823919.db2.gz GRNUEBVYTSMQQV-UHFFFAOYSA-N 0 0 300.358 3.825 50 0 DHAARN Cc1cc(OC(=O)c2cccs2)c2c(C)c(C)c(=O)oc2c1 ZINC000000859171 180836028 /nfs/dbraw/zinc/83/60/28/180836028.db2.gz SHHFCMILEUKETD-UHFFFAOYSA-N 0 0 314.362 3.999 50 0 DHAARN COc1cc(OC)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000615075 180829405 /nfs/dbraw/zinc/82/94/05/180829405.db2.gz AKBLYRIORZDYTI-UHFFFAOYSA-N 0 0 310.349 3.709 50 0 biogenic DHAARN CC(=O)Nc1cccc(NC(=O)c2oc3ccccc3c2C)c1 ZINC000001054128 180843134 /nfs/dbraw/zinc/84/31/34/180843134.db2.gz UIFBLTCSGQDCRU-UHFFFAOYSA-N 0 0 308.337 3.952 50 0 DHAARN Cc1cccc(-c2nnnn2-c2cccc(C(F)(F)F)c2)c1 ZINC000001386038 180858341 /nfs/dbraw/zinc/85/83/41/180858341.db2.gz QVNLZTXEKLDJTM-UHFFFAOYSA-N 0 0 304.275 3.657 50 0 DHAARN CC(=O)C(Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 ZINC000001386516 180858430 /nfs/dbraw/zinc/85/84/30/180858430.db2.gz IMRMUIUAXWXUNZ-UHFFFAOYSA-N 0 0 309.196 3.774 50 0 DHAARN CCOc1ccc(C(=S)NCCc2ccccc2)cc1OC ZINC000001443837 180867154 /nfs/dbraw/zinc/86/71/54/180867154.db2.gz XOBKMGULILSBKY-UHFFFAOYSA-N 0 0 315.438 3.602 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(-c3noc(C)n3)cc2C)c1 ZINC000001428890 180865992 /nfs/dbraw/zinc/86/59/92/180865992.db2.gz FTTKDPXMNHVWEC-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN Cc1ccccc1OCCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000001772483 180895319 /nfs/dbraw/zinc/89/53/19/180895319.db2.gz AQVMPNDBSWLOCH-UHFFFAOYSA-N 0 0 313.353 3.521 50 0 DHAARN CCCC[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000001848685 180898741 /nfs/dbraw/zinc/89/87/41/180898741.db2.gz STMIIPIFODONDC-AWEZNQCLSA-N 0 0 314.216 3.663 50 0 in-vitro DHAARN COc1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000002054335 180908362 /nfs/dbraw/zinc/90/83/62/180908362.db2.gz BWYUXDBYGBFICB-UHFFFAOYSA-N 0 0 320.410 3.760 50 0 DHAARN COc1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000002051895 180908371 /nfs/dbraw/zinc/90/83/71/180908371.db2.gz DAGQVWSESBLJTA-UHFFFAOYSA-N 0 0 307.349 3.866 50 0 DHAARN COc1ccc(S(=O)(=O)Oc2cc(C)ccc2C(C)C)cc1 ZINC000002069536 180908697 /nfs/dbraw/zinc/90/86/97/180908697.db2.gz IIIWTQJIMRDDAM-UHFFFAOYSA-N 0 0 320.410 3.895 50 0 DHAARN CCOc1cccc(OC)c1[C@](O)(c1ccccc1)C(C)C ZINC000002172722 180914151 /nfs/dbraw/zinc/91/41/51/180914151.db2.gz KLJRJPVXKJCMDM-LJQANCHMSA-N 0 0 300.398 3.986 50 0 DHAARN Oc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000002440774 180923786 /nfs/dbraw/zinc/92/37/86/180923786.db2.gz XNLAUPBGVJGJPG-UHFFFAOYSA-N 0 0 322.393 3.590 50 0 DHAARN CC(=O)Nc1ccc(OCCCOc2ccc(F)cc2F)cc1 ZINC000002546346 180933930 /nfs/dbraw/zinc/93/39/30/180933930.db2.gz RZLOGGZBMKXEKY-UHFFFAOYSA-N 0 0 321.323 3.771 50 0 DHAARN COc1cc(NC(=O)c2cccc(Cl)c2)cc(OC)c1OC ZINC000002648695 180944102 /nfs/dbraw/zinc/94/41/02/180944102.db2.gz YVMGIRCZSQFCJG-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN Cc1csc(NC(=O)CCc2nc3ccccc3s2)n1 ZINC000002653881 180944961 /nfs/dbraw/zinc/94/49/61/180944961.db2.gz UCJDLVITHMQABW-UHFFFAOYSA-N 0 0 303.412 3.633 50 0 DHAARN Clc1ccccc1OCCOc1ncnc2sccc21 ZINC000002623043 180940419 /nfs/dbraw/zinc/94/04/19/180940419.db2.gz AHGCWJALJISCOY-UHFFFAOYSA-N 0 0 306.774 3.803 50 0 DHAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc2ncsc2c1 ZINC000002630605 180940920 /nfs/dbraw/zinc/94/09/20/180940920.db2.gz CBNGHJBNXYHYDH-UHFFFAOYSA-N 0 0 308.284 3.966 50 0 DHAARN CCCOC(=O)c1c(N)scc1-c1ccc(OCC)cc1 ZINC000002754441 180952007 /nfs/dbraw/zinc/95/20/07/180952007.db2.gz ZQWOPKRLKGEXQI-UHFFFAOYSA-N 0 0 305.399 3.963 50 0 DHAARN CCCC(=O)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl ZINC000002702036 180948010 /nfs/dbraw/zinc/94/80/10/180948010.db2.gz VZJWACOWBNKNJK-LLVKDONJSA-N 0 0 310.608 3.678 50 0 DHAARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000002721567 180949485 /nfs/dbraw/zinc/94/94/85/180949485.db2.gz NTJKNDFMBBUNEN-UHFFFAOYSA-N 0 0 313.788 3.579 50 0 DHAARN COc1cccc(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000002851931 180963238 /nfs/dbraw/zinc/96/32/38/180963238.db2.gz ZFKKBZFRUJADFL-UHFFFAOYSA-N 0 0 320.186 3.639 50 0 biogenic DHAARN Cc1ccc(OCCCCn2cnc3ccccc3c2=O)c(C)c1 ZINC000002863276 180964506 /nfs/dbraw/zinc/96/45/06/180964506.db2.gz JASXZVGMVFQIEG-UHFFFAOYSA-N 0 0 322.408 3.873 50 0 DHAARN O=C(/C=C/c1ccc(F)cc1)NCCSCc1ccccc1 ZINC000002982345 180973450 /nfs/dbraw/zinc/97/34/50/180973450.db2.gz FXJVFLZGOLQDFQ-DHZHZOJOSA-N 0 0 315.413 3.889 50 0 DHAARN Cc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1 ZINC000002995713 180975603 /nfs/dbraw/zinc/97/56/03/180975603.db2.gz BBCKFETXYGYWTL-UHFFFAOYSA-N 0 0 303.427 3.597 50 0 DHAARN Cc1csc(NC(=O)COc2cc(C)ccc2C(C)C)n1 ZINC000003109876 180981893 /nfs/dbraw/zinc/98/18/93/180981893.db2.gz DCRDQMSNWVWQTL-UHFFFAOYSA-N 0 0 304.415 3.901 50 0 DHAARN Fc1cnccc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000073144673 191283841 /nfs/dbraw/zinc/28/38/41/191283841.db2.gz GJXQVABYJRANOE-UHFFFAOYSA-N 0 0 324.359 3.928 50 0 DHAARN CC[C@H](C)SCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000003258222 180997538 /nfs/dbraw/zinc/99/75/38/180997538.db2.gz CSXYFVCMXISTFN-HNNXBMFYSA-N 0 0 305.487 3.999 50 0 DHAARN COc1ccc(C)cc1NC(=O)COc1cccc2cccnc21 ZINC000003256998 180997587 /nfs/dbraw/zinc/99/75/87/180997587.db2.gz CVXUPURBBDTNIA-UHFFFAOYSA-N 0 0 322.364 3.569 50 0 DHAARN CN(C(=O)CSc1ncnc2ccccc21)C1CCCCC1 ZINC000003262531 180997960 /nfs/dbraw/zinc/99/79/60/180997960.db2.gz QWKJMOUHFMURPH-UHFFFAOYSA-N 0 0 315.442 3.513 50 0 DHAARN CC(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2)cc1 ZINC000003264575 180998316 /nfs/dbraw/zinc/99/83/16/180998316.db2.gz AKRIALZTTSWFFI-SFHVURJKSA-N 0 0 310.397 3.966 50 0 DHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000003326795 181006034 /nfs/dbraw/zinc/00/60/34/181006034.db2.gz RWTGIHCINVIKHO-DOMZBBRYSA-N 0 0 324.380 3.542 50 0 DHAARN COc1ccc(NC(=S)NCc2ccccc2)cc1Cl ZINC000003328512 181006164 /nfs/dbraw/zinc/00/61/64/181006164.db2.gz AUEROHIVYQRSIU-UHFFFAOYSA-N 0 0 306.818 3.835 50 0 DHAARN Cc1sc(NC[C@H]2CCCO2)nc1-c1ccc(F)c(F)c1 ZINC000003328455 181006200 /nfs/dbraw/zinc/00/62/00/181006200.db2.gz GPNIQYJBWUZLFE-LLVKDONJSA-N 0 0 310.369 3.988 50 0 DHAARN CC(C)CC(=O)OCc1ccc(COC(=O)CC(C)C)cc1 ZINC000003313629 181003612 /nfs/dbraw/zinc/00/36/12/181003612.db2.gz UVEWGVNQVBHNKX-UHFFFAOYSA-N 0 0 306.402 3.865 50 0 DHAARN O=C(OCc1c(F)cccc1Cl)c1ccc2c(c1)OCO2 ZINC000003314752 181003757 /nfs/dbraw/zinc/00/37/57/181003757.db2.gz RPIPSRJHOLTNBD-UHFFFAOYSA-N 0 0 308.692 3.565 50 0 DHAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccs1 ZINC000003379369 181013616 /nfs/dbraw/zinc/01/36/16/181013616.db2.gz MLWXAEGZIOYXCP-UHFFFAOYSA-N 0 0 309.774 3.505 50 0 DHAARN CN(C)[C@H](CNC(=S)Nc1ccccc1Cl)c1ccco1 ZINC000003335676 181007443 /nfs/dbraw/zinc/00/74/43/181007443.db2.gz XNSLKRFVYYWCDM-CYBMUJFWSA-N 0 0 323.849 3.522 50 0 DHAARN Cc1cccc(Oc2ccccc2NC(=O)c2cnccn2)c1 ZINC000003340483 181008281 /nfs/dbraw/zinc/00/82/81/181008281.db2.gz MAVVTQQPPKPDDX-UHFFFAOYSA-N 0 0 305.337 3.830 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)cc3O)cc2)n1 ZINC000003340020 181008692 /nfs/dbraw/zinc/00/86/92/181008692.db2.gz YOICDDKFGUJUDA-UHFFFAOYSA-N 0 0 321.380 3.755 50 0 DHAARN Cc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2)cc1 ZINC000003452779 181022451 /nfs/dbraw/zinc/02/24/51/181022451.db2.gz IDVIOXWEHRVILP-AWEZNQCLSA-N 0 0 323.421 3.939 50 0 DHAARN Cc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)no1 ZINC000003399059 181015263 /nfs/dbraw/zinc/01/52/63/181015263.db2.gz QPCMGWHNSJSXCV-UHFFFAOYSA-N 0 0 308.337 3.668 50 0 DHAARN O=C(COC(=O)c1cccc(F)c1)Nc1cccc2ccccc21 ZINC000003405235 181015645 /nfs/dbraw/zinc/01/56/45/181015645.db2.gz NHAHSXXQZHUVJM-UHFFFAOYSA-N 0 0 323.323 3.774 50 0 DHAARN Cc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2)cc1 ZINC000003452776 181022522 /nfs/dbraw/zinc/02/25/22/181022522.db2.gz IDVIOXWEHRVILP-CQSZACIVSA-N 0 0 323.421 3.939 50 0 DHAARN CC1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000003438829 181019704 /nfs/dbraw/zinc/01/97/04/181019704.db2.gz YZOJSJPBMAAXIP-JFUPDXTOSA-N 0 0 317.429 3.553 50 0 DHAARN CC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000003443939 181020600 /nfs/dbraw/zinc/02/06/00/181020600.db2.gz WPZXXUOZGVSWAR-KRWDZBQOSA-N 0 0 310.397 3.521 50 0 DHAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccccc2o1 ZINC000003451063 181021429 /nfs/dbraw/zinc/02/14/29/181021429.db2.gz KODZZEKQIJHXDZ-HNNXBMFYSA-N 0 0 324.380 3.593 50 0 DHAARN COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)c(OC)c1 ZINC000003451026 181021671 /nfs/dbraw/zinc/02/16/71/181021671.db2.gz QNFJHWXHWWQIDA-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN Cc1c2ccccc2oc1C(=O)OCC(=O)N(C)c1ccccc1 ZINC000003537268 181031046 /nfs/dbraw/zinc/03/10/46/181031046.db2.gz PJRCJOWWNDQNQG-UHFFFAOYSA-N 0 0 323.348 3.561 50 0 DHAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2c(s1)CCCC2 ZINC000003461890 181023632 /nfs/dbraw/zinc/02/36/32/181023632.db2.gz CTADXMCCOCPHBS-UHFFFAOYSA-N 0 0 301.367 3.608 50 0 DHAARN CC[C@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000003472838 181024501 /nfs/dbraw/zinc/02/45/01/181024501.db2.gz UDMATNXERNCUNN-JTQLQIEISA-N 0 0 324.446 3.956 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)CNc1ccccc1F ZINC000003487014 181025961 /nfs/dbraw/zinc/02/59/61/181025961.db2.gz WADWCPUCCXLKOH-UHFFFAOYSA-N 0 0 308.740 3.538 50 0 DHAARN COCc1c2ccccc2oc1C(=O)NCc1ccc(F)cc1 ZINC000003486498 181026012 /nfs/dbraw/zinc/02/60/12/181026012.db2.gz FNJSHIDCKNVUCZ-UHFFFAOYSA-N 0 0 313.328 3.648 50 0 DHAARN CCc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000003503525 181026791 /nfs/dbraw/zinc/02/67/91/181026791.db2.gz PDDGZDFMRZNRBJ-UHFFFAOYSA-N 0 0 311.410 3.856 50 0 DHAARN Cc1ccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)s1 ZINC000003511006 181028152 /nfs/dbraw/zinc/02/81/52/181028152.db2.gz VBLBAXJCKCEZSI-UHFFFAOYSA-N 0 0 314.362 3.828 50 0 DHAARN COc1cc(C)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000003510597 181028321 /nfs/dbraw/zinc/02/83/21/181028321.db2.gz AIWCGPMVSBSTHO-UHFFFAOYSA-N 0 0 319.788 3.983 50 0 DHAARN Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(Cl)cc1 ZINC000003512078 181028850 /nfs/dbraw/zinc/02/88/50/181028850.db2.gz MSAPYVMPQLJMLI-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN Cc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000003554500 181034018 /nfs/dbraw/zinc/03/40/18/181034018.db2.gz PVBRLWFTHHICMT-UHFFFAOYSA-N 0 0 307.315 3.873 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCc4ccccc43)cc2)n1 ZINC000003561119 181034650 /nfs/dbraw/zinc/03/46/50/181034650.db2.gz LIQZWGIOISEFMV-UHFFFAOYSA-N 0 0 317.392 3.692 50 0 DHAARN COc1ccccc1/C=C/C(=O)Nc1ccc(F)c(F)c1F ZINC000003561472 181034697 /nfs/dbraw/zinc/03/46/97/181034697.db2.gz FHAWOWAKCGFYML-RMKNXTFCSA-N 0 0 307.271 3.764 50 0 DHAARN COc1ccc2c(CC(=O)NCCC3=CCCCC3)coc2c1 ZINC000003565614 181035745 /nfs/dbraw/zinc/03/57/45/181035745.db2.gz OAIHIRCFLAXHAA-UHFFFAOYSA-N 0 0 313.397 3.991 50 0 DHAARN CC(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000003611455 181040895 /nfs/dbraw/zinc/04/08/95/181040895.db2.gz CYPGVDKEKHPZNQ-UHFFFAOYSA-N 0 0 306.365 3.942 50 0 DHAARN CC(C)(C)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 ZINC000003613530 181040964 /nfs/dbraw/zinc/04/09/64/181040964.db2.gz WGMMIJAUFFXYHC-UHFFFAOYSA-N 0 0 315.388 3.818 50 0 DHAARN COc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000003818826 181047200 /nfs/dbraw/zinc/04/72/00/181047200.db2.gz CQOQDQWUFQDJMK-SSTWWWIQSA-N 0 0 302.414 3.618 50 0 endogenous,investigational DHAARN CCC(C(=O)Nc1ncccc1C)(C(F)(F)F)C(F)(F)F ZINC000003878982 181051837 /nfs/dbraw/zinc/05/18/37/181051837.db2.gz WNDPIDDXZFXVSE-UHFFFAOYSA-N 0 0 314.229 3.850 50 0 DHAARN CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000003907609 181055623 /nfs/dbraw/zinc/05/56/23/181055623.db2.gz CXNWEWWUZOXNMX-UHFFFAOYSA-N 0 0 310.328 3.753 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3O)on2)c1 ZINC000003908593 181056583 /nfs/dbraw/zinc/05/65/83/181056583.db2.gz JLVJXKPDWIWRQT-UHFFFAOYSA-N 0 0 322.320 3.502 50 0 DHAARN C[C@@H](NC(=O)c1cc(-c2cccc(O)c2)on1)c1ccccc1 ZINC000003908295 181056714 /nfs/dbraw/zinc/05/67/14/181056714.db2.gz JHOIIHREEAXVBM-GFCCVEGCSA-N 0 0 308.337 3.538 50 0 DHAARN CSc1ccccc1NC(=O)c1cc(-c2ccco2)on1 ZINC000003908420 181056747 /nfs/dbraw/zinc/05/67/47/181056747.db2.gz KJKWSUWHLDIQLB-UHFFFAOYSA-N 0 0 300.339 3.909 50 0 DHAARN O=C(NCCc1cccc(F)c1)Nc1cccc2cnccc21 ZINC000003817399 181047406 /nfs/dbraw/zinc/04/74/06/181047406.db2.gz WPIIYASKBNQAEY-UHFFFAOYSA-N 0 0 309.344 3.738 50 0 DHAARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(Cl)cc2)[nH]1 ZINC000003833700 181048027 /nfs/dbraw/zinc/04/80/27/181048027.db2.gz JPOAHTPGAUHZMG-ZZXKWVIFSA-N 0 0 300.667 3.613 50 0 DHAARN c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCCO4)C2 ZINC000004035058 181065152 /nfs/dbraw/zinc/06/51/52/181065152.db2.gz NVDWWSHDXUMSNQ-UHFFFAOYSA-N 0 0 324.405 3.630 50 0 aggregator DHAARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1OC ZINC000004035369 181065376 /nfs/dbraw/zinc/06/53/76/181065376.db2.gz OIDZZJDAVCXQOC-HNNXBMFYSA-N 0 0 313.401 3.804 50 0 DHAARN CCC(C)(C)NC(=O)C[C@H](c1ccc(OC)cc1)n1cccc1 ZINC000004034754 181065476 /nfs/dbraw/zinc/06/54/76/181065476.db2.gz GGLRNSBRNAKOOD-QGZVFWFLSA-N 0 0 314.429 3.781 50 0 DHAARN Cc1nc(-c2cc[nH]n2)cn1Cc1c(Cl)cccc1Cl ZINC000004002444 181061241 /nfs/dbraw/zinc/06/12/41/181061241.db2.gz DQCJEKGHQLLZPR-UHFFFAOYSA-N 0 0 307.184 3.937 50 0 DHAARN CSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 ZINC000004086631 181071357 /nfs/dbraw/zinc/07/13/57/181071357.db2.gz GOWWONBCIROBCM-UHFFFAOYSA-N 0 0 320.226 3.819 50 0 DHAARN COC(=O)c1cc2ccccc2n1Cc1ccc(Cl)nc1 ZINC000004051101 181067013 /nfs/dbraw/zinc/06/70/13/181067013.db2.gz FJIZPSDPHZDQDC-UHFFFAOYSA-N 0 0 300.745 3.525 50 0 DHAARN CCN(CCNC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000004056987 181067098 /nfs/dbraw/zinc/06/70/98/181067098.db2.gz DHXSBIDLCWKDPQ-UHFFFAOYSA-N 0 0 317.820 3.988 50 0 DHAARN Cc1cc2cc(CNC(=O)[C@@H](C)Oc3ccccc3)ccc2n1C ZINC000004061547 181068110 /nfs/dbraw/zinc/06/81/10/181068110.db2.gz OTWHUQHQHKWLSZ-OAHLLOKOSA-N 0 0 322.408 3.570 50 0 DHAARN Cc1cc2cc(CNC(=O)c3c(F)cccc3F)ccc2n1C ZINC000004061515 181068126 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Cc1ccc(NC(=O)c2ccc3nsnc3c2)c(Cl)c1 ZINC000015936492 182026104 /nfs/dbraw/zinc/02/61/04/182026104.db2.gz BLMNCHCGVKVYEB-UHFFFAOYSA-N 0 0 303.774 3.905 50 0 DHAARN CC(C)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000016125767 182034973 /nfs/dbraw/zinc/03/49/73/182034973.db2.gz JOQPFRLHWDJGMX-UHFFFAOYSA-N 0 0 311.353 3.889 50 0 DHAARN CCN(Cc1ccncc1)C(=S)Nc1ccc(F)cc1F ZINC000016215731 182037089 /nfs/dbraw/zinc/03/70/89/182037089.db2.gz SINWTGJSZZHPRR-UHFFFAOYSA-N 0 0 307.369 3.579 50 0 DHAARN CSc1cccc(NC(=O)N2CCCC3(CCOCC3)C2)c1 ZINC000266367006 205296785 /nfs/dbraw/zinc/29/67/85/205296785.db2.gz UJIKGEXCXNUARP-UHFFFAOYSA-N 0 0 320.458 3.833 50 0 DHAARN Cc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2C)cc1 ZINC000016311700 182039372 /nfs/dbraw/zinc/03/93/72/182039372.db2.gz KHEIHTKVCQFMNW-UHFFFAOYSA-N 0 0 317.352 3.601 50 0 DHAARN O=S(=O)(Cc1ccccc1Cl)Nc1ccc(F)c(F)c1 ZINC000016579100 182050087 /nfs/dbraw/zinc/05/00/87/182050087.db2.gz MILBWLMEKADXBP-UHFFFAOYSA-N 0 0 317.744 3.560 50 0 DHAARN CC[C@@H]1CCc2sc(C(=O)NCc3cccnc3)cc2C1 ZINC000016603539 182052585 /nfs/dbraw/zinc/05/25/85/182052585.db2.gz PUTNBRAJKCSEKK-GFCCVEGCSA-N 0 0 300.427 3.588 50 0 DHAARN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cn1 ZINC000016605071 182052700 /nfs/dbraw/zinc/05/27/00/182052700.db2.gz OXYVDFDGPBCXGM-ZDUSSCGKSA-N 0 0 304.777 3.840 50 0 DHAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000016605421 182053459 /nfs/dbraw/zinc/05/34/59/182053459.db2.gz AHQROKBKNOOVAW-ZDUSSCGKSA-N 0 0 308.740 3.670 50 0 DHAARN CC[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000016607447 182053465 /nfs/dbraw/zinc/05/34/65/182053465.db2.gz YPHIMNIUUAKASO-LLVKDONJSA-N 0 0 311.341 3.981 50 0 DHAARN CCCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000016649381 182056039 /nfs/dbraw/zinc/05/60/39/182056039.db2.gz LEQGXNVGPDUGCC-UHFFFAOYSA-N 0 0 310.397 3.777 50 0 DHAARN Cc1sc2[nH]c(=S)n(-c3ccccc3F)c(=O)c2c1C ZINC000017031336 182069036 /nfs/dbraw/zinc/06/90/36/182069036.db2.gz YHZZSHMKYGUDAW-UHFFFAOYSA-N 0 0 306.387 3.866 50 0 DHAARN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1F ZINC000017155980 182077780 /nfs/dbraw/zinc/07/77/80/182077780.db2.gz ARRXEGTUQGPADB-ZDUSSCGKSA-N 0 0 301.361 3.585 50 0 DHAARN O=c1c2ccccc2nc2sc(-c3ccccc3Cl)nn21 ZINC000017052596 182071275 /nfs/dbraw/zinc/07/12/75/182071275.db2.gz VQGBISKIYYBHTR-UHFFFAOYSA-N 0 0 313.769 3.625 50 0 DHAARN C[C@H](NC(=O)NCCc1ccccc1)c1ccccc1Cl ZINC000017115780 182075452 /nfs/dbraw/zinc/07/54/52/182075452.db2.gz HIVHGMUYSFVSMT-ZDUSSCGKSA-N 0 0 302.805 3.943 50 0 DHAARN CC(C)(C)Nc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000017112834 182075708 /nfs/dbraw/zinc/07/57/08/182075708.db2.gz KZRWILDJKOMJJN-UHFFFAOYSA-N 0 0 301.781 3.679 50 0 DHAARN Clc1cncc(OC/C=C/COc2cncc(Cl)c2)c1 ZINC000017117970 182075883 /nfs/dbraw/zinc/07/58/83/182075883.db2.gz HMWNNKBIFGLZLC-OWOJBTEDSA-N 0 0 311.168 3.797 50 0 DHAARN CC(C)CNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000017127731 182076637 /nfs/dbraw/zinc/07/66/37/182076637.db2.gz LYBHPJMZPALJHH-UHFFFAOYSA-N 0 0 305.381 3.683 50 0 biogenic DHAARN O=C(c1ccc(F)cc1Br)N1CCc2ccccc21 ZINC000017337363 182084100 /nfs/dbraw/zinc/08/41/00/182084100.db2.gz AAZWKPFPHTYLFQ-UHFFFAOYSA-N 0 0 320.161 3.791 50 0 DHAARN COc1ccccc1NC(=O)N1CCc2sccc2[C@@H]1C ZINC000017743182 182085730 /nfs/dbraw/zinc/08/57/30/182085730.db2.gz FCGLYNICVXEQNT-NSHDSACASA-N 0 0 302.399 3.908 50 0 DHAARN CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000017908522 182087768 /nfs/dbraw/zinc/08/77/68/182087768.db2.gz OZSHJGHIOWBUOI-NSHDSACASA-N 0 0 316.788 3.789 50 0 DHAARN Cc1cnc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)s1 ZINC000017198008 182079860 /nfs/dbraw/zinc/07/98/60/182079860.db2.gz IUMGCOBGWBQLLW-GFCCVEGCSA-N 0 0 310.831 3.884 50 0 DHAARN CCCNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017286235 182081005 /nfs/dbraw/zinc/08/10/05/182081005.db2.gz AZQKVMRFFMSHCR-UHFFFAOYSA-N 0 0 301.781 3.599 50 0 DHAARN CCn1cc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cn1 ZINC000018127108 182093758 /nfs/dbraw/zinc/09/37/58/182093758.db2.gz GGRPUDBZNPXHSQ-KOCGSPDRSA-N 0 0 315.461 3.516 50 0 DHAARN O=C1OC=C2Nc3ccccc3S[C@H](c3ccc(F)cc3)C12 ZINC000018010022 182089845 /nfs/dbraw/zinc/08/98/45/182089845.db2.gz OJTJLUVBIYGCFS-MRXNPFEDSA-N 0 0 313.353 3.896 50 0 DHAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 ZINC000018241375 182100196 /nfs/dbraw/zinc/10/01/96/182100196.db2.gz QHFXQWJKJKDJHS-FBIMIBRVSA-N 0 0 312.196 3.919 50 0 DHAARN Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)c2cccs2)n1 ZINC000019290029 182112710 /nfs/dbraw/zinc/11/27/10/182112710.db2.gz RFQNUOZCJDTRIB-GFCCVEGCSA-N 0 0 323.849 3.893 50 0 DHAARN CCCn1ncc(-c2ccnc(NCc3ccsc3)n2)c1C ZINC000019145041 182105946 /nfs/dbraw/zinc/10/59/46/182105946.db2.gz GSLYRDYZWXTFAR-UHFFFAOYSA-N 0 0 313.430 3.732 50 0 DHAARN CC[C@H](C(=O)OC)n1ccc(-c2cccc(-c3ccncc3)c2)n1 ZINC000019220473 182107976 /nfs/dbraw/zinc/10/79/76/182107976.db2.gz GNFSNAIADCCELG-GOSISDBHSA-N 0 0 321.380 3.736 50 0 DHAARN Cc1cc(NC(=O)c2ccc3nccnc3c2)c2ccccc2n1 ZINC000019229167 182108797 /nfs/dbraw/zinc/10/87/97/182108797.db2.gz DWOHRLJYNOJUEU-UHFFFAOYSA-N 0 0 314.348 3.739 50 0 DHAARN Cc1nc(C)c(C(=O)N2CCO[C@H](CC3CCCCC3)C2)s1 ZINC000019299776 182113710 /nfs/dbraw/zinc/11/37/10/182113710.db2.gz KGMVZKWJTCJPOK-OAHLLOKOSA-N 0 0 322.474 3.571 50 0 DHAARN CN1CCCN[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000019324408 182115620 /nfs/dbraw/zinc/11/56/20/182115620.db2.gz SROPGFFLPSJEKT-OAHLLOKOSA-N 0 0 321.218 3.633 50 0 DHAARN CCN(CC(=O)Nc1c(F)cccc1F)Cc1cccc(F)c1 ZINC000019540894 182129157 /nfs/dbraw/zinc/12/91/57/182129157.db2.gz PYERVGGCASQOCK-UHFFFAOYSA-N 0 0 322.330 3.565 50 0 DHAARN Cc1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000019736114 182139792 /nfs/dbraw/zinc/13/97/92/182139792.db2.gz WTMHQGDXTHDHKX-UHFFFAOYSA-N 0 0 312.413 3.892 50 0 DHAARN O=C(c1cccs1)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000097527801 193730561 /nfs/dbraw/zinc/73/05/61/193730561.db2.gz HMLYMTCCBWWCAR-SNVBAGLBSA-N 0 0 323.801 3.730 50 0 DHAARN CCOc1cccc(NC[C@H](C)Oc2ccc(OC)cc2)c1 ZINC000019738388 182141496 /nfs/dbraw/zinc/14/14/96/182141496.db2.gz AJYKVTZFCSHJJR-AWEZNQCLSA-N 0 0 301.386 3.973 50 0 DHAARN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736522 182140534 /nfs/dbraw/zinc/14/05/34/182140534.db2.gz DUQLBTYXWKVDRS-NSHDSACASA-N 0 0 318.804 3.891 50 0 DHAARN Cc1cc(OCC(=O)Nc2ccc(N)cc2C)ccc1Cl ZINC000019736345 182140994 /nfs/dbraw/zinc/14/09/94/182140994.db2.gz PFHDDFNOSQBMLA-UHFFFAOYSA-N 0 0 304.777 3.557 50 0 DHAARN CC(C)Cn1c2ccccc2n(CCOc2ccccc2)c1=N ZINC000019798424 182151219 /nfs/dbraw/zinc/15/12/19/182151219.db2.gz XPGIWCCAISCGRG-UHFFFAOYSA-N 0 0 309.413 3.657 50 0 DHAARN O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccccc1 ZINC000019908361 182163229 /nfs/dbraw/zinc/16/32/29/182163229.db2.gz UEACFOXOVJLGLS-XNTDXEJSSA-N 0 0 311.362 3.629 50 0 DHAARN Cc1ccc(-n2cnc(C(=O)Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000019910562 182163646 /nfs/dbraw/zinc/16/36/46/182163646.db2.gz VWZCQRGYMQTUPI-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN COc1ccc(CNc2ccc(Br)cc2)cc1O ZINC000019922975 182164321 /nfs/dbraw/zinc/16/43/21/182164321.db2.gz JLNYUYMDYDGNCT-UHFFFAOYSA-N 0 0 308.175 3.775 50 0 DHAARN CCc1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000019943679 182168517 /nfs/dbraw/zinc/16/85/17/182168517.db2.gz LQFRYFGDKCUCRL-UHFFFAOYSA-N 0 0 319.426 3.675 50 0 DHAARN CCc1nc(SCC(=O)Nc2ccccc2Cl)[nH]c1C ZINC000020095066 182186157 /nfs/dbraw/zinc/18/61/57/182186157.db2.gz XEUXIBXMFQPHBY-UHFFFAOYSA-N 0 0 309.822 3.665 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3F)c2c1 ZINC000020081866 182185422 /nfs/dbraw/zinc/18/54/22/182185422.db2.gz FGXIREOMCJAYFH-UHFFFAOYSA-N 0 0 311.360 3.980 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccc3F)c2c1 ZINC000020081869 182185469 /nfs/dbraw/zinc/18/54/69/182185469.db2.gz XFPIUPCQQQOWOQ-VQHVLOKHSA-N 0 0 322.383 3.988 50 0 DHAARN CCOC(=O)c1c(C)oc2ncnc(Nc3ccc(F)cc3)c21 ZINC000020330141 182208558 /nfs/dbraw/zinc/20/85/58/182208558.db2.gz ZLOXHSABOKJMKY-UHFFFAOYSA-N 0 0 315.304 3.591 50 0 DHAARN O=C(NCCc1ccc(F)cc1)Nc1ccc(Cl)cc1F ZINC000020457685 182220174 /nfs/dbraw/zinc/22/01/74/182220174.db2.gz QGEILCUFYXWLKF-UHFFFAOYSA-N 0 0 310.731 3.982 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2c1 ZINC000020516830 182226798 /nfs/dbraw/zinc/22/67/98/182226798.db2.gz VSGRLDDXQSJKBD-GZBFAFLISA-N 0 0 315.417 3.760 50 0 DHAARN CCn1ncc2c1nc(-c1ccc(O)cc1)cc2C(F)(F)F ZINC000020615830 182239547 /nfs/dbraw/zinc/23/95/47/182239547.db2.gz GAMKPGBBEBZNEA-UHFFFAOYSA-N 0 0 307.275 3.843 50 0 DHAARN CCOC(=O)c1c(C)oc2ncnc(N[C@@H]3CCCC[C@H]3C)c21 ZINC000020575340 182234613 /nfs/dbraw/zinc/23/46/13/182234613.db2.gz OPTQOZFYFVIUIA-ZYHUDNBSSA-N 0 0 317.389 3.699 50 0 DHAARN CCCc1c(C)nc2ncnn2c1Nc1ccc(OCC)cc1 ZINC000020595790 182236359 /nfs/dbraw/zinc/23/63/59/182236359.db2.gz FGQXDCZNBGKXEK-UHFFFAOYSA-N 0 0 311.389 3.528 50 0 DHAARN COC(=O)c1cnc(NCc2ccc(F)cc2)c2ccccc12 ZINC000020604749 182237115 /nfs/dbraw/zinc/23/71/15/182237115.db2.gz NFHVNZBRZCKPTJ-UHFFFAOYSA-N 0 0 310.328 3.773 50 0 DHAARN Cn1cc(-c2cc(C(F)(F)F)c3c(n2)onc3C2CC2)cn1 ZINC000020605796 182237934 /nfs/dbraw/zinc/23/79/34/182237934.db2.gz MCXAKCDSSBJREK-UHFFFAOYSA-N 0 0 308.263 3.520 50 0 DHAARN CCCCn1nc(C)c(C(=O)NCc2cccs2)c1Cl ZINC000020910511 182253883 /nfs/dbraw/zinc/25/38/83/182253883.db2.gz IOQJCMXQZDOLLJ-UHFFFAOYSA-N 0 0 311.838 3.637 50 0 DHAARN O=C1CS[C@@H](c2ccc(C(F)(F)F)cc2)c2c[nH]nc2N1 ZINC000020739456 182245370 /nfs/dbraw/zinc/24/53/70/182245370.db2.gz IPGPXGSAKGVSDG-NSHDSACASA-N 0 0 313.304 3.853 50 0 DHAARN COc1ccc2c(ccn2CC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000020761626 182246522 /nfs/dbraw/zinc/24/65/22/182246522.db2.gz ZVEUYBGDMMBBJZ-HNNXBMFYSA-N 0 0 316.445 3.981 50 0 biogenic DHAARN Cc1ccc(-c2nc3nc(C)cc(N4CCCCCC4)n3n2)cc1 ZINC000020853345 182249415 /nfs/dbraw/zinc/24/94/15/182249415.db2.gz JDXWURLCHRHDFX-UHFFFAOYSA-N 0 0 321.428 3.789 50 0 DHAARN COc1ccc(NC(=O)c2nc3ccccc3nc2Cl)cc1 ZINC000020853903 182249616 /nfs/dbraw/zinc/24/96/16/182249616.db2.gz PACLEQGQCBHCKU-UHFFFAOYSA-N 0 0 313.744 3.544 50 0 DHAARN Cc1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020888995 182251439 /nfs/dbraw/zinc/25/14/39/182251439.db2.gz SZYRMQLWKOBXEB-CQSZACIVSA-N 0 0 321.380 3.844 50 0 DHAARN Clc1ccc(Cl)c(-c2ccc(CNc3nc[nH]n3)o2)c1 ZINC000020877627 182251817 /nfs/dbraw/zinc/25/18/17/182251817.db2.gz LZQLARPTKYVINT-UHFFFAOYSA-N 0 0 309.156 3.984 50 0 DHAARN O=C(Nc1nc2c(s1)CCCC2)Nc1cc(F)ccc1F ZINC000021087782 182264519 /nfs/dbraw/zinc/26/45/19/182264519.db2.gz HSXDLRWJJSQEAJ-UHFFFAOYSA-N 0 0 309.341 3.944 50 0 DHAARN O=C(CN1CCSc2ccccc21)NC1CCCCCCC1 ZINC000021093533 182264755 /nfs/dbraw/zinc/26/47/55/182264755.db2.gz QCDJPOXVMCWIAU-UHFFFAOYSA-N 0 0 318.486 3.828 50 0 DHAARN Cc1cc2n(n1)CCCN2C(=O)Nc1cccc(Cl)c1C ZINC000020944344 182255741 /nfs/dbraw/zinc/25/57/41/182255741.db2.gz KMCIXZJFFMOCPB-UHFFFAOYSA-N 0 0 304.781 3.596 50 0 DHAARN O=c1c2ccc[nH]c-2c(Nc2ccc(F)cc2)n1-c1ccccc1 ZINC000021108135 182265325 /nfs/dbraw/zinc/26/53/25/182265325.db2.gz NXXFUTMGJPHDKF-SFHVURJKSA-N 0 0 319.339 3.992 50 0 DHAARN COC(=O)c1ccc(-c2ccc(C(=O)OC)c(Cl)c2)cc1F ZINC000097757174 193754751 /nfs/dbraw/zinc/75/47/51/193754751.db2.gz CXTRWINSAFFQKY-UHFFFAOYSA-N 0 0 322.719 3.719 50 0 DHAARN C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1Cl ZINC000021473678 182274433 /nfs/dbraw/zinc/27/44/33/182274433.db2.gz IOZLNZNWBCDMQO-JTQLQIEISA-N 0 0 313.781 3.519 50 0 DHAARN Cc1c(Cl)c(CSc2nncn2C)nc2ccccc12 ZINC000021494194 182275110 /nfs/dbraw/zinc/27/51/10/182275110.db2.gz KDLVDMWBIWVXNB-UHFFFAOYSA-N 0 0 304.806 3.617 50 0 DHAARN Cc1ccccc1NC(=O)NCCN1CCCc2ccccc21 ZINC000021148898 182266887 /nfs/dbraw/zinc/26/68/87/182266887.db2.gz CJQRJKHPCZBXFP-UHFFFAOYSA-N 0 0 309.413 3.569 50 0 DHAARN Cc1ccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCC4)cc1 ZINC000021151106 182267276 /nfs/dbraw/zinc/26/72/76/182267276.db2.gz FRBQSTCRVQEZTH-UHFFFAOYSA-N 0 0 318.376 3.578 50 0 DHAARN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C)cc3C)CC2=O)cc1 ZINC000021321299 182271466 /nfs/dbraw/zinc/27/14/66/182271466.db2.gz JASQUPSUFWFYGO-INIZCTEOSA-N 0 0 323.392 3.570 50 0 DHAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)no1 ZINC000021718939 182285468 /nfs/dbraw/zinc/28/54/68/182285468.db2.gz BGBMFAIANINBKY-CQSZACIVSA-N 0 0 317.389 3.887 50 0 DHAARN CC1=C(C(=O)NC2CCC(C)CC2)C2(CCCCCC2)OC1=O ZINC000021529547 182279277 /nfs/dbraw/zinc/27/92/77/182279277.db2.gz WDGVMGCADCHWDF-UHFFFAOYSA-N 0 0 319.445 3.648 50 0 biogenic DHAARN CCOc1ccccc1CNc1nc(-c2ccccc2F)no1 ZINC000021630154 182281251 /nfs/dbraw/zinc/28/12/51/182281251.db2.gz LEWBDRDHTSMWMY-UHFFFAOYSA-N 0 0 313.332 3.887 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(Nc2ccccc2F)n1 ZINC000021644904 182282295 /nfs/dbraw/zinc/28/22/95/182282295.db2.gz WELGYVNCJDUOMU-UHFFFAOYSA-N 0 0 311.316 3.689 50 0 DHAARN COc1ccccc1-c1noc2ncnc(NC3CCCC3)c12 ZINC000021715043 182284662 /nfs/dbraw/zinc/28/46/62/182284662.db2.gz NDXBPFZMXQCEDP-UHFFFAOYSA-N 0 0 310.357 3.648 50 0 DHAARN C[C@H]1CNc2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000021793422 182289817 /nfs/dbraw/zinc/28/98/17/182289817.db2.gz MPBIKFGCPVQWFM-LBPRGKRZSA-N 0 0 300.789 3.935 50 0 DHAARN CCC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000021928902 182298530 /nfs/dbraw/zinc/29/85/30/182298530.db2.gz XWJZBNNRZFARKY-INIZCTEOSA-N 0 0 313.397 3.975 50 0 DHAARN COc1cc(Cl)c(C)cc1NCC(=O)NC1CCCCCC1 ZINC000021890637 182297059 /nfs/dbraw/zinc/29/70/59/182297059.db2.gz SMFUMYLNKBRUAK-UHFFFAOYSA-N 0 0 324.852 3.908 50 0 DHAARN COCCCNC(=O)c1ccccc1Nc1cccc(C)c1C ZINC000021896257 182297290 /nfs/dbraw/zinc/29/72/90/182297290.db2.gz HLDUEBBHCWFBSA-UHFFFAOYSA-N 0 0 312.413 3.813 50 0 DHAARN Cc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000022411790 182320892 /nfs/dbraw/zinc/32/08/92/182320892.db2.gz NGUHQMJJFRLOQH-NSHDSACASA-N 0 0 308.303 3.900 50 0 DHAARN CC(=O)Nc1c(N)cc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000022636396 182329110 /nfs/dbraw/zinc/32/91/10/182329110.db2.gz MFDVPXTZYJATOG-UHFFFAOYSA-N 0 0 302.333 3.592 50 0 DHAARN Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000022417970 182321650 /nfs/dbraw/zinc/32/16/50/182321650.db2.gz BCEKLQDXSPPONT-UHFFFAOYSA-N 0 0 323.314 3.866 50 0 DHAARN Cc1cccnc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000022432358 182321692 /nfs/dbraw/zinc/32/16/92/182321692.db2.gz VLHZCCUXMBAKMG-UHFFFAOYSA-N 0 0 304.777 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IUDHYFIOWJQENF-UHFFFAOYSA-N 0 0 313.353 3.551 50 0 DHAARN Cc1nc2ccc(NC(=O)[C@@H](C)n3cnc4ccccc43)cc2o1 ZINC000058357443 184108825 /nfs/dbraw/zinc/10/88/25/184108825.db2.gz GYTALRCPRVKEAP-LLVKDONJSA-N 0 0 320.352 3.686 50 0 DHAARN COc1ccc(N(C)C(=O)C2(c3cc(C)cc(C)c3)CCC2)cn1 ZINC000058269902 184098322 /nfs/dbraw/zinc/09/83/22/184098322.db2.gz DQEARIQJQJDQCZ-UHFFFAOYSA-N 0 0 324.424 3.792 50 0 DHAARN COc1ccccc1-c1noc(CSc2ccc(O)cc2)n1 ZINC000058278688 184098416 /nfs/dbraw/zinc/09/84/16/184098416.db2.gz KLQNOLCTBSUABS-UHFFFAOYSA-N 0 0 314.366 3.743 50 0 DHAARN COc1ccccc1CC(=O)Nc1cccc(OC(F)F)c1C ZINC000058305136 184103390 /nfs/dbraw/zinc/10/33/90/184103390.db2.gz HBRRLXJZKDVFEX-UHFFFAOYSA-N 0 0 321.323 3.786 50 0 DHAARN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000058309127 184103780 /nfs/dbraw/zinc/10/37/80/184103780.db2.gz MDGRBKRVPBBTPC-SWLSCSKDSA-N 0 0 321.829 3.644 50 0 DHAARN COc1cccnc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000058323700 184105177 /nfs/dbraw/zinc/10/51/77/184105177.db2.gz JVRRKJXOCGPXGC-UHFFFAOYSA-N 0 0 315.131 3.788 50 0 DHAARN Cn1cc(C(=O)Nc2ccc3ncccc3c2)c2ccccc21 ZINC000058329040 184106231 /nfs/dbraw/zinc/10/62/31/184106231.db2.gz RLGISVCOYYOQLN-UHFFFAOYSA-N 0 0 301.349 3.979 50 0 DHAARN O=C(OC/C=C/c1ccccc1)C1(c2ccccc2)CCOCC1 ZINC000058765747 184128557 /nfs/dbraw/zinc/12/85/57/184128557.db2.gz HCOPLQGEUICFLL-JXMROGBWSA-N 0 0 322.404 3.991 50 0 DHAARN O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000058418818 184115420 /nfs/dbraw/zinc/11/54/20/184115420.db2.gz AZQFNKYMBRLIAG-MAUKXSAKSA-N 0 0 321.424 3.938 50 0 DHAARN COc1ccc(C(=O)Nc2cnc3ccccc3c2)c(OC)c1 ZINC000058441084 184118761 /nfs/dbraw/zinc/11/87/61/184118761.db2.gz KFSJVCDOWUUZOJ-UHFFFAOYSA-N 0 0 308.337 3.504 50 0 DHAARN COc1cccc(NC(=S)N2CCC(n3cccc3)CC2)c1 ZINC000058468403 184119528 /nfs/dbraw/zinc/11/95/28/184119528.db2.gz VPNKRGHBVNSWEL-UHFFFAOYSA-N 0 0 315.442 3.531 50 0 DHAARN CCSc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000058635246 184125681 /nfs/dbraw/zinc/12/56/81/184125681.db2.gz GMYCOVSIUDMBBW-BETUJISGSA-N 0 0 320.462 3.514 50 0 DHAARN Cc1ccc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000059369205 184137774 /nfs/dbraw/zinc/13/77/74/184137774.db2.gz AKMVKJGKSXYJAK-UHFFFAOYSA-N 0 0 321.380 3.768 50 0 DHAARN CCN(Cc1nc(-c2ccco2)no1)Cc1c(F)cccc1F ZINC000059409897 184138283 /nfs/dbraw/zinc/13/82/83/184138283.db2.gz VYBLBQGVTWZDPV-UHFFFAOYSA-N 0 0 319.311 3.630 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c(C)c1 ZINC000059740580 184140503 /nfs/dbraw/zinc/14/05/03/184140503.db2.gz YNMFJAIXVCVUFS-OAHLLOKOSA-N 0 0 316.445 3.527 50 0 DHAARN C[C@H]1CCN(C(=O)[C@H]2CCOC2)c2cc(Cl)ccc2S1 ZINC000060129468 184144505 /nfs/dbraw/zinc/14/45/05/184144505.db2.gz NYDGYWVTDGJIQH-QWRGUYRKSA-N 0 0 311.834 3.594 50 0 DHAARN O=C(NCc1nc2ccccc2s1)c1cccc2cccnc21 ZINC000060611832 184152946 /nfs/dbraw/zinc/15/29/46/184152946.db2.gz YXLOTVOZHWLWSY-UHFFFAOYSA-N 0 0 319.389 3.775 50 0 DHAARN CC(C)(C)c1ccc(COc2cccc(S(C)(=O)=O)c2)cc1 ZINC000060814915 184155698 /nfs/dbraw/zinc/15/56/98/184155698.db2.gz NHUCCZOYCFIDJA-UHFFFAOYSA-N 0 0 318.438 3.967 50 0 DHAARN CC(C)Sc1ncccc1C(=O)N[C@H](C)Cc1ccco1 ZINC000061137327 184163243 /nfs/dbraw/zinc/16/32/43/184163243.db2.gz ICZUWXDZEPZRPN-GFCCVEGCSA-N 0 0 304.415 3.536 50 0 DHAARN O=C(OC/C=C/c1ccccc1)c1cncn1-c1ccccc1 ZINC000060583361 184152416 /nfs/dbraw/zinc/15/24/16/184152416.db2.gz GTSHELRNJGFIGZ-JXMROGBWSA-N 0 0 304.349 3.743 50 0 DHAARN CC[C@@H]1Oc2ccc(OCc3cccc(F)c3)cc2NC1=O ZINC000061997483 184200313 /nfs/dbraw/zinc/20/03/13/184200313.db2.gz HNYNNXFMJHSELS-HNNXBMFYSA-N 0 0 301.317 3.514 50 0 DHAARN Cc1cc(NC(=O)N(C)Cc2ccccn2)ccc1N1CCCC1 ZINC000062249541 184225650 /nfs/dbraw/zinc/22/56/50/184225650.db2.gz GDHJUJQRUADTJJ-UHFFFAOYSA-N 0 0 324.428 3.654 50 0 DHAARN C[C@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000062927478 184260689 /nfs/dbraw/zinc/26/06/89/184260689.db2.gz HBZJGHOKYVTRDI-LBPRGKRZSA-N 0 0 323.820 3.764 50 0 DHAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccccc1 ZINC000064438955 184297117 /nfs/dbraw/zinc/29/71/17/184297117.db2.gz FYYONISRHIVSNV-UHFFFAOYSA-N 0 0 321.380 3.898 50 0 DHAARN COc1ccc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)cc1 ZINC000064579913 184300591 /nfs/dbraw/zinc/30/05/91/184300591.db2.gz QMLNNAGAKBHZPI-INIZCTEOSA-N 0 0 317.335 3.951 50 0 DHAARN Cc1ccsc1CN(CC(C)C)C(=O)Cc1cccnc1 ZINC000063856706 184289640 /nfs/dbraw/zinc/28/96/40/184289640.db2.gz RGYRNQSQLMVURN-UHFFFAOYSA-N 0 0 302.443 3.679 50 0 DHAARN Cc1cnc(N[C@@H]2CCCc3ccccc32)nc1-c1cnn(C)c1 ZINC000063855414 184289739 /nfs/dbraw/zinc/28/97/39/184289739.db2.gz BWOGBGKFKSPIDI-QGZVFWFLSA-N 0 0 319.412 3.675 50 0 DHAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc(C)no3)cc2)cc1 ZINC000064580038 184300657 /nfs/dbraw/zinc/30/06/57/184300657.db2.gz JDVMIPNSEMOGIU-UHFFFAOYSA-N 0 0 323.352 3.696 50 0 DHAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)on1 ZINC000064985190 184307734 /nfs/dbraw/zinc/30/77/34/184307734.db2.gz SRLZZDZKUNHJNR-CQSZACIVSA-N 0 0 321.327 3.884 50 0 DHAARN CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)cc1 ZINC000065118443 184310753 /nfs/dbraw/zinc/31/07/53/184310753.db2.gz TUMKTDSOYMSMDJ-UHFFFAOYSA-N 0 0 315.373 3.888 50 0 DHAARN Cc1ccc(C(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1C ZINC000065148765 184311481 /nfs/dbraw/zinc/31/14/81/184311481.db2.gz UUZJXEYAPZHKGA-UHFFFAOYSA-N 0 0 318.420 3.994 50 0 DHAARN CC(C)Cn1cc(CCNC(=O)C2CCCC2)c2cccnc21 ZINC000065163954 184313318 /nfs/dbraw/zinc/31/33/18/184313318.db2.gz KBCIVCNWHQGCPY-UHFFFAOYSA-N 0 0 313.445 3.541 50 0 DHAARN COc1ccc(-c2ncccc2CNC(=O)C2CCCCC2)cc1 ZINC000065171150 184313601 /nfs/dbraw/zinc/31/36/01/184313601.db2.gz GREKDWXPMVJGQD-UHFFFAOYSA-N 0 0 324.424 3.954 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)c1ccc(-c2cncnc2)nc1 ZINC000065177938 184313956 /nfs/dbraw/zinc/31/39/56/184313956.db2.gz VBUJCKYZPMAABT-UHFFFAOYSA-N 0 0 324.771 3.753 50 0 DHAARN Cc1ccc(F)cc1N1Cc2cc(Cl)ccc2OCC1=O ZINC000065184563 184314007 /nfs/dbraw/zinc/31/40/07/184314007.db2.gz AVBLJXJDKJJERY-UHFFFAOYSA-N 0 0 305.736 3.713 50 0 DHAARN C[C@H](c1ccccc1)N1Cc2cc(Cl)ccc2OCC1=O ZINC000065184394 184314099 /nfs/dbraw/zinc/31/40/99/184314099.db2.gz FGWKOSJAXMHNJF-GFCCVEGCSA-N 0 0 301.773 3.822 50 0 DHAARN Cc1nc(Nc2ccccc2)sc1C(=O)NC1CCCC1 ZINC000065184585 184314190 /nfs/dbraw/zinc/31/41/90/184314190.db2.gz WGEMMOUYXSWEJP-UHFFFAOYSA-N 0 0 301.415 3.868 50 0 DHAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C)c3C)cn2)n1 ZINC000065196794 184314196 /nfs/dbraw/zinc/31/41/96/184314196.db2.gz XXHVYRPMCATSOZ-UHFFFAOYSA-N 0 0 320.396 3.753 50 0 DHAARN O=C(Cc1nnc(-c2ccsc2)o1)Nc1ccccc1Cl ZINC000065214181 184314812 /nfs/dbraw/zinc/31/48/12/184314812.db2.gz YYMUVWDVLRDHKB-UHFFFAOYSA-N 0 0 319.773 3.633 50 0 DHAARN Cc1ccc(-c2cn3ccn(-c4cccc(F)c4)c(=O)c3n2)cc1 ZINC000064670260 184302155 /nfs/dbraw/zinc/30/21/55/184302155.db2.gz IEVJIJAHNPKBHW-UHFFFAOYSA-N 0 0 319.339 3.600 50 0 DHAARN CCc1cc([C@H]2CCCN2Cc2ccc(OC)c(OC)c2)on1 ZINC000064667029 184302263 /nfs/dbraw/zinc/30/22/63/184302263.db2.gz IICVSBURKSDSOI-OAHLLOKOSA-N 0 0 316.401 3.591 50 0 DHAARN Cc1ccccc1-c1cn2ccn(-c3cccc(F)c3)c(=O)c2n1 ZINC000064675438 184302350 /nfs/dbraw/zinc/30/23/50/184302350.db2.gz NPXDWHCWWMOLLT-UHFFFAOYSA-N 0 0 319.339 3.600 50 0 DHAARN O=C1C[C@H](c2ccccc2)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000064667232 184302380 /nfs/dbraw/zinc/30/23/80/184302380.db2.gz OSMQUYLOJWPOLB-OAHLLOKOSA-N 0 0 323.783 4.000 50 0 DHAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@H]3c2cccc(F)c2)cc1 ZINC000064667293 184302410 /nfs/dbraw/zinc/30/24/10/184302410.db2.gz XDQNBHSDBKZPSP-MRXNPFEDSA-N 0 0 321.355 3.794 50 0 DHAARN Cc1ccc(CNC(=O)c2ccc(-c3csc(C)n3)cc2)o1 ZINC000064677390 184302509 /nfs/dbraw/zinc/30/25/09/184302509.db2.gz WFSZMRRQUTVTED-UHFFFAOYSA-N 0 0 312.394 3.950 50 0 DHAARN Cc1cc(NCc2noc(C(C)C)n2)nc(-c2ccccc2)n1 ZINC000065387046 184333861 /nfs/dbraw/zinc/33/38/61/184333861.db2.gz GLDVZPBYKBJVFA-UHFFFAOYSA-N 0 0 309.373 3.571 50 0 DHAARN CC[C@H](c1nc(-c2ccc3nnn(C)c3c2)no1)c1ccccc1 ZINC000065240463 184317192 /nfs/dbraw/zinc/31/71/92/184317192.db2.gz CKRXWXSLTYHTAM-AWEZNQCLSA-N 0 0 319.368 3.560 50 0 DHAARN Cc1ccc(-c2nc(-c3ccc4ncn(C)c4c3)no2)cc1C ZINC000065240589 184317714 /nfs/dbraw/zinc/31/77/14/184317714.db2.gz BRQWDGFWOMYVKS-UHFFFAOYSA-N 0 0 304.353 3.907 50 0 DHAARN Cc1oc(C2CCC2)nc1C(=O)N1CCC[C@H]1c1cccnc1 ZINC000065293570 184323715 /nfs/dbraw/zinc/32/37/15/184323715.db2.gz BOECFNWNHVVZOC-HNNXBMFYSA-N 0 0 311.385 3.623 50 0 DHAARN Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1C ZINC000065362479 184328365 /nfs/dbraw/zinc/32/83/65/184328365.db2.gz OISSCPJTDMHXJX-KRWDZBQOSA-N 0 0 317.392 3.963 50 0 DHAARN Cc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1 ZINC000065361989 184328573 /nfs/dbraw/zinc/32/85/73/184328573.db2.gz LUQYDRUPLSXGKA-INIZCTEOSA-N 0 0 303.365 3.655 50 0 DHAARN O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CC=CC1 ZINC000065382340 184332902 /nfs/dbraw/zinc/33/29/02/184332902.db2.gz DYOMHONSIBOPDJ-UHFFFAOYSA-N 0 0 324.327 3.841 50 0 DHAARN Cc1nc(CN(C)C(=O)c2sc(C(C)C)nc2C)cs1 ZINC000065405733 184338865 /nfs/dbraw/zinc/33/88/65/184338865.db2.gz KDSZEVPOAWTVDJ-UHFFFAOYSA-N 0 0 309.460 3.612 50 0 DHAARN Cc1cc2cc(C(=O)NCCCn3nccc3C3CC3)ccc2o1 ZINC000065408071 184339569 /nfs/dbraw/zinc/33/95/69/184339569.db2.gz DMDPHSCYXJANIS-UHFFFAOYSA-N 0 0 323.396 3.635 50 0 DHAARN CC(C)c1nc([C@@H]2CSCN2C)n(-c2cccc(Cl)c2)n1 ZINC000065431407 184343926 /nfs/dbraw/zinc/34/39/26/184343926.db2.gz VDRMKIZAKGXGMS-ZDUSSCGKSA-N 0 0 322.865 3.721 50 0 DHAARN CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCc1nn[nH]n1 ZINC000065460196 184348888 /nfs/dbraw/zinc/34/88/88/184348888.db2.gz QFZDSLQQQGLHGQ-CQSZACIVSA-N 0 0 324.432 3.600 50 0 DHAARN Cc1csc([C@H]2CN(c3nc4ccccc4s3)CCO2)n1 ZINC000065466139 184349914 /nfs/dbraw/zinc/34/99/14/184349914.db2.gz PBXWGNDSEBNSOY-GFCCVEGCSA-N 0 0 317.439 3.639 50 0 DHAARN COC(=O)CCCn1cnc(-c2ccccc2)c1-c1ccco1 ZINC000065464873 184350276 /nfs/dbraw/zinc/35/02/76/184350276.db2.gz PSCOTVITUNZZBL-UHFFFAOYSA-N 0 0 310.353 3.763 50 0 DHAARN C[C@H](c1ccccc1F)N(C)C(=O)c1ccnc(NC2CC2)c1 ZINC000065474534 184351327 /nfs/dbraw/zinc/35/13/27/184351327.db2.gz DHBMOIGOBNLHKN-GFCCVEGCSA-N 0 0 313.376 3.628 50 0 DHAARN COc1ccc(N(C)C(=O)c2cc3c(s2)CCCCC3)cn1 ZINC000065475253 184352109 /nfs/dbraw/zinc/35/21/09/184352109.db2.gz VPVIAGHSLKAZCV-UHFFFAOYSA-N 0 0 316.426 3.697 50 0 DHAARN CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccccc1F ZINC000065478843 184352696 /nfs/dbraw/zinc/35/26/96/184352696.db2.gz UZAHCUBBTODLPW-ZDUSSCGKSA-N 0 0 318.440 3.599 50 0 DHAARN Cc1nc(-c2ccccc2)sc1Cn1cc2[nH]cccc-2c1=O ZINC000065396455 184335421 /nfs/dbraw/zinc/33/54/21/184335421.db2.gz JREMPOCDLCJQFP-UHFFFAOYSA-N 0 0 321.405 3.670 50 0 DHAARN CC(=O)Nc1ccc(-c2nc(C3CC3)nn2-c2ccccc2)cc1 ZINC000065527110 184360291 /nfs/dbraw/zinc/36/02/91/184360291.db2.gz BNKZNURBXIELBA-UHFFFAOYSA-N 0 0 318.380 3.770 50 0 DHAARN Cc1nc(C2(NC(=O)Nc3cccc(Cl)c3)CCCC2)no1 ZINC000065530863 184360853 /nfs/dbraw/zinc/36/08/53/184360853.db2.gz UPBCESWHQBDSRP-UHFFFAOYSA-N 0 0 320.780 3.622 50 0 DHAARN Cc1ccsc1[C@@H]1CCN(Cc2coc(C(C)C)n2)C[C@H]1O ZINC000065530942 184361132 /nfs/dbraw/zinc/36/11/32/184361132.db2.gz YTICIZNKKPAZIE-HUUCEWRRSA-N 0 0 320.458 3.518 50 0 DHAARN COCc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC000065610936 184373151 /nfs/dbraw/zinc/37/31/51/184373151.db2.gz BACZEWCNPAJJSA-HZPDHXFCSA-N 0 0 315.438 3.623 50 0 DHAARN O=C(OC/C=C/c1ccccc1)c1cccn1Cc1ccncc1 ZINC000065565257 184366432 /nfs/dbraw/zinc/36/64/32/184366432.db2.gz URDZYJWOZYRJGP-VMPITWQZSA-N 0 0 318.376 3.802 50 0 DHAARN CC[C@@H](C)[C@@H](NC(=O)CC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000065590623 184369853 /nfs/dbraw/zinc/36/98/53/184369853.db2.gz RUOLLNNGVRSGNN-NOZJJQNGSA-N 0 0 313.323 3.719 50 0 DHAARN Cc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)c1cccnc1 ZINC000065593157 184370310 /nfs/dbraw/zinc/37/03/10/184370310.db2.gz PEBXKOYHIVCMFN-CQSZACIVSA-N 0 0 322.412 3.767 50 0 DHAARN Cc1cc(C(=O)N2CC3(CCCC3)c3c2cccc3F)on1 ZINC000065606704 184372103 /nfs/dbraw/zinc/37/21/03/184372103.db2.gz LSHVIVQZPWIMPP-UHFFFAOYSA-N 0 0 300.333 3.594 50 0 DHAARN Cc1ccc(-c2noc(CN3CCC[C@H]3c3ccc[nH]3)n2)cc1 ZINC000065607216 184372119 /nfs/dbraw/zinc/37/21/19/184372119.db2.gz BMYFVCWSHQQKIH-INIZCTEOSA-N 0 0 308.385 3.710 50 0 DHAARN Cc1ccc([C@H]2C[C@@H]2C(=O)N(Cc2ccncc2)C2CC2)s1 ZINC000065607083 184372175 /nfs/dbraw/zinc/37/21/75/184372175.db2.gz QISHWZOJYWPSCG-HOTGVXAUSA-N 0 0 312.438 3.746 50 0 DHAARN CSc1ccccc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C ZINC000065607359 184372328 /nfs/dbraw/zinc/37/23/28/184372328.db2.gz MMTQZKUDIBJTBG-JTQLQIEISA-N 0 0 318.446 3.642 50 0 DHAARN O=C(c1occc1-c1ccccc1)N1CCC[C@@H](n2cccn2)C1 ZINC000065609532 184372484 /nfs/dbraw/zinc/37/24/84/184372484.db2.gz KLZDNWJQFRXNGW-MRXNPFEDSA-N 0 0 321.380 3.620 50 0 DHAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000065608740 184372665 /nfs/dbraw/zinc/37/26/65/184372665.db2.gz ZCAOTESNVIVLEY-HNNXBMFYSA-N 0 0 309.413 3.592 50 0 DHAARN CC(C)(C)OCc1cccc(CNC(=O)CC[C@@H]2CCCO2)c1 ZINC000065626239 184376017 /nfs/dbraw/zinc/37/60/17/184376017.db2.gz UYNBORVXMYMDKY-KRWDZBQOSA-N 0 0 319.445 3.577 50 0 DHAARN COc1cccc(Cc2nnc(SCc3ccccc3)o2)c1 ZINC000066257170 184399131 /nfs/dbraw/zinc/39/91/31/184399131.db2.gz GUOSEPYCUGZMAT-UHFFFAOYSA-N 0 0 312.394 3.961 50 0 DHAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067502616 184470111 /nfs/dbraw/zinc/47/01/11/184470111.db2.gz LUBWXTIURTXCJI-MJGOQNOKSA-N 0 0 304.393 3.773 50 0 DHAARN Cc1ncn(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)n1 ZINC000067724210 184482510 /nfs/dbraw/zinc/48/25/10/184482510.db2.gz XKIWICUGIJGXCN-UHFFFAOYSA-N 0 0 322.290 3.617 50 0 DHAARN O=C([C@H]1C[C@@H]1c1ccccc1Br)N1CCCCC1 ZINC000069416815 184513008 /nfs/dbraw/zinc/51/30/08/184513008.db2.gz NZTSFBQGQSVEHI-OLZOCXBDSA-N 0 0 308.219 3.565 50 0 DHAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1O ZINC000069532916 184523782 /nfs/dbraw/zinc/52/37/82/184523782.db2.gz JCLKGGFMDKQSPP-CYBMUJFWSA-N 0 0 309.365 3.901 50 0 DHAARN CC(C)c1nc(CCNC(=O)CCc2ccccc2)cs1 ZINC000069520219 184522434 /nfs/dbraw/zinc/52/24/34/184522434.db2.gz PUVOFUNAXGFEID-UHFFFAOYSA-N 0 0 302.443 3.558 50 0 DHAARN O=C(Nc1ccsc1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000157431656 197187471 /nfs/dbraw/zinc/18/74/71/197187471.db2.gz VOKSPOIDADNBFI-CQSZACIVSA-N 0 0 324.352 3.632 50 0 DHAARN Cc1cnc(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)s1 ZINC000156246703 197097753 /nfs/dbraw/zinc/09/77/53/197097753.db2.gz AZLFPINEKHACTG-CYBMUJFWSA-N 0 0 305.378 3.790 50 0 DHAARN Cc1c(C)c(C)c(C(=O)OCc2nnc(C3CC3)o2)c(C)c1C ZINC000063506432 256541007 /nfs/dbraw/zinc/54/10/07/256541007.db2.gz MLWXRJDGMHXOTR-UHFFFAOYSA-N 0 0 314.385 3.846 50 0 DHAARN Cc1cnc([C@@H](C)NCc2ccccc2OCc2cccnc2)o1 ZINC000096003613 256551585 /nfs/dbraw/zinc/55/15/85/256551585.db2.gz VRRNZNXSRYGFTL-OAHLLOKOSA-N 0 0 323.396 3.808 50 0 DHAARN COc1cc(C(C)=O)ccc1SCC(=O)c1ccccc1 ZINC000122850052 256585985 /nfs/dbraw/zinc/58/59/85/256585985.db2.gz LCJMOHZQJMZSIA-UHFFFAOYSA-N 0 0 300.379 3.873 50 0 DHAARN C/C=C\[C@@H]1OC(=O)N(C(=O)c2ccccc2)[C@H]1Cc1ccccc1 ZINC000005823653 257137469 /nfs/dbraw/zinc/13/74/69/257137469.db2.gz JRNNRRDFNWJDGN-LCFGPSSBSA-N 0 0 321.376 3.835 50 0 DHAARN C[C@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)c2ccccc2N1 ZINC000096423999 257210657 /nfs/dbraw/zinc/21/06/57/257210657.db2.gz SXPLEZZMEPWGKL-GOEBONIOSA-N 0 0 322.408 3.790 50 0 DHAARN CCOC(=O)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019632983 257211693 /nfs/dbraw/zinc/21/16/93/257211693.db2.gz NLUVMWUIPNPANU-UHFFFAOYSA-N 0 0 324.424 3.628 50 0 DHAARN CCC[C@@H]1C=CCN1C(=O)c1cnc(C)nc1-c1ccccc1 ZINC000216471263 257273471 /nfs/dbraw/zinc/27/34/71/257273471.db2.gz JTFFCPSFAPMWPB-MRXNPFEDSA-N 0 0 307.397 3.633 50 0 DHAARN CCCC(=CC(=O)N[C@@H](C)c1ncc(C(=O)OC)s1)CCC ZINC000521395794 257240934 /nfs/dbraw/zinc/24/09/34/257240934.db2.gz BAMVDAKLAOPOAQ-NSHDSACASA-N 0 0 324.446 3.634 50 0 DHAARN CC1(C)CN(C(=O)c2ccn(C(F)F)n2)C[C@@H]1c1ccccc1 ZINC000426690247 257243991 /nfs/dbraw/zinc/24/39/91/257243991.db2.gz HDIKNPDXWKJBOV-CYBMUJFWSA-N 0 0 319.355 3.544 50 0 DHAARN Cc1ccsc1CNC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000426674014 257244243 /nfs/dbraw/zinc/24/42/43/257244243.db2.gz ILCMTXVWOCNKLN-OAHLLOKOSA-N 0 0 315.442 3.888 50 0 DHAARN Cc1ccc(-c2cccc(C(=O)NCC3CCOCC3)c2)c(C)n1 ZINC000426643051 257244823 /nfs/dbraw/zinc/24/48/23/257244823.db2.gz URSHLZBERXNJOI-UHFFFAOYSA-N 0 0 324.424 3.522 50 0 DHAARN Cc1ccc(C(=O)N(C)Cc2nc3ccccc3o2)n1C(F)F ZINC000426513474 257248038 /nfs/dbraw/zinc/24/80/38/257248038.db2.gz BJSQAVCHLUTBQI-UHFFFAOYSA-N 0 0 319.311 3.605 50 0 DHAARN C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccccc1Cl ZINC000426506552 257248252 /nfs/dbraw/zinc/24/82/52/257248252.db2.gz FPDOQALMTRDQDJ-SNVBAGLBSA-N 0 0 302.752 3.842 50 0 DHAARN CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2cncc(N)c2)cc1 ZINC000426486076 257249403 /nfs/dbraw/zinc/24/94/03/257249403.db2.gz XJAPFBQSFWHVGK-IBGZPJMESA-N 0 0 321.424 3.902 50 0 DHAARN Cc1ccc([C@]2(C(=O)NCc3cc(C4CC4)n[nH]3)CC2(C)C)cc1 ZINC000426434517 257250064 /nfs/dbraw/zinc/25/00/64/257250064.db2.gz RCIYGQREKDTXNM-FQEVSTJZSA-N 0 0 323.440 3.580 50 0 DHAARN CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cccc(=O)[nH]2)cc1 ZINC000426429048 257250470 /nfs/dbraw/zinc/25/04/70/257250470.db2.gz WXFOEWQOVPVJQU-MRXNPFEDSA-N 0 0 308.381 3.635 50 0 DHAARN Cc1ccc(-c2cnn([C@@H]3CCCCO3)c2)c(-n2cccn2)c1 ZINC000426405746 257251693 /nfs/dbraw/zinc/25/16/93/257251693.db2.gz PTSBYWXQADPBFJ-SFHVURJKSA-N 0 0 308.385 3.743 50 0 DHAARN CCOC(=O)c1cc(C)sc1NC(=O)Cc1ccc(F)cc1 ZINC000001002175 257254245 /nfs/dbraw/zinc/25/42/45/257254245.db2.gz KTHNXYZAHBXFOL-UHFFFAOYSA-N 0 0 321.373 3.554 50 0 DHAARN Nc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000106517 257254472 /nfs/dbraw/zinc/25/44/72/257254472.db2.gz PAPKPXXHIOWYMP-UHFFFAOYSA-N 0 0 303.774 3.784 50 0 DHAARN CCOC[C@@H]1CCCCN1C(=O)C[C@@H](C)c1ccccc1OC ZINC000408520079 257255534 /nfs/dbraw/zinc/25/55/34/257255534.db2.gz CBLUTAXUAINVRX-CVEARBPZSA-N 0 0 319.445 3.606 50 0 DHAARN CCN(C(=O)c1cn(CCC(C)C)nn1)c1ccccc1Cl ZINC000408512958 257255958 /nfs/dbraw/zinc/25/59/58/257255958.db2.gz GOBNBWSMFRLRLL-UHFFFAOYSA-N 0 0 320.824 3.644 50 0 DHAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000021612000 257269029 /nfs/dbraw/zinc/26/90/29/257269029.db2.gz GCTYIERVOXLZBG-STQMWFEESA-N 0 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CCc1c(C)scc1C(=O)NCc1ccc(OC)c(OC)c1 ZINC000001056107 563276378 /nfs/dbraw/zinc/27/63/78/563276378.db2.gz GZHLQDRRTHSQCB-UHFFFAOYSA-N 0 0 319.426 3.566 50 0 DHAARN COc1ccccc1CCNC(=O)c1csc2ccccc12 ZINC000001056521 563276530 /nfs/dbraw/zinc/27/65/30/563276530.db2.gz CVTZRVOMNOZCCB-UHFFFAOYSA-N 0 0 311.406 3.882 50 0 DHAARN O=C(Nc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000001099450 563277108 /nfs/dbraw/zinc/27/71/08/563277108.db2.gz WAPSNSQRLAQDFD-UHFFFAOYSA-N 0 0 309.369 3.567 50 0 DHAARN CCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1OCC ZINC000001180015 563278386 /nfs/dbraw/zinc/27/83/86/563278386.db2.gz CVQCQDAUWSAWKU-UVTDQMKNSA-N 0 0 321.398 3.540 50 0 DHAARN O=C(Nc1cccnc1)c1cc(Br)ccc1Cl ZINC000001216545 563279305 /nfs/dbraw/zinc/27/93/05/563279305.db2.gz STCFCLWZHGGEOR-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN Cc1nc2ccccn2c1C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000001383978 563281404 /nfs/dbraw/zinc/28/14/04/563281404.db2.gz WGTMBKOHCCELQM-AWEZNQCLSA-N 0 0 314.772 3.603 50 0 DHAARN O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1 ZINC000001340523 563281554 /nfs/dbraw/zinc/28/15/54/563281554.db2.gz GXQUOPHVPAXEKM-UHFFFAOYSA-N 0 0 303.365 3.755 50 0 DHAARN COC(=O)c1cccn2c(Cl)c(-c3ccc(F)cc3)nc12 ZINC000001395460 563282001 /nfs/dbraw/zinc/28/20/01/563282001.db2.gz ABOBUZQIYAHIKW-UHFFFAOYSA-N 0 0 304.708 3.580 50 0 DHAARN CC(C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001402729 563282866 /nfs/dbraw/zinc/28/28/66/563282866.db2.gz CSBMRJPMRGRMIL-UHFFFAOYSA-N 0 0 303.431 3.594 50 0 DHAARN CC(C)(C)n1cc(NC(=O)c2csc(-c3ccoc3)n2)cn1 ZINC000071888265 563289072 /nfs/dbraw/zinc/28/90/72/563289072.db2.gz QVWWNKAHFBOSDU-UHFFFAOYSA-N 0 0 316.386 3.607 50 0 DHAARN Cc1cc(C)cc(OCCNC(=O)c2cccc(Cl)c2)c1 ZINC000001748272 563294717 /nfs/dbraw/zinc/29/47/17/563294717.db2.gz IDJLGYCOUNUOTF-UHFFFAOYSA-N 0 0 303.789 3.766 50 0 DHAARN Cc1ccc(N2N[C@@]3(C[C@H](C)CC(C)(C)C3)NC2=S)cc1 ZINC000001754993 563295035 /nfs/dbraw/zinc/29/50/35/563295035.db2.gz QMRFFSCJFCEJQN-CXAGYDPISA-N 0 0 303.475 3.737 50 0 DHAARN CCCCc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000001808088 563296447 /nfs/dbraw/zinc/29/64/47/563296447.db2.gz HJIGMSSUEOOHJG-GOSISDBHSA-N 0 0 311.381 3.808 50 0 DHAARN CCCCOc1ccc(C2=N/C(=C/c3ccco3)C(=O)O2)cc1 ZINC000002054531 563298868 /nfs/dbraw/zinc/29/88/68/563298868.db2.gz SWGRSZRMRBOYES-FOWTUZBSSA-N 0 0 311.337 3.803 50 0 DHAARN CC(C)C[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000002065841 563298967 /nfs/dbraw/zinc/29/89/67/563298967.db2.gz LWKXKKGXUQZNQO-JTQLQIEISA-N 0 0 304.217 3.923 50 0 DHAARN CCCCCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000002052326 563299142 /nfs/dbraw/zinc/29/91/42/563299142.db2.gz SRQWYOFKSZXWAQ-UHFFFAOYSA-N 0 0 310.825 3.695 50 0 DHAARN C[C@@H]1C[C@H]1c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 ZINC000071889991 563299786 /nfs/dbraw/zinc/29/97/86/563299786.db2.gz FXYPRXFGSDONIP-BXUZGUMPSA-N 0 0 318.804 3.943 50 0 DHAARN CCCCCCN1C(=O)/C(=C/c2ccccc2)N(C)C1=S ZINC000002153715 563300730 /nfs/dbraw/zinc/30/07/30/563300730.db2.gz DTVUUOVIQRVSET-SQFISAMPSA-N 0 0 302.443 3.667 50 0 DHAARN O=c1c2c(nc3n1CCS3)-c1ccccc1CC21CCCCC1 ZINC000002464402 563303854 /nfs/dbraw/zinc/30/38/54/563303854.db2.gz UZJDMJMLEWLPAV-UHFFFAOYSA-N 0 0 324.449 3.774 50 0 DHAARN O=C(c1cccc(CN2CCC2)c1)c1ccc(F)c(Cl)c1 ZINC000002515129 563306161 /nfs/dbraw/zinc/30/61/61/563306161.db2.gz SWMRRKKHLXUYFC-UHFFFAOYSA-N 0 0 303.764 3.916 50 0 DHAARN CCOC(=O)c1ccccc1C(=O)CCc1ccc(OC)cc1 ZINC000002516550 563306637 /nfs/dbraw/zinc/30/66/37/563306637.db2.gz KXZASPJIXIYLGV-UHFFFAOYSA-N 0 0 312.365 3.687 50 0 DHAARN CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000002527187 563307752 /nfs/dbraw/zinc/30/77/52/563307752.db2.gz ARCRECZRQVSYIP-UHFFFAOYSA-N 0 0 307.365 3.656 50 0 DHAARN CC(C)(C)c1ccc(NC(=S)NC(=O)c2ccoc2)cc1 ZINC000002532425 563307891 /nfs/dbraw/zinc/30/78/91/563307891.db2.gz RVILHASRSVHLNV-UHFFFAOYSA-N 0 0 302.399 3.704 50 0 DHAARN Cc1cccc(C(=O)c2cnn(-c3ccc(Cl)cc3)c2N)c1 ZINC000002522153 563307905 /nfs/dbraw/zinc/30/79/05/563307905.db2.gz GRJHOYGAYIIWHC-UHFFFAOYSA-N 0 0 311.772 3.647 50 0 DHAARN 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O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccs1 ZINC000002764343 563313358 /nfs/dbraw/zinc/31/33/58/563313358.db2.gz SONDMJHKYPVDNZ-UHFFFAOYSA-N 0 0 317.801 3.899 50 0 DHAARN c1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1 ZINC000002828980 563314136 /nfs/dbraw/zinc/31/41/36/563314136.db2.gz JHRALBGFEUFYOK-UHFFFAOYSA-N 0 0 308.366 3.905 50 0 DHAARN CC(C)c1cccc(OCCCn2cnc3ccccc3c2=O)c1 ZINC000002863128 563315787 /nfs/dbraw/zinc/31/57/87/563315787.db2.gz DZGPFTSTLAYVOB-UHFFFAOYSA-N 0 0 322.408 3.989 50 0 DHAARN CCSc1ncc(Cl)c(C(=O)Nc2ccccc2F)n1 ZINC000002887513 563316868 /nfs/dbraw/zinc/31/68/68/563316868.db2.gz OYRDWQPZVMSQJZ-UHFFFAOYSA-N 0 0 311.769 3.633 50 0 DHAARN COc1cc(NC(=O)Nc2ccccc2C)cc(OC)c1OC ZINC000002908381 563317460 /nfs/dbraw/zinc/31/74/60/563317460.db2.gz YUBPOYYEPHOHMD-UHFFFAOYSA-N 0 0 316.357 3.665 50 0 DHAARN Cc1cc(OCC(=O)C(C)(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000002967885 563318198 /nfs/dbraw/zinc/31/81/98/563318198.db2.gz USMCAVMHXSUONM-UHFFFAOYSA-N 0 0 314.381 3.584 50 0 DHAARN CCOc1ccc(OCCOCCOc2ccccc2C)cc1 ZINC000002984087 563318847 /nfs/dbraw/zinc/31/88/47/563318847.db2.gz JCYDBXRYJFJMIQ-UHFFFAOYSA-N 0 0 316.397 3.868 50 0 DHAARN CCCC[C@H](CC)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000002988340 563319945 /nfs/dbraw/zinc/31/99/45/563319945.db2.gz KKWKIHYYYCZWCJ-HNNXBMFYSA-N 0 0 306.425 3.691 50 0 DHAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC(C)(C)C ZINC000003135944 563322390 /nfs/dbraw/zinc/32/23/90/563322390.db2.gz GYERZFLPCJGONH-UHFFFAOYSA-N 0 0 310.756 3.971 50 0 DHAARN CC(C)CNC(=O)c1cn2cc(-c3ccc(F)cc3)ccc2n1 ZINC000034830977 563323991 /nfs/dbraw/zinc/32/39/91/563323991.db2.gz HQSMMOZHAYSRJE-UHFFFAOYSA-N 0 0 311.360 3.526 50 0 DHAARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21CC ZINC000003977932 563326456 /nfs/dbraw/zinc/32/64/56/563326456.db2.gz WWYNJERNGUHSAO-DGGDGUMWSA-N 0 0 312.453 3.883 50 0 DHAARN COc1ccc(C(=O)c2ccc(Br)cc2)cc1OC ZINC000004241629 563327136 /nfs/dbraw/zinc/32/71/36/563327136.db2.gz JJNXGNYHLQVEAC-UHFFFAOYSA-N 0 0 321.170 3.697 50 0 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DHAARN Cc1ccc(SCCNC(=O)NCCc2ccccc2)cc1 ZINC000032862609 563403799 /nfs/dbraw/zinc/40/37/99/563403799.db2.gz BLBCVHOIQZVYET-UHFFFAOYSA-N 0 0 314.454 3.629 50 0 DHAARN CN1c2ccc(Br)cc2[C@H](Cc2ccccc2)C1=O ZINC000015017837 563406286 /nfs/dbraw/zinc/40/62/86/563406286.db2.gz YLDDSQXKSSOSDV-AWEZNQCLSA-N 0 0 316.198 3.752 50 0 DHAARN O=C(NCC1(c2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000032872009 563406337 /nfs/dbraw/zinc/40/63/37/563406337.db2.gz JXEBKORKRFFDHX-UHFFFAOYSA-N 0 0 302.377 3.696 50 0 DHAARN COc1ccc(CC[C@@H]2CCCN(C(=O)c3ccccn3)C2)cc1 ZINC000015065320 563407064 /nfs/dbraw/zinc/40/70/64/563407064.db2.gz PWDUMZJFZSDZLM-KRWDZBQOSA-N 0 0 324.424 3.575 50 0 DHAARN Fc1cccc(-c2nnc3sc(/C=C/c4ccco4)nn32)c1 ZINC000015109822 563407694 /nfs/dbraw/zinc/40/76/94/563407694.db2.gz JDPANUYFRVFPJT-VOTSOKGWSA-N 0 0 312.329 3.755 50 0 DHAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCCc2ncccc21 ZINC000032882846 563407804 /nfs/dbraw/zinc/40/78/04/563407804.db2.gz RPJODHGUDIAMIX-UHFFFAOYSA-N 0 0 320.314 3.622 50 0 DHAARN NC(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000032891591 563409060 /nfs/dbraw/zinc/40/90/60/563409060.db2.gz JFVDEQKXCLQSQB-UHFFFAOYSA-N 0 0 301.342 3.718 50 0 DHAARN COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000032907733 563410879 /nfs/dbraw/zinc/41/08/79/563410879.db2.gz KOCMYDRBEGAQPC-MNOVXSKESA-N 0 0 319.298 3.685 50 0 DHAARN CCC(CC)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000032909433 563410988 /nfs/dbraw/zinc/41/09/88/563410988.db2.gz USLUIPDPRYTBDW-KRWDZBQOSA-N 0 0 320.433 3.643 50 0 DHAARN Cc1ccccc1N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000016580075 563412110 /nfs/dbraw/zinc/41/21/10/563412110.db2.gz NGFSRVTVKPMWBP-UHFFFAOYSA-N 0 0 322.452 3.667 50 0 DHAARN Cc1ccc(C)c(C(=O)COc2ncnc3ccc(C)cc32)c1 ZINC000032922637 563412653 /nfs/dbraw/zinc/41/26/53/563412653.db2.gz VQMLOYLXDBMLBX-UHFFFAOYSA-N 0 0 306.365 3.817 50 0 DHAARN CSc1ccccc1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000032931261 563414169 /nfs/dbraw/zinc/41/41/69/563414169.db2.gz USHQAAZWYSHCKN-HIFRSBDPSA-N 0 0 307.459 3.734 50 0 DHAARN Cc1cnc(NC(=O)CCC(=O)c2ccc(Cl)s2)s1 ZINC000010627878 563415067 /nfs/dbraw/zinc/41/50/67/563415067.db2.gz QCEJXOWPSQNYBA-UHFFFAOYSA-N 0 0 314.819 3.768 50 0 DHAARN O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCCC1 ZINC000020108288 563416029 /nfs/dbraw/zinc/41/60/29/563416029.db2.gz PQNJRFVDVRMUCR-UHFFFAOYSA-N 0 0 320.436 3.875 50 0 DHAARN CC(C)c1noc(CCC(=O)Nc2cccc3c2CCCC3)n1 ZINC000032940589 563416166 /nfs/dbraw/zinc/41/61/66/563416166.db2.gz LKTWEYKIERWOEL-UHFFFAOYSA-N 0 0 313.401 3.643 50 0 DHAARN COC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000020220914 563416924 /nfs/dbraw/zinc/41/69/24/563416924.db2.gz FMIVJKYKSVKJPX-UHFFFAOYSA-N 0 0 310.353 3.606 50 0 DHAARN COC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C ZINC000020798484 563417563 /nfs/dbraw/zinc/41/75/63/563417563.db2.gz YORPFJXDSQTEBB-UHFFFAOYSA-N 0 0 312.156 3.622 50 0 DHAARN CCCCc1n[nH]c2c1CN(C(=O)c1sccc1Cl)CC2 ZINC000020540410 563417685 /nfs/dbraw/zinc/41/76/85/563417685.db2.gz YPRBUKYSLZPOHM-UHFFFAOYSA-N 0 0 323.849 3.666 50 0 DHAARN O=C(Cn1ccnc1)Nc1ccccc1Sc1ccccc1 ZINC000010809348 563418156 /nfs/dbraw/zinc/41/81/56/563418156.db2.gz JAKUVOLHCPWYIO-UHFFFAOYSA-N 0 0 309.394 3.673 50 0 DHAARN CCc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000010785448 563418406 /nfs/dbraw/zinc/41/84/06/563418406.db2.gz OWGNIHPRSNADQT-UHFFFAOYSA-N 0 0 319.408 3.707 50 0 DHAARN c1csc(-c2cccc(-c3ccn(C[C@H]4CCCO4)n3)c2)n1 ZINC000023214049 563419552 /nfs/dbraw/zinc/41/95/52/563419552.db2.gz RWTNAEWCIYRKBH-OAHLLOKOSA-N 0 0 311.410 3.853 50 0 DHAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 ZINC000010925027 563419878 /nfs/dbraw/zinc/41/98/78/563419878.db2.gz UIUKKROFMSTKKR-UHFFFAOYSA-N 0 0 314.772 3.941 50 0 DHAARN CN(Cc1nc(C(C)(C)C)no1)Cc1nc2ccccc2s1 ZINC000023904035 563420470 /nfs/dbraw/zinc/42/04/70/563420470.db2.gz SGMGQCVAOVOYLZ-UHFFFAOYSA-N 0 0 316.430 3.609 50 0 DHAARN Cc1ccc2oc(C(=O)N[C@@H]3CCc4ccccc43)cc(=O)c2c1 ZINC000010960369 563420989 /nfs/dbraw/zinc/42/09/89/563420989.db2.gz NAKDAWCGLOQNGP-MRXNPFEDSA-N 0 0 319.360 3.519 50 0 DHAARN O=C(Nc1cccc(-c2nnco2)c1)c1cc2c(s1)CCC2 ZINC000024736702 563421188 /nfs/dbraw/zinc/42/11/88/563421188.db2.gz KWFHLBGFNQIKNV-UHFFFAOYSA-N 0 0 311.366 3.539 50 0 DHAARN COc1ccc2[nH]c(Sc3ncnc4sccc43)nc2c1 ZINC000025061706 563421540 /nfs/dbraw/zinc/42/15/40/563421540.db2.gz GJRBMRYYCDDXRD-UHFFFAOYSA-N 0 0 314.395 3.727 50 0 DHAARN Cc1occc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025066151 563421559 /nfs/dbraw/zinc/42/15/59/563421559.db2.gz ISXFNEWGELXJGS-UHFFFAOYSA-N 0 0 300.358 3.825 50 0 DHAARN COc1cc(F)ccc1NC(=O)CCn1ccc2ccccc21 ZINC000025311896 563421795 /nfs/dbraw/zinc/42/17/95/563421795.db2.gz DLEHBCKMDHVPQN-UHFFFAOYSA-N 0 0 312.344 3.818 50 0 DHAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c(C)o1 ZINC000025297769 563422262 /nfs/dbraw/zinc/42/22/62/563422262.db2.gz SCUJGKXVAPDSGJ-JTQLQIEISA-N 0 0 309.312 3.989 50 0 DHAARN Fc1ccc([C@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 ZINC000025360071 563422507 /nfs/dbraw/zinc/42/25/07/563422507.db2.gz ZRLCRJGNMTZALI-CQSZACIVSA-N 0 0 313.332 3.806 50 0 DHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1Cl ZINC000025365061 563422515 /nfs/dbraw/zinc/42/25/15/563422515.db2.gz GLUXFZZHYRFJLU-UHFFFAOYSA-N 0 0 309.818 3.864 50 0 DHAARN Cc1ccc(F)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000025601162 563423420 /nfs/dbraw/zinc/42/34/20/563423420.db2.gz AVCQJUORWIQVJU-LBPRGKRZSA-N 0 0 304.340 3.563 50 0 DHAARN COc1ccccc1[C@H](C)N(C)CC(=O)NC1CCCCCC1 ZINC000026332998 563424947 /nfs/dbraw/zinc/42/49/47/563424947.db2.gz JVERSMJILASAND-HNNXBMFYSA-N 0 0 318.461 3.527 50 0 DHAARN C[C@@H](NC(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000026399652 563425637 /nfs/dbraw/zinc/42/56/37/563425637.db2.gz GTJZMZFVHYAQPH-CRAIPNDOSA-N 0 0 324.424 3.643 50 0 DHAARN Cc1cccc(OCC(=O)Nc2nc3c(s2)CC[C@@H](C)C3)c1 ZINC000027583376 563428685 /nfs/dbraw/zinc/42/86/85/563428685.db2.gz VADDTNWWQZYFLZ-GFCCVEGCSA-N 0 0 316.426 3.594 50 0 DHAARN COc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1C ZINC000027664361 563429539 /nfs/dbraw/zinc/42/95/39/563429539.db2.gz JLKKQFZCARJLAR-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN CC(C)c1noc([C@@H](C)N(C)Cc2nc3ccccc3s2)n1 ZINC000027809232 563429873 /nfs/dbraw/zinc/42/98/73/563429873.db2.gz WBMWAUUMGFDRHV-LLVKDONJSA-N 0 0 316.430 3.996 50 0 DHAARN CCCc1nnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 ZINC000028226860 563430674 /nfs/dbraw/zinc/43/06/74/563430674.db2.gz XMRIPNFHGNACES-UHFFFAOYSA-N 0 0 319.430 3.778 50 0 DHAARN CCOC(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c1C ZINC000072274146 563431700 /nfs/dbraw/zinc/43/17/00/563431700.db2.gz MOYUQQWPLMILIM-WCQYABFASA-N 0 0 319.405 3.874 50 0 DHAARN CCc1ccc(OC[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028292821 563431713 /nfs/dbraw/zinc/43/17/13/563431713.db2.gz ONFAEPPCKODLPC-HNNXBMFYSA-N 0 0 306.789 3.721 50 0 DHAARN CSc1ccccc1NC(=O)c1cccc(NC(C)=O)c1 ZINC000032958657 563432229 /nfs/dbraw/zinc/43/22/29/563432229.db2.gz NIGGWOXVHSKIOF-UHFFFAOYSA-N 0 0 300.383 3.619 50 0 DHAARN Cc1cccc(C)c1NC(=O)N1C(=O)CSc2ccccc21 ZINC000028527588 563432305 /nfs/dbraw/zinc/43/23/05/563432305.db2.gz ZAYVUYPUWQFYFS-UHFFFAOYSA-N 0 0 312.394 3.974 50 0 DHAARN CCOCc1ccc(CNC(=O)NCc2ccc(C)cc2)cc1 ZINC000028994012 563432804 /nfs/dbraw/zinc/43/28/04/563432804.db2.gz BQWRXCZWRYAWQS-UHFFFAOYSA-N 0 0 312.413 3.531 50 0 DHAARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccc(F)cc1 ZINC000028927417 563433007 /nfs/dbraw/zinc/43/30/07/563433007.db2.gz HQIIYRGIWBSEEE-GFCCVEGCSA-N 0 0 309.344 3.707 50 0 DHAARN C[C@H](CCc1ccccc1)NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000029001324 563433130 /nfs/dbraw/zinc/43/31/30/563433130.db2.gz TXHHWSKDLWBUHD-OAHLLOKOSA-N 0 0 319.408 3.828 50 0 DHAARN O=C(NCc1ccccc1Cl)c1c[nH]nc1-c1ccccc1 ZINC000029001366 563433170 /nfs/dbraw/zinc/43/31/70/563433170.db2.gz GBGQVQLROZWUQY-UHFFFAOYSA-N 0 0 311.772 3.660 50 0 DHAARN Cc1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cn1 ZINC000029247804 563433673 /nfs/dbraw/zinc/43/36/73/563433673.db2.gz RDDORCPYEHUHOC-LLVKDONJSA-N 0 0 308.303 3.900 50 0 DHAARN O=C(NCc1cccc(C(F)(F)F)c1)NC(C1CC1)C1CC1 ZINC000029316874 563433716 /nfs/dbraw/zinc/43/37/16/563433716.db2.gz HLDJEGCJASFYLE-UHFFFAOYSA-N 0 0 312.335 3.693 50 0 DHAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(C)n1 ZINC000029192928 563433825 /nfs/dbraw/zinc/43/38/25/563433825.db2.gz MQYLDBLAFFMUST-UHFFFAOYSA-N 0 0 307.353 3.535 50 0 DHAARN COC(=O)c1ccc(CSc2nc3ccccc3nc2C)o1 ZINC000029282159 563434041 /nfs/dbraw/zinc/43/40/41/563434041.db2.gz JMKFBGCLNRWMOH-UHFFFAOYSA-N 0 0 314.366 3.610 50 0 DHAARN Cn1ccnc1[C@H](Nc1nc2ccccc2o1)c1ccccc1 ZINC000029400997 563434702 /nfs/dbraw/zinc/43/47/02/563434702.db2.gz XUAMPSATJZVCMR-MRXNPFEDSA-N 0 0 304.353 3.763 50 0 DHAARN CCc1cccc(C)c1NC(=O)c1cc2c(C)nn(C)c2nc1C ZINC000029737240 563435286 /nfs/dbraw/zinc/43/52/86/563435286.db2.gz QOOORWPCFXQPEL-UHFFFAOYSA-N 0 0 322.412 3.708 50 0 DHAARN Cc1ccc(F)cc1NC(=O)c1cc(F)ccc1-n1ccnc1 ZINC000072292847 563437692 /nfs/dbraw/zinc/43/76/92/563437692.db2.gz UHSLTJVXDMVFBK-UHFFFAOYSA-N 0 0 313.307 3.711 50 0 DHAARN Clc1ccc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 ZINC000030824109 563439001 /nfs/dbraw/zinc/43/90/01/563439001.db2.gz IWGLVWZGOLHCQE-UHFFFAOYSA-N 0 0 314.728 3.828 50 0 DHAARN O=C(CCc1ccc(F)cc1)NCc1coc(-c2ccccc2)n1 ZINC000072295432 563439731 /nfs/dbraw/zinc/43/97/31/563439731.db2.gz ZSKBGVAUYNVSJS-UHFFFAOYSA-N 0 0 324.355 3.730 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1C ZINC000031112978 563439994 /nfs/dbraw/zinc/43/99/94/563439994.db2.gz NAPWQDBCQZWLIU-UHFFFAOYSA-N 0 0 312.369 3.604 50 0 DHAARN Nc1nc2c(s1)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000032092052 563441009 /nfs/dbraw/zinc/44/10/09/563441009.db2.gz WMTRGIXFVMPDQX-SSDOTTSWSA-N 0 0 314.197 3.506 50 0 DHAARN COc1ccc(-c2ncnc3sc(C)c(C)c32)c(OC)c1 ZINC000032577737 563442819 /nfs/dbraw/zinc/44/28/19/563442819.db2.gz DBBKSSGWPWUGAI-UHFFFAOYSA-N 0 0 300.383 3.992 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2Cl)on1 ZINC000033269763 563444786 /nfs/dbraw/zinc/44/47/86/563444786.db2.gz HNYYJCZKLDSDTD-AWEZNQCLSA-N 0 0 322.767 3.682 50 0 DHAARN CCOc1ccc2cc(C(=O)N[C@@H](C)c3ccc(C)o3)[nH]c2c1 ZINC000048366851 563445699 /nfs/dbraw/zinc/44/56/99/563445699.db2.gz VXXJXIHYZHSZQA-LBPRGKRZSA-N 0 0 312.369 3.959 50 0 DHAARN CC[C@@H]1C[C@H](NC(=O)OC)c2cc(C(F)(F)F)ccc2N1 ZINC000033977436 563446361 /nfs/dbraw/zinc/44/63/61/563446361.db2.gz DNQYOPWDVYBERX-SKDRFNHKSA-N 0 0 302.296 3.697 50 0 DHAARN Cc1cc(NC(=O)CN(C)Cc2ccccc2)c2ccccc2n1 ZINC000000104329 563447030 /nfs/dbraw/zinc/44/70/30/563447030.db2.gz DLZVYGMMQRKGAY-UHFFFAOYSA-N 0 0 319.408 3.614 50 0 DHAARN COc1ccc(NC(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000000205586 563447108 /nfs/dbraw/zinc/44/71/08/563447108.db2.gz ZTRMVJPPXCQOEA-KRWDZBQOSA-N 0 0 311.385 3.849 50 0 biogenic DHAARN CCOC(=O)c1cc(C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000000269062 563447437 /nfs/dbraw/zinc/44/74/37/563447437.db2.gz XKQVEROFEVAUNC-UHFFFAOYSA-N 0 0 315.760 3.535 50 0 DHAARN CCc1cc2c(ncnc2N2CCN(c3ccccc3)CC2)s1 ZINC000000446513 563447589 /nfs/dbraw/zinc/44/75/89/563447589.db2.gz QLJQQYHYZBUQIJ-UHFFFAOYSA-N 0 0 324.453 3.580 50 0 DHAARN Cc1oc(C)c2c1c(O)cc(-c1ccc3c(c1)OCO3)cc2=O ZINC000000519624 563448186 /nfs/dbraw/zinc/44/81/86/563448186.db2.gz KUNCCHQYTSAMGX-UHFFFAOYSA-N 0 0 310.305 3.511 50 0 biogenic DHAARN COc1ccc(/C=C/c2cc(C(N)=O)c3ccccc3n2)cc1 ZINC000004020567 563449609 /nfs/dbraw/zinc/44/96/09/563449609.db2.gz FWAIPXIVRHNGDJ-RMKNXTFCSA-N 0 0 304.349 3.513 50 0 DHAARN O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2cc(Cl)ccc12 ZINC000002875347 563449681 /nfs/dbraw/zinc/44/96/81/563449681.db2.gz LDLAGUZYZKJQAA-UHFFFAOYSA-N 0 0 316.696 3.548 50 0 DHAARN COc1cccc(OC)c1OCCOc1cccc(C)c1C ZINC000022238498 563449707 /nfs/dbraw/zinc/44/97/07/563449707.db2.gz LBHBNEDHWPMRMJ-UHFFFAOYSA-N 0 0 302.370 3.778 50 0 DHAARN CCCCc1cc(NC(=O)COc2cc(C)ccc2C)on1 ZINC000072311493 563451933 /nfs/dbraw/zinc/45/19/33/563451933.db2.gz WFBHNQJHISQZAE-UHFFFAOYSA-N 0 0 302.374 3.652 50 0 DHAARN CC[C@@H]1CCc2sc(C(=O)N(C)Cc3cccnc3)cc2C1 ZINC000032967280 563452660 /nfs/dbraw/zinc/45/26/60/563452660.db2.gz GPNGSVIXHUNFPN-CYBMUJFWSA-N 0 0 314.454 3.930 50 0 DHAARN Cc1nc(NC(=O)c2snnc2-c2ccccc2)sc1C ZINC000036366408 563454698 /nfs/dbraw/zinc/45/46/98/563454698.db2.gz WWQIGJNRIMCSED-UHFFFAOYSA-N 0 0 316.411 3.531 50 0 DHAARN CCC(=O)Nc1cc(NC(=O)c2ccccc2OC)ccc1C ZINC000036567124 563455443 /nfs/dbraw/zinc/45/54/43/563455443.db2.gz SJJXMMHFPMSEOS-UHFFFAOYSA-N 0 0 312.369 3.604 50 0 DHAARN Cc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccccc2)no1 ZINC000013495475 563458880 /nfs/dbraw/zinc/45/88/80/563458880.db2.gz BXRLBRDSAHYFEF-CYBMUJFWSA-N 0 0 307.353 3.536 50 0 DHAARN Cc1ccc(-c2ncc(NC(=O)c3ccc(F)cc3)cn2)cc1 ZINC000097938519 563460901 /nfs/dbraw/zinc/46/09/01/563460901.db2.gz PEVMVOSXMVBWHW-UHFFFAOYSA-N 0 0 307.328 3.843 50 0 DHAARN Cn1c(CCc2cccc(NC(=O)C3CC3)c2)nc2ccccc21 ZINC000033019636 563464455 /nfs/dbraw/zinc/46/44/55/563464455.db2.gz FSIPGTFELXOHKK-UHFFFAOYSA-N 0 0 319.408 3.707 50 0 DHAARN Clc1ccc(NCc2cc(CN3CCOCC3)cs2)cc1 ZINC000045796094 563465664 /nfs/dbraw/zinc/46/56/64/563465664.db2.gz MTVAONQABCKJQB-UHFFFAOYSA-N 0 0 322.861 3.846 50 0 DHAARN Cc1noc(C)c1CN(C)C(=O)c1oc2c(cccc2F)c1C ZINC000046408002 563465747 /nfs/dbraw/zinc/46/57/47/563465747.db2.gz FKLUXUWBITXYHQ-UHFFFAOYSA-N 0 0 316.332 3.757 50 0 DHAARN O=C(CCC(=O)N1CCc2ccccc21)c1ccc(Cl)s1 ZINC000033026890 563466548 /nfs/dbraw/zinc/46/65/48/563466548.db2.gz IQGSFYIDVDMTMO-UHFFFAOYSA-N 0 0 319.813 3.954 50 0 DHAARN O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)nc1 ZINC000033028412 563468422 /nfs/dbraw/zinc/46/84/22/563468422.db2.gz WYYLNJNPNODNJN-UHFFFAOYSA-N 0 0 313.788 3.510 50 0 DHAARN CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(COC)cc1 ZINC000071916090 563469774 /nfs/dbraw/zinc/46/97/74/563469774.db2.gz PJZXTBQEQLBBEA-GOSISDBHSA-N 0 0 312.413 3.841 50 0 DHAARN CCCN(Cc1cccnc1)C(=O)c1cc2ccccc2n1C ZINC000055167989 563471494 /nfs/dbraw/zinc/47/14/94/563471494.db2.gz CVMARNHPWXMSQT-UHFFFAOYSA-N 0 0 307.397 3.626 50 0 DHAARN CSc1ccc(CN(C(=O)[C@@H](C)OC(C)C)C2CC2)cc1 ZINC000055119649 563471622 /nfs/dbraw/zinc/47/16/22/563471622.db2.gz OKMPSETZYWZJFN-CYBMUJFWSA-N 0 0 307.459 3.713 50 0 DHAARN CC(C)N(C)C(=O)c1cccc(NCc2ccc(F)cc2)c1 ZINC000055131757 563471929 /nfs/dbraw/zinc/47/19/29/563471929.db2.gz LWJLOGMVWJQFBI-UHFFFAOYSA-N 0 0 300.377 3.918 50 0 DHAARN Cc1nsc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)n1 ZINC000055211934 563472666 /nfs/dbraw/zinc/47/26/66/563472666.db2.gz FRCOCENMGUAHGK-ZDUSSCGKSA-N 0 0 320.393 3.745 50 0 DHAARN C[NH+](C)CCN(Cc1ccsc1)Cc1ccc(O)c(Cl)c1 ZINC000055254092 563472815 /nfs/dbraw/zinc/47/28/15/563472815.db2.gz CNOMGRYDFHCPMT-UHFFFAOYSA-N 0 0 324.877 3.671 50 0 DHAARN CCN(Cc1cc(C(C)(C)C)n[nH]1)Cc1c(C)nn(CC)c1C ZINC000055270668 563473712 /nfs/dbraw/zinc/47/37/12/563473712.db2.gz FOZALYYFIKALSQ-UHFFFAOYSA-N 0 0 317.481 3.563 50 0 DHAARN Cc1ccc(C)c(N2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000055292357 563473840 /nfs/dbraw/zinc/47/38/40/563473840.db2.gz WZTSUSYKIPJROS-UHFFFAOYSA-N 0 0 316.395 3.904 50 0 DHAARN CCC(CC)n1nc(C)cc1NC(=O)[C@H](OC)c1ccccc1 ZINC000055575256 563475913 /nfs/dbraw/zinc/47/59/13/563475913.db2.gz VPPDXKZLYZKOHR-QGZVFWFLSA-N 0 0 315.417 3.879 50 0 DHAARN FC(F)(F)Oc1ccc2nc(NC[C@H]3CCCO3)sc2c1 ZINC000056900920 563476870 /nfs/dbraw/zinc/47/68/70/563476870.db2.gz XDGSUQBYQQPREK-SECBINFHSA-N 0 0 318.320 3.786 50 0 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DNXBAHJVPBKPKD-KRWDZBQOSA-N 0 0 319.412 3.702 50 0 DHAARN CCNc1nnc(SCc2ncc(Cl)cc2Cl)s1 ZINC000179729204 563620411 /nfs/dbraw/zinc/62/04/11/563620411.db2.gz BGIRVOZNUVYXDM-UHFFFAOYSA-N 0 0 321.258 3.964 50 0 DHAARN COc1ccccc1-c1nnc(-c2cc3ccccc3oc2=O)o1 ZINC000001515035 563620914 /nfs/dbraw/zinc/62/09/14/563620914.db2.gz XDHWVKIUBVMYAM-UHFFFAOYSA-N 0 0 320.304 3.519 50 0 DHAARN C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccn1 ZINC000007980286 563623105 /nfs/dbraw/zinc/62/31/05/563623105.db2.gz IFROPFSXUPGFSY-LBPRGKRZSA-N 0 0 300.427 3.903 50 0 DHAARN Cc1nc(N)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1 ZINC000095629730 563623444 /nfs/dbraw/zinc/62/34/44/563623444.db2.gz IHGVAVLSTPCCJP-UHFFFAOYSA-N 0 0 301.337 3.936 50 0 DHAARN O=C(c1cccs1)N(CCc1cccs1)C1CCOCC1 ZINC000206676067 563626013 /nfs/dbraw/zinc/62/60/13/563626013.db2.gz INMOWMWMNNOARQ-UHFFFAOYSA-N 0 0 321.467 3.674 50 0 DHAARN C[C@]1(c2nc(-c3ccccc3OC(F)(F)F)no2)CCCO1 ZINC000273724017 563626169 /nfs/dbraw/zinc/62/61/69/563626169.db2.gz OHLNVIUOFUVCGB-CYBMUJFWSA-N 0 0 314.263 3.661 50 0 DHAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000017360975 563627215 /nfs/dbraw/zinc/62/72/15/563627215.db2.gz VWUGGLNJPYKDEE-UHFFFAOYSA-N 0 0 309.369 3.818 50 0 DHAARN COC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000000064194 563628141 /nfs/dbraw/zinc/62/81/41/563628141.db2.gz WDBBKGKIEHYGBA-DHZHZOJOSA-N 0 0 315.756 3.779 50 0 DHAARN CCOC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000000238528 563628661 /nfs/dbraw/zinc/62/86/61/563628661.db2.gz FFCKEAAJZUQHEC-UHFFFAOYSA-N 0 0 316.228 3.769 50 0 DHAARN CC(=O)Nc1c(=O)sc2ccccc2c1NCc1ccccc1 ZINC000000247614 563629272 /nfs/dbraw/zinc/62/92/72/563629272.db2.gz AVBRGTGKDWFYOL-UHFFFAOYSA-N 0 0 324.405 3.832 50 0 DHAARN CC(=O)Nc1ccc([C@]2(C)NN=C(c3ccccc3)S2)cc1 ZINC000000432545 563630319 /nfs/dbraw/zinc/63/03/19/563630319.db2.gz JAHNAYUFSWJFQN-QGZVFWFLSA-N 0 0 311.410 3.516 50 0 DHAARN O=c1c2ccccc2[nH]c(=S)n1-c1c(Cl)cccc1Cl ZINC000100397452 563630476 /nfs/dbraw/zinc/63/04/76/563630476.db2.gz NMXOPWCRFUBDNI-UHFFFAOYSA-N 0 0 323.204 3.981 50 0 DHAARN CC(=O)c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000000610448 563631771 /nfs/dbraw/zinc/63/17/71/563631771.db2.gz WDOHRJWHDXOIQW-UHFFFAOYSA-N 0 0 316.788 3.907 50 0 DHAARN COc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000000621295 563631853 /nfs/dbraw/zinc/63/18/53/563631853.db2.gz HPZCHRJTMFAJIE-UHFFFAOYSA-N 0 0 314.341 3.550 50 0 DHAARN Cc1ccccc1N[C@H]1SC(=O)N(Cc2ccccc2)C1=O ZINC000001171743 563633183 /nfs/dbraw/zinc/63/31/83/563633183.db2.gz KGJHOJLLDIWOFX-HNNXBMFYSA-N 0 0 312.394 3.629 50 0 DHAARN O=c1c(COCc2ccccc2)cc2cccc3c2n1CCC3 ZINC000001741306 563634475 /nfs/dbraw/zinc/63/44/75/563634475.db2.gz ZKFORVNLXKJVNK-UHFFFAOYSA-N 0 0 305.377 3.665 50 0 DHAARN CCCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C ZINC000003140918 563635566 /nfs/dbraw/zinc/63/55/66/563635566.db2.gz DXGPPDFIZTWUSW-MRXNPFEDSA-N 0 0 324.424 3.737 50 0 DHAARN CCCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000002938804 563635610 /nfs/dbraw/zinc/63/56/10/563635610.db2.gz UKSBERAZAZWFSE-UHFFFAOYSA-N 0 0 313.353 3.514 50 0 DHAARN Cn1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cn1 ZINC000055800925 563636984 /nfs/dbraw/zinc/63/69/84/563636984.db2.gz BGVVVTIKDOJLBT-UHFFFAOYSA-N 0 0 324.211 3.532 50 0 DHAARN O=C(Cc1cccs1)Nc1ncccc1OCc1ccccc1 ZINC000006898807 563639041 /nfs/dbraw/zinc/63/90/41/563639041.db2.gz OTPZSVREYUBEOK-UHFFFAOYSA-N 0 0 324.405 3.903 50 0 DHAARN Cc1ccc2c(c1)nnn2CNc1cccc(Br)c1 ZINC000003159191 563641205 /nfs/dbraw/zinc/64/12/05/563641205.db2.gz OTDPKOPKOQWQHN-UHFFFAOYSA-N 0 0 317.190 3.572 50 0 DHAARN Cc1occc1[S@](=O)Cc1coc(-c2c(F)cccc2F)n1 ZINC000189634734 563642593 /nfs/dbraw/zinc/64/25/93/563642593.db2.gz GAIACDMRXXIVBA-JOCHJYFZSA-N 0 0 323.320 3.829 50 0 DHAARN O=C(/C=C/c1ccccc1)N1CCS[C@@H](c2ccco2)CC1 ZINC000207007051 563643624 /nfs/dbraw/zinc/64/36/24/563643624.db2.gz LIBVRRXLKHKBTQ-KBOKABMXSA-N 0 0 313.422 4.000 50 0 DHAARN Cc1ccc(C(=O)/N=c2\sc3cccc(C)c3n2C)c(C)c1 ZINC000100884873 563645733 /nfs/dbraw/zinc/64/57/33/563645733.db2.gz QDUBXBSVQFURQL-HNENSFHCSA-N 0 0 310.422 3.906 50 0 DHAARN CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccccc1 ZINC000100909157 563646471 /nfs/dbraw/zinc/64/64/71/563646471.db2.gz BJOYZCXSEZKGGT-VLGSPTGOSA-N 0 0 300.358 3.603 50 0 DHAARN COC(=O)[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000169620337 563647228 /nfs/dbraw/zinc/64/72/28/563647228.db2.gz UNSHPYYIAQJNFO-HNNXBMFYSA-N 0 0 302.757 3.870 50 0 DHAARN COc1cccc(C(=O)Nc2nc3ccccc3s2)c1OC ZINC000000496469 563650575 /nfs/dbraw/zinc/65/05/75/563650575.db2.gz VZPBDIXWWHPJDN-UHFFFAOYSA-N 0 0 314.366 3.566 50 0 DHAARN O=c1oc2ccccc2n1CSc1nc2ccccc2s1 ZINC000000495751 563650800 /nfs/dbraw/zinc/65/08/00/563650800.db2.gz BRHLUJVLPMNGRC-UHFFFAOYSA-N 0 0 314.391 3.954 50 0 DHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1Cl ZINC000000499940 563652011 /nfs/dbraw/zinc/65/20/11/563652011.db2.gz ODMKTHQYHUZOSC-HNNXBMFYSA-N 0 0 319.744 3.638 50 0 DHAARN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc3ncccc31)C2=O ZINC000018191952 563652838 /nfs/dbraw/zinc/65/28/38/563652838.db2.gz MQTAOQNEJFBTMA-ORAYPTAESA-N 0 0 308.381 3.551 50 0 DHAARN Cc1cc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)c(C)cc1Cl ZINC000018192337 563653073 /nfs/dbraw/zinc/65/30/73/563653073.db2.gz YXZVXPXOGMCUNF-BETUJISGSA-N 0 0 315.866 3.908 50 0 DHAARN CCSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 ZINC000000507967 563657876 /nfs/dbraw/zinc/65/78/76/563657876.db2.gz UOXPJRIDRYECIL-MRVPVSSYSA-N 0 0 304.444 3.576 50 0 DHAARN Cc1csc(C2=C(N)N([C@@H](C)CCc3ccco3)CC2=O)n1 ZINC000102243255 563658891 /nfs/dbraw/zinc/65/88/91/563658891.db2.gz RCOKUTDXOIVIIR-NSHDSACASA-N 0 0 317.414 3.628 50 0 DHAARN C[C@@H]1C[C@@H](NC(=O)C=C(C2CC2)C2CC2)CN1c1ccccc1 ZINC000081192932 563659903 /nfs/dbraw/zinc/65/99/03/563659903.db2.gz ULZFZGXERKRIAG-RHSMWYFYSA-N 0 0 310.441 3.516 50 0 DHAARN Cc1csc(C2=C(N)N(Cc3ccc(Cl)cc3)CC2=O)n1 ZINC000102726909 563661566 /nfs/dbraw/zinc/66/15/66/563661566.db2.gz RJQBZUVGSGDXKM-UHFFFAOYSA-N 0 0 319.817 3.867 50 0 DHAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2[C@@H]2CC=CCC2)C1 ZINC000102749712 563662031 /nfs/dbraw/zinc/66/20/31/563662031.db2.gz MWHXXHXFNHBNND-QMTHXVAHSA-N 0 0 314.389 3.925 50 0 DHAARN CCOc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 ZINC000000523990 563664604 /nfs/dbraw/zinc/66/46/04/563664604.db2.gz IVRXOQCOHPCQKZ-DLBZAZTESA-N 0 0 320.396 3.823 50 0 DHAARN CCCc1nnc(NC(=O)c2csc3c2CC[C@H](C)C3)s1 ZINC000000538246 563667622 /nfs/dbraw/zinc/66/76/22/563667622.db2.gz TVGCHWDAQMOLPS-VIFPVBQESA-N 0 0 321.471 3.929 50 0 DHAARN COc1ccc(-c2nnc3sc(-c4ccccc4C)nn32)cc1 ZINC000000542805 563668366 /nfs/dbraw/zinc/66/83/66/563668366.db2.gz WZJNBNURFQTMHF-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000000543310 563668779 /nfs/dbraw/zinc/66/87/79/563668779.db2.gz CSFSBBSLGDYJQJ-NZSAHSFTSA-N 0 0 319.420 3.821 50 0 DHAARN COc1ccc(CNC(=O)[C@@H](C)SCc2ccccc2)cc1 ZINC000000566372 563671411 /nfs/dbraw/zinc/67/14/11/563671411.db2.gz AXOCUPLIPMCXPA-CQSZACIVSA-N 0 0 315.438 3.633 50 0 DHAARN Cc1cccc(NC(=O)C[C@H]2C=CCC2)c1C(=O)N1CCCC1 ZINC000046909863 563677832 /nfs/dbraw/zinc/67/78/32/563677832.db2.gz BPWAYZUIVDZVFU-HNNXBMFYSA-N 0 0 312.413 3.526 50 0 DHAARN C[C@H](NC(=O)N(C)Cc1csc2ccccc12)[C@@H]1CCCO1 ZINC000046972503 563678345 /nfs/dbraw/zinc/67/83/45/563678345.db2.gz XIRMQQDNZPPQPG-WFASDCNBSA-N 0 0 318.442 3.610 50 0 DHAARN C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F ZINC000047103155 563678526 /nfs/dbraw/zinc/67/85/26/563678526.db2.gz ZUPXBYOZWRGSPD-AWEZNQCLSA-N 0 0 323.371 3.508 50 0 DHAARN CCO[C@@H](C)c1nc(CN2CCS[C@H](CC)C2)cs1 ZINC000110642190 563679062 /nfs/dbraw/zinc/67/90/62/563679062.db2.gz WHGHSJUVDVVJQZ-WCQYABFASA-N 0 0 300.493 3.568 50 0 DHAARN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H](C)n2ccnc2)o1 ZINC000110633022 563679119 /nfs/dbraw/zinc/67/91/19/563679119.db2.gz PPBJXTHUINBKFI-DZKIICNBSA-N 0 0 315.417 3.599 50 0 DHAARN COc1ccc(NC(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cn1 ZINC000047524290 563681016 /nfs/dbraw/zinc/68/10/16/563681016.db2.gz WIKZKQGCGLMZFV-CFVMTHIKSA-N 0 0 303.406 3.523 50 0 DHAARN Cc1[nH]nc2c1[C@H](c1ccnc3ccccc31)SCC(=O)N2 ZINC000044901210 563686186 /nfs/dbraw/zinc/68/61/86/563686186.db2.gz LWQQZHVFRKIEFB-HNNXBMFYSA-N 0 0 310.382 3.691 50 0 DHAARN COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OC ZINC000044928750 563687015 /nfs/dbraw/zinc/68/70/15/563687015.db2.gz PNDCRAMTQYEPKM-YBEGLDIGSA-N 0 0 313.378 3.789 50 0 DHAARN Cc1cc([C@H]2CCCN2Cc2nc3ccccc3nc2C)on1 ZINC000044975710 563687037 /nfs/dbraw/zinc/68/70/37/563687037.db2.gz XXZLOHMQTQXDPC-QGZVFWFLSA-N 0 0 308.385 3.572 50 0 DHAARN CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1cccnc1 ZINC000108354143 563688246 /nfs/dbraw/zinc/68/82/46/563688246.db2.gz SYJCPUSUXBUERJ-BPLDGKMQSA-N 0 0 307.463 3.506 50 0 DHAARN C[NH+](C)[C@H](CNC(=O)CCC1CCCCC1)c1ccsc1 ZINC000045443911 563689342 /nfs/dbraw/zinc/68/93/42/563689342.db2.gz KDRLIQSTRYJIKD-MRXNPFEDSA-N 0 0 308.491 3.828 50 0 DHAARN CCCOc1cc(C)ccc1NC(=O)N(C)Cc1cc(C)on1 ZINC000047766501 563692849 /nfs/dbraw/zinc/69/28/49/563692849.db2.gz KBKHGOCNRNKEGA-UHFFFAOYSA-N 0 0 317.389 3.744 50 0 DHAARN C[C@H]1C[C@H]1c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)o1 ZINC000048055622 563693356 /nfs/dbraw/zinc/69/33/56/563693356.db2.gz DIRZZAFVWMMRFE-XHDPSFHLSA-N 0 0 313.401 3.828 50 0 DHAARN CCc1noc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000048303117 563695755 /nfs/dbraw/zinc/69/57/55/563695755.db2.gz NRLKGHCAZUFCGL-GOSISDBHSA-N 0 0 319.408 3.780 50 0 DHAARN C[C@H](C(=O)N[C@@H](c1cccs1)C1CCCC1)n1ccnc1 ZINC000048333352 563696424 /nfs/dbraw/zinc/69/64/24/563696424.db2.gz KJGZGQWPECOTKO-IUODEOHRSA-N 0 0 303.431 3.553 50 0 DHAARN S=C(Nc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCO2 ZINC000000610842 563699116 /nfs/dbraw/zinc/69/91/16/563699116.db2.gz XDAYHGJMSNWXKR-UHFFFAOYSA-N 0 0 312.394 3.713 50 0 DHAARN CC1(C)CCCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000112684740 563699663 /nfs/dbraw/zinc/69/96/63/563699663.db2.gz MDJCDHHXWXXQND-UHFFFAOYSA-N 0 0 323.440 3.623 50 0 DHAARN C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(Cl)s1 ZINC000048819370 563699715 /nfs/dbraw/zinc/69/97/15/563699715.db2.gz IJODRJGUSROJSB-SECBINFHSA-N 0 0 313.781 3.738 50 0 DHAARN COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O ZINC000113303383 563701023 /nfs/dbraw/zinc/70/10/23/563701023.db2.gz VZBZUFGPXJGXNJ-UHFFFAOYSA-N 0 0 319.723 3.880 50 0 DHAARN O=C(NCCc1ccsc1)NCc1cccc2ccccc21 ZINC000049343545 563701216 /nfs/dbraw/zinc/70/12/16/563701216.db2.gz FYNYLVIEIXQNCP-UHFFFAOYSA-N 0 0 310.422 3.943 50 0 DHAARN CC(C)CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217290 563701235 /nfs/dbraw/zinc/70/12/35/563701235.db2.gz WYOWEKDJKYGDOP-INIZCTEOSA-N 0 0 311.429 3.829 50 0 DHAARN O=C1C[C@@H](c2ccc(O)cc2)c2cnn(Cc3ccccc3)c2N1 ZINC000049549699 563701603 /nfs/dbraw/zinc/70/16/03/563701603.db2.gz NRDSZAHIBZHGCJ-INIZCTEOSA-N 0 0 319.364 3.761 50 0 DHAARN CCOC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl ZINC000118454194 563701652 /nfs/dbraw/zinc/70/16/52/563701652.db2.gz NSEOGVJCSRCOJY-UHFFFAOYSA-N 0 0 318.682 3.721 50 0 DHAARN O=C1CS[C@H](c2cccnc2)c2cnn(-c3ccccc3)c2N1 ZINC000049544800 563701866 /nfs/dbraw/zinc/70/18/66/563701866.db2.gz VAQGORJRXZDFCQ-MRXNPFEDSA-N 0 0 322.393 3.692 50 0 DHAARN CN(Cc1cccnc1)C(=O)c1cc2c(s1)CCCCC2 ZINC000049945447 563702475 /nfs/dbraw/zinc/70/24/75/563702475.db2.gz NBCSMIZACZXWPM-UHFFFAOYSA-N 0 0 300.427 3.684 50 0 DHAARN Cc1nc(C)c(C(=O)N2CCCCC[C@H]2c2ccncc2)s1 ZINC000049765673 563702598 /nfs/dbraw/zinc/70/25/98/563702598.db2.gz VRRFWOLQPNZRRZ-HNNXBMFYSA-N 0 0 315.442 3.912 50 0 DHAARN O=C(OCc1cc(-c2cccs2)on1)c1cccc(F)c1 ZINC000012236713 563703303 /nfs/dbraw/zinc/70/33/03/563703303.db2.gz YPLAEEVIVVQHPH-UHFFFAOYSA-N 0 0 303.314 3.899 50 0 DHAARN COC[C@@H](c1ccccn1)N(C)Cc1cc(-c2ccccc2)no1 ZINC000215149208 563704677 /nfs/dbraw/zinc/70/46/77/563704677.db2.gz RNCGUBKTRGYSFH-IBGZPJMESA-N 0 0 323.396 3.556 50 0 DHAARN COc1ccccc1CN(C(=O)[C@@H]1CCCCO1)C1CCCC1 ZINC000215612236 563706479 /nfs/dbraw/zinc/70/64/79/563706479.db2.gz OGRRLVBQGDBVDL-SFHVURJKSA-N 0 0 317.429 3.536 50 0 DHAARN COc1cc(Cl)c(CN2CCC(F)(F)CC2)cc1OC ZINC000215559661 563706533 /nfs/dbraw/zinc/70/65/33/563706533.db2.gz JBWUUIZDOIZLGX-UHFFFAOYSA-N 0 0 305.752 3.588 50 0 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563820175 /nfs/dbraw/zinc/82/01/75/563820175.db2.gz GXDBNFJWXGSQNJ-HIFRSBDPSA-N 0 0 316.401 3.677 50 0 DHAARN O=C(CSC(F)(F)F)Nc1ccnn1C1CCCCC1 ZINC000073901442 563823544 /nfs/dbraw/zinc/82/35/44/563823544.db2.gz SGZGYADGDDIZEG-UHFFFAOYSA-N 0 0 307.341 3.580 50 0 DHAARN Cc1ccc(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)cc1 ZINC000084148626 563823806 /nfs/dbraw/zinc/82/38/06/563823806.db2.gz DJZNTDJMWHNIFK-UHFFFAOYSA-N 0 0 306.402 3.577 50 0 DHAARN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc[nH]c2=O)cc1 ZINC000084284345 563825618 /nfs/dbraw/zinc/82/56/18/563825618.db2.gz HLVWJGSVKIPAOI-KRWDZBQOSA-N 0 0 324.424 3.650 50 0 DHAARN CCSc1ccc(Cl)cc1C(=O)NC[C@H](C)C[C@H](C)O ZINC000084301811 563825745 /nfs/dbraw/zinc/82/57/45/563825745.db2.gz WFIPATHMMXZWDC-MNOVXSKESA-N 0 0 315.866 3.589 50 0 DHAARN COC(=O)Nc1ccccc1OCc1ncc(C(C)(C)C)o1 ZINC000084284687 563825842 /nfs/dbraw/zinc/82/58/42/563825842.db2.gz KFZFLNFTIYKNRJ-UHFFFAOYSA-N 0 0 304.346 3.729 50 0 DHAARN Nc1c(Cl)cc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1Cl ZINC000084422140 563826885 /nfs/dbraw/zinc/82/68/85/563826885.db2.gz SZFIJRCVESPJND-MNOVXSKESA-N 0 0 322.195 3.713 50 0 DHAARN O=C(NCc1ccc(-c2ccccc2)o1)[C@@H]1C[C@H]1c1ccco1 ZINC000084562707 563827524 /nfs/dbraw/zinc/82/75/24/563827524.db2.gz OSSRJIQUNQOCDX-HZPDHXFCSA-N 0 0 307.349 3.960 50 0 DHAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000084651715 563828846 /nfs/dbraw/zinc/82/88/46/563828846.db2.gz RLGISGJQXBHHHP-MRVPVSSYSA-N 0 0 309.774 3.621 50 0 DHAARN COC(=O)c1ccc([C@@H](C)N(C)Cc2ccc(Cl)s2)o1 ZINC000084651701 563829228 /nfs/dbraw/zinc/82/92/28/563829228.db2.gz TWRLNSUYMZVCJS-SECBINFHSA-N 0 0 313.806 3.974 50 0 DHAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1ccccc1 ZINC000012778395 563829628 /nfs/dbraw/zinc/82/96/28/563829628.db2.gz YIWRFNOYGBFTJC-HNNXBMFYSA-N 0 0 321.829 3.866 50 0 DHAARN CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)CC(=O)OC ZINC000084743169 563830836 /nfs/dbraw/zinc/83/08/36/563830836.db2.gz HISVKLARFKQFED-AWEZNQCLSA-N 0 0 323.408 3.544 50 0 DHAARN CCOc1cc(CNc2ccc(OC)nc2)cc(Cl)c1OC ZINC000084804957 563831547 /nfs/dbraw/zinc/83/15/47/563831547.db2.gz ACWYYYMDRIFPCP-UHFFFAOYSA-N 0 0 322.792 3.763 50 0 DHAARN O=C(Nc1ccccc1)[C@H]1CCCN1Cc1cccc(F)c1F ZINC000012813366 563836363 /nfs/dbraw/zinc/83/63/63/563836363.db2.gz WZNDQVBLLIQLRB-MRXNPFEDSA-N 0 0 316.351 3.568 50 0 DHAARN CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 ZINC000012817466 563837560 /nfs/dbraw/zinc/83/75/60/563837560.db2.gz TWYJRVHSYPDYEP-ZDUSSCGKSA-N 0 0 321.417 3.818 50 0 DHAARN COc1ccc(C(=O)CN2CCC(c3cccs3)CC2)cc1 ZINC000085473472 563838249 /nfs/dbraw/zinc/83/82/49/563838249.db2.gz JTCFLVAFDUNWTP-UHFFFAOYSA-N 0 0 315.438 3.819 50 0 DHAARN O=C([C@@H]1CC=CCC1)N1CCC(CSc2ccccn2)CC1 ZINC000085557632 563839279 /nfs/dbraw/zinc/83/92/79/563839279.db2.gz GSBLGIGUFGJVQF-MRXNPFEDSA-N 0 0 316.470 3.769 50 0 DHAARN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)cc(F)c1 ZINC000012820583 563840197 /nfs/dbraw/zinc/84/01/97/563840197.db2.gz GVYIPGAHYOVSDJ-RYUDHWBXSA-N 0 0 307.262 3.816 50 0 DHAARN COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1C ZINC000012821979 563841082 /nfs/dbraw/zinc/84/10/82/563841082.db2.gz ZTWPQOKNVFHVNH-UHFFFAOYSA-N 0 0 316.426 3.981 50 0 DHAARN COc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)c(OC)c1 ZINC000000310525 563842737 /nfs/dbraw/zinc/84/27/37/563842737.db2.gz HCAYCDXYGKSYRT-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN CC1=CC[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 ZINC000001513123 563843956 /nfs/dbraw/zinc/84/39/56/563843956.db2.gz CKCAAVSMPGZWFA-MNOVXSKESA-N 0 0 310.180 3.839 50 0 DHAARN Cc1nc(C)c(CNC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000086071760 563844456 /nfs/dbraw/zinc/84/44/56/563844456.db2.gz HOCFSWLIKZTJQI-UHFFFAOYSA-N 0 0 313.785 3.874 50 0 DHAARN CC(C)c1nc(CNc2ccccc2N2CCCCC2)no1 ZINC000086188858 563844897 /nfs/dbraw/zinc/84/48/97/563844897.db2.gz RPKJTZSPUINPBC-UHFFFAOYSA-N 0 0 300.406 3.795 50 0 DHAARN Cc1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000012854077 563844952 /nfs/dbraw/zinc/84/49/52/563844952.db2.gz WUBYEQYZDZTBAP-UHFFFAOYSA-N 0 0 320.396 3.845 50 0 DHAARN CC(C)[C@@H](C)N(C(=O)N[C@H](c1nccs1)C1CC1)C1CC1 ZINC000086424641 563845461 /nfs/dbraw/zinc/84/54/61/563845461.db2.gz WQHCPYZSAFVAAT-RISCZKNCSA-N 0 0 307.463 3.813 50 0 DHAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000012861425 563845574 /nfs/dbraw/zinc/84/55/74/563845574.db2.gz ARZFXVPDUSZENX-OAHLLOKOSA-N 0 0 309.365 3.532 50 0 DHAARN CCc1cnc([C@H](C)NC(=O)N([C@H](C)C(C)C)C2CC2)s1 ZINC000086428810 563845578 /nfs/dbraw/zinc/84/55/78/563845578.db2.gz WICNICMXXIERSK-NWDGAFQWSA-N 0 0 309.479 3.985 50 0 DHAARN CCc1cnc([C@H](C)NC(=O)N([C@@H](C)C(C)C)C2CC2)s1 ZINC000086428808 563845610 /nfs/dbraw/zinc/84/56/10/563845610.db2.gz WICNICMXXIERSK-RYUDHWBXSA-N 0 0 309.479 3.985 50 0 DHAARN O=C(Nc1ccc(F)cc1)OC[C@@H]1COc2ccccc2C1 ZINC000000399410 563846093 /nfs/dbraw/zinc/84/60/93/563846093.db2.gz UHXZRODGCWXPKM-LBPRGKRZSA-N 0 0 301.317 3.626 50 0 DHAARN O=S(=O)(Cc1ccccc1)C(Cl)(Cl)c1ccccc1 ZINC000001702003 563846719 /nfs/dbraw/zinc/84/67/19/563846719.db2.gz MTTPKLOSMYAEAE-UHFFFAOYSA-N 0 0 315.221 3.890 50 0 DHAARN CC(=O)c1cccc(NC(=O)Oc2cc(=O)oc3ccccc23)c1 ZINC000001741649 563846789 /nfs/dbraw/zinc/84/67/89/563846789.db2.gz TYVSBAYPMUISKL-UHFFFAOYSA-N 0 0 323.304 3.607 50 0 DHAARN COc1cccc(CNC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000012870173 563846791 /nfs/dbraw/zinc/84/67/91/563846791.db2.gz JBKNMUHYRIGHSB-SFHVURJKSA-N 0 0 310.397 3.646 50 0 DHAARN Cc1cc(C)c(NC(=O)CN(C)Cc2ccsc2)c(C)c1 ZINC000012882389 563851846 /nfs/dbraw/zinc/85/18/46/563851846.db2.gz AOKYEWGANOYNSI-UHFFFAOYSA-N 0 0 302.443 3.744 50 0 DHAARN COc1ccc([C@H]2CCCN2C(=O)c2ccsc2)c(OC)c1 ZINC000012890384 563852503 /nfs/dbraw/zinc/85/25/03/563852503.db2.gz QTWRTDNYRZZPAE-OAHLLOKOSA-N 0 0 317.410 3.743 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1 ZINC000012886882 563852828 /nfs/dbraw/zinc/85/28/28/563852828.db2.gz VHKNENGHUWSECL-OAHLLOKOSA-N 0 0 300.427 3.696 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000012908293 563853187 /nfs/dbraw/zinc/85/31/87/563853187.db2.gz YJPGQTXYGRSLNG-QGZVFWFLSA-N 0 0 315.438 3.829 50 0 DHAARN Cc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1C ZINC000012901607 563853451 /nfs/dbraw/zinc/85/34/51/563853451.db2.gz NVTMTJLKFRQWTC-UHFFFAOYSA-N 0 0 316.426 3.514 50 0 DHAARN COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1F ZINC000012915500 563854019 /nfs/dbraw/zinc/85/40/19/563854019.db2.gz DXCLAGLGBBVBOK-KRWDZBQOSA-N 0 0 313.372 3.984 50 0 DHAARN O=C1C=C(NCc2ccc(F)cc2)C(=O)C[C@H](c2ccccc2)C1 ZINC000005635410 563854687 /nfs/dbraw/zinc/85/46/87/563854687.db2.gz AIGOYTAKDHAQNZ-MRXNPFEDSA-N 0 0 323.367 3.515 50 0 DHAARN COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)ccc1O ZINC000005747835 563854697 /nfs/dbraw/zinc/85/46/97/563854697.db2.gz VUMMYYJJFKVJIE-YBEGLDIGSA-N 0 0 322.364 3.515 50 0 DHAARN Cc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1F ZINC000012926384 563854869 /nfs/dbraw/zinc/85/48/69/563854869.db2.gz ZYFPMKFEHMZWJH-OAHLLOKOSA-N 0 0 305.736 3.730 50 0 DHAARN CCOc1cc2c(cc1NC(=O)c1ccc(F)cc1)O[C@H](C)C2 ZINC000012927241 563855108 /nfs/dbraw/zinc/85/51/08/563855108.db2.gz CVROPFHKAWMWOY-LLVKDONJSA-N 0 0 315.344 3.800 50 0 DHAARN Cc1coc(-c2cccc(NC(=O)N(C)CC(F)(F)F)c2)n1 ZINC000186623694 563856654 /nfs/dbraw/zinc/85/66/54/563856654.db2.gz BHRZRICWRBOSDI-UHFFFAOYSA-N 0 0 313.279 3.676 50 0 DHAARN CC[C@H](NCc1cnc2c(C)cccn12)c1nc2ccccc2[nH]1 ZINC000075092227 563859068 /nfs/dbraw/zinc/85/90/68/563859068.db2.gz MURMDEJGUOSMLD-HNNXBMFYSA-N 0 0 319.412 3.760 50 0 DHAARN Cc1noc(C)c1[C@@H](C)C(=O)Oc1cccc2c1CCCC2=O ZINC000078949082 563859216 /nfs/dbraw/zinc/85/92/16/563859216.db2.gz JHWDXGRBMJWZDX-SNVBAGLBSA-N 0 0 313.353 3.520 50 0 DHAARN Cc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)cc1C ZINC000075105307 563859673 /nfs/dbraw/zinc/85/96/73/563859673.db2.gz LGHOILXYXPPFOW-UHFFFAOYSA-N 0 0 307.349 3.971 50 0 DHAARN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)c1cccc[n+]1[O-] ZINC000075105480 563859929 /nfs/dbraw/zinc/85/99/29/563859929.db2.gz BUUPBOCPYQYQIN-GOSISDBHSA-N 0 0 324.424 3.541 50 0 DHAARN CC(C)(C)[C@H](O)CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000075157761 563861450 /nfs/dbraw/zinc/86/14/50/563861450.db2.gz HASBJUHBBFODGT-GOSISDBHSA-N 0 0 311.425 3.881 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(c2ccsc2)CC1 ZINC000075157115 563861468 /nfs/dbraw/zinc/86/14/68/563861468.db2.gz ADIGZCKKPFDAJH-AWEZNQCLSA-N 0 0 315.438 3.922 50 0 DHAARN Fc1ccc(-c2nnc(-c3ccccc3)c(N3CCCC3)n2)cc1 ZINC000075260910 563861840 /nfs/dbraw/zinc/86/18/40/563861840.db2.gz OGSHPYUEVYYZTH-UHFFFAOYSA-N 0 0 320.371 3.945 50 0 DHAARN COc1ccc(NC2=NC(=O)C[C@@H](c3ccccc3)S2)cc1 ZINC000075283051 563862848 /nfs/dbraw/zinc/86/28/48/563862848.db2.gz VFGFLJQUXCTCHY-HNNXBMFYSA-N 0 0 312.394 3.868 50 0 DHAARN Cc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)n[nH]2)c(C)c1 ZINC000075351807 563864242 /nfs/dbraw/zinc/86/42/42/563864242.db2.gz RJCCXVACHXFTFI-UHFFFAOYSA-N 0 0 317.352 3.806 50 0 DHAARN Cc1ccccc1NC(=O)NCC[C@@H](CCO)c1ccsc1 ZINC000575608751 563865090 /nfs/dbraw/zinc/86/50/90/563865090.db2.gz YATWKTFXKHIUJR-AWEZNQCLSA-N 0 0 318.442 3.734 50 0 DHAARN Cc1ccccc1NC(=O)NCC[C@@H](CCO)c1cccs1 ZINC000575608696 563865262 /nfs/dbraw/zinc/86/52/62/563865262.db2.gz VYMPDCAXNZNCTG-AWEZNQCLSA-N 0 0 318.442 3.734 50 0 DHAARN O=C(NCc1ccc(-c2ccoc2)o1)NCc1cccs1 ZINC000575610163 563865538 /nfs/dbraw/zinc/86/55/38/563865538.db2.gz LETUKUILOMTMFQ-UHFFFAOYSA-N 0 0 302.355 3.601 50 0 DHAARN C[C@H]1CCN(C(=O)CCCc2ccccn2)[C@H](c2ccco2)C1 ZINC000075389782 563865776 /nfs/dbraw/zinc/86/57/76/563865776.db2.gz ZHFTYFBDCNZZJC-RDJZCZTQSA-N 0 0 312.413 3.997 50 0 DHAARN CCn1cnc2cc(-c3noc(-c4ccccc4F)n3)ccc21 ZINC000035453527 563867752 /nfs/dbraw/zinc/86/77/52/563867752.db2.gz IKTZEWZXTGOFJW-UHFFFAOYSA-N 0 0 308.316 3.912 50 0 DHAARN C[NH+](C)[C@H](CNC(=O)c1ccsc1)c1cc2ccccc2o1 ZINC000575621582 563868119 /nfs/dbraw/zinc/86/81/19/563868119.db2.gz PSJZTLCZVZIVSL-CQSZACIVSA-N 0 0 314.410 3.527 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)c1cc(-c2ccncc2)[nH]n1 ZINC000035507925 563870998 /nfs/dbraw/zinc/87/09/98/563870998.db2.gz RCVGVAPVAJUJIC-UHFFFAOYSA-N 0 0 318.380 3.603 50 0 DHAARN COc1ccc2c(cc(C(=O)N[C@@H](C)c3ccccc3)n2C)c1 ZINC000035558583 563872433 /nfs/dbraw/zinc/87/24/33/563872433.db2.gz HJTYJCJSLBNJIJ-ZDUSSCGKSA-N 0 0 308.381 3.678 50 0 DHAARN O=C(Nc1ccncc1F)c1cccc(C(F)(F)F)c1F ZINC000123022946 563872891 /nfs/dbraw/zinc/87/28/91/563872891.db2.gz VGIHPPSDTZGRPG-UHFFFAOYSA-N 0 0 302.202 3.631 50 0 DHAARN CN1c2ccccc2/C(=C\c2ccc(Br)cc2)C1=O ZINC000026821468 563872917 /nfs/dbraw/zinc/87/29/17/563872917.db2.gz NQKLYDSSGXCLDH-GXDHUFHOSA-N 0 0 314.182 3.966 50 0 DHAARN CC1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000013011060 563875471 /nfs/dbraw/zinc/87/54/71/563875471.db2.gz NENOFIFHPHZWDF-UHFFFAOYSA-N 0 0 323.440 3.670 50 0 DHAARN CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000090762849 563875702 /nfs/dbraw/zinc/87/57/02/563875702.db2.gz ZVSACHBDANCMJU-RYUDHWBXSA-N 0 0 315.417 3.704 50 0 DHAARN Cc1ccccc1OCCN(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000013012802 563876123 /nfs/dbraw/zinc/87/61/23/563876123.db2.gz TXMVFRALIHWDRX-UHFFFAOYSA-N 0 0 322.408 3.556 50 0 DHAARN C[C@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)CO1 ZINC000091088554 563877525 /nfs/dbraw/zinc/87/75/25/563877525.db2.gz TZXGUFGXHSCVIA-LBPRGKRZSA-N 0 0 320.820 3.994 50 0 DHAARN c1ccc(-c2nnc3ccc(N4CCCCCCC4)nn32)cc1 ZINC000053548882 563879067 /nfs/dbraw/zinc/87/90/67/563879067.db2.gz UGWDVWOPPIBUAA-UHFFFAOYSA-N 0 0 307.401 3.562 50 0 DHAARN CCCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 ZINC000001800722 563879096 /nfs/dbraw/zinc/87/90/96/563879096.db2.gz FCHPEBQAIOOVEY-UHFFFAOYSA-N 0 0 315.325 3.570 50 0 DHAARN CCCSc1nc2ccc(NS(=O)(=O)CC)cc2s1 ZINC000075544771 563881365 /nfs/dbraw/zinc/88/13/65/563881365.db2.gz VJCUFCNRLARHOS-UHFFFAOYSA-N 0 0 316.473 3.560 50 0 DHAARN O=C(Nc1ccc(Oc2cnc3ccccc3n2)cc1)C1CC1 ZINC000054060358 563882640 /nfs/dbraw/zinc/88/26/40/563882640.db2.gz FEHMAMPYKRKFAJ-UHFFFAOYSA-N 0 0 305.337 3.771 50 0 DHAARN CCOc1ccc2ccccc2c1COC(=O)[C@@H]1CCO[C@@H]1C ZINC000092309401 563882690 /nfs/dbraw/zinc/88/26/90/563882690.db2.gz TWYWSADOLPKJPC-UKRRQHHQSA-N 0 0 314.381 3.707 50 0 DHAARN CCOc1ccc(CNC(=O)CCc2cccc3[nH]ccc32)cc1 ZINC000075550521 563883378 /nfs/dbraw/zinc/88/33/78/563883378.db2.gz ACKAGGWASQAMJO-UHFFFAOYSA-N 0 0 322.408 3.816 50 0 DHAARN CCc1nnc(CSCc2cc(-c3ccccc3)on2)o1 ZINC000089296272 563884348 /nfs/dbraw/zinc/88/43/48/563884348.db2.gz BCNMYCIGPDMQBO-UHFFFAOYSA-N 0 0 301.371 3.720 50 0 DHAARN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)CCc1ccco1 ZINC000089336793 563884746 /nfs/dbraw/zinc/88/47/46/563884746.db2.gz CFWSTGFMQHYFNT-IAGOWNOFSA-N 0 0 307.434 3.702 50 0 DHAARN COC(=O)N(C)c1ccc(NCc2cccc3[nH]ccc32)cc1 ZINC000089365241 563884859 /nfs/dbraw/zinc/88/48/59/563884859.db2.gz JKMYAMKKAHITDC-UHFFFAOYSA-N 0 0 309.369 3.983 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)Nc2ncc(C(C)C)s2)cc1 ZINC000192390458 563885670 /nfs/dbraw/zinc/88/56/70/563885670.db2.gz GYVYGSBYKMJDPA-UHFFFAOYSA-N 0 0 318.402 3.869 50 0 DHAARN Cc1cc2oc(-c3ccc4c(c3)OCCO4)cc(=O)c2cc1C ZINC000000135854 563886635 /nfs/dbraw/zinc/88/66/35/563886635.db2.gz FCOIBZINEBSYGO-UHFFFAOYSA-N 0 0 308.333 3.848 50 0 biogenic DHAARN Cc1noc2ncnc(N3CC=C(c4cc(C)cc(C)c4)CC3)c12 ZINC000192519116 563887387 /nfs/dbraw/zinc/88/73/87/563887387.db2.gz OCAKYVCJKYRLPT-UHFFFAOYSA-N 0 0 320.396 3.837 50 0 DHAARN COc1ccc(C)cc1NC(=O)CNc1ccc(F)c(Cl)c1 ZINC000007972585 563890266 /nfs/dbraw/zinc/89/02/66/563890266.db2.gz WFJOUTYMZXONKY-UHFFFAOYSA-N 0 0 322.767 3.847 50 0 DHAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NC(=S)N2)cc1 ZINC000002491387 563890900 /nfs/dbraw/zinc/89/09/00/563890900.db2.gz LYWHJBJIWRDEGC-QGZVFWFLSA-N 0 0 310.422 3.975 50 0 DHAARN CCCCCOC(=O)c1cccc(C(=O)OCCCCC)n1 ZINC000002061765 563891889 /nfs/dbraw/zinc/89/18/89/563891889.db2.gz PONGQFFDPLOECH-UHFFFAOYSA-N 0 0 307.390 3.776 50 0 DHAARN O=C(C1CCC1)N1CCC(CCOCc2ccccc2)CC1 ZINC000064677974 563892185 /nfs/dbraw/zinc/89/21/85/563892185.db2.gz UVVJRIMRBPOLJY-UHFFFAOYSA-N 0 0 301.430 3.632 50 0 DHAARN Cc1ccsc1C(=O)NCc1ccc2c(c1)ncn2C(C)C ZINC000064754865 563892724 /nfs/dbraw/zinc/89/27/24/563892724.db2.gz YFENOQAPTGSFKZ-UHFFFAOYSA-N 0 0 313.426 3.917 50 0 DHAARN CCN(CC)C(=O)c1csc(COc2ccccc2Cl)n1 ZINC000036084018 563892863 /nfs/dbraw/zinc/89/28/63/563892863.db2.gz UCUVWVNUTWRDPU-UHFFFAOYSA-N 0 0 324.833 3.858 50 0 DHAARN CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1OC ZINC000036097288 563892891 /nfs/dbraw/zinc/89/28/91/563892891.db2.gz PMOVTNFPCWBFTG-KRWDZBQOSA-N 0 0 323.477 3.713 50 0 DHAARN CC[C@H](C)NC(=O)c1csc(COc2cccc(C)c2C)n1 ZINC000036084428 563892905 /nfs/dbraw/zinc/89/29/05/563892905.db2.gz DLCYLZYUQVHUEW-LBPRGKRZSA-N 0 0 318.442 3.867 50 0 DHAARN Cc1c(Cl)cccc1NC(=O)N1CCN(C)c2ncccc21 ZINC000064929480 563894832 /nfs/dbraw/zinc/89/48/32/563894832.db2.gz PVQDIJYYZHDUJR-UHFFFAOYSA-N 0 0 316.792 3.532 50 0 DHAARN C[C@H](CNC(=O)[C@H](C)n1cnc2ccccc21)c1ccccc1 ZINC000036260054 563894846 /nfs/dbraw/zinc/89/48/46/563894846.db2.gz BDITURCYQDLMME-CABCVRRESA-N 0 0 307.397 3.517 50 0 DHAARN Cc1ccc(CO[C@H]2CCCN(C(=O)CC(C)(C)C)C2)cc1 ZINC000036314743 563895195 /nfs/dbraw/zinc/89/51/95/563895195.db2.gz OVDGZUPBBMFKEF-KRWDZBQOSA-N 0 0 303.446 3.939 50 0 DHAARN O=C(Cc1cccc(F)c1)Nc1ccccc1N1CCCCC1 ZINC000006822588 563895519 /nfs/dbraw/zinc/89/55/19/563895519.db2.gz XVKNSDVRTOTPKE-UHFFFAOYSA-N 0 0 312.388 3.997 50 0 DHAARN O=C(Nc1ccccn1)c1cc2occc2n1Cc1ccccc1 ZINC000036353050 563895836 /nfs/dbraw/zinc/89/58/36/563895836.db2.gz MSKVWCMODCFSBR-UHFFFAOYSA-N 0 0 317.348 3.930 50 0 DHAARN Cc1ccc(C)c(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000151240924 563896287 /nfs/dbraw/zinc/89/62/87/563896287.db2.gz DUVPBIOLKIWHEG-UHFFFAOYSA-N 0 0 323.371 3.809 50 0 DHAARN C[C@H]1CN(C(=O)NCc2ccccc2)c2cc(Cl)ccc2O1 ZINC000006842927 563896708 /nfs/dbraw/zinc/89/67/08/563896708.db2.gz BLOMFVTZEBYYPV-LBPRGKRZSA-N 0 0 316.788 3.837 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@@H]3CCCC[C@@H]3C)c2c1 ZINC000006866218 563897552 /nfs/dbraw/zinc/89/75/52/563897552.db2.gz VUXXHRUEGZWTPI-GXTWGEPZSA-N 0 0 301.390 3.514 50 0 DHAARN COc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]C1CCC(C)CC1 ZINC000006894400 563899293 /nfs/dbraw/zinc/89/92/93/563899293.db2.gz HOIJRVMRXYRKRL-UHFFFAOYSA-N 0 0 316.401 3.543 50 0 DHAARN CSc1ncc(C(=O)Nc2c(C)cc(C)cc2C)c(C)n1 ZINC000006937973 563899980 /nfs/dbraw/zinc/89/99/80/563899980.db2.gz WAJXVZOGPKWDSD-UHFFFAOYSA-N 0 0 301.415 3.684 50 0 DHAARN COc1cccc(CNC(=O)COc2ccccc2C(C)C)c1 ZINC000006946424 563900049 /nfs/dbraw/zinc/90/00/49/563900049.db2.gz XNYIRJJUZPEKFU-UHFFFAOYSA-N 0 0 313.397 3.514 50 0 DHAARN Cc1ccc2nc(Nc3cccc(Cl)c3C)c3nnnn3c2c1 ZINC000006941540 563900086 /nfs/dbraw/zinc/90/00/86/563900086.db2.gz VQOWXVQEGXPFMU-UHFFFAOYSA-N 0 0 324.775 3.686 50 0 DHAARN COc1cccc(C(=O)CSc2nc(C)nc3ccccc32)c1 ZINC000006935923 563900108 /nfs/dbraw/zinc/90/01/08/563900108.db2.gz JUTAMOHMOGKDSN-UHFFFAOYSA-N 0 0 324.405 3.922 50 0 DHAARN Cc1ccc(-c2nnc([C@H](C)Sc3cccc[n+]3[O-])o2)cc1 ZINC000006988598 563901046 /nfs/dbraw/zinc/90/10/46/563901046.db2.gz NXWWXNXMYLWJTK-LBPRGKRZSA-N 0 0 313.382 3.532 50 0 DHAARN O=C(NCc1ccco1)c1nc2ccccn2c1-c1ccsc1 ZINC000065232168 563901149 /nfs/dbraw/zinc/90/11/49/563901149.db2.gz GFRRYPSSFKSPLJ-UHFFFAOYSA-N 0 0 323.377 3.586 50 0 DHAARN CCC(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000007016161 563901260 /nfs/dbraw/zinc/90/12/60/563901260.db2.gz ODFFIYDNJZFVGS-GOSISDBHSA-N 0 0 316.328 3.887 50 0 DHAARN Cc1cc2occ(CC(=O)Oc3ccc4c(c3)OCO4)c2cc1C ZINC000007060325 563901799 /nfs/dbraw/zinc/90/17/99/563901799.db2.gz CLYJXVHSGIJLAU-UHFFFAOYSA-N 0 0 324.332 3.926 50 0 DHAARN CN(Cc1cccnc1Oc1ccccc1)C(=O)c1cccnc1 ZINC000065267078 563901872 /nfs/dbraw/zinc/90/18/72/563901872.db2.gz IUOBUQXRPBOUMG-UHFFFAOYSA-N 0 0 319.364 3.541 50 0 DHAARN CN(Cc1cccnc1Oc1ccccc1)C(=O)c1ccccn1 ZINC000065267098 563901899 /nfs/dbraw/zinc/90/18/99/563901899.db2.gz BORGXBNTIVRHRH-UHFFFAOYSA-N 0 0 319.364 3.541 50 0 DHAARN Cc1ccc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 ZINC000007071488 563902337 /nfs/dbraw/zinc/90/23/37/563902337.db2.gz FRORLYKCYNXJKB-FMIVXFBMSA-N 0 0 303.365 3.833 50 0 DHAARN CC(C)CCC[C@H](C)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000036661293 563902527 /nfs/dbraw/zinc/90/25/27/563902527.db2.gz XZRYDMSCDVGIAZ-VBQJREDUSA-N 0 0 305.418 3.546 50 0 DHAARN Clc1ccc(CNc2nnc([C@@H]3CCCO3)o2)cc1Cl ZINC000170066967 563903713 /nfs/dbraw/zinc/90/37/13/563903713.db2.gz ULSPXHSEPNSOTL-NSHDSACASA-N 0 0 314.172 3.840 50 0 DHAARN Cc1sc(Br)nc1C(=O)Nc1ccc(C)cc1 ZINC000253432990 563925747 /nfs/dbraw/zinc/92/57/47/563925747.db2.gz QOCHEZAGNSOUOI-UHFFFAOYSA-N 0 0 311.204 3.775 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)N[C@H](C)c1cccs1 ZINC000036783953 563904187 /nfs/dbraw/zinc/90/41/87/563904187.db2.gz KWDACHFSDZVWGK-GFCCVEGCSA-N 0 0 313.426 3.538 50 0 DHAARN Cc1ccc(-c2csc(=S)n2CC(=O)NCC2CC2)cc1 ZINC000036803128 563904562 /nfs/dbraw/zinc/90/45/62/563904562.db2.gz XMJDCFLAICQQQJ-UHFFFAOYSA-N 0 0 318.467 3.781 50 0 DHAARN Cc1cc(=O)oc2cc(OC(=O)CCc3ccsc3)ccc12 ZINC000007211622 563904578 /nfs/dbraw/zinc/90/45/78/563904578.db2.gz RMXGTIKSACLNQP-UHFFFAOYSA-N 0 0 314.362 3.701 50 0 DHAARN COc1ccc(Cl)cc1Nc1cc(=O)[nH]c2ccccc12 ZINC000139105802 563904904 /nfs/dbraw/zinc/90/49/04/563904904.db2.gz RRUFAAMGLRXYFS-UHFFFAOYSA-N 0 0 300.745 3.934 50 0 DHAARN CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2F)cc1 ZINC000007269959 563904940 /nfs/dbraw/zinc/90/49/40/563904940.db2.gz MTEMFQVHPIQUMI-UHFFFAOYSA-N 0 0 315.388 3.932 50 0 DHAARN COc1cc(C)c(COc2ccccc2NC(C)=O)cc1OC ZINC000007263218 563904948 /nfs/dbraw/zinc/90/49/48/563904948.db2.gz REOFVSJRDHAYTR-UHFFFAOYSA-N 0 0 315.369 3.550 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000007309988 563905064 /nfs/dbraw/zinc/90/50/64/563905064.db2.gz OQJUADZCRZHTDK-AWEZNQCLSA-N 0 0 321.467 3.891 50 0 DHAARN CCCSc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000007345360 563905324 /nfs/dbraw/zinc/90/53/24/563905324.db2.gz AQTLNCNCKFUZIL-UHFFFAOYSA-N 0 0 307.444 3.612 50 0 DHAARN COc1ccccc1NC(=O)[C@H](C)Nc1ccc(Cl)cc1 ZINC000007383965 563905748 /nfs/dbraw/zinc/90/57/48/563905748.db2.gz RVHCPTNUICAMBV-NSHDSACASA-N 0 0 304.777 3.788 50 0 DHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000007386598 563905811 /nfs/dbraw/zinc/90/58/11/563905811.db2.gz ZDDFDEBEUGZOAV-UHFFFAOYSA-N 0 0 313.781 3.694 50 0 DHAARN CCCc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1 ZINC000007405632 563906070 /nfs/dbraw/zinc/90/60/70/563906070.db2.gz NFXCWRJIABRCEN-UHFFFAOYSA-N 0 0 307.390 3.887 50 0 DHAARN CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 ZINC000007409003 563906081 /nfs/dbraw/zinc/90/60/81/563906081.db2.gz ZVPCSDXDIBNEDO-UHFFFAOYSA-N 0 0 323.801 3.652 50 0 DHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c1 ZINC000007405593 563906163 /nfs/dbraw/zinc/90/61/63/563906163.db2.gz HRBUBPMTJWHEFW-UHFFFAOYSA-N 0 0 313.781 3.897 50 0 DHAARN CC[C@@H](C)C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 ZINC000037143069 563906337 /nfs/dbraw/zinc/90/63/37/563906337.db2.gz JRAAQJABFOSELN-SSDOTTSWSA-N 0 0 314.361 3.695 50 0 DHAARN CC(=O)Nc1cc(NCc2c[nH]c(-c3ccccc3)n2)ccc1F ZINC000170591050 563906699 /nfs/dbraw/zinc/90/66/99/563906699.db2.gz SKWNVRPZOOCQCT-UHFFFAOYSA-N 0 0 324.359 3.786 50 0 DHAARN Cc1cc(N[C@@H]2c3ccccc3CCC[C@H]2C)n2ncnc2n1 ZINC000170596134 563906940 /nfs/dbraw/zinc/90/69/40/563906940.db2.gz GPBPZMLLCGZLOK-PXAZEXFGSA-N 0 0 307.401 3.558 50 0 DHAARN COc1cccc2c(OCc3cccnc3Cl)ccnc12 ZINC000170603541 563907441 /nfs/dbraw/zinc/90/74/41/563907441.db2.gz IGORTLQTLLIXNW-UHFFFAOYSA-N 0 0 300.745 3.871 50 0 DHAARN CC(C)c1ccc([C@H](C)N2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000170607204 563907711 /nfs/dbraw/zinc/90/77/11/563907711.db2.gz QFTINGOVVRYVEE-KSSFIOAISA-N 0 0 301.430 3.551 50 0 DHAARN C[C@@H](c1ccccc1)[C@@](C)(O)c1nc(COc2ccccc2)no1 ZINC000170606713 563907742 /nfs/dbraw/zinc/90/77/42/563907742.db2.gz LFYXLYHMWDYQNY-IFXJQAMLSA-N 0 0 324.380 3.660 50 0 DHAARN CC[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C2CCC2)C[C@@H](C)O1 ZINC000170625084 563908877 /nfs/dbraw/zinc/90/88/77/563908877.db2.gz LICGSFDNPHPSNU-OLMNPRSZSA-N 0 0 316.445 3.737 50 0 DHAARN Cc1cccc2c1cnn2CCCNC(=O)Nc1ccccc1 ZINC000071196054 563909028 /nfs/dbraw/zinc/90/90/28/563909028.db2.gz AAXKMTOQLCNSMP-UHFFFAOYSA-N 0 0 308.385 3.557 50 0 DHAARN Cc1cc(C[S@@](=O)Cc2csc(-c3cccs3)n2)no1 ZINC000071859142 563909493 /nfs/dbraw/zinc/90/94/93/563909493.db2.gz DOWLXNSUHNQCSD-FQEVSTJZSA-N 0 0 324.452 3.617 50 0 DHAARN Cc1ccccc1C(=O)NCCc1ccc(Br)s1 ZINC000010499802 563909512 /nfs/dbraw/zinc/90/95/12/563909512.db2.gz UATSVCAVMJVCQV-UHFFFAOYSA-N 0 0 324.243 3.792 50 0 DHAARN COCCN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000071854042 563909522 /nfs/dbraw/zinc/90/95/22/563909522.db2.gz GHRNRUDRRRXISC-UHFFFAOYSA-N 0 0 310.463 3.996 50 0 DHAARN COC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000013329162 563909623 /nfs/dbraw/zinc/90/96/23/563909623.db2.gz NDMWTSCQLDISKZ-UHFFFAOYSA-N 0 0 316.382 3.667 50 0 DHAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3F)o2)cs1 ZINC000014159310 563910212 /nfs/dbraw/zinc/91/02/12/563910212.db2.gz ZFNGNIMDCWLUTG-UHFFFAOYSA-N 0 0 316.357 3.781 50 0 DHAARN Cc1ccc(C2=N/C(=C\C3=Cc4ccccc4OC3)C(=O)O2)cc1 ZINC000014185089 563910476 /nfs/dbraw/zinc/91/04/76/563910476.db2.gz GHCHVTDLMOTUQO-BOPFTXTBSA-N 0 0 317.344 3.658 50 0 DHAARN Cc1cccc(OCCC(=O)Nc2cccc3cccnc32)c1 ZINC000014517841 563910550 /nfs/dbraw/zinc/91/05/50/563910550.db2.gz XZGHRRZVACQYKL-UHFFFAOYSA-N 0 0 306.365 3.951 50 0 DHAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(C)c3)C2)cc1 ZINC000089669320 563910842 /nfs/dbraw/zinc/91/08/42/563910842.db2.gz WFMFNNUHRCCBQI-LJQANCHMSA-N 0 0 308.381 3.701 50 0 DHAARN O=C(CCc1ccc(OC(F)F)cc1)N1CCc2ccccc21 ZINC000122120626 563910870 /nfs/dbraw/zinc/91/08/70/563910870.db2.gz RMCKHALPVITZKN-UHFFFAOYSA-N 0 0 317.335 3.810 50 0 DHAARN COc1ccc([C@H]2CCC(=O)N2Cc2ccccc2OC)cc1 ZINC000075876649 563910949 /nfs/dbraw/zinc/91/09/49/563910949.db2.gz LITSTIIRBIFTIW-QGZVFWFLSA-N 0 0 311.381 3.568 50 0 DHAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(C)c3)C2)cc1 ZINC000089669318 563910966 /nfs/dbraw/zinc/91/09/66/563910966.db2.gz WFMFNNUHRCCBQI-IBGZPJMESA-N 0 0 308.381 3.701 50 0 DHAARN Cn1cc(CNc2cccc(COCCc3ccccc3)c2)cn1 ZINC000089755796 563911003 /nfs/dbraw/zinc/91/10/03/563911003.db2.gz SCSHJCFSDYCKLV-UHFFFAOYSA-N 0 0 321.424 3.792 50 0 DHAARN Cc1nccn1-c1ccc([C@@H](C)Nc2nc(C3CC3)no2)cc1 ZINC000089735856 563911105 /nfs/dbraw/zinc/91/11/05/563911105.db2.gz GOIHQCKSGKAITE-LLVKDONJSA-N 0 0 309.373 3.614 50 0 DHAARN Cc1noc([C@@H](C)N2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089718523 563911170 /nfs/dbraw/zinc/91/11/70/563911170.db2.gz DDARGRTXHGLUDN-GFCCVEGCSA-N 0 0 308.385 3.710 50 0 DHAARN O=C(c1ncoc1-c1cccs1)N(C1CC1)C1CCCC1 ZINC000089800044 563911291 /nfs/dbraw/zinc/91/12/91/563911291.db2.gz PUZDRGPREBLAPH-UHFFFAOYSA-N 0 0 302.399 3.950 50 0 DHAARN CC(C)COc1ccc(CC(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000089840309 563911492 /nfs/dbraw/zinc/91/14/92/563911492.db2.gz CDUBVNYEQKKJDC-HNNXBMFYSA-N 0 0 312.413 3.536 50 0 DHAARN c1csc(-c2nnc(Cn3ccc(-c4ccsc4)n3)o2)c1 ZINC000089800103 563911513 /nfs/dbraw/zinc/91/15/13/563911513.db2.gz PIMVLMDQEHCGGU-UHFFFAOYSA-N 0 0 314.395 3.771 50 0 DHAARN COc1ccccc1[C@@H](NC(=O)c1ccoc1C)c1ccccn1 ZINC000089848731 563911535 /nfs/dbraw/zinc/91/15/35/563911535.db2.gz IGUBOAOJNTUGMO-GOSISDBHSA-N 0 0 322.364 3.511 50 0 DHAARN CC(C)c1csc(NC(=O)c2ccnc(OC3CCC3)c2)n1 ZINC000089893535 563911953 /nfs/dbraw/zinc/91/19/53/563911953.db2.gz NQIRLAFDSQSQLE-UHFFFAOYSA-N 0 0 317.414 3.845 50 0 DHAARN Fc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccn3)no2)cc1 ZINC000089884661 563911972 /nfs/dbraw/zinc/91/19/72/563911972.db2.gz OQDNUAFHHHXOCE-INIZCTEOSA-N 0 0 324.359 3.608 50 0 DHAARN CC(C)n1ccc(C(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 ZINC000089894086 563911980 /nfs/dbraw/zinc/91/19/80/563911980.db2.gz BCMXVWUCXFGYQT-KRWDZBQOSA-N 0 0 311.429 3.908 50 0 DHAARN Cc1ccc([C@H]2CSCCN2C(=O)CCc2ccsc2)o1 ZINC000076067488 563912067 /nfs/dbraw/zinc/91/20/67/563912067.db2.gz OMPLJWUVCKPUPG-CQSZACIVSA-N 0 0 321.467 3.899 50 0 DHAARN COc1ccc(C)cc1CN1CCCN(C(C)=O)c2ccccc21 ZINC000076093247 563912286 /nfs/dbraw/zinc/91/22/86/563912286.db2.gz DYWVJRYGVKNZEV-UHFFFAOYSA-N 0 0 324.424 3.767 50 0 DHAARN C[C@@H]1CCN(C(=O)c2ncncc2Cl)c2ccccc2S1 ZINC000089930054 563912297 /nfs/dbraw/zinc/91/22/97/563912297.db2.gz NSQYHMGCWNUASV-SNVBAGLBSA-N 0 0 319.817 3.661 50 0 DHAARN CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccsc2)C1 ZINC000089919323 563912310 /nfs/dbraw/zinc/91/23/10/563912310.db2.gz QRHSULKBNDXXDQ-INIZCTEOSA-N 0 0 324.446 3.724 50 0 DHAARN O=C(/C=C/C1=CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000076092396 563912311 /nfs/dbraw/zinc/91/23/11/563912311.db2.gz DXSQQJKTJMWLRR-CMDGGOBGSA-N 0 0 316.832 3.655 50 0 DHAARN CC[C@@H](NC(=O)NCc1cccc(Cl)c1)c1ccncc1 ZINC000076083956 563912342 /nfs/dbraw/zinc/91/23/42/563912342.db2.gz CMOREJNBRWKKRY-OAHLLOKOSA-N 0 0 303.793 3.686 50 0 DHAARN COc1cccc2c1CC[C@H]2Nc1nc(-c2ccccc2)no1 ZINC000675295442 563912350 /nfs/dbraw/zinc/91/23/50/563912350.db2.gz NKTPFSLCTUAEOX-OAHLLOKOSA-N 0 0 307.353 3.845 50 0 DHAARN COC(=O)c1ccc(C)c(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000076068748 563912439 /nfs/dbraw/zinc/91/24/39/563912439.db2.gz OUIXQPDGRZXZAA-JSGCOSHPSA-N 0 0 318.417 3.824 50 0 DHAARN Cc1nc(C(C)(C)NC(=O)[C@]2(C)CC2(Cl)Cl)sc1C ZINC000076476383 563912695 /nfs/dbraw/zinc/91/26/95/563912695.db2.gz CYORRXRYBBYJEU-LBPRGKRZSA-N 0 0 321.273 3.695 50 0 DHAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc2ncccc21 ZINC000076384546 563912718 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563913886 /nfs/dbraw/zinc/91/38/86/563913886.db2.gz DZUDSPDQIUMRLT-UHFFFAOYSA-N 0 0 309.369 3.568 50 0 DHAARN CSc1ccc(CN(C)C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000252486235 563915962 /nfs/dbraw/zinc/91/59/62/563915962.db2.gz GZFJKBHSKQISBT-AGGWBTHJSA-N 0 0 307.459 3.571 50 0 DHAARN Cc1nscc1C(=O)N(Cc1ccsc1)c1cccnc1 ZINC000193499972 563916008 /nfs/dbraw/zinc/91/60/08/563916008.db2.gz MQCFTNJFMLJHFC-UHFFFAOYSA-N 0 0 315.423 3.755 50 0 DHAARN C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000054583590 563916180 /nfs/dbraw/zinc/91/61/80/563916180.db2.gz XEXKQQSFZPIIMF-XHDPSFHLSA-N 0 0 322.330 3.583 50 0 DHAARN Cc1cc(F)ccc1NS(=O)(=O)Cc1ccccc1Cl ZINC000252510442 563916443 /nfs/dbraw/zinc/91/64/43/563916443.db2.gz ZKYWTSBCMWPCQJ-UHFFFAOYSA-N 0 0 313.781 3.729 50 0 DHAARN O=C(OCc1cnc(-c2ccco2)o1)c1ccc(F)c(F)c1F ZINC000153601336 563917360 /nfs/dbraw/zinc/91/73/60/563917360.db2.gz FNJVTQBVPSYMLE-UHFFFAOYSA-N 0 0 323.226 3.709 50 0 DHAARN C[C@H](C[C@@H](O)c1ccco1)Nc1ccnc(-c2ccccc2)n1 ZINC000170663205 563917540 /nfs/dbraw/zinc/91/75/40/563917540.db2.gz DJDWUQLTNQPYFC-UKRRQHHQSA-N 0 0 309.369 3.661 50 0 DHAARN O=[S@@](CCCc1cn[nH]c1)Cc1c(Cl)cccc1Cl ZINC000194544662 563917679 /nfs/dbraw/zinc/91/76/79/563917679.db2.gz ZNHNBEOLZAOWJV-IBGZPJMESA-N 0 0 317.241 3.598 50 0 DHAARN Cn1cc(C(=O)OCCOc2ccccc2F)c2ccccc21 ZINC000007702395 563918002 /nfs/dbraw/zinc/91/80/02/563918002.db2.gz FFILIQXSIJGFCB-UHFFFAOYSA-N 0 0 313.328 3.553 50 0 DHAARN CCNC(=O)c1cc2sccc2n1Cc1cccc(OC)c1 ZINC000037541541 563918627 /nfs/dbraw/zinc/91/86/27/563918627.db2.gz PKHRXEUUKPZGME-UHFFFAOYSA-N 0 0 314.410 3.509 50 0 DHAARN COCc1nc(-c2ccc(OCc3cccc(C)c3)cc2)no1 ZINC000037553602 563918770 /nfs/dbraw/zinc/91/87/70/563918770.db2.gz ZVUKGZOBRGUWHU-UHFFFAOYSA-N 0 0 310.353 3.770 50 0 DHAARN C[C@H](Nc1ccc(NC(=O)C2=COCCO2)cc1)c1ccccc1 ZINC000195098364 563918911 /nfs/dbraw/zinc/91/89/11/563918911.db2.gz XCLANAKUUUUMRM-AWEZNQCLSA-N 0 0 324.380 3.686 50 0 DHAARN Cc1ccc(-c2csc(=S)n2CC(=O)NC(C)C)cc1 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3.801 50 0 DHAARN CO[C@H](CNC(=O)c1cc(C)cs1)c1ccc(Cl)s1 ZINC000225700308 563938415 /nfs/dbraw/zinc/93/84/15/563938415.db2.gz WTOTXOILXVSIKR-SECBINFHSA-N 0 0 315.847 3.889 50 0 DHAARN Cc1ccccc1C1(CNC(=O)C[C@@H]2C=CCC2)CCOCC1 ZINC000055760814 563939004 /nfs/dbraw/zinc/93/90/04/563939004.db2.gz LFGCFXBLFXCGFF-QGZVFWFLSA-N 0 0 313.441 3.516 50 0 DHAARN COc1ccc(-c2nnc(NCc3cc(F)ccc3C)o2)cc1 ZINC000161922450 563939048 /nfs/dbraw/zinc/93/90/48/563939048.db2.gz CFQQCAFPNPKBEQ-UHFFFAOYSA-N 0 0 313.332 3.805 50 0 DHAARN Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000055778689 563939139 /nfs/dbraw/zinc/93/91/39/563939139.db2.gz NTUACRUKZQDMQO-INIZCTEOSA-N 0 0 318.804 3.851 50 0 DHAARN CCCn1nc(C)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000028306163 563939186 /nfs/dbraw/zinc/93/91/86/563939186.db2.gz PIDYAXLTPMESAQ-UHFFFAOYSA-N 0 0 301.390 3.641 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000002616507 563939578 /nfs/dbraw/zinc/93/95/78/563939578.db2.gz CDOAPQNDBSDVOS-UHFFFAOYSA-N 0 0 323.751 3.678 50 0 DHAARN COc1ccc(CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000002623056 563939621 /nfs/dbraw/zinc/93/96/21/563939621.db2.gz LGNXLIGKHFUQRL-UHFFFAOYSA-N 0 0 319.788 3.847 50 0 DHAARN O=C(COc1ccc(Cl)cc1Cl)NCc1cccs1 ZINC000002630134 563939743 /nfs/dbraw/zinc/93/97/43/563939743.db2.gz NAEGEMPQIUODFU-UHFFFAOYSA-N 0 0 316.209 3.750 50 0 DHAARN CCOc1ccccc1OCCCC(=O)Nc1ncc(C)s1 ZINC000002661312 563940231 /nfs/dbraw/zinc/94/02/31/563940231.db2.gz MAFXGADKTCLACK-UHFFFAOYSA-N 0 0 320.414 3.648 50 0 DHAARN Cc1noc(C)c1CSCC(=O)Nc1cccc(C)c1C ZINC000002656143 563940257 /nfs/dbraw/zinc/94/02/57/563940257.db2.gz PKULWLFWWCBXBH-UHFFFAOYSA-N 0 0 304.415 3.780 50 0 DHAARN CCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000002721494 563940367 /nfs/dbraw/zinc/94/03/67/563940367.db2.gz DPDUZJHNKHAGIY-UHFFFAOYSA-N 0 0 315.461 3.931 50 0 DHAARN CCn1cc(-c2nnc(Cc3ccc(Cl)cc3)o2)c(C)n1 ZINC000002803048 563940854 /nfs/dbraw/zinc/94/08/54/563940854.db2.gz VSTZPMMDTDLDTJ-UHFFFAOYSA-N 0 0 302.765 3.506 50 0 DHAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)cnn1-c1cccc(C)c1 ZINC000029462752 563941339 /nfs/dbraw/zinc/94/13/39/563941339.db2.gz CDWXKHYQVOSJFO-HNNXBMFYSA-N 0 0 319.408 3.980 50 0 DHAARN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCc2ccccc21 ZINC000057413154 563941627 /nfs/dbraw/zinc/94/16/27/563941627.db2.gz NSQIZEFRVZFNDL-UHFFFAOYSA-N 0 0 309.394 3.731 50 0 DHAARN CCCN(C)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000057610271 563942096 /nfs/dbraw/zinc/94/20/96/563942096.db2.gz ONXQPESHGOQOPV-UHFFFAOYSA-N 0 0 323.487 3.774 50 0 DHAARN C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@]3(CC=CCC3)C2)C1 ZINC000230212366 563942139 /nfs/dbraw/zinc/94/21/39/563942139.db2.gz FGGWDXDFCWMCID-ZHALLVOQSA-N 0 0 305.462 3.931 50 0 DHAARN O=C(CN1CCc2sccc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000057830312 563942767 /nfs/dbraw/zinc/94/27/67/563942767.db2.gz UGILNLKBGPOZOC-UHFFFAOYSA-N 0 0 315.482 3.892 50 0 DHAARN CCCCNC(=S)Nc1ccc(Br)c(C)c1 ZINC000003231628 563942979 /nfs/dbraw/zinc/94/29/79/563942979.db2.gz IIIYJKDWDJYVFD-UHFFFAOYSA-N 0 0 301.253 3.844 50 0 DHAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1ccccc1F ZINC000003238169 563943079 /nfs/dbraw/zinc/94/30/79/563943079.db2.gz FFLHCVBDXUAQFX-UHFFFAOYSA-N 0 0 313.357 3.520 50 0 DHAARN CCCCn1nc(-c2ccco2)nc1[C@H]1CCCCCN1C ZINC000670438672 563943740 /nfs/dbraw/zinc/94/37/40/563943740.db2.gz BBPQYYTYMLQOGT-CQSZACIVSA-N 0 0 302.422 3.885 50 0 DHAARN COc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)coc2c1 ZINC000003524895 563944123 /nfs/dbraw/zinc/94/41/23/563944123.db2.gz ZREIRMCPBFQWHQ-ZDUSSCGKSA-N 0 0 309.365 3.861 50 0 DHAARN CC(C)(O)Cn1nc(C2CC2)nc1-c1ccc2ccccc2c1 ZINC000670445426 563944127 /nfs/dbraw/zinc/94/41/27/563944127.db2.gz QVFMXERIZBUIAD-UHFFFAOYSA-N 0 0 307.397 3.747 50 0 DHAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Cl)c1 ZINC000031255544 563944302 /nfs/dbraw/zinc/94/43/02/563944302.db2.gz DJAZPEXPCCPPNS-UHFFFAOYSA-N 0 0 323.135 3.680 50 0 DHAARN O=C(Nc1cccc(Cl)c1)c1ccn(-c2ccc(F)cc2)n1 ZINC000031546878 563944557 /nfs/dbraw/zinc/94/45/57/563944557.db2.gz CNBYHKVSEAKJJK-UHFFFAOYSA-N 0 0 315.735 3.917 50 0 DHAARN CO[C@@H](C)CCNC(=O)N(Cc1ccc(SC)cc1)C1CC1 ZINC000670453097 563944647 /nfs/dbraw/zinc/94/46/47/563944647.db2.gz DYVRLSHGHHBTDD-ZDUSSCGKSA-N 0 0 322.474 3.508 50 0 DHAARN Cc1cc2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc2[nH]1 ZINC000031721952 563944763 /nfs/dbraw/zinc/94/47/63/563944763.db2.gz KCOPPLSALMATMC-UHFFFAOYSA-N 0 0 322.336 3.555 50 0 DHAARN Cc1ocnc1C(=O)NCC[C@H](c1ccco1)c1ccccc1 ZINC000670454896 563944809 /nfs/dbraw/zinc/94/48/09/563944809.db2.gz NXWZHGHDBXFDRQ-HNNXBMFYSA-N 0 0 310.353 3.528 50 0 DHAARN C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N\N)CC[C@@]43C)[C@H]1CC/C2=N/N ZINC000004029082 563944917 /nfs/dbraw/zinc/94/49/17/563944917.db2.gz PINUESXRWZTPOZ-FNFOQWDRSA-N 0 0 314.477 3.579 50 0 biogenic DHAARN c1ccc([C@@H](NCc2cccnc2)c2ccc3c(c2)OCO3)cc1 ZINC000031815615 563944957 /nfs/dbraw/zinc/94/49/57/563944957.db2.gz XXCJLFIXRLSAFZ-HXUWFJFHSA-N 0 0 318.376 3.690 50 0 DHAARN CCCC[C@H](NS(=O)(=O)c1cc(C)cs1)c1cccnc1 ZINC000670457163 563945086 /nfs/dbraw/zinc/94/50/86/563945086.db2.gz 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/nfs/dbraw/zinc/94/73/70/563947370.db2.gz HKGKYYAZRFJUDH-UHFFFAOYSA-N 0 0 311.381 3.919 50 0 DHAARN COc1cccc(CCC(=O)Nc2ccc(C)cc2C)c1OC ZINC000008272456 563947473 /nfs/dbraw/zinc/94/74/73/563947473.db2.gz UKFVNGOJZDCONR-UHFFFAOYSA-N 0 0 313.397 3.892 50 0 DHAARN CCc1nnsc1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000066764939 563947516 /nfs/dbraw/zinc/94/75/16/563947516.db2.gz WWIHYHHZUSEGRZ-AWEZNQCLSA-N 0 0 315.442 3.510 50 0 DHAARN O=C(NC1CC1)[C@H](Oc1ccccc1Cl)c1ccccc1 ZINC000008291107 563947567 /nfs/dbraw/zinc/94/75/67/563947567.db2.gz DDKTVRQBUPJUKQ-MRXNPFEDSA-N 0 0 301.773 3.739 50 0 DHAARN Cc1noc(C)c1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000008313588 563947686 /nfs/dbraw/zinc/94/76/86/563947686.db2.gz JGJDYAZMZGGJME-KRWDZBQOSA-N 0 0 318.804 3.755 50 0 DHAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(F)c(F)c1 ZINC000008320407 563947779 /nfs/dbraw/zinc/94/77/79/563947779.db2.gz BSSBUHJJZHHELY-AWEZNQCLSA-N 0 0 322.380 3.802 50 0 DHAARN CCOc1cc(C(=O)NCc2ccco2)ccc1OCC(C)C ZINC000008325224 563947822 /nfs/dbraw/zinc/94/78/22/563947822.db2.gz LRTYEOQUUHCFCR-UHFFFAOYSA-N 0 0 317.385 3.643 50 0 DHAARN O=C(NCc1ccccn1)Nc1cccc(SC(F)F)c1 ZINC000066964771 563948265 /nfs/dbraw/zinc/94/82/65/563948265.db2.gz RCBFXUYHARGSII-UHFFFAOYSA-N 0 0 309.341 3.718 50 0 DHAARN CSc1nccn2nc(-c3ccc(Br)cc3)cc12 ZINC000038486444 563948311 /nfs/dbraw/zinc/94/83/11/563948311.db2.gz ZFKOOZHAYAPYLU-UHFFFAOYSA-N 0 0 320.215 3.881 50 0 DHAARN O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@H]1c1ccco1 ZINC000067022690 563948371 /nfs/dbraw/zinc/94/83/71/563948371.db2.gz ZAGYOMZDWBISDL-GHMZBOCLSA-N 0 0 311.366 3.540 50 0 DHAARN CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000067056807 563948499 /nfs/dbraw/zinc/94/84/99/563948499.db2.gz IOXJOAVHNSSCJK-MSOLQXFVSA-N 0 0 319.420 3.593 50 0 DHAARN O=C(OCc1nc2ccccc2o1)c1ccc2ccccc2n1 ZINC000008447758 563948563 /nfs/dbraw/zinc/94/85/63/563948563.db2.gz QOOIHPOFAAHLPL-UHFFFAOYSA-N 0 0 304.305 3.733 50 0 DHAARN O=C(OCc1cc2ccccc2nc1Cl)c1cccc(O)c1 ZINC000008447536 563948566 /nfs/dbraw/zinc/94/85/66/563948566.db2.gz BDNSVUBLVBEODL-UHFFFAOYSA-N 0 0 313.740 3.951 50 0 DHAARN Cc1cccc(N2CCN(CC(=O)c3cc(C)ccc3C)CC2)c1 ZINC000067206400 563948570 /nfs/dbraw/zinc/94/85/70/563948570.db2.gz UIHBYTQVDQWZDQ-UHFFFAOYSA-N 0 0 322.452 3.617 50 0 DHAARN CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccn1 ZINC000067297996 563948778 /nfs/dbraw/zinc/94/87/78/563948778.db2.gz MOTNEJUJSOEDMS-UHFFFAOYSA-N 0 0 309.291 3.764 50 0 DHAARN O=c1c(Br)c(-c2ccccc2)[nH]c2ccccc21 ZINC000008581038 563949260 /nfs/dbraw/zinc/94/92/60/563949260.db2.gz XTXHUFVPTJDODX-UHFFFAOYSA-N 0 0 300.155 3.958 50 0 DHAARN CCNc1nnc(S[C@@H]2CCCc3ccccc3C2=O)s1 ZINC000067428882 563949355 /nfs/dbraw/zinc/94/93/55/563949355.db2.gz KCEKXTPGRZTUBQ-GFCCVEGCSA-N 0 0 319.455 3.650 50 0 DHAARN Cc1cc(-c2nnco2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000067724327 563949733 /nfs/dbraw/zinc/94/97/33/563949733.db2.gz NGYVSCABNMSYGR-CVEARBPZSA-N 0 0 319.364 3.787 50 0 DHAARN CCOc1ccc(NC(=S)NN2[C@H](C)CCC[C@H]2C)cc1 ZINC000008685403 563949848 /nfs/dbraw/zinc/94/98/48/563949848.db2.gz BXOYUJZJTADECV-CHWSQXEVSA-N 0 0 307.463 3.550 50 0 DHAARN c1csc(-c2nc(SCc3ccc4c(c3)OCO4)n[nH]2)c1 ZINC000008705634 563950009 /nfs/dbraw/zinc/95/00/09/563950009.db2.gz IKOAKTHWCGBKEM-UHFFFAOYSA-N 0 0 317.395 3.554 50 0 DHAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccccn1 ZINC000008725149 563950203 /nfs/dbraw/zinc/95/02/03/563950203.db2.gz DJRPGOHIHVMBCB-UHFFFAOYSA-N 0 0 314.348 3.649 50 0 DHAARN C[C@@H](Sc1ncccc1Cl)C(=O)NCc1cccs1 ZINC000008726505 563950228 /nfs/dbraw/zinc/95/02/28/563950228.db2.gz PONFYPYRJBQOCL-SECBINFHSA-N 0 0 312.847 3.594 50 0 DHAARN O=C(c1ccco1)N1N=C(c2cccc(O)c2)C[C@H]1c1ccco1 ZINC000008734919 563950393 /nfs/dbraw/zinc/95/03/93/563950393.db2.gz AQPYSBWEJULLNJ-HNNXBMFYSA-N 0 0 322.320 3.570 50 0 DHAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000008728725 563950481 /nfs/dbraw/zinc/95/04/81/563950481.db2.gz NPILPYZRQSFIKI-JTQLQIEISA-N 0 0 324.352 3.802 50 0 DHAARN CC(=O)Nc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1 ZINC000008766984 563950749 /nfs/dbraw/zinc/95/07/49/563950749.db2.gz OIOWAYIVQYKOGF-UHFFFAOYSA-N 0 0 317.414 3.753 50 0 DHAARN Cc1noc(Cl)c1CCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000068237255 563951127 /nfs/dbraw/zinc/95/11/27/563951127.db2.gz MSOCYLCMSPAEGT-WHOFXGATSA-N 0 0 324.852 3.996 50 0 DHAARN CC(C)c1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1 ZINC000068727083 563951130 /nfs/dbraw/zinc/95/11/30/563951130.db2.gz WGWJFPNNGRKCLD-UHFFFAOYSA-N 0 0 320.396 3.858 50 0 DHAARN CSc1nnc(CN2CCC[C@H]2CCc2ccccc2)s1 ZINC000068322600 563951163 /nfs/dbraw/zinc/95/11/63/563951163.db2.gz CCTUSPHDFQGYBF-AWEZNQCLSA-N 0 0 319.499 3.857 50 0 DHAARN Cc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 ZINC000008869615 563951174 /nfs/dbraw/zinc/95/11/74/563951174.db2.gz QVBUQMKOTRLUEE-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN CC(C)(C)c1nc2cc(NC(=O)c3ccncc3F)ccc2[nH]1 ZINC000172824068 563951400 /nfs/dbraw/zinc/95/14/00/563951400.db2.gz DYVQFTNVDLOCAL-UHFFFAOYSA-N 0 0 312.348 3.647 50 0 DHAARN COC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000008935400 563951441 /nfs/dbraw/zinc/95/14/41/563951441.db2.gz VAAMCUWKEXZMOI-UHFFFAOYSA-N 0 0 311.381 3.730 50 0 DHAARN C[C@H]1CCCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000040159014 563951697 /nfs/dbraw/zinc/95/16/97/563951697.db2.gz RKKOKISMOZIXGI-JTQLQIEISA-N 0 0 302.201 3.773 50 0 DHAARN CC(C)Oc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 ZINC000008976610 563951709 /nfs/dbraw/zinc/95/17/09/563951709.db2.gz FHLMWHWAISMYSV-UHFFFAOYSA-N 0 0 300.358 3.593 50 0 DHAARN Clc1cccc(OCCSc2nnc3n2CCCCC3)c1 ZINC000040159042 563951755 /nfs/dbraw/zinc/95/17/55/563951755.db2.gz KLQZUUVWXLLVKT-UHFFFAOYSA-N 0 0 323.849 3.829 50 0 DHAARN C[C@@H](Nc1ccc2ccccc2n1)c1ccc2c(c1)NC(=O)CO2 ZINC000069153684 563951888 /nfs/dbraw/zinc/95/18/88/563951888.db2.gz JEOQLVCQSPRPGB-GFCCVEGCSA-N 0 0 319.364 3.739 50 0 DHAARN C[C@H](c1cccnc1)N(C)C(=O)NCCCc1cccc(F)c1 ZINC000069148006 563951900 /nfs/dbraw/zinc/95/19/00/563951900.db2.gz HVRDLSQRPZNVIK-CQSZACIVSA-N 0 0 315.392 3.556 50 0 DHAARN COc1ccccc1CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000009052739 563952064 /nfs/dbraw/zinc/95/20/64/563952064.db2.gz JKTOCPQJMUSBDT-UHFFFAOYSA-N 0 0 323.314 3.573 50 0 DHAARN CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C)cc1 ZINC000009070877 563952235 /nfs/dbraw/zinc/95/22/35/563952235.db2.gz KTUGIMQJFJFENM-UHFFFAOYSA-N 0 0 301.390 3.643 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)C1CC1 ZINC000009107449 563952421 /nfs/dbraw/zinc/95/24/21/563952421.db2.gz UFBXEHPKFNOITD-UHFFFAOYSA-N 0 0 320.392 3.515 50 0 DHAARN COc1ccc(OC)c(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000009117676 563952678 /nfs/dbraw/zinc/95/26/78/563952678.db2.gz QBHJDJBVXMBHID-UHFFFAOYSA-N 0 0 322.364 3.747 50 0 DHAARN COc1ccc(NC(C)=O)cc1OCc1ccc2ccccc2n1 ZINC000069393032 563952724 /nfs/dbraw/zinc/95/27/24/563952724.db2.gz HXMBEOFDESDNRH-UHFFFAOYSA-N 0 0 322.364 3.781 50 0 DHAARN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccncc1 ZINC000069452536 563953047 /nfs/dbraw/zinc/95/30/47/563953047.db2.gz YQOBTXLNSSUFJZ-UHFFFAOYSA-N 0 0 309.196 3.637 50 0 DHAARN Cc1cnn([C@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)c1 ZINC000069454657 563953071 /nfs/dbraw/zinc/95/30/71/563953071.db2.gz SEBKSEGUWPVJLG-HNNXBMFYSA-N 0 0 323.396 3.723 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2cccc(O)c2)s1 ZINC000069462170 563953075 /nfs/dbraw/zinc/95/30/75/563953075.db2.gz GBZQOENPULBXHF-CABCVRRESA-N 0 0 301.411 3.524 50 0 DHAARN Cc1ccccc1NC1CCN(C(=O)CCc2ccco2)CC1 ZINC000069509241 563953241 /nfs/dbraw/zinc/95/32/41/563953241.db2.gz KKNNEVCUFIFHCO-UHFFFAOYSA-N 0 0 312.413 3.624 50 0 DHAARN CCOC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 ZINC000009135001 563953355 /nfs/dbraw/zinc/95/33/55/563953355.db2.gz GIKYXNRYCZYLPC-UHFFFAOYSA-N 0 0 312.325 3.921 50 0 DHAARN CC(C)N(C(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000069559728 563953426 /nfs/dbraw/zinc/95/34/26/563953426.db2.gz GCWQBOKMADVUNW-CVEARBPZSA-N 0 0 317.820 3.619 50 0 DHAARN CCn1c2cccc(F)c2nc1CN(C)Cc1cnc(C)s1 ZINC000069533141 563953429 /nfs/dbraw/zinc/95/34/29/563953429.db2.gz LJQNQSIVZDDLGW-UHFFFAOYSA-N 0 0 318.421 3.592 50 0 DHAARN COc1c(Cl)cc(NC(=O)c2cc(C)no2)cc1Cl ZINC000069562998 563953521 /nfs/dbraw/zinc/95/35/21/563953521.db2.gz QTDLYTRTHZUGMR-UHFFFAOYSA-N 0 0 301.129 3.551 50 0 DHAARN Cc1nc(-c2ccsc2)ccc1C(=O)N(C)Cc1ccccn1 ZINC000069561581 563953569 /nfs/dbraw/zinc/95/35/69/563953569.db2.gz XWWXYGRWTDOALA-UHFFFAOYSA-N 0 0 323.421 3.786 50 0 DHAARN Cc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)c1ccccn1 ZINC000069582858 563953711 /nfs/dbraw/zinc/95/37/11/563953711.db2.gz NMEHLLXLVIQRKL-OAHLLOKOSA-N 0 0 322.412 3.767 50 0 DHAARN O=C(c1cc(-c2csc(-c3ccoc3)n2)c[nH]1)N1CCCC1 ZINC000069629607 563954003 /nfs/dbraw/zinc/95/40/03/563954003.db2.gz AXPYLJVFTBLVSV-UHFFFAOYSA-N 0 0 313.382 3.634 50 0 DHAARN CCOC1CCN(C(=O)Nc2ccc(CCSC)cc2)CC1 ZINC000069683494 563954103 /nfs/dbraw/zinc/95/41/03/563954103.db2.gz XSVJDXNZFRONNT-UHFFFAOYSA-N 0 0 322.474 3.625 50 0 DHAARN Cc1oc(-c2ccsc2)nc1CC(=O)NC[C@@H]1CC=CCC1 ZINC000069702392 563954288 /nfs/dbraw/zinc/95/42/88/563954288.db2.gz DPOIHGYXMRGENV-CYBMUJFWSA-N 0 0 316.426 3.727 50 0 DHAARN CCCc1cc(=O)oc2cc(O[C@H](C)c3nc(C)no3)ccc12 ZINC000069708716 563954358 /nfs/dbraw/zinc/95/43/58/563954358.db2.gz ZYGMHPQHFYRANO-SNVBAGLBSA-N 0 0 314.341 3.577 50 0 DHAARN C[C@@H]1CCc2sc3ncn4c(nnc4-c4ccncc4)c3c2C1 ZINC000009303366 563954706 /nfs/dbraw/zinc/95/47/06/563954706.db2.gz AKBDDSSTNOSTJR-SNVBAGLBSA-N 0 0 321.409 3.526 50 0 DHAARN Cc1ccc2c(c1)CCCN2Cc1nnc(-c2ccccc2)o1 ZINC000009322043 563955209 /nfs/dbraw/zinc/95/52/09/563955209.db2.gz RZMRUHNNCQNAIP-UHFFFAOYSA-N 0 0 305.381 3.998 50 0 DHAARN Cc1ncc(CNCc2cc(Cl)ccc2OC(F)F)s1 ZINC000040997698 563955244 /nfs/dbraw/zinc/95/52/44/563955244.db2.gz ZZNFDMFBRDOKBM-UHFFFAOYSA-N 0 0 318.776 3.996 50 0 DHAARN CCCCn1cnc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000009356220 563955411 /nfs/dbraw/zinc/95/54/11/563955411.db2.gz JOMSQAINDMSZRS-UHFFFAOYSA-N 0 0 323.396 3.854 50 0 DHAARN O=C(CC1CCCC1)NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000069951803 563955433 /nfs/dbraw/zinc/95/54/33/563955433.db2.gz UNIGSWCBDPPENP-UHFFFAOYSA-N 0 0 319.792 3.587 50 0 DHAARN CCc1nnc([C@@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000070011858 563955592 /nfs/dbraw/zinc/95/55/92/563955592.db2.gz ROBSJNXUXCFUJH-SNVBAGLBSA-N 0 0 313.323 3.844 50 0 DHAARN CCCc1nnc(NC(=O)c2oc3c(cccc3F)c2C)s1 ZINC000009376389 563955667 /nfs/dbraw/zinc/95/56/67/563955667.db2.gz IIBMAEZKDSVMQX-UHFFFAOYSA-N 0 0 319.361 3.937 50 0 DHAARN Cc1cc(C2=NNC(=NC(C)(C)C)SC2)c(C)n1C1CC1 ZINC000009417742 563955887 /nfs/dbraw/zinc/95/58/87/563955887.db2.gz NAMCMNDGBBXYKQ-UHFFFAOYSA-N 0 0 304.463 3.635 50 0 DHAARN CC(=O)Nc1ccc(OCc2coc(-c3ccccc3)n2)cc1 ZINC000009447734 563955977 /nfs/dbraw/zinc/95/59/77/563955977.db2.gz XEJPIKJZDLTZGF-UHFFFAOYSA-N 0 0 308.337 3.879 50 0 DHAARN Cc1cccc(CS[C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000009449911 563956003 /nfs/dbraw/zinc/95/60/03/563956003.db2.gz JQICAQGAGXAFFE-MRXNPFEDSA-N 0 0 313.466 3.976 50 0 DHAARN COc1ccc(C(=O)c2oc3ccc(NC(C)=O)cc3c2C)cc1 ZINC000009420122 563956013 /nfs/dbraw/zinc/95/60/13/563956013.db2.gz NALLTXPIYMWPSW-UHFFFAOYSA-N 0 0 323.348 3.939 50 0 DHAARN C[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000009528092 563956666 /nfs/dbraw/zinc/95/66/66/563956666.db2.gz MNLOLXYZXTVZQR-SNVBAGLBSA-N 0 0 307.756 3.889 50 0 DHAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](O)C2CCCCC2)cc1 ZINC000070636643 563956878 /nfs/dbraw/zinc/95/68/78/563956878.db2.gz LXUHOSBHVZQHIT-QGZVFWFLSA-N 0 0 303.446 3.655 50 0 DHAARN Fc1cccc(Cl)c1CSc1ccc(-n2cccn2)nn1 ZINC000070635214 563956910 /nfs/dbraw/zinc/95/69/10/563956910.db2.gz JQBAIJCZTKGLLA-UHFFFAOYSA-N 0 0 320.780 3.747 50 0 DHAARN CO[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000009553809 563956961 /nfs/dbraw/zinc/95/69/61/563956961.db2.gz JAWBIEMUJUUWJK-QGZVFWFLSA-N 0 0 301.773 3.684 50 0 DHAARN CCOC(=O)c1oc2ccc(NC(=O)c3ccco3)cc2c1C ZINC000009659845 563957319 /nfs/dbraw/zinc/95/73/19/563957319.db2.gz MJWUSNAJCFVKIN-UHFFFAOYSA-N 0 0 313.309 3.763 50 0 DHAARN Cc1cccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)c1 ZINC000009687691 563957325 /nfs/dbraw/zinc/95/73/25/563957325.db2.gz RFEKUZBBEKJBRQ-UHFFFAOYSA-N 0 0 323.421 3.808 50 0 DHAARN Cc1ccc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)c(C)c1 ZINC000009728664 563957570 /nfs/dbraw/zinc/95/75/70/563957570.db2.gz WMAKNUYMDACFJB-UHFFFAOYSA-N 0 0 319.364 3.838 50 0 DHAARN O=C(NCCc1cccc(Cl)c1)N1CCc2ccccc2C1 ZINC000009868258 563957752 /nfs/dbraw/zinc/95/77/52/563957752.db2.gz UGHNIMACWWXMSH-UHFFFAOYSA-N 0 0 314.816 3.650 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)C12CC3CC(CC(C3)C1)C2 ZINC000009827754 563957815 /nfs/dbraw/zinc/95/78/15/563957815.db2.gz YPZFMBZRWUFHPZ-UHFFFAOYSA-N 0 0 324.424 3.726 50 0 DHAARN Cc1ccc(CCCNC(=O)c2ccc(N(C)C)cc2)c(C)c1 ZINC000009891666 563957820 /nfs/dbraw/zinc/95/78/20/563957820.db2.gz GCFNPIARTHRRGA-UHFFFAOYSA-N 0 0 310.441 3.732 50 0 DHAARN CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000009957380 563958092 /nfs/dbraw/zinc/95/80/92/563958092.db2.gz KOPSOOHFMPKVBQ-LJQANCHMSA-N 0 0 322.408 3.551 50 0 DHAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2[nH]1 ZINC000010129140 563958195 /nfs/dbraw/zinc/95/81/95/563958195.db2.gz NGDRNYOVDLWVSF-UHFFFAOYSA-N 0 0 303.365 3.622 50 0 DHAARN Cc1ccc2c(COc3cccc4c3CCC4=O)cc(=O)oc2c1 ZINC000010198036 563958430 /nfs/dbraw/zinc/95/84/30/563958430.db2.gz GQKFTFGDGCFCCH-UHFFFAOYSA-N 0 0 320.344 3.809 50 0 DHAARN C[C@H](Sc1n[nH]c(-c2cccnc2)n1)c1ccccc1F ZINC000071795741 563958581 /nfs/dbraw/zinc/95/85/81/563958581.db2.gz DCFUPMCDDXRLEB-JTQLQIEISA-N 0 0 300.362 3.859 50 0 DHAARN Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1 ZINC000010319510 563958680 /nfs/dbraw/zinc/95/86/80/563958680.db2.gz MPCWLFNDJLBBDU-UHFFFAOYSA-N 0 0 306.365 3.713 50 0 DHAARN COCCn1ccc2cc(NC(=O)N3CCC[C@@H](C)C3)ccc21 ZINC000071803407 563958809 /nfs/dbraw/zinc/95/88/09/563958809.db2.gz BGTIGWZQZAPJRK-CQSZACIVSA-N 0 0 315.417 3.552 50 0 DHAARN CC[C@@H](c1ccccc1)N(CC)C(=O)Cc1c(C)nn(C)c1C ZINC000071800853 563958817 /nfs/dbraw/zinc/95/88/17/563958817.db2.gz BOACVZZTEQLWKI-SFHVURJKSA-N 0 0 313.445 3.579 50 0 DHAARN Cc1ccc(-c2nc(CN3CCC[C@H]3c3cnn(C)c3)co2)cc1 ZINC000071799296 563958868 /nfs/dbraw/zinc/95/88/68/563958868.db2.gz CTTKIBUPRMRZRI-SFHVURJKSA-N 0 0 322.412 3.721 50 0 DHAARN Cc1cccnc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000010430789 563959070 /nfs/dbraw/zinc/95/90/70/563959070.db2.gz UXDLGDRWBIHELP-UHFFFAOYSA-N 0 0 307.353 3.616 50 0 DHAARN c1c2ccccc2[nH]c1C1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000071841185 563959140 /nfs/dbraw/zinc/95/91/40/563959140.db2.gz VHRWJSZTRATMES-UHFFFAOYSA-N 0 0 322.412 3.808 50 0 DHAARN CCOc1cc2c(cc1NCc1c(C)noc1C)O[C@@H](C)C2 ZINC000071857522 563959362 /nfs/dbraw/zinc/95/93/62/563959362.db2.gz HSQFTOOFRZXYNZ-JTQLQIEISA-N 0 0 302.374 3.626 50 0 DHAARN COc1cc(Cl)c(C)cc1NC(=O)N(C)[C@@H](C)CSC ZINC000077182100 563960622 /nfs/dbraw/zinc/96/06/22/563960622.db2.gz UJZZDPIHJPSFCW-JTQLQIEISA-N 0 0 316.854 3.872 50 0 DHAARN Cc1nc(CN2CCC(Nc3ccc(C)cc3)CC2)cs1 ZINC000076725836 563960709 /nfs/dbraw/zinc/96/07/09/563960709.db2.gz KBWTXOASFOHCEA-UHFFFAOYSA-N 0 0 301.459 3.836 50 0 DHAARN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000078512014 563960960 /nfs/dbraw/zinc/96/09/60/563960960.db2.gz YCFOIZDDVLVATB-ZDUSSCGKSA-N 0 0 317.307 3.610 50 0 DHAARN Cc1nn(C)c(C)c1[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000078553094 563961193 /nfs/dbraw/zinc/96/11/93/563961193.db2.gz BBCDLWFIFMYSLP-SNVBAGLBSA-N 0 0 306.479 3.642 50 0 DHAARN CC(C)(C)OC(=O)NCCc1cccc(Br)c1 ZINC000066309140 568413378 /nfs/dbraw/zinc/41/33/78/568413378.db2.gz TVNPKEKBYKTLNN-UHFFFAOYSA-N 0 0 300.196 3.516 50 0 DHAARN CC[C@@H](C)N(C(=O)c1cc2ccccc2c(=O)o1)[C@H](C)CC ZINC000283440934 568413382 /nfs/dbraw/zinc/41/33/82/568413382.db2.gz HXWYULXMJZIVCS-CHWSQXEVSA-N 0 0 301.386 3.832 50 0 DHAARN C[C@@H]1CC[C@H](C)N(C(=O)c2ccnc(N3CCCC[C@H]3C)c2)C1 ZINC000252477635 568413723 /nfs/dbraw/zinc/41/37/23/568413723.db2.gz RUDHCSFADAIWGF-OAGGEKHMSA-N 0 0 315.461 3.721 50 0 DHAARN O=C(NC[C@@H]1CCCN1c1ccccc1)Nc1ccc(F)cc1 ZINC000211119684 568415259 /nfs/dbraw/zinc/41/52/59/568415259.db2.gz YCXKHDNQKFRYCB-KRWDZBQOSA-N 0 0 313.376 3.616 50 0 DHAARN O=C(CCCn1cccc1)Nc1nc(-c2ccco2)cs1 ZINC000049030950 568415664 /nfs/dbraw/zinc/41/56/64/568415664.db2.gz BYQCBXXSWGBHKN-UHFFFAOYSA-N 0 0 301.371 3.624 50 0 DHAARN O=C(CCOc1ccccc1F)Nc1cccc2cnccc21 ZINC000032980054 568416484 /nfs/dbraw/zinc/41/64/84/568416484.db2.gz WWJBTHQQUISPCA-UHFFFAOYSA-N 0 0 310.328 3.782 50 0 DHAARN Cn1nc2c(c1NC(=O)Nc1cccc3ccccc31)CSC2 ZINC000263587088 568417484 /nfs/dbraw/zinc/41/74/84/568417484.db2.gz BYYDPDKSJLHAQG-UHFFFAOYSA-N 0 0 324.409 3.964 50 0 DHAARN CC(C)C[C@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1cccc1 ZINC000575443330 568418108 /nfs/dbraw/zinc/41/81/08/568418108.db2.gz LOPUMQCIXSEORH-RHSMWYFYSA-N 0 0 324.428 3.829 50 0 DHAARN COC(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575443221 568418120 /nfs/dbraw/zinc/41/81/20/568418120.db2.gz QVPZOVHDZBPVES-UHFFFAOYSA-N 0 0 308.341 3.985 50 0 DHAARN CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccncc2)C1 ZINC000075567513 568418781 /nfs/dbraw/zinc/41/87/81/568418781.db2.gz RZNJWVKDPLJHOA-IZZDOVSWSA-N 0 0 307.372 3.791 50 0 DHAARN CN1CCc2c(c3cc(F)ccc3n2/C=C\c2cccnc2)C1 ZINC000075567514 568418786 /nfs/dbraw/zinc/41/87/86/568418786.db2.gz FKWDGWBIKDVBNA-POHAHGRESA-N 0 0 307.372 3.791 50 0 DHAARN O=C(CCc1c(F)cccc1F)N1CCC[C@@H]1c1ccc[nH]1 ZINC000071818777 568419861 /nfs/dbraw/zinc/41/98/61/568419861.db2.gz AHQFNRRUWDIRLH-MRXNPFEDSA-N 0 0 304.340 3.589 50 0 DHAARN Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O ZINC000000365448 568421528 /nfs/dbraw/zinc/42/15/28/568421528.db2.gz OQELNTUKTOTURB-UHFFFAOYSA-N 0 0 319.426 3.799 50 0 DHAARN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CC(=O)[O-] ZINC000262233616 600622444 /nfs/dbraw/zinc/62/24/44/600622444.db2.gz ATDRMOJCXKSEOJ-LBPRGKRZSA-N 0 0 304.415 3.504 50 0 DHAARN Cc1cc(COC(=O)c2csc(-c3ccsc3)n2)no1 ZINC000025188302 1013393017 /nfs/dbraw/zinc/39/30/17/1013393017.db2.gz LMEBIODMIPDLBU-UHFFFAOYSA-N 0 0 306.368 3.525 50 0 DHAARN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067179557 1013466621 /nfs/dbraw/zinc/46/66/21/1013466621.db2.gz UWKBWGMXRFEIBS-INIZCTEOSA-N 0 0 319.408 3.973 50 0 DHAARN Cc1cccc(/C=C\C(=O)NCc2ccc(-n3cccn3)cc2)c1 ZINC000045747177 1013794343 /nfs/dbraw/zinc/79/43/43/1013794343.db2.gz AZKFXNLRVOPVLD-FLIBITNWSA-N 0 0 317.392 3.510 50 0 DHAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccn1 ZINC000022135450 1013843054 /nfs/dbraw/zinc/84/30/54/1013843054.db2.gz OARANTKPVJNISN-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN CN(C)C(=O)c1ccc(CNc2nc3ccccc3s2)cc1 ZINC000012767949 1014583227 /nfs/dbraw/zinc/58/32/27/1014583227.db2.gz PFYMVISXLQKWLA-UHFFFAOYSA-N 0 0 311.410 3.610 50 0 DHAARN Brc1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000067320830 1014667711 /nfs/dbraw/zinc/66/77/11/1014667711.db2.gz ZKNYMTXKIXUILH-UHFFFAOYSA-N 0 0 304.191 3.506 50 0 DHAARN CC(C)(C)c1nc2cc(NC(=O)C=Cc3cccnc3)ccc2[nH]1 ZINC000050955290 1014769290 /nfs/dbraw/zinc/76/92/90/1014769290.db2.gz NGZPHYQUYKMQDT-TWGQIWQCSA-N 0 0 320.396 3.907 50 0 DHAARN CCCSc1nnc2c(n1)O[C@@](C)(CC)Nc1ccccc1-2 ZINC000002500827 1014800344 /nfs/dbraw/zinc/80/03/44/1014800344.db2.gz LRULYHKIYITHMQ-INIZCTEOSA-N 0 0 316.430 3.971 50 0 DHAARN O=C([C@@H]1CCCc2cccnc21)N1CCc2ccc(Cl)cc21 ZINC000194178906 1015848477 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3.794 50 0 DHAARN Cc1csc([C@H](C)CNC(=O)CSc2ccccc2C)n1 ZINC000185999662 186230069 /nfs/dbraw/zinc/23/00/69/186230069.db2.gz MNSHSHODYPHFHX-GFCCVEGCSA-N 0 0 320.483 3.772 50 0 DHAARN CCOc1ccc(-c2nc(C(=O)N(C)C3CCC3)cs2)cc1 ZINC000072296996 191112642 /nfs/dbraw/zinc/11/26/42/191112642.db2.gz WLMFYFHAIIVTLC-UHFFFAOYSA-N 0 0 316.426 3.833 50 0 DHAARN CC(C)c1csc([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)n1 ZINC000072297272 191112851 /nfs/dbraw/zinc/11/28/51/191112851.db2.gz PWSDRRNDCXJIIH-UONOGXRCSA-N 0 0 322.474 3.542 50 0 DHAARN CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n1 ZINC000072297269 191113158 /nfs/dbraw/zinc/11/31/58/191113158.db2.gz PWSDRRNDCXJIIH-KGLIPLIRSA-N 0 0 322.474 3.542 50 0 DHAARN Cc1nc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)sc1C ZINC000072297381 191113392 /nfs/dbraw/zinc/11/33/92/191113392.db2.gz BSRHGATVBCVUNL-AWEZNQCLSA-N 0 0 318.417 3.919 50 0 DHAARN Cc1cccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)n1 ZINC000225585931 186280434 /nfs/dbraw/zinc/28/04/34/186280434.db2.gz 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AJMZEIIWAPCXBJ-UHFFFAOYSA-N 0 0 324.302 3.889 50 0 DHAARN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2cccc(F)c2)C1 ZINC000072305933 191117332 /nfs/dbraw/zinc/11/73/32/191117332.db2.gz DEDGLWDAROWTIX-SJKOYZFVSA-N 0 0 308.397 3.525 50 0 DHAARN Cc1ccc(F)c(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 ZINC000072313538 191119781 /nfs/dbraw/zinc/11/97/81/191119781.db2.gz DFCMBGAUENMKKZ-KRWDZBQOSA-N 0 0 308.397 3.587 50 0 DHAARN c1ccc(CCCOC2CN(c3nc4ccccc4o3)C2)cc1 ZINC000072312275 191119607 /nfs/dbraw/zinc/11/96/07/191119607.db2.gz AEILZORSTIGCOD-UHFFFAOYSA-N 0 0 308.381 3.666 50 0 DHAARN CC(C)n1cc(CCCC(=O)Nc2cnn(C)c2)c2ccccc21 ZINC000072325204 191122871 /nfs/dbraw/zinc/12/28/71/191122871.db2.gz DWABCVJNCYOKDB-UHFFFAOYSA-N 0 0 324.428 3.917 50 0 biogenic DHAARN O=C(NCc1ccccc1Cl)c1c[nH]nc1-c1cccs1 ZINC000072329454 191123962 /nfs/dbraw/zinc/12/39/62/191123962.db2.gz GXXJDYRCMCNXFD-UHFFFAOYSA-N 0 0 317.801 3.722 50 0 DHAARN Cc1ccccc1NC(=O)COC(=O)c1cc(F)ccc1Cl ZINC000072330111 191124191 /nfs/dbraw/zinc/12/41/91/191124191.db2.gz LKFGTAILKLBNKQ-UHFFFAOYSA-N 0 0 321.735 3.583 50 0 DHAARN Cc1ccc(-c2n[nH]cc2C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000072328965 191124420 /nfs/dbraw/zinc/12/44/20/191124420.db2.gz DCYFZXLVLLSGNN-SFHVURJKSA-N 0 0 317.392 3.802 50 0 DHAARN CCOc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000072331814 191125020 /nfs/dbraw/zinc/12/50/20/191125020.db2.gz ABJJGGOLRNDHEP-UHFFFAOYSA-N 0 0 307.752 3.808 50 0 DHAARN COc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1OC ZINC000072331529 191125120 /nfs/dbraw/zinc/12/51/20/191125120.db2.gz MXXDEXBYJVEJKQ-UHFFFAOYSA-N 0 0 313.397 3.757 50 0 DHAARN CCOc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000072331676 191125245 /nfs/dbraw/zinc/12/52/45/191125245.db2.gz DRLDRVZLHNFLAM-UHFFFAOYSA-N 0 0 307.752 3.808 50 0 DHAARN CC(=O)Nc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000072334123 191126735 /nfs/dbraw/zinc/12/67/35/191126735.db2.gz WFVXLWDUPMDNHM-UHFFFAOYSA-N 0 0 303.671 3.503 50 0 DHAARN CN(Cc1cnccn1)C(=O)c1ccccc1Oc1ccccc1 ZINC000172154169 198048217 /nfs/dbraw/zinc/04/82/17/198048217.db2.gz DQEZECARMXEJAG-UHFFFAOYSA-N 0 0 319.364 3.541 50 0 DHAARN Cc1nc(NC(=O)c2ccccc2Br)sc1C ZINC000000035716 180673636 /nfs/dbraw/zinc/67/36/36/180673636.db2.gz XQHYXKZONYURHO-UHFFFAOYSA-N 0 0 311.204 3.775 50 0 DHAARN Cc1nc(C)c(C(=O)Nc2nc(-c3cccnc3)cs2)s1 ZINC000072402842 191150529 /nfs/dbraw/zinc/15/05/29/191150529.db2.gz CWBLPKUWEZRXCT-UHFFFAOYSA-N 0 0 316.411 3.531 50 0 DHAARN COc1ccc(-c2cnn3c2nccc3-c2ccccc2O)cc1 ZINC000072402960 191150602 /nfs/dbraw/zinc/15/06/02/191150602.db2.gz HAUQNSSWAPVPOL-UHFFFAOYSA-N 0 0 317.348 3.778 50 0 DHAARN Cn1ccc2c1cccc2C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000072400760 191151331 /nfs/dbraw/zinc/15/13/31/191151331.db2.gz QXNWUAZRZVHFSV-UHFFFAOYSA-N 0 0 322.364 3.592 50 0 DHAARN Cc1cc2nc(C(C)C)cc(N(C)CC[C@@H]3CCCCO3)n2n1 ZINC000072420061 191156824 /nfs/dbraw/zinc/15/68/24/191156824.db2.gz QAPQSWYAEBAAPI-HNNXBMFYSA-N 0 0 316.449 3.557 50 0 DHAARN CN(Cc1csc(-c2cccs2)n1)C(=O)c1cccnc1 ZINC000072418313 191157610 /nfs/dbraw/zinc/15/76/10/191157610.db2.gz AJRBMOOOBJXBNO-UHFFFAOYSA-N 0 0 315.423 3.539 50 0 DHAARN CCc1cc(N[C@H](CC)c2ccncc2)n2nc(C)c(C)c2n1 ZINC000072417830 191155567 /nfs/dbraw/zinc/15/55/67/191155567.db2.gz BRSCGOKBWJMJES-MRXNPFEDSA-N 0 0 309.417 3.867 50 0 DHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000072414353 191155703 /nfs/dbraw/zinc/15/57/03/191155703.db2.gz DFDBYMLWFWJRTH-UHFFFAOYSA-N 0 0 309.818 3.864 50 0 DHAARN COC(=O)c1cn(C(=O)CCc2ccccc2)c2ccccc12 ZINC000000085426 180687594 /nfs/dbraw/zinc/68/75/94/180687594.db2.gz JBHDEOOQKCSUPN-UHFFFAOYSA-N 0 0 307.349 3.701 50 0 DHAARN O=c1c2ccccc2occ1[C@H]1CC(=O)Nc2ccccc2S1 ZINC000000084993 180687786 /nfs/dbraw/zinc/68/77/86/180687786.db2.gz FTHRKDBIRPGZNR-MRXNPFEDSA-N 0 0 323.373 3.969 50 0 DHAARN CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000000089119 180688951 /nfs/dbraw/zinc/68/89/51/180688951.db2.gz GOIRMFYSMBQYEW-UHFFFAOYSA-N 0 0 322.364 3.840 50 0 DHAARN O=C(Nc1cccc2cccnc21)c1cc2ccccc2oc1=O ZINC000000095265 180690805 /nfs/dbraw/zinc/69/08/05/180690805.db2.gz MDAVSSJZARJWNM-UHFFFAOYSA-N 0 0 316.316 3.594 50 0 DHAARN CC(C)[C@H](C(=O)N1CCC(c2ncc[nH]2)CC1)c1ccccc1 ZINC000072423103 191158263 /nfs/dbraw/zinc/15/82/63/191158263.db2.gz KADSUIJRJVZUKV-KRWDZBQOSA-N 0 0 311.429 3.556 50 0 DHAARN Fc1ccc(-c2cc(N3C[C@H]4C[C@@H]3CCC4)n3nccc3n2)cc1 ZINC000072422168 191158650 /nfs/dbraw/zinc/15/86/50/191158650.db2.gz AGAWRSMLFPXVJJ-CJNGLKHVSA-N 0 0 322.387 3.914 50 0 DHAARN CC[C@@H](C)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 ZINC000000100221 180692574 /nfs/dbraw/zinc/69/25/74/180692574.db2.gz HOONASVMRFDEDQ-CYBMUJFWSA-N 0 0 308.381 3.866 50 0 DHAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1 ZINC000000105030 180694589 /nfs/dbraw/zinc/69/45/89/180694589.db2.gz HKRBXLITKWGPCH-UHFFFAOYSA-N 0 0 315.373 3.887 50 0 DHAARN Cc1[nH]cnc1-c1nccn1[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000072428218 191161583 /nfs/dbraw/zinc/16/15/83/191161583.db2.gz LHOQTNBLHAQHRY-IAGOWNOFSA-N 0 0 322.412 3.892 50 0 DHAARN CC(C)(O)CCc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000072432224 191164772 /nfs/dbraw/zinc/16/47/72/191164772.db2.gz PHKLBXZKMONIQU-RBUKOAKNSA-N 0 0 323.436 3.676 50 0 DHAARN Cc1cc(C)n(-c2nc(C)nc3sc4c(c32)CC[C@H](C)C4)n1 ZINC000000143008 180706634 /nfs/dbraw/zinc/70/66/34/180706634.db2.gz PANSTGUPLLAFNE-VIFPVBQESA-N 0 0 312.442 3.927 50 0 DHAARN CCc1ccccc1OCC(=O)Nc1nc2ccccc2s1 ZINC000000131322 180703598 /nfs/dbraw/zinc/70/35/98/180703598.db2.gz ANSZFMXFGBPVOD-UHFFFAOYSA-N 0 0 312.394 3.876 50 0 DHAARN CC(=O)COc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000000148010 180708199 /nfs/dbraw/zinc/70/81/99/180708199.db2.gz WATADXPPVHNERP-UHFFFAOYSA-N 0 0 324.332 3.862 50 0 DHAARN COC(=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000148978 180708830 /nfs/dbraw/zinc/70/88/30/180708830.db2.gz MABSHWQXWIMTAH-UHFFFAOYSA-N 0 0 312.365 3.990 50 0 DHAARN C[C@@H](c1ccon1)N(C)C(=O)CCCc1ccc(Cl)cc1 ZINC000072476366 191178696 /nfs/dbraw/zinc/17/86/96/191178696.db2.gz YATYFXHKEAZUEA-LBPRGKRZSA-N 0 0 306.793 3.870 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O=C(Nc1ccc(Br)cc1Br)C1CC1 ZINC000006329123 181330341 /nfs/dbraw/zinc/33/03/41/181330341.db2.gz WMORBAPYYBUDPU-UHFFFAOYSA-N 0 0 318.996 3.560 50 0 DHAARN COc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000006339671 181331597 /nfs/dbraw/zinc/33/15/97/181331597.db2.gz ALWFTEZNXGJBDC-UHFFFAOYSA-N 0 0 311.259 3.846 50 0 DHAARN c1csc(-c2ccccc2OCCO[C@@H]2CCCCO2)n1 ZINC000194720886 201276454 /nfs/dbraw/zinc/27/64/54/201276454.db2.gz ASFVUNDYXWIUGL-OAHLLOKOSA-N 0 0 305.399 3.732 50 0 DHAARN COc1ccccc1C1N=NC(=S)N1c1ccc(Cl)cc1 ZINC000006476601 181343276 /nfs/dbraw/zinc/34/32/76/181343276.db2.gz KELXLLSHSRLCCS-UHFFFAOYSA-N 0 0 317.801 3.885 50 0 DHAARN O=C(Cc1cccc2ccccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000006476723 181343744 /nfs/dbraw/zinc/34/37/44/181343744.db2.gz SZQPESSSZJFZNG-GHTZIAJQSA-N 0 0 323.436 3.536 50 0 DHAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccccc3)nc2c1 ZINC000006506716 181347502 /nfs/dbraw/zinc/34/75/02/181347502.db2.gz HAUOAVIVFRRKRQ-GFCCVEGCSA-N 0 0 311.410 3.991 50 0 DHAARN COc1ccc(OC)c(/C=C\C(=O)Oc2ccccc2Cl)c1 ZINC000006497974 181346348 /nfs/dbraw/zinc/34/63/48/181346348.db2.gz WJLDRVPZCOTIPX-YFHOEESVSA-N 0 0 318.756 3.976 50 0 DHAARN Cc1cc(S(=O)(=O)N2CCc3ccccc32)c(C)cc1Cl ZINC000006527740 181349426 /nfs/dbraw/zinc/34/94/26/181349426.db2.gz HMVJXOSBDXBPKA-UHFFFAOYSA-N 0 0 321.829 3.708 50 0 DHAARN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(C)cc1Cl ZINC000006527731 181349461 /nfs/dbraw/zinc/34/94/61/181349461.db2.gz PMDZSIWUFMBBAX-LBPRGKRZSA-N 0 0 301.839 3.520 50 0 DHAARN COc1cccc(CNC(=O)CCCSc2ccccc2)c1 ZINC000006559366 181355281 /nfs/dbraw/zinc/35/52/81/181355281.db2.gz SIQDRQOTQQJVRC-UHFFFAOYSA-N 0 0 315.438 3.884 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1 ZINC000006582980 181357066 /nfs/dbraw/zinc/35/70/66/181357066.db2.gz MMAHLULKKFHFPJ-UHFFFAOYSA-N 0 0 313.304 3.687 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3ccccc3n2)c1C ZINC000006589833 181358878 /nfs/dbraw/zinc/35/88/78/181358878.db2.gz SNKNKWOHCAUYDT-UHFFFAOYSA-N 0 0 307.353 3.635 50 0 DHAARN O=C(Nc1ccccc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000006597677 181359407 /nfs/dbraw/zinc/35/94/07/181359407.db2.gz KNDFONLQZJXVST-OAHLLOKOSA-N 0 0 316.426 3.961 50 0 DHAARN C[C@H](NC(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000006652344 181366081 /nfs/dbraw/zinc/36/60/81/181366081.db2.gz UKUFSUWYMAXMLE-LBPRGKRZSA-N 0 0 318.214 3.869 50 0 DHAARN Cc1ccc(Cl)cc1Nc1c(Cl)c(C)nc2ncnn21 ZINC000006661467 181367568 /nfs/dbraw/zinc/36/75/68/181367568.db2.gz SAXHNFRMCIRJCW-UHFFFAOYSA-N 0 0 308.172 3.792 50 0 DHAARN COc1ccc(/C=C\C(=O)NCc2cccc(Cl)c2)cc1 ZINC000006678260 181369508 /nfs/dbraw/zinc/36/95/08/181369508.db2.gz LBGKVRWHFOIOJM-YFHOEESVSA-N 0 0 301.773 3.678 50 0 DHAARN Cc1cc2c(ncnc2SCC(=O)NC2CCCCC2)s1 ZINC000006677916 181369567 /nfs/dbraw/zinc/36/95/67/181369567.db2.gz SSWAEDSWAWTQEJ-UHFFFAOYSA-N 0 0 321.471 3.541 50 0 DHAARN CCC(=O)N(Cc1nccn1Cc1cc(C)ccc1C)C(C)C ZINC000006690144 181370557 /nfs/dbraw/zinc/37/05/57/181370557.db2.gz IXCKJMKEIZEGNL-UHFFFAOYSA-N 0 0 313.445 3.695 50 0 DHAARN CCN(Cc1nccn1Cc1cc(C)ccc1C)C(=O)C(C)C ZINC000006689708 181370836 /nfs/dbraw/zinc/37/08/36/181370836.db2.gz OAPOBFZFARXFLN-UHFFFAOYSA-N 0 0 313.445 3.553 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000006699760 181372286 /nfs/dbraw/zinc/37/22/86/181372286.db2.gz LVABLQMOINPMSG-KCJUWKMLSA-N 0 0 303.189 3.682 50 0 DHAARN CC(C)c1c(C(=O)NC2CC2)cnn1-c1ccc(Cl)cc1 ZINC000006696579 181371563 /nfs/dbraw/zinc/37/15/63/181371563.db2.gz GOAFFKJOMBEIBJ-UHFFFAOYSA-N 0 0 303.793 3.541 50 0 DHAARN O=C(c1cccc(Cl)c1)N(Cc1ccco1)C1CCOCC1 ZINC000206671956 201429433 /nfs/dbraw/zinc/42/94/33/201429433.db2.gz FSTLGNSYDKDXQJ-UHFFFAOYSA-N 0 0 319.788 3.754 50 0 DHAARN c1ccc(COc2ccccc2CNCc2ccccn2)cc1 ZINC000006701778 181373744 /nfs/dbraw/zinc/37/37/44/181373744.db2.gz DCMDYZGORXHDHO-UHFFFAOYSA-N 0 0 304.393 3.950 50 0 DHAARN O=C(NCc1cccs1)Nc1ccc(Br)cc1 ZINC000006700409 181372970 /nfs/dbraw/zinc/37/29/70/181372970.db2.gz FNTHBGJBAXLWHE-UHFFFAOYSA-N 0 0 311.204 3.832 50 0 DHAARN O=C(NCCc1cccs1)NC12CC3CC(CC(C3)C1)C2 ZINC000006701708 181373406 /nfs/dbraw/zinc/37/34/06/181373406.db2.gz LNFCRZBQOZLISY-UHFFFAOYSA-N 0 0 304.459 3.559 50 0 DHAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccn1 ZINC000006702490 181373535 /nfs/dbraw/zinc/37/35/35/181373535.db2.gz BTXMMQYPYJNPGA-UHFFFAOYSA-N 0 0 314.348 3.877 50 0 DHAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1OC ZINC000006701648 181373610 /nfs/dbraw/zinc/37/36/10/181373610.db2.gz YMFUSJCVMVKVSB-CQSZACIVSA-N 0 0 313.397 3.972 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000006715732 181375791 /nfs/dbraw/zinc/37/57/91/181375791.db2.gz XXYJANDPINSQJU-SNVBAGLBSA-N 0 0 309.291 3.983 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)n2)cc1 ZINC000006715601 181375948 /nfs/dbraw/zinc/37/59/48/181375948.db2.gz DGHABWDVUKPRNY-UHFFFAOYSA-N 0 0 313.357 3.519 50 0 DHAARN Cc1cccc(N)c1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000006715861 181376168 /nfs/dbraw/zinc/37/61/68/181376168.db2.gz HSDHNQUATDYDKO-UHFFFAOYSA-N 0 0 310.275 3.728 50 0 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323.245 3.574 50 0 DHAARN CCc1ccc([C@H]2NC(=O)c3[nH]nc(-c4cccs4)c32)cc1 ZINC000006753343 181384207 /nfs/dbraw/zinc/38/42/07/181384207.db2.gz YNGWWWMIMOXVOW-CQSZACIVSA-N 0 0 309.394 3.533 50 0 DHAARN CCCCN(C)c1nnc(NC(=O)Nc2ccc(F)cc2)s1 ZINC000006768298 181385152 /nfs/dbraw/zinc/38/51/52/181385152.db2.gz VNIDCKIGJPHXBO-UHFFFAOYSA-N 0 0 323.397 3.558 50 0 DHAARN O=c1c2c(c(-c3ccccc3)nn1Cc1ccccc1)CCCC2 ZINC000006767131 181385509 /nfs/dbraw/zinc/38/55/09/181385509.db2.gz ASDNQUQYZKPMDY-UHFFFAOYSA-N 0 0 316.404 3.837 50 0 DHAARN CCCCN(C)c1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000006768925 181386072 /nfs/dbraw/zinc/38/60/72/181386072.db2.gz WVQAHAKYYISOPO-UHFFFAOYSA-N 0 0 323.397 3.558 50 0 DHAARN Cc1cc(OCC(=O)Nc2ccccc2Cc2ccccc2)no1 ZINC000006785369 181388628 /nfs/dbraw/zinc/38/86/28/181388628.db2.gz RDJANKGDEBXMFW-UHFFFAOYSA-N 0 0 322.364 3.591 50 0 DHAARN Cc1ccccc1CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000006788270 181389107 /nfs/dbraw/zinc/38/91/07/181389107.db2.gz BCRITNOUWWGWRE-BFUOFWGJSA-N 0 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O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cccs1 ZINC000017169964 182078304 /nfs/dbraw/zinc/07/83/04/182078304.db2.gz MAARNQLODIFLDV-UHFFFAOYSA-N 0 0 320.320 3.611 50 0 DHAARN C(=C/c1ccccc1)\c1nc(CCn2cnc3ccccc32)no1 ZINC000017178080 182078713 /nfs/dbraw/zinc/07/87/13/182078713.db2.gz HZTBFKKAFVOUDV-ZHACJKMWSA-N 0 0 316.364 3.832 50 0 DHAARN O=C(NCCC1=CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000017334925 182084244 /nfs/dbraw/zinc/08/42/44/182084244.db2.gz XABRUAQOHXHRLW-UHFFFAOYSA-N 0 0 312.413 3.655 50 0 DHAARN COc1ccc(C)cc1CN(C)C(=O)Nc1ccc(F)cc1 ZINC000017742331 182085653 /nfs/dbraw/zinc/08/56/53/182085653.db2.gz MGEFEBFLGNWAGJ-UHFFFAOYSA-N 0 0 302.349 3.807 50 0 DHAARN Cc1cc(C)cc(OCCN(C)C(=O)Nc2ccc(F)cc2)c1 ZINC000017743248 182085671 /nfs/dbraw/zinc/08/56/71/182085671.db2.gz XWVXPLNHLNMAPD-UHFFFAOYSA-N 0 0 316.376 3.985 50 0 DHAARN CCONC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000017821451 182086019 /nfs/dbraw/zinc/08/60/19/182086019.db2.gz UPZLJZFSYMXLCR-UHFFFAOYSA-N 0 0 306.365 3.892 50 0 DHAARN Cc1cc(OCC(=O)N[C@H](C)c2ccco2)ccc1C(C)C ZINC000017805099 182086305 /nfs/dbraw/zinc/08/63/05/182086305.db2.gz LZROSDBBUYGVTN-CQSZACIVSA-N 0 0 301.386 3.968 50 0 DHAARN Cc1cnc(N2C(=O)CS[C@H]2c2cccc(Cl)c2)s1 ZINC000017198011 182079958 /nfs/dbraw/zinc/07/99/58/182079958.db2.gz IUMGCOBGWBQLLW-LBPRGKRZSA-N 0 0 310.831 3.884 50 0 DHAARN CSc1ccc(CN(C)C(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000017972240 182089067 /nfs/dbraw/zinc/08/90/67/182089067.db2.gz MVBPPGQNQILWMJ-UHFFFAOYSA-N 0 0 311.410 3.557 50 0 DHAARN CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000018080026 182091937 /nfs/dbraw/zinc/09/19/37/182091937.db2.gz RFUZUBIBPKOXDO-UHFFFAOYSA-N 0 0 312.413 3.787 50 0 DHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C1 ZINC000018241537 182100630 /nfs/dbraw/zinc/10/06/30/182100630.db2.gz VJRPJNBJMCEWNR-JIMOISOXSA-N 0 0 311.303 3.631 50 0 DHAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 ZINC000018245007 182100906 /nfs/dbraw/zinc/10/09/06/182100906.db2.gz 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/nfs/dbraw/zinc/34/39/59/182343959.db2.gz ZURSHCAKPCUAFQ-UHFFFAOYSA-N 0 0 323.154 3.891 50 0 DHAARN CC[C@H](C(=O)NCc1cc(-c2ccco2)on1)c1ccccc1 ZINC000022768616 182334174 /nfs/dbraw/zinc/33/41/74/182334174.db2.gz ZIEYWMTVEPDHRZ-HNNXBMFYSA-N 0 0 310.353 3.745 50 0 DHAARN CC[C@@H](C(=O)NCCOc1ccc(F)cc1)c1ccccc1 ZINC000023142385 182351243 /nfs/dbraw/zinc/35/12/43/182351243.db2.gz LFPLUCNFQMKXJM-QGZVFWFLSA-N 0 0 301.361 3.515 50 0 DHAARN CCCOc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1 ZINC000023234461 182353626 /nfs/dbraw/zinc/35/36/26/182353626.db2.gz ODPKTIUTPIAXAS-UHFFFAOYSA-N 0 0 308.381 3.887 50 0 DHAARN O=S(=O)(NCC1CCCCC1)c1ccccc1C(F)(F)F ZINC000023075122 182346253 /nfs/dbraw/zinc/34/62/53/182346253.db2.gz GUPHXRIYDNYNBD-UHFFFAOYSA-N 0 0 321.364 3.564 50 0 DHAARN Cc1noc(C)c1CCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000023109533 182347337 /nfs/dbraw/zinc/34/73/37/182347337.db2.gz YLAMOPYEZGCZKF-UHFFFAOYSA-N 0 0 315.398 3.781 50 0 DHAARN O=C(CCOc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 ZINC000023114097 182347834 /nfs/dbraw/zinc/34/78/34/182347834.db2.gz IYWKMYITHYPKQE-SFHVURJKSA-N 0 0 313.372 3.788 50 0 DHAARN CCCCSCC(=O)NCc1ccc(-c2csc(C)n2)o1 ZINC000023130537 182349902 /nfs/dbraw/zinc/34/99/02/182349902.db2.gz JQZMLAPWPDHFLI-UHFFFAOYSA-N 0 0 324.471 3.861 50 0 DHAARN Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc(Cl)cc1 ZINC000023398800 182360278 /nfs/dbraw/zinc/36/02/78/182360278.db2.gz QTBLMCHIJSBCNV-ZDUSSCGKSA-N 0 0 317.820 3.763 50 0 DHAARN COc1ccc(C)cc1CCNC(=O)C[C@H](C)c1ccccc1 ZINC000024112511 182375666 /nfs/dbraw/zinc/37/56/66/182375666.db2.gz SHHVZVZRBOUEMP-INIZCTEOSA-N 0 0 311.425 3.856 50 0 DHAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(-n2ccnc2)cc1 ZINC000024050731 182373448 /nfs/dbraw/zinc/37/34/48/182373448.db2.gz NJRQODSGUQMBHW-UHFFFAOYSA-N 0 0 303.365 3.613 50 0 DHAARN Cc1nc(-c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)no1 ZINC000024054560 182373859 /nfs/dbraw/zinc/37/38/59/182373859.db2.gz UBBIWKCNSWXWNP-UHFFFAOYSA-N 0 0 322.246 3.646 50 0 DHAARN O=C(Nc1cccc(-c2nnco2)c1)C1(c2ccc(F)cc2)CC1 ZINC000024741214 182389497 /nfs/dbraw/zinc/38/94/97/182389497.db2.gz XRKMXNIAVZYORZ-UHFFFAOYSA-N 0 0 323.327 3.546 50 0 DHAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C)ccn1 ZINC000024364538 182379660 /nfs/dbraw/zinc/37/96/60/182379660.db2.gz FDAGBIMNZQXUMH-UHFFFAOYSA-N 0 0 313.382 3.596 50 0 DHAARN Cc1c(C(=O)N2CCCCCC2)cnn1-c1cccc(Cl)c1 ZINC000024478244 182381455 /nfs/dbraw/zinc/38/14/55/182381455.db2.gz BGIKSAXJZSAKMC-UHFFFAOYSA-N 0 0 317.820 3.850 50 0 DHAARN COc1cc(OC)cc(C(=O)N(C)[C@H](C)c2cccs2)c1 ZINC000024538442 182382689 /nfs/dbraw/zinc/38/26/89/182382689.db2.gz UPNGIMBTSFJBHL-LLVKDONJSA-N 0 0 305.399 3.599 50 0 DHAARN O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCCc2ccccc21 ZINC000024613207 182385339 /nfs/dbraw/zinc/38/53/39/182385339.db2.gz SZKHQPLSDPUPRR-KRWDZBQOSA-N 0 0 323.392 3.542 50 0 DHAARN O=C(NCc1ccccc1)N(Cc1ccco1)Cc1cccnc1 ZINC000024988767 182397534 /nfs/dbraw/zinc/39/75/34/182397534.db2.gz YHPSFMRKWFMQMA-UHFFFAOYSA-N 0 0 321.380 3.587 50 0 DHAARN O=C(Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2s1 ZINC000025009351 182398768 /nfs/dbraw/zinc/39/87/68/182398768.db2.gz PJLHZMWSRULMRR-UHFFFAOYSA-N 0 0 320.377 3.734 50 0 DHAARN COc1cccc2cc([C@H](C)NC(=O)c3cccs3)oc21 ZINC000025139609 182402729 /nfs/dbraw/zinc/40/27/29/182402729.db2.gz QNEFVIQXUPUJTN-JTQLQIEISA-N 0 0 301.367 3.994 50 0 DHAARN c1coc(-c2nc(CSc3nccn3-c3ccccc3)no2)c1 ZINC000024864341 182393116 /nfs/dbraw/zinc/39/31/16/182393116.db2.gz IFVJQLCTOFMGKZ-UHFFFAOYSA-N 0 0 324.365 3.808 50 0 DHAARN Cc1cccc(C(=O)Nc2ncc(Cc3ccccc3)s2)n1 ZINC000024914938 182394232 /nfs/dbraw/zinc/39/42/32/182394232.db2.gz ULMJLOZQWLANDG-UHFFFAOYSA-N 0 0 309.394 3.690 50 0 DHAARN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCc2ccccc21 ZINC000024964022 182396002 /nfs/dbraw/zinc/39/60/02/182396002.db2.gz LAJCRSFQVWTKFU-UHFFFAOYSA-N 0 0 323.783 3.933 50 0 DHAARN COC(=O)c1ccc(CSc2nccn2-c2ccccc2)cc1 ZINC000025970742 182427339 /nfs/dbraw/zinc/42/73/39/182427339.db2.gz FKGPCQHAWPYJCG-UHFFFAOYSA-N 0 0 324.405 3.951 50 0 DHAARN COc1ccc(C(C)=O)cc1CC(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000098071022 193782358 /nfs/dbraw/zinc/78/23/58/193782358.db2.gz BDTVYZAXILILRO-BLLLJJGKSA-N 0 0 304.386 3.562 50 0 DHAARN Cc1ccc(-c2nsc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000027584712 182481134 /nfs/dbraw/zinc/48/11/34/182481134.db2.gz PKLKHRIROFCCMV-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN CCc1cccc(CC)c1NC(=O)CSc1c(C)n[nH]c1C ZINC000027756569 182489815 /nfs/dbraw/zinc/48/98/15/182489815.db2.gz XQBWIFAFKQMCTC-UHFFFAOYSA-N 0 0 317.458 3.882 50 0 DHAARN O=C(CCc1ccco1)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000029675732 182573783 /nfs/dbraw/zinc/57/37/83/182573783.db2.gz WPOCAECUUSYDMR-UHFFFAOYSA-N 0 0 313.328 3.928 50 0 DHAARN CC(=O)/N=c1\scc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000100312494 193798493 /nfs/dbraw/zinc/79/84/93/193798493.db2.gz GUAVCSPNUKZDJI-HNENSFHCSA-N 0 0 308.406 3.961 50 0 DHAARN COc1ccc(-c2nc(COc3cccc(Cl)c3)no2)cc1 ZINC000031676539 182620061 /nfs/dbraw/zinc/62/00/61/182620061.db2.gz WMHZGNUWLAOJKN-UHFFFAOYSA-N 0 0 316.744 3.978 50 0 DHAARN CSc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1 ZINC000031819937 182625072 /nfs/dbraw/zinc/62/50/72/182625072.db2.gz FCSQMXILMWGYKK-GFCCVEGCSA-N 0 0 311.410 3.958 50 0 DHAARN C[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000032765550 182660891 /nfs/dbraw/zinc/66/08/91/182660891.db2.gz SZQADIPGYOGFQF-CQSZACIVSA-N 0 0 309.413 3.622 50 0 DHAARN Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000032738307 182657574 /nfs/dbraw/zinc/65/75/74/182657574.db2.gz DXDXNAPNMUTYKY-UONOGXRCSA-N 0 0 323.396 3.516 50 0 DHAARN COc1ccccc1-c1cc(CN2CCc3ccccc3C2)on1 ZINC000032868750 182672673 /nfs/dbraw/zinc/67/26/73/182672673.db2.gz SGHAXEYREKOGPM-UHFFFAOYSA-N 0 0 320.392 3.909 50 0 DHAARN C[C@H]1CCCC[C@@H]1NC(=O)NCc1coc(-c2cccs2)n1 ZINC000032870409 182673218 /nfs/dbraw/zinc/67/32/18/182673218.db2.gz FWIGTUPUUPFEEX-AAEUAGOBSA-N 0 0 319.430 3.781 50 0 DHAARN C[C@@H]1CCCC[C@H]1NC(=O)NCc1coc(-c2cccs2)n1 ZINC000032870411 182673324 /nfs/dbraw/zinc/67/33/24/182673324.db2.gz FWIGTUPUUPFEEX-DGCLKSJQSA-N 0 0 319.430 3.781 50 0 DHAARN Cc1ccc(SCc2cc(=O)n3c4ccccc4nc3[nH]2)cc1 ZINC000100791332 193804526 /nfs/dbraw/zinc/80/45/26/193804526.db2.gz OTUWOZKYIZXGKM-UHFFFAOYSA-N 0 0 321.405 3.777 50 0 DHAARN Clc1ccccc1[C@@H]1CC(c2ccccc2)=Nc2ncnn21 ZINC000100817356 193804825 /nfs/dbraw/zinc/80/48/25/193804825.db2.gz IFKOAKBIMFPUFV-INIZCTEOSA-N 0 0 308.772 3.988 50 0 DHAARN O=C(c1c[nH]c2ccccc21)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000032937801 182684440 /nfs/dbraw/zinc/68/44/40/182684440.db2.gz GGOYCNYKTVPYSU-SFHVURJKSA-N 0 0 324.355 3.521 50 0 DHAARN CCc1noc(-c2ccccc2NC(=O)c2cccc(OC)c2)n1 ZINC000033012687 182688812 /nfs/dbraw/zinc/68/88/12/182688812.db2.gz ORXPUDFGQQSYIT-UHFFFAOYSA-N 0 0 323.352 3.560 50 0 DHAARN Nc1nn(C(=O)c2ccccc2-c2ccccc2)c2ccccc12 ZINC000032912305 182678170 /nfs/dbraw/zinc/67/81/70/182678170.db2.gz WSTQNDQRSABAGO-UHFFFAOYSA-N 0 0 313.360 3.974 50 0 DHAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000032931247 182682867 /nfs/dbraw/zinc/68/28/67/182682867.db2.gz REZQBCQQVAOHRP-NOZJJQNGSA-N 0 0 320.647 3.971 50 0 DHAARN O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1 ZINC000032930803 182682873 /nfs/dbraw/zinc/68/28/73/182682873.db2.gz OTFPLFUAKYEYRX-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN c1cc(-c2ccc(CNc3ncnc4ccsc43)cc2)n[nH]1 ZINC000032932647 182683346 /nfs/dbraw/zinc/68/33/46/182683346.db2.gz BYWDXEWAUJZBSN-UHFFFAOYSA-N 0 0 307.382 3.694 50 0 DHAARN CC(C)(C)c1noc(CCCC(=O)NC2CCCCCC2)n1 ZINC000033148163 182695199 /nfs/dbraw/zinc/69/51/99/182695199.db2.gz HRMHCLVVRXJVQU-UHFFFAOYSA-N 0 0 307.438 3.529 50 0 DHAARN O=C(c1ccoc1)N1CCC(CCOc2ccc(F)cc2)CC1 ZINC000033311842 182702121 /nfs/dbraw/zinc/70/21/21/182702121.db2.gz IWZWMYSIUXRNBB-UHFFFAOYSA-N 0 0 317.360 3.740 50 0 DHAARN O=C(OCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000034099422 182730041 /nfs/dbraw/zinc/73/00/41/182730041.db2.gz ZREYSAAUCNAYDU-UHFFFAOYSA-N 0 0 300.745 3.616 50 0 DHAARN Cc1cccc(-n2cnc(C(=O)Nc3ccc(C(C)C)cc3)n2)c1 ZINC000034910779 182743154 /nfs/dbraw/zinc/74/31/54/182743154.db2.gz POWWJOVJXHTTEM-UHFFFAOYSA-N 0 0 320.396 3.951 50 0 DHAARN COc1ccc2c(c1)[C@H](C)N1C(=O)c3cc(Cl)ccc3[C@@H]1O2 ZINC000035324785 182770862 /nfs/dbraw/zinc/77/08/62/182770862.db2.gz KDBATVNHYJHSPM-XYZCENFISA-N 0 0 315.756 3.957 50 0 DHAARN CCn1cnc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc21 ZINC000035453420 182777254 /nfs/dbraw/zinc/77/72/54/182777254.db2.gz NBYLQJUTGSIPQK-UHFFFAOYSA-N 0 0 322.343 3.836 50 0 DHAARN CCn1ccc(-c2nc(-c3oc4ccc(OC)cc4c3C)no2)n1 ZINC000035527552 182779114 /nfs/dbraw/zinc/77/91/14/182779114.db2.gz GXMQZQYIFQNBDA-UHFFFAOYSA-N 0 0 324.340 3.683 50 0 DHAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(C)CC1 ZINC000035536070 182779248 /nfs/dbraw/zinc/77/92/48/182779248.db2.gz QWGUIEYGYZZLKP-UHFFFAOYSA-N 0 0 302.349 3.661 50 0 DHAARN Cc1ncc(NC(=O)C2CC2)n1-c1nc(-c2ccccc2)cs1 ZINC000035682921 182786098 /nfs/dbraw/zinc/78/60/98/182786098.db2.gz RYTIFOFRFFGPEQ-UHFFFAOYSA-N 0 0 324.409 3.653 50 0 DHAARN Cc1noc2nc(C)cc(C(=O)NC3CCCCCCC3)c12 ZINC000036367038 182819909 /nfs/dbraw/zinc/81/99/09/182819909.db2.gz QFPNEYAMBGCLGG-UHFFFAOYSA-N 0 0 301.390 3.682 50 0 DHAARN CC[C@@H](C)NC(=O)c1csc(COc2cccc(Cl)c2)n1 ZINC000036084372 182795933 /nfs/dbraw/zinc/79/59/33/182795933.db2.gz OJCCQNOQRJFFEC-SNVBAGLBSA-N 0 0 324.833 3.904 50 0 DHAARN CCOc1ccc(C(=O)NCc2ccccc2C)cc1OCC ZINC000036773867 182842987 /nfs/dbraw/zinc/84/29/87/182842987.db2.gz VCLXMHZOOMCELR-UHFFFAOYSA-N 0 0 313.397 3.722 50 0 DHAARN C[C@@H]1CN(C(=O)/C=C/c2cccc(Cl)c2Cl)[C@H](C)CO1 ZINC000036395331 182824286 /nfs/dbraw/zinc/82/42/86/182824286.db2.gz KPDZZCIWAPVQEJ-AFPRHGJPSA-N 0 0 314.212 3.642 50 0 DHAARN COc1cc(Br)c(Cl)cc1Br ZINC000036532754 182826385 /nfs/dbraw/zinc/82/63/85/182826385.db2.gz LETNTRISWOPNKQ-UHFFFAOYSA-N 0 0 300.377 3.874 50 0 DHAARN Cc1cccc(Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1C ZINC000036674534 182834631 /nfs/dbraw/zinc/83/46/31/182834631.db2.gz GSLHARLQTGTLNV-MRXNPFEDSA-N 0 0 324.424 3.956 50 0 DHAARN CC(C)(C(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000036759007 182841239 /nfs/dbraw/zinc/84/12/39/182841239.db2.gz MHYQGPJEBYOXEF-UHFFFAOYSA-N 0 0 319.351 3.882 50 0 DHAARN CC[C@H](C)C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 ZINC000037143070 182869403 /nfs/dbraw/zinc/86/94/03/182869403.db2.gz JRAAQJABFOSELN-ZETCQYMHSA-N 0 0 314.361 3.695 50 0 DHAARN COc1cc(C(=O)Nc2ccccc2)ccc1Br ZINC000038537162 183001686 /nfs/dbraw/zinc/00/16/86/183001686.db2.gz AIWJLYCHRYWNNL-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN COc1ccc([C@H]2CCN(C(=O)c3ccccc3Cl)C2)cc1 ZINC000038566488 183002333 /nfs/dbraw/zinc/00/23/33/183002333.db2.gz QXIXSNPVLVMNJU-AWEZNQCLSA-N 0 0 315.800 3.978 50 0 DHAARN Cc1ccc(Cl)cc1NCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000039987721 183026883 /nfs/dbraw/zinc/02/68/83/183026883.db2.gz JNPFBHDEKOZBBR-UHFFFAOYSA-N 0 0 321.808 3.985 50 0 DHAARN CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc21 ZINC000040069713 183030816 /nfs/dbraw/zinc/03/08/16/183030816.db2.gz OTJAKWKPACYPGG-WCQYABFASA-N 0 0 301.390 3.655 50 0 DHAARN Cc1ccc([C@@H](C)NS(=O)(=O)C2=Cc3ccccc3CC2)o1 ZINC000039972295 183025698 /nfs/dbraw/zinc/02/56/98/183025698.db2.gz MDHGDZVGQONYAV-CYBMUJFWSA-N 0 0 317.410 3.556 50 0 DHAARN Cc1ccc(C)n1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000040146579 183040035 /nfs/dbraw/zinc/04/00/35/183040035.db2.gz YKYNZTSYHFZTMW-SFHVURJKSA-N 0 0 302.393 3.758 50 0 DHAARN CCc1c(C(=O)N(C)CC2CC2)cnn1-c1cccc(Cl)c1 ZINC000040151990 183040193 /nfs/dbraw/zinc/04/01/93/183040193.db2.gz IDAMVJLFRMTALW-UHFFFAOYSA-N 0 0 317.820 3.570 50 0 DHAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1F ZINC000040156075 183040456 /nfs/dbraw/zinc/04/04/56/183040456.db2.gz YBIYLIZMMGBHFZ-CYBMUJFWSA-N 0 0 322.383 3.995 50 0 DHAARN COC(=O)c1ccccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000040159816 183041011 /nfs/dbraw/zinc/04/10/11/183041011.db2.gz FSSBICSSICUTEF-UHFFFAOYSA-N 0 0 319.360 3.808 50 0 DHAARN Cc1cccc(N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000040161220 183041216 /nfs/dbraw/zinc/04/12/16/183041216.db2.gz SVQPHXNIAVOCIS-IAGOWNOFSA-N 0 0 310.441 3.933 50 0 DHAARN Cc1cccc(N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000040161219 183041416 /nfs/dbraw/zinc/04/14/16/183041416.db2.gz SVQPHXNIAVOCIS-SJORKVTESA-N 0 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O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2cnco2)cc1 ZINC000047412932 183590862 /nfs/dbraw/zinc/59/08/62/183590862.db2.gz UWQFADKYXVDEAK-MRXNPFEDSA-N 0 0 320.348 3.595 50 0 DHAARN CCCOc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1OC ZINC000048324418 183643949 /nfs/dbraw/zinc/64/39/49/183643949.db2.gz YQFUDMUCTFPZOY-CYBMUJFWSA-N 0 0 305.418 3.851 50 0 DHAARN O=c1nc(-c2ccsc2)[nH]c2sc3c(c21)CCSC3 ZINC000048622785 183671703 /nfs/dbraw/zinc/67/17/03/183671703.db2.gz SBJIIISKTAQANN-UHFFFAOYSA-N 0 0 306.437 3.502 50 0 DHAARN CCOc1c(Cl)cccc1NC(=O)c1cnn(C(C)(C)C)c1 ZINC000053347086 183899421 /nfs/dbraw/zinc/89/94/21/183899421.db2.gz CAHJNBXAJROMKL-UHFFFAOYSA-N 0 0 321.808 3.943 50 0 DHAARN CCN(C(=O)c1ccc(Cn2cccn2)cc1)c1ccccc1 ZINC000054867233 183953521 /nfs/dbraw/zinc/95/35/21/183953521.db2.gz DWWJGFUTAVJOEL-UHFFFAOYSA-N 0 0 305.381 3.598 50 0 DHAARN Cc1nc(S[C@@H](C)CCc2ccccc2)sc1CC(N)=O ZINC000054916036 183954747 /nfs/dbraw/zinc/95/47/47/183954747.db2.gz WKRZBTQKCISMFV-NSHDSACASA-N 0 0 320.483 3.593 50 0 DHAARN CCCN(C/C=C/c1ccccc1)C(=O)CCn1nccc1C ZINC000055370394 183982919 /nfs/dbraw/zinc/98/29/19/183982919.db2.gz VAUPAEGIUOEFHD-JXMROGBWSA-N 0 0 311.429 3.534 50 0 DHAARN O=C(/C=C\c1nc2ccccc2s1)NOCc1ccccc1 ZINC000056696541 184017950 /nfs/dbraw/zinc/01/79/50/184017950.db2.gz HDAMJDKSVMBXQK-KHPPLWFESA-N 0 0 310.378 3.558 50 0 DHAARN O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1C1CCCC1 ZINC000056033957 184002897 /nfs/dbraw/zinc/00/28/97/184002897.db2.gz XRAMOBQEINIYSQ-MRXNPFEDSA-N 0 0 311.381 3.588 50 0 DHAARN O=C(NC1CC1)[C@@H](Nc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000056173988 184006619 /nfs/dbraw/zinc/00/66/19/184006619.db2.gz HHSZTHWINDLZDL-INIZCTEOSA-N 0 0 318.779 3.911 50 0 DHAARN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccoc1 ZINC000056274580 184008720 /nfs/dbraw/zinc/00/87/20/184008720.db2.gz UWUPRBWHXHAISU-CYBMUJFWSA-N 0 0 321.760 3.743 50 0 DHAARN C/C(=C\C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)C1CC1 ZINC000057072338 184026456 /nfs/dbraw/zinc/02/64/56/184026456.db2.gz QYPVKVGVLRNVRU-FQNOHDAGSA-N 0 0 310.397 3.890 50 0 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Fc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055543083 563475968 /nfs/dbraw/zinc/47/59/68/563475968.db2.gz XCNNYFCGHTYRNS-UHFFFAOYSA-N 0 0 304.796 3.801 50 0 DHAARN C[C@@H](/C=C/c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O ZINC000000011658 563211118 /nfs/dbraw/zinc/21/11/18/563211118.db2.gz UAIYNMRLUHHRMF-FYJFLYSWSA-N 0 0 316.332 3.790 50 0 in-vitro DHAARN Cc1oc2ccc(OC(=O)C(C)C)cc2c1C(=O)OC(C)C ZINC000000044055 563211644 /nfs/dbraw/zinc/21/16/44/563211644.db2.gz GJGLRKDOZRQPLO-UHFFFAOYSA-N 0 0 304.342 3.868 50 0 biogenic DHAARN O=C(CN1CCc2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000000049047 563211829 /nfs/dbraw/zinc/21/18/29/563211829.db2.gz UOYWWQUADMSTBX-UHFFFAOYSA-N 0 0 321.207 3.995 50 0 DHAARN CCCc1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000000048541 563211840 /nfs/dbraw/zinc/21/18/40/563211840.db2.gz QKNFWJQMHSXPGM-UHFFFAOYSA-N 0 0 311.381 3.859 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)c1ccc(OC(C)=O)cc1 ZINC000000049673 563211850 /nfs/dbraw/zinc/21/18/50/563211850.db2.gz YMEDLJMGLMYTQC-UHFFFAOYSA-N 0 0 319.744 3.526 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DHAARN O=C(NCCc1cccs1)c1ccc(OC(F)(F)F)cc1 ZINC000000108141 563218285 /nfs/dbraw/zinc/21/82/85/563218285.db2.gz MKVCLJXWCYJLLO-UHFFFAOYSA-N 0 0 315.316 3.619 50 0 DHAARN O=C1C[C@@H](c2ccco2)Cc2nc(NCc3ccccc3)ncc21 ZINC000000118832 563219767 /nfs/dbraw/zinc/21/97/67/563219767.db2.gz NRIUSNXTNZPUTG-AWEZNQCLSA-N 0 0 319.364 3.594 50 0 DHAARN O=C(CSc1nnc(Cc2ccsc2)o1)c1ccccc1 ZINC000000121137 563219845 /nfs/dbraw/zinc/21/98/45/563219845.db2.gz DEJORBRQZIXKQM-UHFFFAOYSA-N 0 0 316.407 3.697 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000000117694 563220077 /nfs/dbraw/zinc/22/00/77/563220077.db2.gz RAKJZEFCWOZLAP-UHFFFAOYSA-N 0 0 313.353 3.513 50 0 DHAARN CCOC(=O)c1ccc(Nc2ncnc3ccc(C)cc32)cc1 ZINC000000122940 563220482 /nfs/dbraw/zinc/22/04/82/563220482.db2.gz RDXWHRXAEHLSIG-UHFFFAOYSA-N 0 0 307.353 3.859 50 0 DHAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1ccccc1 ZINC000000129820 563221753 /nfs/dbraw/zinc/22/17/53/563221753.db2.gz GCRYIIKGCYMCHD-CQSZACIVSA-N 0 0 317.816 3.775 50 0 DHAARN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1F ZINC000000130214 563221814 /nfs/dbraw/zinc/22/18/14/563221814.db2.gz KHKJGTLOTIYLGP-UHFFFAOYSA-N 0 0 314.360 3.560 50 0 DHAARN Cc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000132341 563221817 /nfs/dbraw/zinc/22/18/17/563221817.db2.gz KRRHIEDPTCNUPZ-GFCCVEGCSA-N 0 0 324.449 3.940 50 0 DHAARN O=c1oc(-c2cccc(F)c2)nc2ccc(Br)cc12 ZINC000000138863 563223006 /nfs/dbraw/zinc/22/30/06/563223006.db2.gz RRGCYGKISYYHRT-UHFFFAOYSA-N 0 0 320.117 3.757 50 0 DHAARN COc1ccccc1OC(=O)COc1ccc(Cl)cc1C ZINC000000142336 563223153 /nfs/dbraw/zinc/22/31/53/563223153.db2.gz YORPFHGIAZMAHQ-UHFFFAOYSA-N 0 0 306.745 3.641 50 0 DHAARN NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000143023 563223502 /nfs/dbraw/zinc/22/35/02/563223502.db2.gz ZHLHOYCEJNEVGW-UHFFFAOYSA-N 0 0 316.360 3.705 50 0 DHAARN COc1ccc(NC(=O)c2c(OC)cccc2OC)cc1Cl ZINC000000145318 563223827 /nfs/dbraw/zinc/22/38/27/563223827.db2.gz QYABGSWUOIXLOQ-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN Cc1cccnc1-n1c(-c2ccccc2)nc2ccccc2c1=O ZINC000000144050 563223944 /nfs/dbraw/zinc/22/39/44/563223944.db2.gz OLYZPTADANYRLL-UHFFFAOYSA-N 0 0 313.360 3.756 50 0 DHAARN O=C1Nc2ccccc2C1=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000000152546 563225315 /nfs/dbraw/zinc/22/53/15/563225315.db2.gz IDWQKVGKWZLJDV-DHDCSXOGSA-N 0 0 305.312 3.709 50 0 DHAARN O=S1(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccccc21 ZINC000000169874 563227018 /nfs/dbraw/zinc/22/70/18/563227018.db2.gz QIZPHRDUJPGYIB-CYBMUJFWSA-N 0 0 310.827 3.961 50 0 DHAARN O=c1ccc2ccccc2n1Nc1ccc(Br)cc1 ZINC000000174079 563227975 /nfs/dbraw/zinc/22/79/75/563227975.db2.gz OPAKRGSJHULFTR-UHFFFAOYSA-N 0 0 315.170 3.639 50 0 DHAARN O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1Cc1ccco1 ZINC000000183500 563228674 /nfs/dbraw/zinc/22/86/74/563228674.db2.gz QXIZNGPMUWLSIO-SFHVURJKSA-N 0 0 320.348 3.752 50 0 DHAARN CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000000187739 563229214 /nfs/dbraw/zinc/22/92/14/563229214.db2.gz PNNUBWKIHOHFFY-WJDWOHSUSA-N 0 0 311.312 3.569 50 0 DHAARN COc1ccc2nc(SC(=O)c3ccccc3)nc(C)c2c1 ZINC000000198992 563229624 /nfs/dbraw/zinc/22/96/24/563229624.db2.gz CPBBNSZJGREQOL-UHFFFAOYSA-N 0 0 310.378 3.879 50 0 DHAARN Cc1nn2c(ncc(-c3ccccc3)c2N)c1-c1ccccc1 ZINC000000208688 563230753 /nfs/dbraw/zinc/23/07/53/563230753.db2.gz HZIZOZUCCZIIGK-UHFFFAOYSA-N 0 0 300.365 3.954 50 0 DHAARN COc1ccc(-c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 ZINC000000208556 563231166 /nfs/dbraw/zinc/23/11/66/563231166.db2.gz PYCSQDKORCZJDJ-UHFFFAOYSA-N 0 0 307.275 3.732 50 0 DHAARN CCOC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1N ZINC000000224906 563231773 /nfs/dbraw/zinc/23/17/73/563231773.db2.gz LPDAHHYEWASLGO-UHFFFAOYSA-N 0 0 314.819 3.681 50 0 DHAARN O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1 ZINC000000236891 563232302 /nfs/dbraw/zinc/23/23/02/563232302.db2.gz QQQYTWIFVNKMRW-UHFFFAOYSA-N 0 0 310.687 3.580 50 0 endogenous,in-man DHAARN Nc1ccc(C(=O)OCc2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000000247963 563233387 /nfs/dbraw/zinc/23/33/87/563233387.db2.gz MUNXPFPYDLZAKA-UHFFFAOYSA-N 0 0 317.348 3.655 50 0 DHAARN COC(=O)c1ccc(Nc2ncnc3sc(C)c(C)c32)cc1 ZINC000000250292 563233552 /nfs/dbraw/zinc/23/35/52/563233552.db2.gz HAGFDAQNTXZVAT-UHFFFAOYSA-N 0 0 313.382 3.838 50 0 DHAARN CCOc1ccccc1C(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000000249689 563233554 /nfs/dbraw/zinc/23/35/54/563233554.db2.gz JDCCSJWTWSIHRV-UHFFFAOYSA-N 0 0 319.430 3.778 50 0 DHAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000000246290 563233590 /nfs/dbraw/zinc/23/35/90/563233590.db2.gz CSTYDWJZXIKUDB-UHFFFAOYSA-N 0 0 320.172 3.933 50 0 DHAARN Cc1nc2ncccn2c1-c1csc(Nc2cc(C)ccn2)n1 ZINC000000246783 563233593 /nfs/dbraw/zinc/23/35/93/563233593.db2.gz PKETVMZCQPYHNS-UHFFFAOYSA-N 0 0 322.397 3.608 50 0 DHAARN O=C(Nc1ccc(F)c(F)c1)c1ccccc1Br ZINC000000255435 563234071 /nfs/dbraw/zinc/23/40/71/563234071.db2.gz POKIAMLZCXCZST-UHFFFAOYSA-N 0 0 312.113 3.980 50 0 DHAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(CC)cc2)c1C ZINC000000253672 563234290 /nfs/dbraw/zinc/23/42/90/563234290.db2.gz ZYKYZKCBZAQIPM-UHFFFAOYSA-N 0 0 314.385 3.623 50 0 DHAARN CC(C)(C)C1=NN(C(=O)c2ccccc2)[C@](O)(C(C)(C)C)C1 ZINC000000276561 563235362 /nfs/dbraw/zinc/23/53/62/563235362.db2.gz LXEPHADHRTZNCT-GOSISDBHSA-N 0 0 302.418 3.669 50 0 DHAARN O=S(=O)(Cc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000000304083 563238524 /nfs/dbraw/zinc/23/85/24/563238524.db2.gz IVMBRHMJDROQBI-UHFFFAOYSA-N 0 0 316.209 3.935 50 0 DHAARN O=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Br)c1 ZINC000000309097 563238933 /nfs/dbraw/zinc/23/89/33/563238933.db2.gz HILWFYVDEOZIEG-UHFFFAOYSA-N 0 0 323.117 3.620 50 0 DHAARN COc1ccc(CCNC(=O)CCC2CCCCC2)cc1OC ZINC000000311782 563239472 /nfs/dbraw/zinc/23/94/72/563239472.db2.gz YVTCKAPSDZMAKB-UHFFFAOYSA-N 0 0 319.445 3.723 50 0 DHAARN COc1cc(SC)ccc1C(=O)Nc1cccc(C(C)=O)c1 ZINC000000310881 563239604 /nfs/dbraw/zinc/23/96/04/563239604.db2.gz VSWPVWBNCJCACD-UHFFFAOYSA-N 0 0 315.394 3.872 50 0 DHAARN COc1ccc(/C=C/C(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000000315073 563240437 /nfs/dbraw/zinc/24/04/37/563240437.db2.gz ZOKRPMPFGBMSDA-ZPHJMFTNSA-N 0 0 307.393 3.725 50 0 DHAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc2ccccc2s1 ZINC000000337645 563242088 /nfs/dbraw/zinc/24/20/88/563242088.db2.gz GAUZBXMEYGHPTF-SOFGYWHQSA-N 0 0 324.361 3.677 50 0 DHAARN COc1cc(OC)c(NC(=O)CCc2ccccc2)cc1Cl ZINC000000342151 563242168 /nfs/dbraw/zinc/24/21/68/563242168.db2.gz IANFLZMMAXVMOM-UHFFFAOYSA-N 0 0 319.788 3.929 50 0 DHAARN O=c1c(Cl)c(Cl)cnn1-c1cccc(C(F)(F)F)c1 ZINC000000346543 563242821 /nfs/dbraw/zinc/24/28/21/563242821.db2.gz JPOZWFWEIRIGHP-UHFFFAOYSA-N 0 0 309.074 3.558 50 0 in-vitro DHAARN COc1ccc(OC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000000359003 563244421 /nfs/dbraw/zinc/24/44/21/563244421.db2.gz LFUVTCIXQUTZAQ-UHFFFAOYSA-N 0 0 306.745 3.641 50 0 DHAARN COc1ccc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000000362457 563244653 /nfs/dbraw/zinc/24/46/53/563244653.db2.gz AFBKLBYJOMCASK-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN COc1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000000362811 563244836 /nfs/dbraw/zinc/24/48/36/563244836.db2.gz JSCDVENNYSRBMK-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN COc1cc(C(=O)Nc2cccc(C)c2C)cc(OC)c1OC ZINC000000363007 563244958 /nfs/dbraw/zinc/24/49/58/563244958.db2.gz YWXJTRMAQNMPCK-UHFFFAOYSA-N 0 0 315.369 3.582 50 0 DHAARN CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000000363744 563245195 /nfs/dbraw/zinc/24/51/95/563245195.db2.gz SSIGHDCPZUDZHA-UHFFFAOYSA-N 0 0 317.454 3.505 50 0 DHAARN O=C(CSCc1c(F)cccc1Cl)N1CCCCC1 ZINC000000366595 563245754 /nfs/dbraw/zinc/24/57/54/563245754.db2.gz GCZJIMSENAKYNR-UHFFFAOYSA-N 0 0 301.814 3.725 50 0 DHAARN COc1ccc(OC)c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000000367288 563245895 /nfs/dbraw/zinc/24/58/95/563245895.db2.gz QDIVMMKYCSXVSY-UHFFFAOYSA-N 0 0 323.751 3.678 50 0 DHAARN Cc1ccc(CSc2nnc(-c3ccc(N)cc3)n2C)cc1 ZINC000000368125 563246569 /nfs/dbraw/zinc/24/65/69/563246569.db2.gz NAZYVTAVJMBPLA-UHFFFAOYSA-N 0 0 310.426 3.665 50 0 DHAARN COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1OC ZINC000000374540 563246920 /nfs/dbraw/zinc/24/69/20/563246920.db2.gz AWIQNIBWMSWJAV-UHFFFAOYSA-N 0 0 323.295 3.558 50 0 DHAARN C[C@H](Oc1ccccc1)C(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000000380340 563247530 /nfs/dbraw/zinc/24/75/30/563247530.db2.gz LNQQVRWJCIXADU-NSHDSACASA-N 0 0 319.430 3.533 50 0 DHAARN Cn1nc(C(C)(C)C)c2cc3c(F)c(F)c(F)c(F)c3nc21 ZINC000000383909 563248229 /nfs/dbraw/zinc/24/82/29/563248229.db2.gz XWAKJCMEIBKIBG-UHFFFAOYSA-N 0 0 311.282 3.975 50 0 DHAARN Clc1cccc(-c2nnc3sc(-c4cccnc4)nn32)c1 ZINC000000383165 563248374 /nfs/dbraw/zinc/24/83/74/563248374.db2.gz SANYLFMVLWQQPA-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN c1ccc2c(c1)CCN(c1ncnc3sc4c(c31)CCC4)C2 ZINC000000390192 563249447 /nfs/dbraw/zinc/24/94/47/563249447.db2.gz ZYMXQLJXPNFMEL-UHFFFAOYSA-N 0 0 307.422 3.743 50 0 DHAARN O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCCCC1 ZINC000000386111 563249466 /nfs/dbraw/zinc/24/94/66/563249466.db2.gz XSEBPPOMVWKWBX-UHFFFAOYSA-N 0 0 324.833 3.976 50 0 DHAARN COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1 ZINC000000390960 563249942 /nfs/dbraw/zinc/24/99/42/563249942.db2.gz IDOWTHOLJBTAFI-UHFFFAOYSA-N 0 0 300.314 3.784 50 0 in-vivo DHAARN CCCc1ccc(OCC(=O)c2ccc(OC)cc2OC)cc1 ZINC000000408287 563252047 /nfs/dbraw/zinc/25/20/47/563252047.db2.gz DKPYBFIYZASZIX-UHFFFAOYSA-N 0 0 314.381 3.918 50 0 DHAARN CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccccc1 ZINC000000426460 563252755 /nfs/dbraw/zinc/25/27/55/563252755.db2.gz UTEZQLWGYKCOER-UHFFFAOYSA-N 0 0 315.380 3.974 50 0 DHAARN COc1cccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)c1 ZINC000000430980 563252799 /nfs/dbraw/zinc/25/27/99/563252799.db2.gz YXZYLXONUUUAMA-DWLYSLLYSA-N 0 0 305.333 3.705 50 0 DHAARN COc1ccc(C(=O)Oc2ccc(Cl)cc2C(C)=O)cc1 ZINC000000433418 563253513 /nfs/dbraw/zinc/25/35/13/563253513.db2.gz SAVGGPPGGZXVPM-UHFFFAOYSA-N 0 0 304.729 3.770 50 0 DHAARN COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccccc3)[C@H]1CC2 ZINC000000439537 563253791 /nfs/dbraw/zinc/25/37/91/563253791.db2.gz BACDCFIUEPUECQ-PXNSSMCTSA-N 0 0 320.392 3.565 50 0 DHAARN CSc1nnc2c(n1)O[C@@H](c1ccccc1)Nc1ccccc1-2 ZINC000000436332 563253946 /nfs/dbraw/zinc/25/39/46/563253946.db2.gz IIFUEPHMJGNWLW-HNNXBMFYSA-N 0 0 322.393 3.764 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CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCS3 ZINC000000456433 563257836 /nfs/dbraw/zinc/25/78/36/563257836.db2.gz UADQASVQSHCCOG-GOSISDBHSA-N 0 0 312.438 3.630 50 0 DHAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2ccccc2c1 ZINC000000456675 563257961 /nfs/dbraw/zinc/25/79/61/563257961.db2.gz HKPCFBUHCDPTHY-MDZDMXLPSA-N 0 0 322.389 3.959 50 0 DHAARN O=S(=O)(c1ccc2ccccc2c1)N1CCc2ccccc21 ZINC000000459398 563258402 /nfs/dbraw/zinc/25/84/02/563258402.db2.gz YONYHAMSEDYZHT-UHFFFAOYSA-N 0 0 309.390 3.591 50 0 DHAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000000463439 563259225 /nfs/dbraw/zinc/25/92/25/563259225.db2.gz HRIJWNXBAUQKPN-UHFFFAOYSA-N 0 0 300.333 3.673 50 0 DHAARN CC(=O)Nc1ccc(OCc2cccc(Br)c2)cc1 ZINC000000471275 563260566 /nfs/dbraw/zinc/26/05/66/563260566.db2.gz OVSXSJARQOMQQW-UHFFFAOYSA-N 0 0 320.186 3.987 50 0 DHAARN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1C ZINC000000470268 563260675 /nfs/dbraw/zinc/26/06/75/563260675.db2.gz WATLNFAAWAUWSF-UHFFFAOYSA-N 0 0 305.761 3.680 50 0 DHAARN 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/nfs/dbraw/zinc/40/04/13/563400413.db2.gz WVTZUMDPDIQOIL-UHFFFAOYSA-N 0 0 313.382 3.921 50 0 DHAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)n1 ZINC000014304698 563400442 /nfs/dbraw/zinc/40/04/42/563400442.db2.gz CQEAGVFJSHEGQW-UHFFFAOYSA-N 0 0 313.744 3.951 50 0 DHAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2cccnc21 ZINC000014517363 563400967 /nfs/dbraw/zinc/40/09/67/563400967.db2.gz JUDVKOXMYOBOES-LBPRGKRZSA-N 0 0 310.328 3.780 50 0 DHAARN O=C(c1cc(-c2ccccc2F)on1)N1CCc2ccccc2C1 ZINC000032830215 563400982 /nfs/dbraw/zinc/40/09/82/563400982.db2.gz INHUVVNBYKOEPI-UHFFFAOYSA-N 0 0 322.339 3.679 50 0 DHAARN Nc1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000032830951 563401008 /nfs/dbraw/zinc/40/10/08/563401008.db2.gz CPGNWIYVJATNMI-UHFFFAOYSA-N 0 0 304.275 3.740 50 0 DHAARN O=C(Nc1ccccc1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000014567872 563401189 /nfs/dbraw/zinc/40/11/89/563401189.db2.gz OWXHRSGENSYVNU-UHFFFAOYSA-N 0 0 323.396 3.957 50 0 DHAARN CSc1ccc(C(=O)CCC(=O)Nc2cccc(C)n2)cc1 ZINC000032843903 563401500 /nfs/dbraw/zinc/40/15/00/563401500.db2.gz NQPHNLGJMQYTDY-UHFFFAOYSA-N 0 0 314.410 3.714 50 0 DHAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(F)cc(F)c1 ZINC000032842528 563401561 /nfs/dbraw/zinc/40/15/61/563401561.db2.gz BAFCHJXMJAXBLL-UHFFFAOYSA-N 0 0 321.371 3.615 50 0 DHAARN C[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000032863291 563403652 /nfs/dbraw/zinc/40/36/52/563403652.db2.gz ITWSQPXRHVCQDU-CJNGLKHVSA-N 0 0 324.852 3.939 50 0 DHAARN COc1ccc(CNC(=O)c2sc3ccccc3c2C)cn1 ZINC000032873817 563405578 /nfs/dbraw/zinc/40/55/78/563405578.db2.gz IFYDFQNKNBVIAR-UHFFFAOYSA-N 0 0 312.394 3.543 50 0 DHAARN C[C@]1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1(Cl)Cl ZINC000032894288 563409112 /nfs/dbraw/zinc/40/91/12/563409112.db2.gz QXPJKGBMPUBWKD-OAHLLOKOSA-N 0 0 323.223 3.637 50 0 DHAARN Cc1ccc(NCc2cc(=O)n3cc(C)ccc3n2)c(Cl)c1 ZINC000015291092 563409170 /nfs/dbraw/zinc/40/91/70/563409170.db2.gz FSQWJDOOCCMNSH-UHFFFAOYSA-N 0 0 313.788 3.577 50 0 DHAARN COc1ccc(C(=O)NCCCO[C@@H](C)c2ccccc2)cc1 ZINC000032907543 563410820 /nfs/dbraw/zinc/41/08/20/563410820.db2.gz BOODCENDSDRHGO-HNNXBMFYSA-N 0 0 313.397 3.593 50 0 DHAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2cccs2)c1 ZINC000032906968 563411054 /nfs/dbraw/zinc/41/10/54/563411054.db2.gz ZMUZJRSHQGJING-UHFFFAOYSA-N 0 0 316.426 3.914 50 0 DHAARN CCOc1ccc(Nc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000071928077 563411513 /nfs/dbraw/zinc/41/15/13/563411513.db2.gz BFOKQMBLEDUGOS-UHFFFAOYSA-N 0 0 311.341 3.888 50 0 DHAARN O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)no1 ZINC000032922762 563412662 /nfs/dbraw/zinc/41/26/62/563412662.db2.gz YEZHKJAPODIYIK-UHFFFAOYSA-N 0 0 300.264 3.872 50 0 DHAARN Cc1nc(C(C)C)sc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000032924010 563412755 /nfs/dbraw/zinc/41/27/55/563412755.db2.gz MJCLNNSXZAALHM-UHFFFAOYSA-N 0 0 304.371 3.556 50 0 DHAARN COc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2cccs2)c1 ZINC000032924147 563412797 /nfs/dbraw/zinc/41/27/97/563412797.db2.gz LBULHVGELWKPBA-OLZOCXBDSA-N 0 0 319.426 3.539 50 0 DHAARN O=C(NC1CCCCCC1)C1(c2ccccc2)CCOCC1 ZINC000016985170 563413004 /nfs/dbraw/zinc/41/30/04/563413004.db2.gz FURJXCOKFYMFBU-UHFFFAOYSA-N 0 0 301.430 3.574 50 0 DHAARN O=C(C[C@H]1C=CCC1)NCc1cccc(OCc2ccccn2)c1 ZINC000032930606 563413665 /nfs/dbraw/zinc/41/36/65/563413665.db2.gz QQCHUXABOFGVTO-INIZCTEOSA-N 0 0 322.408 3.633 50 0 DHAARN CCn1c2ccccc2nc1NC(=O)CSc1ccccc1 ZINC000010651068 563415385 /nfs/dbraw/zinc/41/53/85/563415385.db2.gz GYIYVJBCBCCHBG-UHFFFAOYSA-N 0 0 311.410 3.787 50 0 DHAARN Cc1nc(N2CCc3ccccc3C2)[nH]c(=O)c1CCC(C)C ZINC000018203871 563415533 /nfs/dbraw/zinc/41/55/33/563415533.db2.gz PGEWHDJMWOXAAJ-UHFFFAOYSA-N 0 0 311.429 3.642 50 0 aggregator,biogenic DHAARN O=C(NCc1ccc(-c2cc[nH]n2)cc1)Nc1ccccc1F ZINC000032937711 563415745 /nfs/dbraw/zinc/41/57/45/563415745.db2.gz JLXVEKYWFJFSLU-UHFFFAOYSA-N 0 0 310.332 3.538 50 0 DHAARN CCN(Cc1cccc(C)c1)Cn1ncn(C(C)C)c1=S ZINC000071966514 563416048 /nfs/dbraw/zinc/41/60/48/563416048.db2.gz KZXKXHPMDUSQLN-UHFFFAOYSA-N 0 0 304.463 3.783 50 0 DHAARN COc1ccccc1-c1nc(COC(=O)c2ccco2)cs1 ZINC000010669287 563416162 /nfs/dbraw/zinc/41/61/62/563416162.db2.gz IXOCVVOXHNIMIS-UHFFFAOYSA-N 0 0 315.350 3.769 50 0 DHAARN CC[C@]1(C)Oc2ccc(NC(=O)c3n[nH]c4ccccc43)cc2O1 ZINC000019625103 563416448 /nfs/dbraw/zinc/41/64/48/563416448.db2.gz FJLGXLATDAHTTG-GOSISDBHSA-N 0 0 323.352 3.713 50 0 DHAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC000020541346 563417603 /nfs/dbraw/zinc/41/76/03/563417603.db2.gz FQLSRGHQBWOKSO-HNNXBMFYSA-N 0 0 314.454 3.937 50 0 DHAARN COc1ccc(-c2nnc(SC3CCCC3)o2)cc1OC ZINC000072066513 563418282 /nfs/dbraw/zinc/41/82/82/563418282.db2.gz WSJQGNSMYZUHDC-UHFFFAOYSA-N 0 0 306.387 3.789 50 0 DHAARN C[C@H](Sc1ncccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000010861252 563418884 /nfs/dbraw/zinc/41/88/84/563418884.db2.gz GWRFJIBZOWEXBI-LBPRGKRZSA-N 0 0 315.442 3.893 50 0 DHAARN Cc1ccccc1OCC(=O)N[C@H](c1cccs1)C(C)C ZINC000010852302 563419303 /nfs/dbraw/zinc/41/93/03/563419303.db2.gz GHORBDBLNQBDQV-KRWDZBQOSA-N 0 0 303.427 3.949 50 0 DHAARN Cc1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1C ZINC000010900899 563419826 /nfs/dbraw/zinc/41/98/26/563419826.db2.gz SQUWXLCFQPKPHJ-UHFFFAOYSA-N 0 0 322.408 3.582 50 0 DHAARN CCC(=O)Nc1nc(-c2cc3cc(OC)ccc3o2)cs1 ZINC000010883091 563419862 /nfs/dbraw/zinc/41/98/62/563419862.db2.gz WNOXPQYGHKRJGR-UHFFFAOYSA-N 0 0 302.355 3.913 50 0 DHAARN COc1cccc(-c2nc(-c3cn(C)nc3C)cs2)c1OC ZINC000069920349 563420523 /nfs/dbraw/zinc/42/05/23/563420523.db2.gz VZLAZKYAZXUPGP-UHFFFAOYSA-N 0 0 315.398 3.536 50 0 DHAARN Cc1ccc(C)c([C@@H](C)NC(=O)CSc2ccncc2)c1 ZINC000025270212 563421901 /nfs/dbraw/zinc/42/19/01/563421901.db2.gz PQOHHGCYKJGOBS-CQSZACIVSA-N 0 0 300.427 3.668 50 0 DHAARN COc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000025312007 563421938 /nfs/dbraw/zinc/42/19/38/563421938.db2.gz XYZMJGMIIUVGER-KBPBESRZSA-N 0 0 303.308 3.716 50 0 DHAARN C[C@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccncc1 ZINC000025380244 563422538 /nfs/dbraw/zinc/42/25/38/563422538.db2.gz LRSVZCSCFISLDF-AWEZNQCLSA-N 0 0 319.364 3.760 50 0 DHAARN Fc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)cc1 ZINC000025360068 563423120 /nfs/dbraw/zinc/42/31/20/563423120.db2.gz ZRLCRJGNMTZALI-AWEZNQCLSA-N 0 0 313.332 3.806 50 0 DHAARN CC1(C)CCCN1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000072242448 563423494 /nfs/dbraw/zinc/42/34/94/563423494.db2.gz QGYDWYDKLZBTTI-UHFFFAOYSA-N 0 0 308.451 3.992 50 0 DHAARN O=C(CCc1ccc2c(c1)OCO2)Nc1cnc2ccccc2c1 ZINC000025533700 563423586 /nfs/dbraw/zinc/42/35/86/563423586.db2.gz XLXQLISVLLLLNJ-UHFFFAOYSA-N 0 0 320.348 3.535 50 0 DHAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccco2)on1 ZINC000025523949 563423686 /nfs/dbraw/zinc/42/36/86/563423686.db2.gz ZHCPBSJBKSVUED-UHFFFAOYSA-N 0 0 312.369 3.633 50 0 DHAARN C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)C1CC1 ZINC000025595444 563423902 /nfs/dbraw/zinc/42/39/02/563423902.db2.gz PBDDKOHGEMFWGQ-LLVKDONJSA-N 0 0 318.467 3.964 50 0 DHAARN c1nn(-c2ccccc2)cc1CN1CCSc2ccccc21 ZINC000025808071 563424179 /nfs/dbraw/zinc/42/41/79/563424179.db2.gz RQFCDWPRXIFUFA-UHFFFAOYSA-N 0 0 307.422 3.985 50 0 DHAARN COc1ccc([C@H]2CCCN2c2cnc3ccccc3n2)cc1 ZINC000026136077 563425184 /nfs/dbraw/zinc/42/51/84/563425184.db2.gz XTTOSUROBXSIKV-GOSISDBHSA-N 0 0 305.381 3.980 50 0 DHAARN Cc1noc(C)c1NC(=O)NC[C@@H](Nc1ccccc1)C(C)C ZINC000069967521 563426008 /nfs/dbraw/zinc/42/60/08/563426008.db2.gz KGWMGVRFAWORNS-OAHLLOKOSA-N 0 0 316.405 3.550 50 0 DHAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccoc2)cs1 ZINC000026884861 563426529 /nfs/dbraw/zinc/42/65/29/563426529.db2.gz VCVJBEZEXUFFML-UHFFFAOYSA-N 0 0 310.378 3.914 50 0 DHAARN C[C@@H](NC(=O)NCc1ccncc1)c1csc2ccccc21 ZINC000072268169 563427987 /nfs/dbraw/zinc/42/79/87/563427987.db2.gz ZSMHRDGSVALGKQ-GFCCVEGCSA-N 0 0 311.410 3.857 50 0 DHAARN COc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1C ZINC000027664364 563429310 /nfs/dbraw/zinc/42/93/10/563429310.db2.gz SUSFKJUQOLUWMC-UHFFFAOYSA-N 0 0 323.352 3.614 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000027910066 563429932 /nfs/dbraw/zinc/42/99/32/563429932.db2.gz MANJMVHCMBAXLP-SFHVURJKSA-N 0 0 320.392 3.690 50 0 DHAARN Nc1nc(-c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000027994384 563430834 /nfs/dbraw/zinc/43/08/34/563430834.db2.gz VRZLAPVQWDXXNF-UHFFFAOYSA-N 0 0 319.773 3.891 50 0 DHAARN Cc1ccc2[nH]c(SCc3noc(C(C)(C)C)n3)nc2c1 ZINC000028008548 563430965 /nfs/dbraw/zinc/43/09/65/563430965.db2.gz MYNYTJGDOIXEPY-UHFFFAOYSA-N 0 0 302.403 3.844 50 0 DHAARN COc1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 ZINC000028292179 563431428 /nfs/dbraw/zinc/43/14/28/563431428.db2.gz QGFJRLPUPYUTKP-UHFFFAOYSA-N 0 0 308.337 3.530 50 0 DHAARN Cc1noc([C@H](NC(=O)CCCc2ccc(C)cc2)C(C)C)n1 ZINC000072280785 563432834 /nfs/dbraw/zinc/43/28/34/563432834.db2.gz OGUPVMJGBBZGGH-QGZVFWFLSA-N 0 0 315.417 3.523 50 0 DHAARN C[C@@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccccn1 ZINC000028780161 563432983 /nfs/dbraw/zinc/43/29/83/563432983.db2.gz QPLWGYZUPXUCSR-VXGBXAGGSA-N 0 0 300.427 3.759 50 0 DHAARN Cc1nc(C(F)(F)F)ccc1C(=O)NC1CCCCCC1 ZINC000028999607 563433251 /nfs/dbraw/zinc/43/32/51/563433251.db2.gz XRUAZPNSDKCZSF-UHFFFAOYSA-N 0 0 300.324 3.861 50 0 DHAARN O=C(CCc1cccnc1)Nc1nnc(C2CCCCC2)s1 ZINC000029089014 563433854 /nfs/dbraw/zinc/43/38/54/563433854.db2.gz DOJKYBYZXRPDOT-UHFFFAOYSA-N 0 0 316.430 3.552 50 0 DHAARN C[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000000565858 563433905 /nfs/dbraw/zinc/43/39/05/563433905.db2.gz OXERADOXIARYHU-OAHLLOKOSA-N 0 0 309.409 3.822 50 0 DHAARN Cc1nc(C)c(C(=O)N(C)[C@@H]2CCCc3ccccc32)s1 ZINC000029259359 563433995 /nfs/dbraw/zinc/43/39/95/563433995.db2.gz SHRHDMNKGIHOMH-OAHLLOKOSA-N 0 0 300.427 3.910 50 0 DHAARN C[C@H]1CCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 ZINC000072292859 563437539 /nfs/dbraw/zinc/43/75/39/563437539.db2.gz KVEPKZOURQZPEW-SCLBCKFNSA-N 0 0 324.465 3.519 50 0 DHAARN Fc1ccc(-c2csc3ncnc(Nc4cn[nH]c4)c23)cc1 ZINC000030587613 563437544 /nfs/dbraw/zinc/43/75/44/563437544.db2.gz ROUAFQVRQVIMEP-UHFFFAOYSA-N 0 0 311.345 3.964 50 0 DHAARN O=C(Nc1nncs1)c1ccc(-c2cccs2)cc1F ZINC000030568204 563437600 /nfs/dbraw/zinc/43/76/00/563437600.db2.gz ZCSBNASNERMHHB-UHFFFAOYSA-N 0 0 305.359 3.658 50 0 DHAARN C[C@H](C(=O)N[C@H](c1ccccc1)C1CC1)n1cnc2ccccc21 ZINC000030603595 563437614 /nfs/dbraw/zinc/43/76/14/563437614.db2.gz MYYIVYQPSASZMM-AUUYWEPGSA-N 0 0 319.408 3.865 50 0 DHAARN CC(C)c1noc(CCC(=O)N[C@@H](c2cccs2)C(C)C)n1 ZINC000030677239 563437671 /nfs/dbraw/zinc/43/76/71/563437671.db2.gz AZOAISQICMGDQV-OAHLLOKOSA-N 0 0 321.446 3.701 50 0 DHAARN CN(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000030763278 563438046 /nfs/dbraw/zinc/43/80/46/563438046.db2.gz YRMNVCMBJRKRDW-LJQANCHMSA-N 0 0 308.425 3.600 50 0 DHAARN Brc1cncc(Br)c1N1CCCCC1 ZINC000032285425 563442431 /nfs/dbraw/zinc/44/24/31/563442431.db2.gz RDIICJNJPKTMGN-UHFFFAOYSA-N 0 0 320.028 3.597 50 0 DHAARN Cc1sc2ncn([C@H](C)Cc3ncccc3C)c(=O)c2c1C ZINC000032586962 563442623 /nfs/dbraw/zinc/44/26/23/563442623.db2.gz CSZZUDPLFDQWML-LLVKDONJSA-N 0 0 313.426 3.582 50 0 DHAARN Cc1cccc2c1C(=O)N[C@@H](c1ccc(-c3cccnc3)o1)N2 ZINC000072302523 563443308 /nfs/dbraw/zinc/44/33/08/563443308.db2.gz OZEPRYLWDBXERU-KRWDZBQOSA-N 0 0 305.337 3.504 50 0 DHAARN Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 ZINC000033088829 563445090 /nfs/dbraw/zinc/44/50/90/563445090.db2.gz YPJRRSQZWQYAAV-ZDUSSCGKSA-N 0 0 318.376 3.679 50 0 DHAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000033270139 563445094 /nfs/dbraw/zinc/44/50/94/563445094.db2.gz ZACHTCMSGKODOK-AWEZNQCLSA-N 0 0 302.349 3.662 50 0 DHAARN CCOc1cccc(C(=O)Nc2nnc(C3CCCC3)s2)c1 ZINC000000619903 563448354 /nfs/dbraw/zinc/44/83/54/563448354.db2.gz PKHFFVUSHFLJJX-UHFFFAOYSA-N 0 0 317.414 3.847 50 0 DHAARN Cc1nn(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(C)c1C ZINC000002833485 563448831 /nfs/dbraw/zinc/44/88/31/563448831.db2.gz KGYDMKCKNFYXGO-ZDUSSCGKSA-N 0 0 306.793 3.878 50 0 DHAARN Cc1ccccc1NC(=O)c1cc(N)ccc1N1CCCCC1 ZINC000004015252 563449483 /nfs/dbraw/zinc/44/94/83/563449483.db2.gz RJRZUYFYPOHOCB-UHFFFAOYSA-N 0 0 309.413 3.820 50 0 DHAARN Cc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccc(F)cc1F ZINC000034796522 563451291 /nfs/dbraw/zinc/45/12/91/563451291.db2.gz RRTUZBPXMJCGCZ-UHFFFAOYSA-N 0 0 319.336 3.977 50 0 DHAARN Cc1nc(-c2ccc(C(=O)Nc3cc(F)ccc3F)cc2)no1 ZINC000032971385 563454176 /nfs/dbraw/zinc/45/41/76/563454176.db2.gz KPXFNKHFBKPESI-UHFFFAOYSA-N 0 0 315.279 3.576 50 0 DHAARN Cc1nc(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)no1 ZINC000032971397 563454215 /nfs/dbraw/zinc/45/42/15/563454215.db2.gz WMFSURNQJNJILW-UHFFFAOYSA-N 0 0 307.353 3.914 50 0 DHAARN CC(=O)Nc1cc(C(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C)ccc1C ZINC000036015008 563454642 /nfs/dbraw/zinc/45/46/42/563454642.db2.gz QFBYVEDMPNEUNS-BFQNTYOBSA-N 0 0 302.418 3.508 50 0 DHAARN O=C1C[C@@H](c2ccccc2)c2ncn(-c3ccc(Cl)cc3)c2N1 ZINC000036366971 563454882 /nfs/dbraw/zinc/45/48/82/563454882.db2.gz FVMGIJPWOHLAGW-HNNXBMFYSA-N 0 0 323.783 4.000 50 0 DHAARN COc1ccc(Cl)c2sc(NCc3ccncc3)nc21 ZINC000036657580 563456945 /nfs/dbraw/zinc/45/69/45/563456945.db2.gz VRXVPFBAHUWHCP-UHFFFAOYSA-N 0 0 305.790 3.965 50 0 DHAARN CC[C@H](C)c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000071889949 563458914 /nfs/dbraw/zinc/45/89/14/563458914.db2.gz UXHISJHHQFRYQY-LBPRGKRZSA-N 0 0 304.365 3.819 50 0 DHAARN CCOCC(=O)NCc1ccc(-c2nc(C(C)C)cs2)cc1 ZINC000097938126 563460698 /nfs/dbraw/zinc/46/06/98/563460698.db2.gz JOPAHIBZIYESGH-UHFFFAOYSA-N 0 0 318.442 3.586 50 0 DHAARN CCN(Cc1ccccc1)C(=O)c1cn2cc(Cl)ccc2n1 ZINC000097939021 563460820 /nfs/dbraw/zinc/46/08/20/563460820.db2.gz GYMKDWPHZZOOIS-UHFFFAOYSA-N 0 0 313.788 3.650 50 0 DHAARN Cc1cc(Br)oc1C(=O)Nc1ccc(C)nc1C ZINC000119325577 563461829 /nfs/dbraw/zinc/46/18/29/563461829.db2.gz AEFMIJCWDWZFQT-UHFFFAOYSA-N 0 0 309.163 3.615 50 0 DHAARN COc1ccccc1CC(=O)N(C)[C@@H](C)c1sc(C)nc1C ZINC000071883173 563465312 /nfs/dbraw/zinc/46/53/12/563465312.db2.gz XDXHCGQLJOBFNQ-LBPRGKRZSA-N 0 0 318.442 3.531 50 0 DHAARN Cc1nc2ccc(C(=O)N3CC[C@H]3c3ccccc3)cc2nc1C ZINC000045854060 563465743 /nfs/dbraw/zinc/46/57/43/563465743.db2.gz IGBQGAUXUQKDGI-IBGZPJMESA-N 0 0 317.392 3.834 50 0 DHAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000047336535 563466241 /nfs/dbraw/zinc/46/62/41/563466241.db2.gz DNJMYYIJNCSGGT-CQSZACIVSA-N 0 0 315.373 3.669 50 0 DHAARN O=c1ccc(-c2ccccc2F)nn1Cc1ccc(Cl)cc1 ZINC000049550066 563467233 /nfs/dbraw/zinc/46/72/33/563467233.db2.gz FWADWHCTLCROTQ-UHFFFAOYSA-N 0 0 314.747 3.751 50 0 DHAARN CC(=O)N1CN(C2CCCC2)Cc2c3c(sc21)CCCC3 ZINC000049563740 563467623 /nfs/dbraw/zinc/46/76/23/563467623.db2.gz WUMMQUQWYKZUGP-UHFFFAOYSA-N 0 0 304.459 3.696 50 0 DHAARN COCC(=O)N(Cc1ccc(F)cc1)[C@H](C)c1ccccc1 ZINC000055108489 563471041 /nfs/dbraw/zinc/47/10/41/563471041.db2.gz OPZWRLLWCSJXTJ-CQSZACIVSA-N 0 0 301.361 3.562 50 0 DHAARN CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1cnn2ccccc12 ZINC000055072193 563471133 /nfs/dbraw/zinc/47/11/33/563471133.db2.gz ZYAOCOIFCHXMTD-CQSZACIVSA-N 0 0 311.385 3.614 50 0 DHAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)Cc2c[nH]c3ccccc23)c1 ZINC000055253630 563472608 /nfs/dbraw/zinc/47/26/08/563472608.db2.gz OOMOAZWULHAAKW-OAHLLOKOSA-N 0 0 321.424 3.503 50 0 DHAARN CCCCN(C/C=C/c1ccccc1)C(=O)c1ccc(C)[nH]c1=O ZINC000055245325 563472714 /nfs/dbraw/zinc/47/27/14/563472714.db2.gz NNUSKXJXXFWSHQ-DHZHZOJOSA-N 0 0 324.424 3.639 50 0 DHAARN CCc1ncc(C(=O)N(Cc2ccccc2Cl)C(C)C)cn1 ZINC000055244300 563472916 /nfs/dbraw/zinc/47/29/16/563472916.db2.gz UODATEZQDKBVKA-UHFFFAOYSA-N 0 0 317.820 3.743 50 0 DHAARN Cc1ccc(NC(C)C)c(C(=O)N(C)CCc2ccccn2)c1 ZINC000055327309 563474302 /nfs/dbraw/zinc/47/43/02/563474302.db2.gz GBERSIZRDHDDLL-UHFFFAOYSA-N 0 0 311.429 3.525 50 0 DHAARN Cc1ccsc1C[NH+]1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000055369283 563474563 /nfs/dbraw/zinc/47/45/63/563474563.db2.gz POBLFZYOZMFFCV-UHFFFAOYSA-N 0 0 318.490 3.684 50 0 DHAARN CCOc1ccccc1CN(CC)Cc1cccc2c1OCO2 ZINC000055387211 563475314 /nfs/dbraw/zinc/47/53/14/563475314.db2.gz BUYIJDBZHNTNGM-UHFFFAOYSA-N 0 0 313.397 3.836 50 0 DHAARN Fc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055543332 563476648 /nfs/dbraw/zinc/47/66/48/563476648.db2.gz IIQNKEKSEODNKE-UHFFFAOYSA-N 0 0 304.796 3.801 50 0 DHAARN Cc1occc1C(=O)N1CCC(Nc2ccccc2Cl)CC1 ZINC000058333136 563478397 /nfs/dbraw/zinc/47/83/97/563478397.db2.gz USVYZVDCWFGSMZ-UHFFFAOYSA-N 0 0 318.804 3.958 50 0 DHAARN Cc1noc2ncc(C(=O)N(C)C3CCCCCCC3)cc12 ZINC000058341945 563478408 /nfs/dbraw/zinc/47/84/08/563478408.db2.gz FIFUNYONTCHMIK-UHFFFAOYSA-N 0 0 301.390 3.716 50 0 DHAARN CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000011151131 563478751 /nfs/dbraw/zinc/47/87/51/563478751.db2.gz MLIVKNLPWGHWRM-UHFFFAOYSA-N 0 0 306.365 3.687 50 0 DHAARN O=C(Nc1cccc(N2CCCCCC2)c1)N1CCSCC1 ZINC000096420271 563481177 /nfs/dbraw/zinc/48/11/77/563481177.db2.gz ZLYYJKXXIVHPPM-UHFFFAOYSA-N 0 0 319.474 3.648 50 0 DHAARN O=C(NCc1coc(-c2ccccc2)n1)c1ccc2cc[nH]c2c1 ZINC000096423229 563481575 /nfs/dbraw/zinc/48/15/75/563481575.db2.gz QVWJZDAFEQJBGR-UHFFFAOYSA-N 0 0 317.348 3.753 50 0 DHAARN Cc1noc(C)c1NC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000096434396 563482097 /nfs/dbraw/zinc/48/20/97/563482097.db2.gz BAVYLZYTZJUDFX-VIFPVBQESA-N 0 0 323.780 3.534 50 0 DHAARN CCc1cccc(N(C#N)Cc2csc([C@H](C)OC)n2)c1 ZINC000096466040 563483445 /nfs/dbraw/zinc/48/34/45/563483445.db2.gz LXKJAEIRVRSNGZ-LBPRGKRZSA-N 0 0 301.415 3.901 50 0 DHAARN CN(Cc1ccc(O)cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000096461700 563483480 /nfs/dbraw/zinc/48/34/80/563483480.db2.gz ROXWPWZUYOQYLK-UHFFFAOYSA-N 0 0 319.351 3.652 50 0 DHAARN CN(c1nc(CSc2nnc(C(C)(C)C)o2)cs1)C1CC1 ZINC000096469058 563483630 /nfs/dbraw/zinc/48/36/30/563483630.db2.gz FRRKNCQVOAPLCT-UHFFFAOYSA-N 0 0 324.475 3.715 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccccc2F)C[C@@H](c2ccsc2)O1 ZINC000096469333 563483719 /nfs/dbraw/zinc/48/37/19/563483719.db2.gz CZFQUCIKKUKQBR-ABAIWWIYSA-N 0 0 320.389 3.881 50 0 DHAARN Cc1nnc(CSCc2cc(-c3ccc(C)cc3)no2)o1 ZINC000096467788 563483727 /nfs/dbraw/zinc/48/37/27/563483727.db2.gz MAOPUVBYXIFJMP-UHFFFAOYSA-N 0 0 301.371 3.775 50 0 DHAARN C[C@H]1CN(C(=O)Nc2ccccc2F)C[C@@H](c2ccsc2)O1 ZINC000096469336 563483916 /nfs/dbraw/zinc/48/39/16/563483916.db2.gz CZFQUCIKKUKQBR-NHYWBVRUSA-N 0 0 320.389 3.881 50 0 DHAARN O=[S@](Cc1csc(-c2ccccn2)n1)c1cccs1 ZINC000096482606 563484180 /nfs/dbraw/zinc/48/41/80/563484180.db2.gz ZYNFAICVABSREP-IBGZPJMESA-N 0 0 306.437 3.574 50 0 DHAARN O=C(Cc1cccc(O)c1)N(CCC(F)(F)F)C1CCCC1 ZINC000096475424 563484789 /nfs/dbraw/zinc/48/47/89/563484789.db2.gz QNBCLURSZBAMDX-UHFFFAOYSA-N 0 0 315.335 3.658 50 0 DHAARN Cc1cnc(CNC2(c3ccccc3Br)CC2)o1 ZINC000096492251 563485421 /nfs/dbraw/zinc/48/54/21/563485421.db2.gz ZILQJYKQRIXPBE-UHFFFAOYSA-N 0 0 307.191 3.524 50 0 DHAARN C[C@H](NCc1nnc(C2CC2)o1)c1ccc(-c2ccncc2)cc1 ZINC000096492189 563485636 /nfs/dbraw/zinc/48/56/36/563485636.db2.gz CLFCOGNFWACTTR-ZDUSSCGKSA-N 0 0 320.396 3.860 50 0 DHAARN CCOc1ccc(CN2CCC[C@@H]2c2cc(C)no2)cc1OC ZINC000064666907 563486444 /nfs/dbraw/zinc/48/64/44/563486444.db2.gz FHENGSCZZLJUFT-OAHLLOKOSA-N 0 0 316.401 3.727 50 0 DHAARN CCn1c2cnccc2nc(NCc2ccc(C(C)C)cc2)c1=O ZINC000097945094 563486595 /nfs/dbraw/zinc/48/65/95/563486595.db2.gz XJCJRAWRACMLSG-UHFFFAOYSA-N 0 0 322.412 3.547 50 0 DHAARN CC[C@@H](Nc1cc(N2CCCCC2)ncn1)c1ncccc1C ZINC000065406698 563486876 /nfs/dbraw/zinc/48/68/76/563486876.db2.gz BKHZIGLLQGFSGH-OAHLLOKOSA-N 0 0 311.433 3.734 50 0 DHAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2OC)on1 ZINC000064985088 563486949 /nfs/dbraw/zinc/48/69/49/563486949.db2.gz KOSMVTKSEFKMCJ-AWEZNQCLSA-N 0 0 315.373 3.615 50 0 DHAARN Cc1ccc(NCc2cccnc2Oc2ccccc2C)nn1 ZINC000067690500 563488745 /nfs/dbraw/zinc/48/87/45/563488745.db2.gz JHPRNHNOHRTLOF-UHFFFAOYSA-N 0 0 306.369 3.893 50 0 DHAARN CC(C)Cc1ncc2c(n1)CN(C(=O)c1sccc1Cl)C2 ZINC000067672910 563488885 /nfs/dbraw/zinc/48/88/85/563488885.db2.gz NCBGJMRIDZHEJN-UHFFFAOYSA-N 0 0 321.833 3.546 50 0 DHAARN CC(C)[C@@H](C)N(C)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000067726845 563489420 /nfs/dbraw/zinc/48/94/20/563489420.db2.gz LWBUJODMUWYEGE-GFCCVEGCSA-N 0 0 320.364 3.509 50 0 DHAARN CCn1nc(C(C)C)cc1C(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000067714102 563489874 /nfs/dbraw/zinc/48/98/74/563489874.db2.gz QIFNCBSLJVQNTQ-MRXNPFEDSA-N 0 0 315.392 3.753 50 0 DHAARN Cc1cnccc1CN(C)Cc1nc2ccccc2n1C(C)C ZINC000067754539 563490639 /nfs/dbraw/zinc/49/06/39/563490639.db2.gz UPWSQSJXJCVQPJ-UHFFFAOYSA-N 0 0 308.429 3.953 50 0 DHAARN C[C@H](Cc1ccccn1)N(C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000067867990 563492452 /nfs/dbraw/zinc/49/24/52/563492452.db2.gz MCVHRBXHKRRSCW-OAHLLOKOSA-N 0 0 319.408 3.780 50 0 DHAARN COc1cccc(OC)c1-c1nccn1CCNc1ccccc1 ZINC000067867458 563492546 /nfs/dbraw/zinc/49/25/46/563492546.db2.gz NIQLFXDTIMSJOK-UHFFFAOYSA-N 0 0 323.396 3.679 50 0 DHAARN CCc1ccccc1CN1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000067921004 563493555 /nfs/dbraw/zinc/49/35/55/563493555.db2.gz ALDDRNGBFNIUHT-HXUWFJFHSA-N 0 0 318.424 3.515 50 0 DHAARN CC(=O)Nc1ccc(-c2nccn2CCc2cccc(F)c2)cc1 ZINC000067880558 563493595 /nfs/dbraw/zinc/49/35/95/563493595.db2.gz MTPQJVMGCPOUJI-UHFFFAOYSA-N 0 0 323.371 3.890 50 0 DHAARN C/C(=C\c1ccccc1)[C@H]1CC(=O)Nc2c1nc1n2CCCC1 ZINC000067965230 563493925 /nfs/dbraw/zinc/49/39/25/563493925.db2.gz HADCTWHQPJNKPF-HFBDAHEESA-N 0 0 307.397 3.749 50 0 DHAARN Cc1cc(Cl)ccc1OCC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000067946834 563494235 /nfs/dbraw/zinc/49/42/35/563494235.db2.gz ZKWXVPKTIALXSR-ZDUSSCGKSA-N 0 0 318.804 3.642 50 0 DHAARN Cc1cc(-c2csc(NC(=O)c3cccnc3)n2)ccc1F ZINC000002543496 563495043 /nfs/dbraw/zinc/49/50/43/563495043.db2.gz CSZJCRSDGJGYPV-UHFFFAOYSA-N 0 0 313.357 3.905 50 0 DHAARN Fc1ccc([C@H]2c3[nH]cnc3CCN2CC2CC2)c(Cl)c1 ZINC000067983131 563495078 /nfs/dbraw/zinc/49/50/78/563495078.db2.gz FNTBGWVLEQZMFL-INIZCTEOSA-N 0 0 305.784 3.560 50 0 DHAARN O=C(c1ccc[nH]1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000071416259 563499625 /nfs/dbraw/zinc/49/96/25/563499625.db2.gz JYVJIODVSLTJNO-ZDUSSCGKSA-N 0 0 318.367 3.778 50 0 DHAARN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cnn(C(C)C)c2)c1C ZINC000071439789 563499694 /nfs/dbraw/zinc/49/96/94/563499694.db2.gz YEAUAAUAPOEKSE-UHFFFAOYSA-N 0 0 324.428 3.801 50 0 DHAARN CCc1ocnc1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000071638984 563500334 /nfs/dbraw/zinc/50/03/34/563500334.db2.gz ZOQZGUPSOGWFCD-UHFFFAOYSA-N 0 0 323.396 3.527 50 0 DHAARN C[C@@H](Cc1cccs1)NC(=O)c1cc(-c2ccccc2)on1 ZINC000033205401 563500620 /nfs/dbraw/zinc/50/06/20/563500620.db2.gz INNQVVOEAYJNBV-LBPRGKRZSA-N 0 0 312.394 3.764 50 0 DHAARN CCCN(CCC)C(=O)c1noc2c1COc1ccc(C)cc1-2 ZINC000033249157 563501627 /nfs/dbraw/zinc/50/16/27/563501627.db2.gz DPOYJDUSUSTBPK-UHFFFAOYSA-N 0 0 314.385 3.805 50 0 DHAARN CCc1nc(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)no1 ZINC000033254264 563501910 /nfs/dbraw/zinc/50/19/10/563501910.db2.gz PYWKHICDPGVBQE-UHFFFAOYSA-N 0 0 321.380 3.537 50 0 DHAARN C[C@@H]1CN(C(=O)/C=C/c2cccc(Cl)c2Cl)[C@@H](C)CO1 ZINC000036395333 563503301 /nfs/dbraw/zinc/50/33/01/563503301.db2.gz KPDZZCIWAPVQEJ-FQLSZKSXSA-N 0 0 314.212 3.642 50 0 DHAARN CN(C)c1ccc(CCCNC(=O)/C=C/c2cccs2)cc1 ZINC000036395179 563503609 /nfs/dbraw/zinc/50/36/09/563503609.db2.gz ZZWUBDGQUATMQD-VAWYXSNFSA-N 0 0 314.454 3.576 50 0 DHAARN Cc1nc(C2CC[NH+](C(C)C)CC2)sc1Br ZINC000072343528 563503700 /nfs/dbraw/zinc/50/37/00/563503700.db2.gz FZQTUJIJNLAQSV-UHFFFAOYSA-N 0 0 303.269 3.802 50 0 DHAARN O=C(OCc1cncs1)c1ccc(Oc2cccnc2)cc1 ZINC000097050208 563504061 /nfs/dbraw/zinc/50/40/61/563504061.db2.gz FBFHFHPUQVTKDP-UHFFFAOYSA-N 0 0 312.350 3.687 50 0 DHAARN COc1cc(C)ccc1NC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000097045860 563504376 /nfs/dbraw/zinc/50/43/76/563504376.db2.gz JKXCEAJKPMAVEN-UHFFFAOYSA-N 0 0 318.461 3.843 50 0 DHAARN COC(=O)CCCC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000097080086 563504871 /nfs/dbraw/zinc/50/48/71/563504871.db2.gz XEIHHNYGPJMKKK-UHFFFAOYSA-N 0 0 323.392 3.539 50 0 DHAARN O=C(Cc1ccccc1)c1ccccc1C(=O)N1CCCCC1 ZINC000000031596 563505205 /nfs/dbraw/zinc/50/52/05/563505205.db2.gz GTZQHATUPRUOGY-UHFFFAOYSA-N 0 0 307.393 3.738 50 0 DHAARN C[C@H](C(=O)N(Cc1ccccn1)c1ccncc1)c1ccccc1 ZINC000097100918 563505865 /nfs/dbraw/zinc/50/58/65/563505865.db2.gz OKTLOGAPQMDXFM-INIZCTEOSA-N 0 0 317.392 3.814 50 0 DHAARN COc1ccc2oc([C@H](C)N[C@@H](C)c3nnc(C)o3)c(C)c2c1 ZINC000097112130 563506047 /nfs/dbraw/zinc/50/60/47/563506047.db2.gz WNFWQFFAZCZHGY-QWRGUYRKSA-N 0 0 315.373 3.853 50 0 DHAARN CC(C)c1nnc(NC(=O)c2cc(Cl)c(Cl)[nH]2)s1 ZINC000097101192 563506367 /nfs/dbraw/zinc/50/63/67/563506367.db2.gz FFCWYLNBZOXJLQ-UHFFFAOYSA-N 0 0 305.190 3.549 50 0 DHAARN Cc1noc(C)c1CCNC(=O)Nc1c(C)cccc1Cl ZINC000097161894 563507338 /nfs/dbraw/zinc/50/73/38/563507338.db2.gz XGBDWMZBUHRVHA-UHFFFAOYSA-N 0 0 307.781 3.617 50 0 DHAARN CCc1cc([C@@H](C)n2ccnc2-c2ccc(NC(C)=O)cc2)on1 ZINC000077287810 563508160 /nfs/dbraw/zinc/50/81/60/563508160.db2.gz VRINPKJHGJYQEP-GFCCVEGCSA-N 0 0 324.384 3.668 50 0 DHAARN O=C(CCCc1cn[nH]c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077376336 563509325 /nfs/dbraw/zinc/50/93/25/563509325.db2.gz HWZFSRMTLRFPLV-QGZVFWFLSA-N 0 0 315.392 3.625 50 0 DHAARN COc1cccc([C@@H]2CCCN2C(=O)Cc2ccsc2)c1 ZINC000077393806 563510040 /nfs/dbraw/zinc/51/00/40/563510040.db2.gz JFTNLBMKYVZYMK-INIZCTEOSA-N 0 0 301.411 3.663 50 0 DHAARN COc1cccc([C@@H]2CCCCN2C(=O)CCc2ccccn2)c1 ZINC000077487802 563510703 /nfs/dbraw/zinc/51/07/03/563510703.db2.gz KVUOEHNHXZJXAE-IBGZPJMESA-N 0 0 324.424 3.777 50 0 DHAARN COc1cccc([C@H]2CCCCN2C(=O)CCc2ccccn2)c1 ZINC000077487804 563510803 /nfs/dbraw/zinc/51/08/03/563510803.db2.gz KVUOEHNHXZJXAE-LJQANCHMSA-N 0 0 324.424 3.777 50 0 DHAARN Clc1ccc2nccc(N3CCC[C@H](c4ncc[nH]4)C3)c2c1 ZINC000077503920 563511021 /nfs/dbraw/zinc/51/10/21/563511021.db2.gz PXXMMJHGVZZEAQ-LBPRGKRZSA-N 0 0 312.804 3.995 50 0 DHAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077459891 563511066 /nfs/dbraw/zinc/51/10/66/563511066.db2.gz ZEQGTKYDGJDMEM-CQSZACIVSA-N 0 0 323.396 3.793 50 0 DHAARN O=C(Nc1ccc2c(c1)NCCC2)c1coc(Br)c1 ZINC000097228966 563513690 /nfs/dbraw/zinc/51/36/90/563513690.db2.gz PXIUXWKQZLSDQW-UHFFFAOYSA-N 0 0 321.174 3.653 50 0 DHAARN CCN(C(=O)c1csnc1C)[C@H](c1cccnc1)C(C)C ZINC000097237493 563513998 /nfs/dbraw/zinc/51/39/98/563513998.db2.gz ZGVMCUBDOOAIKN-HNNXBMFYSA-N 0 0 303.431 3.706 50 0 DHAARN Cc1cc([C@H](C)NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)o1 ZINC000097234623 563514508 /nfs/dbraw/zinc/51/45/08/563514508.db2.gz TXRXNWVZIAYZPT-BLLLJJGKSA-N 0 0 316.405 3.617 50 0 DHAARN c1nc2cnccn2c1CNc1cccc(Oc2ccccn2)c1 ZINC000097235419 563514765 /nfs/dbraw/zinc/51/47/65/563514765.db2.gz SIDDCPHDSASHCR-UHFFFAOYSA-N 0 0 317.352 3.529 50 0 DHAARN CCCCc1nnc2sc(/C=C\c3ccc(OC)cc3)nn12 ZINC000098028039 563516222 /nfs/dbraw/zinc/51/62/22/563516222.db2.gz MVRRKQDWAOILKG-FLIBITNWSA-N 0 0 314.414 3.707 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cccc(F)c2)on1 ZINC000033270025 563517695 /nfs/dbraw/zinc/51/76/95/563517695.db2.gz VIKFFPXLFZMUOL-HNNXBMFYSA-N 0 0 302.349 3.914 50 0 DHAARN O=C1C[C@@H](c2ccc3c(c2)OCCCO3)Oc2ccc(F)cc21 ZINC000000064414 563517730 /nfs/dbraw/zinc/51/77/30/563517730.db2.gz CJUMOVMNDPOMAY-KRWDZBQOSA-N 0 0 314.312 3.694 50 0 DHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)on1 ZINC000033270073 563517936 /nfs/dbraw/zinc/51/79/36/563517936.db2.gz VQUJLKXKKQZWHE-INIZCTEOSA-N 0 0 316.376 3.843 50 0 DHAARN Cc1cccc(CNC(=O)c2ccc(-c3cccnc3)cc2)c1 ZINC000033282209 563518376 /nfs/dbraw/zinc/51/83/76/563518376.db2.gz HNGALMVPNLRYMF-UHFFFAOYSA-N 0 0 302.377 3.987 50 0 DHAARN c1csc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000082087503 563518560 /nfs/dbraw/zinc/51/85/60/563518560.db2.gz YIQSBYCPSKIUNH-INIZCTEOSA-N 0 0 324.453 3.772 50 0 DHAARN Cc1nc(C[S@@](=O)Cc2ccc(F)cc2Cl)oc1C ZINC000097083583 563519172 /nfs/dbraw/zinc/51/91/72/563519172.db2.gz KWQFLCHJWMWPRM-LJQANCHMSA-N 0 0 301.770 3.533 50 0 DHAARN Cc1nc(SCc2ccc(C(N)=O)cc2)n(CC(C)C)c1C ZINC000011306611 563519241 /nfs/dbraw/zinc/51/92/41/563519241.db2.gz HETBHTLELOPRKL-UHFFFAOYSA-N 0 0 317.458 3.547 50 0 DHAARN CCOc1cccc2c1OCC(=O)N(c1cccc(C)c1C)C2 ZINC000033312190 563519776 /nfs/dbraw/zinc/51/97/76/563519776.db2.gz CFNBVYPEPBFOEM-UHFFFAOYSA-N 0 0 311.381 3.628 50 0 DHAARN COCCC[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000085533985 563521130 /nfs/dbraw/zinc/52/11/30/563521130.db2.gz RWRHLEZJRVGZRJ-MRXNPFEDSA-N 0 0 323.864 3.938 50 0 DHAARN O=C(/C=C/c1ccco1)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146831 563521174 /nfs/dbraw/zinc/52/11/74/563521174.db2.gz WSYVRAVZWYOVHG-NPQIQWPPSA-N 0 0 313.378 3.896 50 0 DHAARN Cc1cccc(C(=O)c2ccccc2CN2CCSCC2)c1 ZINC000085651624 563521447 /nfs/dbraw/zinc/52/14/47/563521447.db2.gz VCSDPLCDKAUFIQ-UHFFFAOYSA-N 0 0 311.450 3.775 50 0 DHAARN O=C(C[C@@H]1C=CCC1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011361228 563522540 /nfs/dbraw/zinc/52/25/40/563522540.db2.gz PMFOLQLPTWZHFR-CYBMUJFWSA-N 0 0 310.353 3.827 50 0 DHAARN Cc1ccccc1Cc1nnc(NC(=O)Cc2ccccc2)s1 ZINC000098086584 563523889 /nfs/dbraw/zinc/52/38/89/563523889.db2.gz GIQUPXMWVBYGKL-UHFFFAOYSA-N 0 0 323.421 3.619 50 0 DHAARN Cc1ccccc1Cc1nnc(NC(=O)c2ccccc2)s1 ZINC000098086586 563524001 /nfs/dbraw/zinc/52/40/01/563524001.db2.gz NYKOKZNKEHGKPO-UHFFFAOYSA-N 0 0 309.394 3.690 50 0 DHAARN C[C@@H]1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)[C@@H]1C ZINC000000106098 563524633 /nfs/dbraw/zinc/52/46/33/563524633.db2.gz BQFAPGKABHKJDF-ZIAGYGMSSA-N 0 0 317.392 3.945 50 0 DHAARN Cc1ccc(NC(=O)N(C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000072289146 563526766 /nfs/dbraw/zinc/52/67/66/563526766.db2.gz OSOHUDPRXCEJLB-SFHVURJKSA-N 0 0 310.397 3.725 50 0 DHAARN O=C(Cc1ccc(O)cc1)Nc1ccccc1NCC(F)(F)F ZINC000133392108 563527608 /nfs/dbraw/zinc/52/76/08/563527608.db2.gz IYIWAGQGCUCRCW-UHFFFAOYSA-N 0 0 324.302 3.548 50 0 DHAARN CC[C@@H]1C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(F)cc1 ZINC000000089817 563527747 /nfs/dbraw/zinc/52/77/47/563527747.db2.gz GXIPECVEQGBITQ-GJZGRUSLSA-N 0 0 304.361 3.969 50 0 DHAARN FC(F)(F)c1ccc(N2CCSC2)cc1Br ZINC000095081151 563528121 /nfs/dbraw/zinc/52/81/21/563528121.db2.gz BISQGGAIXRFUSN-UHFFFAOYSA-N 0 0 312.154 3.979 50 0 DHAARN Cc1cccc2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)n(C)c21 ZINC000095384831 563529828 /nfs/dbraw/zinc/52/98/28/563529828.db2.gz JNGNKERGWDUMTK-DLBZAZTESA-N 0 0 304.393 3.773 50 0 DHAARN Cc1cc(Cl)nc(Cl)c1C(=O)N(C)Cc1ccccc1 ZINC000000095141 563531585 /nfs/dbraw/zinc/53/15/85/563531585.db2.gz BZEGVTCFWGSIKM-UHFFFAOYSA-N 0 0 309.196 3.969 50 0 DHAARN CC[C@H]1C=CCN1C(=O)Nc1ccc(Cn2nc(C)cc2C)cc1 ZINC000096150406 563533963 /nfs/dbraw/zinc/53/39/63/563533963.db2.gz GJUXLRKREZUEPF-SFHVURJKSA-N 0 0 324.428 3.731 50 0 DHAARN CCCn1nc(C2CC2)nc1-c1c[nH]nc1-c1cccc(OC)c1 ZINC000096149895 563533977 /nfs/dbraw/zinc/53/39/77/563533977.db2.gz MCVJUNRSEQNGBJ-UHFFFAOYSA-N 0 0 323.400 3.631 50 0 DHAARN CCc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000096318725 563536431 /nfs/dbraw/zinc/53/64/31/563536431.db2.gz PVOWFTNQDWKDGU-UHFFFAOYSA-N 0 0 323.440 3.912 50 0 DHAARN COCC(C)(C)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000097711732 563541886 /nfs/dbraw/zinc/54/18/86/563541886.db2.gz AFSQEHGIMLREQI-SNVBAGLBSA-N 0 0 303.324 3.555 50 0 DHAARN CO[C@@H](C)c1cccc(-c2ncccc2C(=O)N2CCCC2)c1 ZINC000097681678 563541055 /nfs/dbraw/zinc/54/10/55/563541055.db2.gz WDQRXAGOKSTYFX-AWEZNQCLSA-N 0 0 310.397 3.692 50 0 DHAARN CCc1nc(C)c(C(=O)N2CC[C@@H]2c2cccc(OC)c2)s1 ZINC000097732870 563541596 /nfs/dbraw/zinc/54/15/96/563541596.db2.gz YERYULVQPXPOTF-CQSZACIVSA-N 0 0 316.426 3.610 50 0 DHAARN S=C(/N=c1\ccccn1Cc1ccccc1)Nc1ccccc1 ZINC000100019084 563544900 /nfs/dbraw/zinc/54/49/00/563544900.db2.gz FRGZFLIXLHPZII-DYTRJAOYSA-N 0 0 319.433 3.834 50 0 DHAARN Cc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000100142738 563546528 /nfs/dbraw/zinc/54/65/28/563546528.db2.gz PQEWMFZJENXMQW-XNTDXEJSSA-N 0 0 312.756 3.905 50 0 DHAARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)CC(c1ccccc1)=N2 ZINC000100136851 563546535 /nfs/dbraw/zinc/54/65/35/563546535.db2.gz XEOKFYQBIXLWPZ-QGZVFWFLSA-N 0 0 324.334 3.921 50 0 DHAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000100744475 563553342 /nfs/dbraw/zinc/55/33/42/563553342.db2.gz ASDQMGPJYCIRJK-FBIMIBRVSA-N 0 0 312.196 3.919 50 0 DHAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2C1 ZINC000100937374 563554690 /nfs/dbraw/zinc/55/46/90/563554690.db2.gz BMKKJOCEEVKJAN-RYUDHWBXSA-N 0 0 323.314 3.941 50 0 DHAARN c1ccc2c(c1)ccc1c2[C@@H]2N[C@H](c3cccnc3)OC[C@@H]2CO1 ZINC000102430137 563559285 /nfs/dbraw/zinc/55/92/85/563559285.db2.gz CVTVSDQCGJDMLX-BEVDRBHNSA-N 0 0 318.376 3.603 50 0 DHAARN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C(F)F)cc1 ZINC000000101782 563565568 /nfs/dbraw/zinc/56/55/68/563565568.db2.gz HZVMSTXDNSXVCQ-UHFFFAOYSA-N 0 0 315.316 3.552 50 0 DHAARN Cc1cc(N2CCCCCC2)n2nc(-c3ccccc3C)nc2n1 ZINC000014610479 563568360 /nfs/dbraw/zinc/56/83/60/563568360.db2.gz QZFVBJHWGWTSQL-UHFFFAOYSA-N 0 0 321.428 3.789 50 0 DHAARN CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C)cc1 ZINC000000131874 563572059 /nfs/dbraw/zinc/57/20/59/563572059.db2.gz GEDXWDFQCGRFQB-OUKQBFOZSA-N 0 0 323.392 3.753 50 0 DHAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1F ZINC000000176582 563575105 /nfs/dbraw/zinc/57/51/05/563575105.db2.gz ORRWKEQRTFYKDK-ZROIWOOFSA-N 0 0 301.704 3.824 50 0 DHAARN COc1ccc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cc1 ZINC000000177172 563575258 /nfs/dbraw/zinc/57/52/58/563575258.db2.gz MCGHHMRPHQCBFB-GZTJUZNOSA-N 0 0 307.349 3.657 50 0 DHAARN C[C@H](Nc1ccc(NC(=O)c2cnn(C)c2)cc1)c1ccccc1 ZINC000050005600 563576295 /nfs/dbraw/zinc/57/62/95/563576295.db2.gz MCFVJPCMLLIYCL-AWEZNQCLSA-N 0 0 320.396 3.846 50 0 DHAARN CN1C(=O)c2c3c(sc2N[C@H]1c1ccc(O)cc1)CCCC3 ZINC000000213276 563578513 /nfs/dbraw/zinc/57/85/13/563578513.db2.gz QIIFGBCQKDXNQK-OAHLLOKOSA-N 0 0 314.410 3.529 50 0 DHAARN CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000000214013 563578741 /nfs/dbraw/zinc/57/87/41/563578741.db2.gz KDKHIVGJMKGORR-UHFFFAOYSA-N 0 0 307.378 3.589 50 0 DHAARN Fc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 ZINC000000221832 563579230 /nfs/dbraw/zinc/57/92/30/563579230.db2.gz JCBBNHRCHPMKOX-QWHCGFSZSA-N 0 0 300.362 3.625 50 0 DHAARN Fc1ccccc1[C@@H]1C[C@H](c2cccs2)Nc2ncnn21 ZINC000000221831 563579313 /nfs/dbraw/zinc/57/93/13/563579313.db2.gz IBZIVOPVAKSJKU-OLZOCXBDSA-N 0 0 300.362 3.625 50 0 DHAARN CCc1nc2ccc(C(=O)NC3CCCCC3)cc2nc1CC ZINC000000217430 563579355 /nfs/dbraw/zinc/57/93/55/563579355.db2.gz QGHCSRIVZPDFES-UHFFFAOYSA-N 0 0 311.429 3.817 50 0 DHAARN Cc1ccc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1F ZINC000078698716 563580654 /nfs/dbraw/zinc/58/06/54/563580654.db2.gz IQDXGZBFUOTCMM-MRXNPFEDSA-N 0 0 317.360 3.549 50 0 DHAARN CCCc1nc2ccccc2n1C[C@@H](O)COC1CCCCC1 ZINC000000243041 563580947 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Cc1ccc(C(=O)Nc2ccn(Cc3ccccc3Cl)n2)o1 ZINC000001002192 563786831 /nfs/dbraw/zinc/78/68/31/563786831.db2.gz JYJSPNWJBHGSSF-UHFFFAOYSA-N 0 0 315.760 3.739 50 0 DHAARN Cn1cc(Nc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000052487394 563788162 /nfs/dbraw/zinc/78/81/62/563788162.db2.gz VNXIMRWVRREBHG-UHFFFAOYSA-N 0 0 307.382 3.835 50 0 DHAARN Cn1cc(Nc2nc(-c3ccsc3)nc3ccccc32)cn1 ZINC000052487487 563788181 /nfs/dbraw/zinc/78/81/81/563788181.db2.gz TZIGCDBOWDYENB-UHFFFAOYSA-N 0 0 307.382 3.835 50 0 DHAARN Cc1nn(-c2ccccc2)cc1NC(=O)c1cccc2cc[nH]c21 ZINC000182626525 563794041 /nfs/dbraw/zinc/79/40/41/563794041.db2.gz RALOVAHCWBWIFF-UHFFFAOYSA-N 0 0 316.364 3.914 50 0 DHAARN Fc1cc(Br)cc(Br)c1OC(F)F ZINC000263622723 563794650 /nfs/dbraw/zinc/79/46/50/563794650.db2.gz AHDZUMQSFPIZLM-UHFFFAOYSA-N 0 0 319.902 3.952 50 0 DHAARN COc1cccc([C@@H]2CCCN2C(=O)c2cccc3cn[nH]c32)c1 ZINC000025610311 563795315 /nfs/dbraw/zinc/79/53/15/563795315.db2.gz SYECUTJHORGUGF-KRWDZBQOSA-N 0 0 321.380 3.549 50 0 DHAARN Cc1cc(C)c2c(c1)oc(-c1ccccc1)c/c2=N\C[C@H](C)O ZINC000001892291 563797072 /nfs/dbraw/zinc/79/70/72/563797072.db2.gz VRKRUUVCLPQTQW-OSGFXRFRSA-N 0 0 307.393 3.998 50 0 DHAARN C[C@H](Sc1nccn1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000012538999 563798830 /nfs/dbraw/zinc/79/88/30/563798830.db2.gz CYGCKLVKPVTHNW-VIFPVBQESA-N 0 0 323.368 3.616 50 0 DHAARN Cn1c2ccccc2nc1SCC(=O)c1ccc(F)c(F)c1 ZINC000012537505 563798835 /nfs/dbraw/zinc/79/88/35/563798835.db2.gz NQTOMVIXCCDFQC-UHFFFAOYSA-N 0 0 318.348 3.827 50 0 DHAARN O=C(NCc1ccccn1)c1ccccc1Nc1ccccc1 ZINC000012538246 563798869 /nfs/dbraw/zinc/79/88/69/563798869.db2.gz LSYOTNHPAHBDCO-UHFFFAOYSA-N 0 0 303.365 3.755 50 0 DHAARN Cc1cc2nnc(SCC(=O)c3ccco3)n2c2ccccc12 ZINC000003271532 563800631 /nfs/dbraw/zinc/80/06/31/563800631.db2.gz PJZOKWPVNGGULC-UHFFFAOYSA-N 0 0 323.377 3.759 50 0 DHAARN CCc1ccc(-c2noc(CN3CCc4ccccc43)n2)cc1 ZINC000012555311 563800851 /nfs/dbraw/zinc/80/08/51/563800851.db2.gz AJSPBBVARQLNNN-UHFFFAOYSA-N 0 0 305.381 3.862 50 0 DHAARN CCOCc1c2ccccc2oc1C(=O)Nc1cc(C)ccn1 ZINC000012553974 563801167 /nfs/dbraw/zinc/80/11/67/563801167.db2.gz BPWWCRLYESOGLN-UHFFFAOYSA-N 0 0 310.353 3.925 50 0 DHAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012560136 563801793 /nfs/dbraw/zinc/80/17/93/563801793.db2.gz AORJKZBMFUCPOD-INIZCTEOSA-N 0 0 309.344 3.679 50 0 DHAARN CN(C)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000012595568 563802849 /nfs/dbraw/zinc/80/28/49/563802849.db2.gz YXXSDUXRQRLAHY-UHFFFAOYSA-N 0 0 315.442 3.730 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)no1 ZINC000012613510 563803683 /nfs/dbraw/zinc/80/36/83/563803683.db2.gz YVXHGPGMBFTDJS-MRVPVSSYSA-N 0 0 315.156 3.696 50 0 DHAARN COc1cccc(C)c1C(=O)N[C@H](c1ncccc1C)C1CC1 ZINC000299775944 563805615 /nfs/dbraw/zinc/80/56/15/563805615.db2.gz MBKCGDPHCJXZLU-SFHVURJKSA-N 0 0 310.397 3.588 50 0 DHAARN CSCc1ccc(C(=O)N[C@@H](c2ncccc2C)C2CC2)o1 ZINC000299778341 563805629 /nfs/dbraw/zinc/80/56/29/563805629.db2.gz MLQOQIHJPBXVPM-MRXNPFEDSA-N 0 0 316.426 3.727 50 0 DHAARN Cc1cc(C)n(-c2ccccc2NC(=O)N2CC=C[C@@H]2C(C)C)n1 ZINC000299776763 563805675 /nfs/dbraw/zinc/80/56/75/563805675.db2.gz LKTNZTKKARPEHL-QGZVFWFLSA-N 0 0 324.428 3.917 50 0 DHAARN O=C(Nc1ccc2occc(=O)c2c1)N1CCCCCCC1 ZINC000299775570 563805875 /nfs/dbraw/zinc/80/58/75/563805875.db2.gz KNDLJOCGULBFGD-UHFFFAOYSA-N 0 0 300.358 3.591 50 0 DHAARN CCc1n[nH]c2c1CN(C(=O)Nc1cccc3cc(C)oc31)CC2 ZINC000299771648 563805879 /nfs/dbraw/zinc/80/58/79/563805879.db2.gz VHSRVZLIFGBUFT-UHFFFAOYSA-N 0 0 324.384 3.617 50 0 DHAARN Cc1nnc(CN(Cc2ccccn2)C2CCCCC2)s1 ZINC000299790518 563806463 /nfs/dbraw/zinc/80/64/63/563806463.db2.gz CKQLHHRAUPRUAS-UHFFFAOYSA-N 0 0 302.447 3.576 50 0 DHAARN CCCSc1ccc(NC(=O)NC[C@H]2CCCOC2)cc1 ZINC000299797649 563806394 /nfs/dbraw/zinc/80/63/94/563806394.db2.gz OYQKDDLRILHRGJ-CYBMUJFWSA-N 0 0 308.447 3.737 50 0 DHAARN CC[C@@H](NC(=O)CSc1ccncc1)c1nc(C)c(C)s1 ZINC000299789173 563806619 /nfs/dbraw/zinc/80/66/19/563806619.db2.gz SDZWWEHNDFZUNR-CYBMUJFWSA-N 0 0 321.471 3.515 50 0 DHAARN Cc1csc(CN(C)C(=O)Nc2cccc3c2CCC3)n1 ZINC000299797754 563806699 /nfs/dbraw/zinc/80/66/99/563806699.db2.gz CHYRGGLWFXXMDG-UHFFFAOYSA-N 0 0 301.415 3.604 50 0 DHAARN Cc1csc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)n1 ZINC000031873829 563807691 /nfs/dbraw/zinc/80/76/91/563807691.db2.gz UVEQTWWGZOVFBO-UHFFFAOYSA-N 0 0 319.411 3.658 50 0 DHAARN COc1cccc(C[S@](=O)Cc2ccccc2OC(C)C)c1 ZINC000078556252 563808622 /nfs/dbraw/zinc/80/86/22/563808622.db2.gz LSRSXCNVUUGEDL-JOCHJYFZSA-N 0 0 318.438 3.931 50 0 DHAARN COCCC[C@H](C)C(=O)N1CCCSc2ccc(F)cc21 ZINC000190443690 563809216 /nfs/dbraw/zinc/80/92/16/563809216.db2.gz FECSEFYGXPKAKO-LBPRGKRZSA-N 0 0 311.422 3.717 50 0 DHAARN CC(C)(C)OC(=O)N[C@H](c1nc(C2CC2)no1)c1ccccc1 ZINC000263618103 563810503 /nfs/dbraw/zinc/81/05/03/563810503.db2.gz RGIPLDIHLYPLJA-ZDUSSCGKSA-N 0 0 315.373 3.561 50 0 DHAARN CCc1nc(CSc2n[nH]c(-c3cccs3)n2)cs1 ZINC000083830358 563813179 /nfs/dbraw/zinc/81/31/79/563813179.db2.gz NVMHDQOLLWMSRI-UHFFFAOYSA-N 0 0 308.457 3.844 50 0 DHAARN CN(C(=O)Nc1ccc(C2CC2)nn1)C1CCCCCCC1 ZINC000083855643 563813460 /nfs/dbraw/zinc/81/34/60/563813460.db2.gz QJMWKOTZTXYENJ-UHFFFAOYSA-N 0 0 302.422 3.931 50 0 DHAARN Cc1cc2[nH]c(C(=O)Nc3nnc(C4CC4)s3)cc2c(C)c1 ZINC000012733979 563815706 /nfs/dbraw/zinc/81/57/06/563815706.db2.gz CJNPEIYZKRJQRZ-UHFFFAOYSA-N 0 0 312.398 3.766 50 0 DHAARN CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000001389676 563815722 /nfs/dbraw/zinc/81/57/22/563815722.db2.gz DYLGMGPCUOOGIX-UHFFFAOYSA-N 0 0 311.772 3.552 50 0 DHAARN FC(F)(F)c1nnc2ccc(Oc3ccc(Cl)cc3)nn21 ZINC000001393854 563817489 /nfs/dbraw/zinc/81/74/89/563817489.db2.gz YSUHTOVOZZGBIH-UHFFFAOYSA-N 0 0 314.654 3.589 50 0 DHAARN CSc1nnc(-c2sccc2OCc2ccccc2)n1C ZINC000001395876 563818088 /nfs/dbraw/zinc/81/80/88/563818088.db2.gz DFYSZSPQYOIVAT-UHFFFAOYSA-N 0 0 317.439 3.845 50 0 DHAARN Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)CC(C)C ZINC000084013660 563820934 /nfs/dbraw/zinc/82/09/34/563820934.db2.gz ZBECVSCEMZURFN-UHFFFAOYSA-N 0 0 305.353 3.645 50 0 DHAARN Cc1cc([C@H](C)NC(=O)[C@@H](c2ccccc2)n2cccn2)c(C)o1 ZINC000084081605 563821700 /nfs/dbraw/zinc/82/17/00/563821700.db2.gz QSIXXMMLRYMUKO-KBXCAEBGSA-N 0 0 323.396 3.560 50 0 DHAARN O=C(NCCCc1cccc(F)c1)c1cc(-c2ccccc2)on1 ZINC000223274195 563822396 /nfs/dbraw/zinc/82/23/96/563822396.db2.gz GPGCAMYBMOIPAK-UHFFFAOYSA-N 0 0 324.355 3.843 50 0 DHAARN O=C(c1cccc2c1OCCO2)N1CCC[C@H]1C1CCCCC1 ZINC000084358409 563826491 /nfs/dbraw/zinc/82/64/91/563826491.db2.gz QKKSGOSZKAEFFB-INIZCTEOSA-N 0 0 315.413 3.643 50 0 DHAARN O=C(CCc1ccccn1)N1CCC(=Cc2ccccc2)CC1 ZINC000084525635 563827347 /nfs/dbraw/zinc/82/73/47/563827347.db2.gz ITGRKZSYKXTTGZ-UHFFFAOYSA-N 0 0 306.409 3.720 50 0 DHAARN O=C(C[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000084578911 563827454 /nfs/dbraw/zinc/82/74/54/563827454.db2.gz CVAYIXFWHQDWSX-GDBMZVCRSA-N 0 0 311.381 3.900 50 0 DHAARN COc1cccc([C@H](C)CC(=O)N(C(C)C)C2CCOCC2)c1 ZINC000084550765 563827655 /nfs/dbraw/zinc/82/76/55/563827655.db2.gz ZSUGOBCFGSZCNA-OAHLLOKOSA-N 0 0 319.445 3.605 50 0 DHAARN Cc1cc(C)cc(C(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 ZINC000012769366 563827725 /nfs/dbraw/zinc/82/77/25/563827725.db2.gz FAYVUDQXMBUVJA-CQSZACIVSA-N 0 0 308.381 3.681 50 0 DHAARN O=C(NCc1coc(-c2cccs2)n1)c1ccc(F)cc1F ZINC000012777011 563829734 /nfs/dbraw/zinc/82/97/34/563829734.db2.gz SDCWZPXRYHFKKN-UHFFFAOYSA-N 0 0 320.320 3.611 50 0 DHAARN CN(C)c1cc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)ccn1 ZINC000084673357 563829854 /nfs/dbraw/zinc/82/98/54/563829854.db2.gz JXSJHAYMQDBEFV-QGZVFWFLSA-N 0 0 323.440 3.690 50 0 DHAARN CCN(CCC(F)(F)F)C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000084774726 563831208 /nfs/dbraw/zinc/83/12/08/563831208.db2.gz PBHLQIKOYSPKFZ-UHFFFAOYSA-N 0 0 317.307 3.522 50 0 DHAARN CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1 ZINC000084811871 563831592 /nfs/dbraw/zinc/83/15/92/563831592.db2.gz QGIKPKCIJAOYQR-CWRNSKLLSA-N 0 0 321.490 3.848 50 0 DHAARN COC(=O)c1cccc(CSc2nccn2-c2ccccc2)c1 ZINC000025964340 563832191 /nfs/dbraw/zinc/83/21/91/563832191.db2.gz PARCTPUTCROWBM-UHFFFAOYSA-N 0 0 324.405 3.951 50 0 DHAARN Cc1ncc(C[S@](=O)[C@H](C)c2ncc(C(C)(C)C)o2)s1 ZINC000085225327 563834254 /nfs/dbraw/zinc/83/42/54/563834254.db2.gz RGILLMGDOWZJGD-GSDQLPOLSA-N 0 0 312.460 3.747 50 0 DHAARN O=C(c1ccc(Cl)cc1)c1cc2c(cc1Cl)OCCO2 ZINC000001455713 563835740 /nfs/dbraw/zinc/83/57/40/563835740.db2.gz BZQTYRGCAKHXNO-UHFFFAOYSA-N 0 0 309.148 3.996 50 0 DHAARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Cc2noc3ccccc32)o1 ZINC000053194084 563836490 /nfs/dbraw/zinc/83/64/90/563836490.db2.gz MFBDQRRCKNMPIS-IUODEOHRSA-N 0 0 324.380 3.745 50 0 DHAARN O=C(OC1CCCC1)N1CCN(C2CC2)C[C@H]1c1ccccc1 ZINC000085472654 563838388 /nfs/dbraw/zinc/83/83/88/563838388.db2.gz ZLSAUTLPGFPTBO-SFHVURJKSA-N 0 0 314.429 3.587 50 0 DHAARN C[C@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1ccccn1 ZINC000185505816 563840149 /nfs/dbraw/zinc/84/01/49/563840149.db2.gz AWHPOJNSSYPZRM-GWCFXTLKSA-N 0 0 315.339 3.563 50 0 DHAARN O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Cl)cc1Cl ZINC000000098052 563840738 /nfs/dbraw/zinc/84/07/38/563840738.db2.gz SSOMEQVZSPBNRH-UHFFFAOYSA-N 0 0 323.204 3.981 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000012822350 563841326 /nfs/dbraw/zinc/84/13/26/563841326.db2.gz TYFQISHVBCNQRA-GOSISDBHSA-N 0 0 323.392 3.922 50 0 DHAARN CCn1c(SCc2cccc(F)c2)nnc1-c1cccnc1 ZINC000000526132 563843064 /nfs/dbraw/zinc/84/30/64/563843064.db2.gz NXMHWZYNXMPBJK-UHFFFAOYSA-N 0 0 314.389 3.791 50 0 DHAARN CCOc1ccccc1NC(=O)c1ccc(OC)c(Cl)c1 ZINC000000467007 563843100 /nfs/dbraw/zinc/84/31/00/563843100.db2.gz PHXQBVSTCXZDMQ-UHFFFAOYSA-N 0 0 305.761 4.000 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000048103 563843911 /nfs/dbraw/zinc/84/39/11/563843911.db2.gz VTYASFGTEDMWAA-UHFFFAOYSA-N 0 0 303.745 3.769 50 0 DHAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 ZINC000012849449 563844250 /nfs/dbraw/zinc/84/42/50/563844250.db2.gz DVPJKCSLNVJDNB-UHFFFAOYSA-N 0 0 314.772 3.941 50 0 DHAARN Cn1ccc(Nc2nc(-c3ccsc3)nc3ccccc32)n1 ZINC000012847460 563844487 /nfs/dbraw/zinc/84/44/87/563844487.db2.gz APGBIWYACBGBST-UHFFFAOYSA-N 0 0 307.382 3.835 50 0 DHAARN CC(C)[C@H](C)N(C(=O)N[C@H](c1nccs1)C1CC1)C1CC1 ZINC000086424642 563845532 /nfs/dbraw/zinc/84/55/32/563845532.db2.gz WQHCPYZSAFVAAT-FZMZJTMJSA-N 0 0 307.463 3.813 50 0 DHAARN O=[S@@](CCc1ccccc1Br)c1ccccc1 ZINC000043214788 563847866 /nfs/dbraw/zinc/84/78/66/563847866.db2.gz QSIOGRNYIYRFDW-QGZVFWFLSA-N 0 0 309.228 3.799 50 0 DHAARN COC(=O)[C@@]1(C)CC[C@H](C(=O)c2ccc(N(C)C)cc2)C1(C)C ZINC000086069544 563848422 /nfs/dbraw/zinc/84/84/22/563848422.db2.gz BMEQVLFAKXSKBJ-DNVCBOLYSA-N 0 0 317.429 3.551 50 0 DHAARN Cc1cc(C)c(C)c(S(=O)(=O)NCCc2cccs2)c1C ZINC000012892351 563852805 /nfs/dbraw/zinc/85/28/05/563852805.db2.gz VFHUVZSWRCSKSY-UHFFFAOYSA-N 0 0 323.483 3.503 50 0 DHAARN O=C(c1ccncc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012888069 563852861 /nfs/dbraw/zinc/85/28/61/563852861.db2.gz GJRZYJOCUASJKF-SFHVURJKSA-N 0 0 320.417 3.931 50 0 DHAARN CN(Cc1ccsc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000012911092 563853880 /nfs/dbraw/zinc/85/38/80/563853880.db2.gz YACQNFRFDZRNMB-UHFFFAOYSA-N 0 0 323.483 3.866 50 0 DHAARN O=C(Nc1cc(F)ccc1F)c1cc(F)c(F)c(F)c1F ZINC000012920374 563854564 /nfs/dbraw/zinc/85/45/64/563854564.db2.gz JTJQLNBYCCROMW-UHFFFAOYSA-N 0 0 305.177 3.774 50 0 DHAARN C[C@H]1Cc2ccccc2N1C(=O)N[C@@H](c1nccs1)C1CC1 ZINC000074708931 563856495 /nfs/dbraw/zinc/85/64/95/563856495.db2.gz LBYKXNNYKYDRAH-XHDPSFHLSA-N 0 0 313.426 3.755 50 0 DHAARN CC(C)(C)C(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 ZINC000075155365 563860749 /nfs/dbraw/zinc/86/07/49/563860749.db2.gz MJBHDEKBCYEQIA-HXUWFJFHSA-N 0 0 311.425 3.723 50 0 DHAARN Cc1noc(C2(NC(=O)c3cccc(Cl)c3)CCCCC2)n1 ZINC000075164089 563861145 /nfs/dbraw/zinc/86/11/45/563861145.db2.gz SJADZGXFIVHZRQ-UHFFFAOYSA-N 0 0 319.792 3.621 50 0 DHAARN CSCC[C@](C)(O)CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000075157690 563861168 /nfs/dbraw/zinc/86/11/68/563861168.db2.gz BIKZHDALTKGMKM-KRWDZBQOSA-N 0 0 324.490 3.610 50 0 DHAARN O=C1C2=C(CCCC2)C(=O)N1c1c(Cl)ccc2cnccc21 ZINC000075272998 563862354 /nfs/dbraw/zinc/86/23/54/563862354.db2.gz ZGFLZMAHYJOLLO-UHFFFAOYSA-N 0 0 312.756 3.632 50 0 DHAARN COC(=O)c1ccccc1NC(=O)Nc1ccccc1Cl ZINC000001640192 563863751 /nfs/dbraw/zinc/86/37/51/563863751.db2.gz PNTPKLXMSREQCV-UHFFFAOYSA-N 0 0 304.733 3.771 50 0 DHAARN CCC(=O)N1CCc2cc(C(=O)Nc3cc(C)ccc3C)ccc21 ZINC000075351638 563864142 /nfs/dbraw/zinc/86/41/42/563864142.db2.gz FELQBVRNMVPGSU-UHFFFAOYSA-N 0 0 322.408 3.855 50 0 DHAARN Clc1ccc([C@H](NCc2noc(C3CC3)n2)C2CC2)cc1 ZINC000053606986 563864335 /nfs/dbraw/zinc/86/43/35/563864335.db2.gz OLJFCGFFVTURFJ-OAHLLOKOSA-N 0 0 303.793 3.841 50 0 DHAARN O=C(c1cnc2ccccc2c1O)N1CCC[C@@H]1c1ccccc1 ZINC000053794173 563866312 /nfs/dbraw/zinc/86/63/12/563866312.db2.gz QFPJDLBLVRNRQT-GOSISDBHSA-N 0 0 318.376 3.505 50 0 DHAARN S=c1nc(-c2ccccc2)n(-c2nc3ccccc3s2)[nH]1 ZINC000006230954 563866701 /nfs/dbraw/zinc/86/67/01/563866701.db2.gz KETQPASNKLPSJJ-UHFFFAOYSA-N 0 0 310.407 3.833 50 0 DHAARN O=C(NCc1cccs1)Nc1ccc(-c2ccncc2)nc1 ZINC000575615544 563867332 /nfs/dbraw/zinc/86/73/32/563867332.db2.gz GEGMPEXAYMFAQX-UHFFFAOYSA-N 0 0 310.382 3.527 50 0 DHAARN Cc1ccccc1NC(=O)NCc1nccnc1-c1cccs1 ZINC000575619976 563867805 /nfs/dbraw/zinc/86/78/05/563867805.db2.gz IKJGKQZFDUKQPY-UHFFFAOYSA-N 0 0 324.409 3.835 50 0 DHAARN Cc1cc(C(=O)N[C@@H](C)Cc2csc3ccccc23)no1 ZINC000575618748 563867820 /nfs/dbraw/zinc/86/78/20/563867820.db2.gz CDVHNPGTHRPSTC-JTQLQIEISA-N 0 0 300.383 3.559 50 0 DHAARN CCC(CC)NC(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000010465605 563868795 /nfs/dbraw/zinc/86/87/95/563868795.db2.gz ZYKCUGASBQQTRF-UHFFFAOYSA-N 0 0 300.402 3.836 50 0 DHAARN CCO[C@H](C)c1nc(CN(C)[C@@H]2CC[C@@H](SC)C2)cs1 ZINC000229836859 563870793 /nfs/dbraw/zinc/87/07/93/563870793.db2.gz ONHFDBMGEAIMQJ-MRVWCRGKSA-N 0 0 314.520 3.957 50 0 DHAARN Cc1onc(-c2cccc(F)c2)c1C(=O)NCCc1ccccc1 ZINC000035536542 563872221 /nfs/dbraw/zinc/87/22/21/563872221.db2.gz LTHLWSZFRNNHRH-UHFFFAOYSA-N 0 0 324.355 3.762 50 0 DHAARN Cc1nc(-c2cc(NC(=O)c3cccc(F)c3)c(C)s2)no1 ZINC000035554673 563872284 /nfs/dbraw/zinc/87/22/84/563872284.db2.gz NYBCPHHVHCXXAX-UHFFFAOYSA-N 0 0 317.345 3.806 50 0 DHAARN CCCNC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000035536398 563872390 /nfs/dbraw/zinc/87/23/90/563872390.db2.gz MKXYWVTWEYFWCB-UHFFFAOYSA-N 0 0 323.190 3.552 50 0 DHAARN Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000012981012 563872808 /nfs/dbraw/zinc/87/28/08/563872808.db2.gz JQYRBGQNDARFCI-GFCCVEGCSA-N 0 0 307.397 3.681 50 0 DHAARN CCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccc(C)nc21 ZINC000006817240 563872847 /nfs/dbraw/zinc/87/28/47/563872847.db2.gz IMFLDUIPUCUSGW-UHFFFAOYSA-N 0 0 320.392 3.654 50 0 DHAARN COc1ccccc1CN(C)C(=O)c1cc2ccccc2cc1O ZINC000012996394 563873984 /nfs/dbraw/zinc/87/39/84/563873984.db2.gz YIMIAGDQVPXBJS-UHFFFAOYSA-N 0 0 321.376 3.826 50 0 DHAARN O=C(c1ccc(Br)cc1)N1CCOC12CCCCC2 ZINC000035671106 563874122 /nfs/dbraw/zinc/87/41/22/563874122.db2.gz VNROFMMEXRKFIP-UHFFFAOYSA-N 0 0 324.218 3.582 50 0 DHAARN O=C(C1CCOCC1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000084839191 563874476 /nfs/dbraw/zinc/87/44/76/563874476.db2.gz LRAOKTNZEGJBDB-VYENPZKTSA-N 0 0 313.441 3.898 50 0 DHAARN CC(C)Oc1ccc(C(=O)Nc2cc(-c3cccnc3)no2)cc1 ZINC000096100814 563874961 /nfs/dbraw/zinc/87/49/61/563874961.db2.gz LEUGZQRMWKYALT-UHFFFAOYSA-N 0 0 323.352 3.776 50 0 DHAARN COc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1OC ZINC000013010286 563875576 /nfs/dbraw/zinc/87/55/76/563875576.db2.gz SOVBEVXBUVVMQT-LLVKDONJSA-N 0 0 319.788 3.848 50 0 DHAARN O=C(CCc1ccc2[nH]c(-c3ccccc3)nc2c1)N1CCCC1 ZINC000075478956 563876063 /nfs/dbraw/zinc/87/60/63/563876063.db2.gz QCKLXLBLMFSFFS-UHFFFAOYSA-N 0 0 319.408 3.785 50 0 DHAARN CC(C)c1ccc(OCC(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000013015685 563876791 /nfs/dbraw/zinc/87/67/91/563876791.db2.gz WYXQZOJHXOOGCJ-IBGZPJMESA-N 0 0 309.409 3.993 50 0 DHAARN CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O ZINC000001787537 563878667 /nfs/dbraw/zinc/87/86/67/563878667.db2.gz YXRPKEAKGALMDS-UHFFFAOYSA-N 0 0 318.369 3.798 50 0 DHAARN C[C@H](Cc1nc(-c2nccs2)cs1)n1cc(Cl)cn1 ZINC000278323234 563879113 /nfs/dbraw/zinc/87/91/13/563879113.db2.gz UFHYFTKMZOZWGA-MRVPVSSYSA-N 0 0 310.835 3.920 50 0 DHAARN CC[C@@H]1CCc2sc(C(=O)N[C@H](C)[C@H]3CCCO3)cc2C1 ZINC000239212591 563879688 /nfs/dbraw/zinc/87/96/88/563879688.db2.gz SZSDGYOOFLKRNZ-YRGRVCCFSA-N 0 0 307.459 3.560 50 0 DHAARN COC(=O)[C@](F)(Sc1c[nH]c2ccccc12)C(F)(F)F ZINC000001827073 563881996 /nfs/dbraw/zinc/88/19/96/563881996.db2.gz JDNJCEPNLOWAEZ-NSHDSACASA-N 0 0 307.268 3.661 50 0 DHAARN CC(C)c1nnc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)o1 ZINC000246186521 563882530 /nfs/dbraw/zinc/88/25/30/563882530.db2.gz RDLASEBARFDUEJ-CKEIUWERSA-N 0 0 315.417 3.544 50 0 DHAARN CCOP(=O)(Cc1ccc(C(=O)N(CC)CC)o1)OCC ZINC000001873455 563882722 /nfs/dbraw/zinc/88/27/22/563882722.db2.gz LOUGNTWOOQVNNY-UHFFFAOYSA-N 0 0 317.322 3.528 50 0 DHAARN Cc1ccccc1CNC(=O)CCc1ccc2c(ccn2C)c1 ZINC000075550552 563883806 /nfs/dbraw/zinc/88/38/06/563883806.db2.gz RLDFWPGPPBBHGP-UHFFFAOYSA-N 0 0 306.409 3.736 50 0 DHAARN CC(C)OCc1cccc(NC(=O)N2CCS[C@@H](C)CC2)c1 ZINC000192240714 563885740 /nfs/dbraw/zinc/88/57/40/563885740.db2.gz MRIDTHKCOBHMFS-AWEZNQCLSA-N 0 0 322.474 3.971 50 0 DHAARN COc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1 ZINC000000307988 563886941 /nfs/dbraw/zinc/88/69/41/563886941.db2.gz FWDGSSFEXLQQMK-UHFFFAOYSA-N 0 0 310.349 3.997 50 0 biogenic DHAARN C[C@@H](NC(=O)/C=C/c1ccccc1)[C@H]1OCCc2ccccc21 ZINC000000518829 563887323 /nfs/dbraw/zinc/88/73/23/563887323.db2.gz KBEHEPIHIKNOCU-NVBSGXMSSA-N 0 0 307.393 3.519 50 0 biogenic DHAARN CS[C@@H]1CCC[C@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 ZINC000089493391 563887971 /nfs/dbraw/zinc/88/79/71/563887971.db2.gz FDHACZBVQMFWSF-VXGBXAGGSA-N 0 0 324.412 3.787 50 0 DHAARN CC(C)CC(CCC#N)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252637418 563888007 /nfs/dbraw/zinc/88/80/07/563888007.db2.gz XSTLERCIWVQZTB-UHFFFAOYSA-N 0 0 319.321 3.621 50 0 DHAARN CCO[C@H](C)c1nccn1Cc1cc(-c2cccs2)on1 ZINC000089521404 563889610 /nfs/dbraw/zinc/88/96/10/563889610.db2.gz YJDXEMCQLQNKSF-LLVKDONJSA-N 0 0 303.387 3.745 50 0 DHAARN Cn1c2ccccc2c2c1CCN(C(=S)Nc1ccccc1)C2 ZINC000035970941 563890261 /nfs/dbraw/zinc/89/02/61/563890261.db2.gz JNXZLUMLPUGXBC-UHFFFAOYSA-N 0 0 321.449 3.933 50 0 DHAARN CCn1cc([C@@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000100758526 563890826 /nfs/dbraw/zinc/89/08/26/563890826.db2.gz RJFUMUUJPFDMOX-INIZCTEOSA-N 0 0 318.376 3.708 50 0 biogenic DHAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)cc1 ZINC000002069033 563891628 /nfs/dbraw/zinc/89/16/28/563891628.db2.gz NBZBYTRKXVDUEC-NTEUORMPSA-N 0 0 301.704 3.824 50 0 DHAARN O=S(=O)(Oc1cccc2cccnc21)c1ccc(Cl)cc1 ZINC000002063028 563891863 /nfs/dbraw/zinc/89/18/63/563891863.db2.gz XAZKKDQLXJQXOP-UHFFFAOYSA-N 0 0 319.769 3.656 50 0 DHAARN Cc1ccc(Cn2ncc3ccc(C(=O)NC(C)C)cc32)cc1 ZINC000064664845 563892122 /nfs/dbraw/zinc/89/21/22/563892122.db2.gz WMNWZMUFRKVWPY-UHFFFAOYSA-N 0 0 307.397 3.531 50 0 DHAARN O=C(c1ccccc1Cl)N1CC(OCc2ccc(F)cc2)C1 ZINC000064665807 563892175 /nfs/dbraw/zinc/89/21/75/563892175.db2.gz BKZWZKVEQYGAQH-UHFFFAOYSA-N 0 0 319.763 3.520 50 0 DHAARN O=C([O-])c1ccccc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036056949 563892429 /nfs/dbraw/zinc/89/24/29/563892429.db2.gz FUSMGHBUCDVHPC-DZGCQCFKSA-N 0 0 305.443 3.741 50 0 DHAARN CCc1ccccc1NC(=O)c1ccc2c(c1)nnn2C(C)C ZINC000064818451 563894201 /nfs/dbraw/zinc/89/42/01/563894201.db2.gz OSKSFWDRGAHLTR-UHFFFAOYSA-N 0 0 308.385 3.827 50 0 DHAARN OCc1c(-c2ccc(Cl)cc2Cl)nc2ccc(F)cn21 ZINC000036244596 563894750 /nfs/dbraw/zinc/89/47/50/563894750.db2.gz UXXDXTVYNTZUAC-UHFFFAOYSA-N 0 0 311.143 3.940 50 0 DHAARN CC(C)(C)CC(=O)N1CCC[C@@H](OCc2ccccc2F)C1 ZINC000036314467 563895199 /nfs/dbraw/zinc/89/51/99/563895199.db2.gz GVVQSARSXFWKKW-OAHLLOKOSA-N 0 0 307.409 3.770 50 0 DHAARN COc1ccccc1NC(=O)c1cc(F)ccc1-n1cccc1 ZINC000036352934 563895759 /nfs/dbraw/zinc/89/57/59/563895759.db2.gz LPAVTZKYEHNIKZ-UHFFFAOYSA-N 0 0 310.328 3.877 50 0 DHAARN Fc1ccc(-c2nnc3sc(-c4ccsc4)nn32)cc1F ZINC000036360641 563896262 /nfs/dbraw/zinc/89/62/62/563896262.db2.gz LQXBDVFGGXQUKW-UHFFFAOYSA-N 0 0 320.349 3.860 50 0 DHAARN Cc1ccc2onc(CC(=O)N3CCCc4ccccc43)c2c1 ZINC000006838741 563896408 /nfs/dbraw/zinc/89/64/08/563896408.db2.gz BWMUELLUWPBGML-UHFFFAOYSA-N 0 0 306.365 3.658 50 0 DHAARN Cc1ccc2onc(CNC(=O)N[C@@H](C)c3ccccc3)c2c1 ZINC000006866279 563897563 /nfs/dbraw/zinc/89/75/63/563897563.db2.gz ZMKWECBUDQEXEH-ZDUSSCGKSA-N 0 0 309.369 3.697 50 0 DHAARN CC(C)CC(=O)Nc1ccc(C(=O)COc2ccccc2)cc1 ZINC000006881200 563898250 /nfs/dbraw/zinc/89/82/50/563898250.db2.gz KYXQEOSURNHKJU-UHFFFAOYSA-N 0 0 311.381 3.933 50 0 DHAARN CCn1cc(NC(=O)c2ccccc2COc2ccccc2)cn1 ZINC000036394908 563898301 /nfs/dbraw/zinc/89/83/01/563898301.db2.gz DMLXMDXLQSKIOT-UHFFFAOYSA-N 0 0 321.380 3.734 50 0 DHAARN C[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000036397971 563898635 /nfs/dbraw/zinc/89/86/35/563898635.db2.gz LRGKZCJIFFWLJI-NOZJJQNGSA-N 0 0 320.647 3.971 50 0 DHAARN c1ccc(-c2noc(-c3cncnc3N3CCCCCC3)n2)cc1 ZINC000169775537 563898649 /nfs/dbraw/zinc/89/86/49/563898649.db2.gz JBFYKINLSZSYRQ-UHFFFAOYSA-N 0 0 321.384 3.574 50 0 DHAARN CCN(Cc1ccccc1)c1c(=O)c(=O)c1-c1ccc(C)c(C)c1 ZINC000006892988 563898886 /nfs/dbraw/zinc/89/88/86/563898886.db2.gz CJRBWFYRUSKWBZ-UHFFFAOYSA-N 0 0 319.404 3.593 50 0 DHAARN COc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1 ZINC000008007387 563899151 /nfs/dbraw/zinc/89/91/51/563899151.db2.gz ZZOVYSBXGBUFCQ-UHFFFAOYSA-N 0 0 324.405 3.749 50 0 DHAARN CCc1cccc(Nc2ncnc3c2nc2n3CCCCC2)c1 ZINC000006899607 563899278 /nfs/dbraw/zinc/89/92/78/563899278.db2.gz HBFGDTYUDQCWFO-UHFFFAOYSA-N 0 0 307.401 3.859 50 0 DHAARN CCc1ccc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)cc1 ZINC000006932091 563899669 /nfs/dbraw/zinc/89/96/69/563899669.db2.gz HOAASFWVZBNQOM-UHFFFAOYSA-N 0 0 321.380 3.745 50 0 aggregator DHAARN CCCN(CCC)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942268 563900146 /nfs/dbraw/zinc/90/01/46/563900146.db2.gz DTJJGXPWQCQISY-UHFFFAOYSA-N 0 0 305.809 3.992 50 0 DHAARN O=C(Cc1ccc(F)cc1)Nc1cc(-c2cccs2)no1 ZINC000065152924 563900373 /nfs/dbraw/zinc/90/03/73/563900373.db2.gz DWTXWEDVVASCFO-UHFFFAOYSA-N 0 0 302.330 3.723 50 0 DHAARN CC(C)(C)C(=O)N1CCC(CCOc2cccc(F)c2)CC1 ZINC000065180695 563900667 /nfs/dbraw/zinc/90/06/67/563900667.db2.gz MHQPDWFZJYQTPE-UHFFFAOYSA-N 0 0 307.409 3.879 50 0 DHAARN NN[P@@](=O)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2 ZINC000006996268 563900832 /nfs/dbraw/zinc/90/08/32/563900832.db2.gz SYEXGYHRXJSVSQ-YMEWJGLLSA-N 0 0 322.345 3.622 50 0 DHAARN C[C@@H](Sc1ncccn1)c1nnc(-c2ccc(F)cc2)o1 ZINC000006986842 563900839 /nfs/dbraw/zinc/90/08/39/563900839.db2.gz NRNRHGKBCNQUEQ-SECBINFHSA-N 0 0 302.334 3.519 50 0 DHAARN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2)o1 ZINC000007975941 563900889 /nfs/dbraw/zinc/90/08/89/563900889.db2.gz ZDIMOWAHYHUMJT-GFCCVEGCSA-N 0 0 306.793 3.700 50 0 DHAARN CCOc1ncccc1C(=O)Nc1nc2c(cccc2C)s1 ZINC000007007538 563901145 /nfs/dbraw/zinc/90/11/45/563901145.db2.gz CQSXUCKBRHVBCK-UHFFFAOYSA-N 0 0 313.382 3.651 50 0 DHAARN CCNc1nnc(SCc2ccc3ccccc3n2)s1 ZINC000007051182 563901920 /nfs/dbraw/zinc/90/19/20/563901920.db2.gz KKKNFKQUDAIVFF-UHFFFAOYSA-N 0 0 302.428 3.810 50 0 DHAARN c1ccc(CN2CCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286116 563902426 /nfs/dbraw/zinc/90/24/26/563902426.db2.gz RBIHFYDJZUNGCJ-QGZVFWFLSA-N 0 0 320.396 3.859 50 0 DHAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000002767254 563902668 /nfs/dbraw/zinc/90/26/68/563902668.db2.gz MCPITIDDFTXSRE-KRWDZBQOSA-N 0 0 303.427 3.733 50 0 DHAARN Cc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 ZINC000007078606 563902676 /nfs/dbraw/zinc/90/26/76/563902676.db2.gz RVKMTXXKDRGAMC-UHFFFAOYSA-N 0 0 318.446 3.658 50 0 DHAARN CN(Cc1ccc(C(C)(C)C)cc1)Cn1c2ccccc2oc1=O ZINC000007077526 563902717 /nfs/dbraw/zinc/90/27/17/563902717.db2.gz MFTLAHHSEPTIIT-UHFFFAOYSA-N 0 0 324.424 3.982 50 0 DHAARN CCc1ccc(-c2nn(CN3CCC(C)CC3)c(=S)[nH]2)cc1 ZINC000007074521 563902742 /nfs/dbraw/zinc/90/27/42/563902742.db2.gz YLMVIATVGKYZQO-UHFFFAOYSA-N 0 0 316.474 3.859 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2C[C@@H]1C ZINC000007114877 563902861 /nfs/dbraw/zinc/90/28/61/563902861.db2.gz AIBCUUJDBNJJKX-HOTGVXAUSA-N 0 0 308.425 3.657 50 0 DHAARN COc1cc2ccccc2cc1C(=O)OCC(=O)C(C)(C)C ZINC000007141089 563903588 /nfs/dbraw/zinc/90/35/88/563903588.db2.gz USACWCUZXFNFDL-UHFFFAOYSA-N 0 0 300.354 3.620 50 0 DHAARN Cc1cc(C)c(C[NH2+][C@H](CC(=O)[O-])c2ccsc2)cc1C ZINC000170090961 563903698 /nfs/dbraw/zinc/90/36/98/563903698.db2.gz CRXNZJQTJWOUQT-MRXNPFEDSA-N 0 0 303.427 3.979 50 0 DHAARN O=C(NC1CC1)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000007191793 563904215 /nfs/dbraw/zinc/90/42/15/563904215.db2.gz DADWCLDVOGQKCU-MRXNPFEDSA-N 0 0 319.763 3.878 50 0 DHAARN Cc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000007193023 563904260 /nfs/dbraw/zinc/90/42/60/563904260.db2.gz HKQPYYZTBISOFU-SECBINFHSA-N 0 0 317.439 4.000 50 0 DHAARN CSc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccncc2)c1 ZINC000007183992 563904357 /nfs/dbraw/zinc/90/43/57/563904357.db2.gz HTPDUOCOTMBPPO-JTQLQIEISA-N 0 0 306.818 3.948 50 0 DHAARN Fc1ccc(OCc2nccn2C(F)F)c(Br)c1 ZINC000036804799 563904605 /nfs/dbraw/zinc/90/46/05/563904605.db2.gz JJVIRPROTYYDEN-UHFFFAOYSA-N 0 0 321.096 3.759 50 0 DHAARN CC(C)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000007209759 563904622 /nfs/dbraw/zinc/90/46/22/563904622.db2.gz HRIWUCKCITURQI-VIFPVBQESA-N 0 0 308.472 3.858 50 0 DHAARN CCCC(=O)n1nc(-c2ccco2)nc1NCc1cccs1 ZINC000007260874 563904799 /nfs/dbraw/zinc/90/47/99/563904799.db2.gz BJFCEOJOMYSAPV-UHFFFAOYSA-N 0 0 316.386 3.652 50 0 DHAARN Cc1nnc(SCc2csc(-c3ccc(C)cc3)n2)n1C ZINC000007234917 563904817 /nfs/dbraw/zinc/90/48/17/563904817.db2.gz OSWYKWHFKWCLOU-UHFFFAOYSA-N 0 0 316.455 3.848 50 0 DHAARN CN(C)c1ccc(NCc2ccc(Br)s2)cn1 ZINC000036988934 563905454 /nfs/dbraw/zinc/90/54/54/563905454.db2.gz OWNKMRVHYCJMAM-UHFFFAOYSA-N 0 0 312.236 3.584 50 0 DHAARN Fc1ccccc1OCCSc1n[nH]c(-c2ccccc2)n1 ZINC000007471865 563906666 /nfs/dbraw/zinc/90/66/66/563906666.db2.gz NNBRAMBHPHTWAA-UHFFFAOYSA-N 0 0 315.373 3.782 50 0 DHAARN CO[C@@H](C)CNC(=O)c1cc(N[C@H](C)C(C)C)ccc1Cl ZINC000170604403 563907396 /nfs/dbraw/zinc/90/73/96/563907396.db2.gz LUZOTOWJNAHXRT-NWDGAFQWSA-N 0 0 312.841 3.561 50 0 DHAARN C[C@@H]1CN(C(=O)Nc2ccc(SC(C)(C)C)cc2)CC[C@H]1O ZINC000170609724 563907682 /nfs/dbraw/zinc/90/76/82/563907682.db2.gz AWFCZNSCDKSLCS-IUODEOHRSA-N 0 0 322.474 3.812 50 0 DHAARN C[C@H](c1ccccc1)[C@@](C)(O)c1nc(COc2ccccc2)no1 ZINC000170606714 563907837 /nfs/dbraw/zinc/90/78/37/563907837.db2.gz LFYXLYHMWDYQNY-AUUYWEPGSA-N 0 0 324.380 3.660 50 0 DHAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cccs1 ZINC000007533954 563908079 /nfs/dbraw/zinc/90/80/79/563908079.db2.gz JTZNIOJIEYFRQB-LLVKDONJSA-N 0 0 313.378 3.966 50 0 DHAARN COc1ccc(OC)c(NC(=S)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000007529410 563908141 /nfs/dbraw/zinc/90/81/41/563908141.db2.gz DKVLDCUPBQERSW-WCQYABFASA-N 0 0 308.447 3.569 50 0 DHAARN Cc1cc2c(ncnc2NCc2nccn2-c2ccccc2)s1 ZINC000170616241 563908439 /nfs/dbraw/zinc/90/84/39/563908439.db2.gz NHZHMUBAMYNESI-UHFFFAOYSA-N 0 0 321.409 3.798 50 0 DHAARN C[C@@H]1CCC[C@@H]1NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000170621650 563908546 /nfs/dbraw/zinc/90/85/46/563908546.db2.gz LFHLAOFUSPUSMD-PWSUYJOCSA-N 0 0 302.403 3.515 50 0 DHAARN C[C@H]1CCC[C@@H]1NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000170621651 563908561 /nfs/dbraw/zinc/90/85/61/563908561.db2.gz LFHLAOFUSPUSMD-JQWIXIFHSA-N 0 0 302.403 3.515 50 0 DHAARN C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC000170626857 563908734 /nfs/dbraw/zinc/90/87/34/563908734.db2.gz FGGWDXDFCWMCID-AOIWGVFYSA-N 0 0 305.462 3.931 50 0 DHAARN O=C(CCC(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000009882337 563909094 /nfs/dbraw/zinc/90/90/94/563909094.db2.gz NKXOBTRBPIDRBN-UHFFFAOYSA-N 0 0 301.773 3.619 50 0 DHAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2ncsc2c1 ZINC000010217232 563909213 /nfs/dbraw/zinc/90/92/13/563909213.db2.gz RWIHTMFRCRPMNS-UHFFFAOYSA-N 0 0 318.785 3.967 50 0 DHAARN Cc1ccc(CCn2c3ccc(F)cc3c3c2CCN(C)C3)cn1 ZINC000071294959 563909227 /nfs/dbraw/zinc/90/92/27/563909227.db2.gz ALOWJQCLRWGVOV-UHFFFAOYSA-N 0 0 323.415 3.714 50 0 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0 DHAARN Cc1nc(C(=O)N2CCCc3ccc(F)c(F)c32)c(C)s1 ZINC000271423966 563912654 /nfs/dbraw/zinc/91/26/54/563912654.db2.gz ZXVWMNMNSDPBGP-UHFFFAOYSA-N 0 0 308.353 3.631 50 0 DHAARN Cc1cc(O[C@H](C)C(=O)Nc2nccs2)cc(C)c1Cl ZINC000000150824 563912715 /nfs/dbraw/zinc/91/27/15/563912715.db2.gz PPHNMQXOMOCZOI-SNVBAGLBSA-N 0 0 310.806 3.819 50 0 DHAARN Cc1nc(C(C)(C)NC(=O)[C@@]2(C)CC2(Cl)Cl)sc1C ZINC000076476386 563912847 /nfs/dbraw/zinc/91/28/47/563912847.db2.gz CYORRXRYBBYJEU-GFCCVEGCSA-N 0 0 321.273 3.695 50 0 DHAARN Brc1ccc(NCc2cn3ccccc3n2)cc1 ZINC000000078777 563912858 /nfs/dbraw/zinc/91/28/58/563912858.db2.gz WNKMFZJTIIRUGR-UHFFFAOYSA-N 0 0 302.175 3.709 50 0 DHAARN CC(C)CCCCCCOc1ccc([C@H]2CC(=O)NC2=O)cc1 ZINC000002087206 563913771 /nfs/dbraw/zinc/91/37/71/563913771.db2.gz YDHVSMZGODJWBP-QGZVFWFLSA-N 0 0 317.429 3.802 50 0 biogenic DHAARN O=S(=O)(/C=C\c1ccccc1)N1CCC[C@H]1c1ccccc1 ZINC000252452947 563914858 /nfs/dbraw/zinc/91/48/58/563914858.db2.gz PZZJWKAUKIQAOG-OJSRQPNCSA-N 0 0 313.422 3.824 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300.427 3.917 50 0 DHAARN CC(C)[C@@H]1OCC[C@@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000252509735 563916550 /nfs/dbraw/zinc/91/65/50/563916550.db2.gz YUMGVBOBJHJBND-XUXIUFHCSA-N 0 0 308.422 3.517 50 0 DHAARN CC(C)[C@@H]1OCC[C@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000252509733 563916562 /nfs/dbraw/zinc/91/65/62/563916562.db2.gz YUMGVBOBJHJBND-RFGFWPKPSA-N 0 0 308.422 3.517 50 0 DHAARN O=C(CC1CCCC1)N1CCC(OCCc2ccccc2)CC1 ZINC000390834170 563916708 /nfs/dbraw/zinc/91/67/08/563916708.db2.gz TXPXFHRXGGLKOW-UHFFFAOYSA-N 0 0 315.457 3.817 50 0 DHAARN Cc1cc(=O)c(C(=O)N2Cc3ccccc3-c3ccccc32)c[nH]1 ZINC000170647390 563916825 /nfs/dbraw/zinc/91/68/25/563916825.db2.gz BQCQGFWIQXQYLQ-UHFFFAOYSA-N 0 0 316.360 3.511 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCCCC[C@H]1c1ccncc1 ZINC000252536931 563917012 /nfs/dbraw/zinc/91/70/12/563917012.db2.gz JUTOOOZJEWPWBT-INIZCTEOSA-N 0 0 311.385 3.705 50 0 DHAARN CC[C@@H](C)NC(=O)c1sc(COc2ccc(C)cc2)nc1C ZINC000027338667 563917079 /nfs/dbraw/zinc/91/70/79/563917079.db2.gz YATNSOVOYGDUOF-GFCCVEGCSA-N 0 0 318.442 3.867 50 0 DHAARN CCN1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000002201788 563917203 /nfs/dbraw/zinc/91/72/03/563917203.db2.gz DQLNXBHQFVPAOD-UHFFFAOYSA-N 0 0 309.413 3.582 50 0 DHAARN O=C1CCCN1c1ccc(Nc2ncnc3sccc32)cc1 ZINC000007612783 563917381 /nfs/dbraw/zinc/91/73/81/563917381.db2.gz ARFLRXNPEIKCGN-UHFFFAOYSA-N 0 0 310.382 3.562 50 0 DHAARN Cc1nnc(SCc2ncc(-c3ccccc3)o2)n1C1CC1 ZINC000007617716 563917385 /nfs/dbraw/zinc/91/73/85/563917385.db2.gz ICXRAXHFHUBZCR-UHFFFAOYSA-N 0 0 312.398 3.869 50 0 DHAARN COCCNc1ccccc1NC(=O)c1ccccc1SC ZINC000194500244 563917759 /nfs/dbraw/zinc/91/77/59/563917759.db2.gz SNIWVNIJBUCQEE-UHFFFAOYSA-N 0 0 316.426 3.719 50 0 DHAARN Fc1cc(Br)cc2c1N(Cc1cccnc1)CC2 ZINC000170685165 563917769 /nfs/dbraw/zinc/91/77/69/563917769.db2.gz FGWRWZDTEZRFTE-UHFFFAOYSA-N 0 0 307.166 3.546 50 0 DHAARN COCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000007736597 563918499 /nfs/dbraw/zinc/91/84/99/563918499.db2.gz YYSWTJYUVKJHDC-UHFFFAOYSA-N 0 0 324.424 3.994 50 0 DHAARN O=C(Cn1cc(-c2ccccc2)cn1)NC1CCCCCCC1 ZINC000065948090 563918566 /nfs/dbraw/zinc/91/85/66/563918566.db2.gz YUSCRIACNVAIGD-UHFFFAOYSA-N 0 0 311.429 3.779 50 0 DHAARN COCc1ccc(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)o1 ZINC000194980813 563918842 /nfs/dbraw/zinc/91/88/42/563918842.db2.gz VJTLHTNKRHWIIX-JTQLQIEISA-N 0 0 321.760 3.507 50 0 DHAARN Cc1cccc(NC(=O)N(C)CCCc2nc3ccccc3[nH]2)c1 ZINC000065982770 563918950 /nfs/dbraw/zinc/91/89/50/563918950.db2.gz QPPXMFMURNYHHF-UHFFFAOYSA-N 0 0 322.412 3.968 50 0 DHAARN O=C(c1ccccc1C(F)(F)F)N1CCCc2ncccc21 ZINC000298118528 563919639 /nfs/dbraw/zinc/91/96/39/563919639.db2.gz SMESTKBGQBSVHQ-UHFFFAOYSA-N 0 0 306.287 3.693 50 0 DHAARN O=C(CCOCC(F)F)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000195579846 563919732 /nfs/dbraw/zinc/91/97/32/563919732.db2.gz IOJBGTLEQDPSNI-MAUKXSAKSA-N 0 0 323.383 3.586 50 0 DHAARN C[S@](=O)Cc1cc(NCc2ccccc2F)ccc1Cl ZINC000195559089 563919739 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/nfs/dbraw/zinc/94/00/19/563940019.db2.gz DXTZDLYTDBVPHR-WOOFSFRISA-N 0 0 303.402 3.621 50 0 DHAARN CC(C)c1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000002649830 563940063 /nfs/dbraw/zinc/94/00/63/563940063.db2.gz CIIGDULSVYGBRQ-HUUCEWRRSA-N 0 0 317.429 3.756 50 0 DHAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)nc1 ZINC000002646065 563940133 /nfs/dbraw/zinc/94/01/33/563940133.db2.gz WLEUPZDRLSIYAE-UHFFFAOYSA-N 0 0 307.737 3.736 50 0 DHAARN O=C(Nc1nnc(-c2ccccc2)o1)Nc1ccc(F)cc1F ZINC000002663430 563940180 /nfs/dbraw/zinc/94/01/80/563940180.db2.gz NIEKNKQCMWGFLA-UHFFFAOYSA-N 0 0 316.267 3.659 50 0 DHAARN COc1ccc2nc(NC(=O)c3ccc(Cl)nc3)sc2c1 ZINC000002658146 563940298 /nfs/dbraw/zinc/94/02/98/563940298.db2.gz KSQHQSMPPFKIBT-UHFFFAOYSA-N 0 0 319.773 3.606 50 0 DHAARN Clc1ccc2nc(CSc3nnc(C4CC4)o3)cn2c1 ZINC000002659414 563940315 /nfs/dbraw/zinc/94/03/15/563940315.db2.gz VBLHSYGMXVQODE-UHFFFAOYSA-N 0 0 306.778 3.540 50 0 DHAARN CC(C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21 ZINC000002721282 563940458 /nfs/dbraw/zinc/94/04/58/563940458.db2.gz SMHIWFPTLXRTHC-UHFFFAOYSA-N 0 0 307.397 3.622 50 0 DHAARN Cc1cccc(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1 ZINC000002800451 563940866 /nfs/dbraw/zinc/94/08/66/563940866.db2.gz BKTNQLOFGKXANH-UHFFFAOYSA-N 0 0 309.344 3.631 50 0 DHAARN O=C(NCc1ccccc1Br)Nc1cccs1 ZINC000002908184 563941128 /nfs/dbraw/zinc/94/11/28/563941128.db2.gz BRVRVGRWSPAXCC-UHFFFAOYSA-N 0 0 311.204 3.832 50 0 DHAARN COCc1cccc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)c1 ZINC000226754359 563941272 /nfs/dbraw/zinc/94/12/72/563941272.db2.gz NVLUXZVRVHLDAX-UHFFFAOYSA-N 0 0 321.380 3.579 50 0 DHAARN Cc1c(C(=O)N[C@H](C)c2ccccc2)cnn1-c1cccc(C)c1 ZINC000029462749 563941314 /nfs/dbraw/zinc/94/13/14/563941314.db2.gz CDWXKHYQVOSJFO-OAHLLOKOSA-N 0 0 319.408 3.980 50 0 DHAARN Cc1ccc(NC(=O)CCCn2cc(-c3ccccc3)cn2)nc1 ZINC000227165316 563941514 /nfs/dbraw/zinc/94/15/14/563941514.db2.gz IRALFLSQJMQZOW-UHFFFAOYSA-N 0 0 320.396 3.672 50 0 DHAARN CC(C)N(C(=O)c1cnc2c(cnn2C(C)C)c1)C1CCCC1 ZINC000057749395 563942653 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ZINC000031864590 563944988 /nfs/dbraw/zinc/94/49/88/563944988.db2.gz FXNMFAFMEOPEFJ-RYUDHWBXSA-N 0 0 315.442 3.632 50 0 DHAARN CC(C)(C)c1cc(-c2nn3c(nnc3-c3ccccc3)s2)n[nH]1 ZINC000031811300 563945003 /nfs/dbraw/zinc/94/50/03/563945003.db2.gz UTZYHANUNGGZJD-UHFFFAOYSA-N 0 0 324.413 3.540 50 0 DHAARN O=c1[nH]cnc2c3c4c(c(C5CCCCC5)nc3oc21)CCC4 ZINC000031810975 563945019 /nfs/dbraw/zinc/94/50/19/563945019.db2.gz JMLCYRQBHUWREA-UHFFFAOYSA-N 0 0 309.369 3.601 50 0 DHAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2NC=O ZINC000004028048 563945029 /nfs/dbraw/zinc/94/50/29/563945029.db2.gz YFIVNBTYXVUCHU-UXXFXACISA-N 0 0 319.489 3.505 50 0 biogenic DHAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(F)cc1 ZINC000032027854 563945167 /nfs/dbraw/zinc/94/51/67/563945167.db2.gz ARLRHRGKORQKCA-UHFFFAOYSA-N 0 0 309.300 3.660 50 0 DHAARN Cc1ccc(C(=O)Nc2cccc(Oc3ncccn3)c2)s1 ZINC000032027846 563945202 /nfs/dbraw/zinc/94/52/02/563945202.db2.gz ZFDWEXBZOKNASD-UHFFFAOYSA-N 0 0 311.366 3.891 50 0 DHAARN Cc1ccc(OCCC(=O)Nc2cc(F)cc(F)c2)c(C)c1 ZINC000032424733 563945753 /nfs/dbraw/zinc/94/57/53/563945753.db2.gz SMDZIWUABBLRQK-UHFFFAOYSA-N 0 0 305.324 3.989 50 0 DHAARN O=C(CC1CCCCC1)Nc1ccnn1Cc1cccs1 ZINC000007985424 563945970 /nfs/dbraw/zinc/94/59/70/563945970.db2.gz UUHDDIGPFNVFHF-UHFFFAOYSA-N 0 0 303.431 3.902 50 0 DHAARN CN(C)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000007989508 563946066 /nfs/dbraw/zinc/94/60/66/563946066.db2.gz PLFUFSKQWGHIBI-UHFFFAOYSA-N 0 0 321.424 3.527 50 0 DHAARN CC(C)Oc1ccc(C(=O)OCCOc2ccccc2F)cc1 ZINC000008036316 563946339 /nfs/dbraw/zinc/94/63/39/563946339.db2.gz KPHNJFDNEBPGCH-UHFFFAOYSA-N 0 0 318.344 3.849 50 0 DHAARN Clc1ccccc1C[C@@H]1CCCN1Cc1noc(C2CC2)n1 ZINC000066425257 563946458 /nfs/dbraw/zinc/94/64/58/563946458.db2.gz OXMUFUNOPPXXTA-AWEZNQCLSA-N 0 0 317.820 3.808 50 0 DHAARN CCCCCOc1ccc(C(=O)CCC(=O)N2CCCC2)cc1 ZINC000008076037 563946585 /nfs/dbraw/zinc/94/65/85/563946585.db2.gz KGYLTNRSHPXPID-UHFFFAOYSA-N 0 0 317.429 3.841 50 0 DHAARN COC(=O)Nc1cc(NC(=O)c2ccc(C)cc2C)ccc1F ZINC000066489480 563946639 /nfs/dbraw/zinc/94/66/39/563946639.db2.gz BWZPIEUCDQYOAF-UHFFFAOYSA-N 0 0 316.332 3.873 50 0 DHAARN Cc1occc1-c1nnc(Sc2ncnc3sccc32)o1 ZINC000008156665 563947008 /nfs/dbraw/zinc/94/70/08/563947008.db2.gz KVISIJHMGOGCTQ-UHFFFAOYSA-N 0 0 316.367 3.794 50 0 DHAARN Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)no1 ZINC000066602266 563947176 /nfs/dbraw/zinc/94/71/76/563947176.db2.gz SHILLPQVQJJKQL-UHFFFAOYSA-N 0 0 310.275 3.672 50 0 DHAARN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)ccc1F ZINC000008267146 563947348 /nfs/dbraw/zinc/94/73/48/563947348.db2.gz UFXUJLFVHSBNKX-CHWSQXEVSA-N 0 0 324.827 3.930 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)no1 ZINC000008280416 563947566 /nfs/dbraw/zinc/94/75/66/563947566.db2.gz BRCIKPYDXIIIFQ-UHFFFAOYSA-N 0 0 324.365 3.612 50 0 DHAARN O=C(C1CCCCC1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066772255 563947570 /nfs/dbraw/zinc/94/75/70/563947570.db2.gz UGGVENYDMLNESC-INIZCTEOSA-N 0 0 315.413 3.702 50 0 DHAARN C[C@H]1C(=O)Nc2ccc(-c3csc(-c4ccccn4)n3)cc21 ZINC000008297235 563947571 /nfs/dbraw/zinc/94/75/71/563947571.db2.gz HSSMDPLMYLYIGW-SNVBAGLBSA-N 0 0 307.378 3.928 50 0 DHAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(F)cc1F ZINC000008320416 563947948 /nfs/dbraw/zinc/94/79/48/563947948.db2.gz LSZBISJNCIXSDX-AWEZNQCLSA-N 0 0 322.380 3.802 50 0 DHAARN O=C(NCc1ccccc1F)c1csc(-c2ccccc2)n1 ZINC000008331305 563948003 /nfs/dbraw/zinc/94/80/03/563948003.db2.gz LQDWBPPPWYMMDK-UHFFFAOYSA-N 0 0 312.369 3.879 50 0 DHAARN O=C(c1ccc(-n2cccn2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008340789 563948010 /nfs/dbraw/zinc/94/80/10/563948010.db2.gz COWOELBGZXKGSO-DOTOQJQBSA-N 0 0 309.413 3.525 50 0 DHAARN O=C(NCc1cccnc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066898233 563948100 /nfs/dbraw/zinc/94/81/00/563948100.db2.gz KCNLBBWEXHURKK-GOSISDBHSA-N 0 0 309.413 3.561 50 0 DHAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000263580897 563948299 /nfs/dbraw/zinc/94/82/99/563948299.db2.gz WLIMUDLWLHVPMK-KRWDZBQOSA-N 0 0 311.381 3.918 50 0 DHAARN c1csc(-c2nc(COc3ncnc4ccccc43)co2)c1 ZINC000008391026 563948453 /nfs/dbraw/zinc/94/84/53/563948453.db2.gz ZUGRNSTVEDMBHX-UHFFFAOYSA-N 0 0 309.350 3.925 50 0 DHAARN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067052782 563948514 /nfs/dbraw/zinc/94/85/14/563948514.db2.gz REIQLSUTOZDVPO-MSOLQXFVSA-N 0 0 321.355 3.754 50 0 DHAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)cc1F)c1ccccc1O2 ZINC000067225319 563948856 /nfs/dbraw/zinc/94/88/56/563948856.db2.gz AUVZNFLTIBDCHF-CXAGYDPISA-N 0 0 316.307 3.734 50 0 DHAARN COc1cc(-c2n[nH]c(=S)n2C2CC2)ccc1OC(F)F ZINC000008470982 563948893 /nfs/dbraw/zinc/94/88/93/563948893.db2.gz HXCMXYGMODKWJP-UHFFFAOYSA-N 0 0 313.329 3.553 50 0 DHAARN Cc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)o1 ZINC000008586621 563949124 /nfs/dbraw/zinc/94/91/24/563949124.db2.gz QTTUFQUKFHENTK-UHFFFAOYSA-N 0 0 310.328 3.969 50 0 DHAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1n[nH]cc1Cl ZINC000008566506 563949238 /nfs/dbraw/zinc/94/92/38/563949238.db2.gz HGLWLJUTKASSPE-UHFFFAOYSA-N 0 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ZINC000113040886 568415666 /nfs/dbraw/zinc/41/56/66/568415666.db2.gz PZYDRZYGTWFHKA-AWEZNQCLSA-N 0 0 322.389 3.925 50 0 DHAARN O=C(CCSCCc1ccccn1)NC1CCCCCC1 ZINC000003062167 568416827 /nfs/dbraw/zinc/41/68/27/568416827.db2.gz FPBSDQNPJDMRLT-UHFFFAOYSA-N 0 0 306.475 3.586 50 0 DHAARN Cc1ncc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)s1 ZINC000078182259 568417581 /nfs/dbraw/zinc/41/75/81/568417581.db2.gz JDYYOXWRIYUKAL-JSGCOSHPSA-N 0 0 300.427 3.778 50 0 DHAARN C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000012746305 568417686 /nfs/dbraw/zinc/41/76/86/568417686.db2.gz SQTFIGYMCQPMPV-CYBMUJFWSA-N 0 0 302.805 3.943 50 0 DHAARN Cc1ccc2oc(=O)c(-c3nc(-c4ccc(F)cc4)no3)cc2c1 ZINC000012879943 568418022 /nfs/dbraw/zinc/41/80/22/568418022.db2.gz IXXOQKIEXFUPPQ-UHFFFAOYSA-N 0 0 322.295 3.958 50 0 DHAARN CC(C)C[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)n1cccc1 ZINC000575443331 568418131 /nfs/dbraw/zinc/41/81/31/568418131.db2.gz LOPUMQCIXSEORH-YOEHRIQHSA-N 0 0 324.428 3.829 50 0 DHAARN CCn1cc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cn1 ZINC000089305732 568418728 /nfs/dbraw/zinc/41/87/28/568418728.db2.gz OLYYRXKDIKMNKU-LBPRGKRZSA-N 0 0 320.462 3.625 50 0 DHAARN CCCOc1ccc(S(=O)(=O)NCC(C)C)c2ccccc12 ZINC000036638888 568419242 /nfs/dbraw/zinc/41/92/42/568419242.db2.gz MBXSGPRINSMZMZ-UHFFFAOYSA-N 0 0 321.442 3.563 50 0 DHAARN O=C(N[C@H]1CCC[C@@H]1n1ccnc1)c1csc2ccccc12 ZINC000071795573 568419801 /nfs/dbraw/zinc/41/98/01/568419801.db2.gz IYUAAEWCLHNWJX-GJZGRUSLSA-N 0 0 311.410 3.621 50 0 DHAARN O=C(N[C@@H]1CCC[C@H]1n1ccnc1)c1csc2ccccc12 ZINC000071795574 568419870 /nfs/dbraw/zinc/41/98/70/568419870.db2.gz IYUAAEWCLHNWJX-HUUCEWRRSA-N 0 0 311.410 3.621 50 0 DHAARN C[C@@H](SCc1cccc(C(F)(F)F)c1)C(=O)NC1CC1 ZINC000071818588 568419889 /nfs/dbraw/zinc/41/98/89/568419889.db2.gz XNGRINPLAGCLOP-SECBINFHSA-N 0 0 303.349 3.606 50 0 DHAARN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000054666727 568421030 /nfs/dbraw/zinc/42/10/30/568421030.db2.gz DQTDIPIOMVOPFT-YJBOKZPZSA-N 0 0 323.440 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SDNFRTNUCBDZIX-WCQYABFASA-N 0 0 306.381 3.544 50 0 DHAARN O=C(Nc1csc(-c2ccncc2)n1)c1ccc(F)cc1F ZINC000185448000 1015425021 /nfs/dbraw/zinc/42/50/21/1015425021.db2.gz VNODLXIWHPIKFI-UHFFFAOYSA-N 0 0 317.320 3.736 50 0 DHAARN O=C(Nc1ccncn1)N1CCC[C@H]1CCC1CCCCC1 ZINC000194198077 1015894548 /nfs/dbraw/zinc/89/45/48/1015894548.db2.gz RYTZRUYBJJQMSY-HNNXBMFYSA-N 0 0 302.422 3.833 50 0 DHAARN c1cnc(SCCCCOc2ccc3c(c2)CCC3)nc1 ZINC000002845071 1016691210 /nfs/dbraw/zinc/69/12/10/1016691210.db2.gz HRCVGLOOQHMLJZ-UHFFFAOYSA-N 0 0 300.427 3.917 50 0 DHAARN Cc1nc(CN[C@@H](C)c2nc(C3CCCC3)no2)sc1C ZINC000185294582 1016831263 /nfs/dbraw/zinc/83/12/63/1016831263.db2.gz KXEQOLPNZIILDT-JTQLQIEISA-N 0 0 306.435 3.651 50 0 DHAARN C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccccc1F ZINC000177507216 1017104045 /nfs/dbraw/zinc/10/40/45/1017104045.db2.gz OFXPQEXMPORHAY-JTQLQIEISA-N 0 0 311.378 3.646 50 0 DHAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)/C=C\c2cccs2)c1 ZINC000103413544 1012757463 /nfs/dbraw/zinc/75/74/63/1012757463.db2.gz YQEMGVVRCAQHKU-JLVNDZCYSA-N 0 0 314.410 3.597 50 0 DHAARN CCC(CC)(C(=O)N1CC[C@H](OC(F)F)C1)c1ccccc1 ZINC000952845319 1032663016 /nfs/dbraw/zinc/66/30/16/1032663016.db2.gz SGYRVGVZSZDFBY-AWEZNQCLSA-N 0 0 311.372 3.585 50 0 DHAARN CCn1cnnc1[C@H](C)NCc1ccc(C2CCCC2)s1 ZINC000952869008 1032664972 /nfs/dbraw/zinc/66/49/72/1032664972.db2.gz KERMXVLHBRIEAS-LBPRGKRZSA-N 0 0 304.463 3.868 50 0 DHAARN Cc1cc2cc(NC(=O)CCC(=O)NC3CCCC3)ccc2o1 ZINC000952868707 1032666034 /nfs/dbraw/zinc/66/60/34/1032666034.db2.gz ROXVRCUVEZTMGR-UHFFFAOYSA-N 0 0 314.385 3.519 50 0 DHAARN C[S@](=N)(=O)c1ccc(NCc2cnc(C3CC3)s2)cc1 ZINC000952880442 1032667454 /nfs/dbraw/zinc/66/74/54/1032667454.db2.gz DBVZAVCCFDJMMZ-FQEVSTJZSA-N 0 0 307.444 3.668 50 0 DHAARN CCn1c(C)cc2cc(NC(=O)[C@H]3CC(C(C)C)=NO3)ccc21 ZINC000952869566 1032667733 /nfs/dbraw/zinc/66/77/33/1032667733.db2.gz JPWGXUPPAGIPRU-QGZVFWFLSA-N 0 0 313.401 3.709 50 0 DHAARN COc1ccccc1C(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000952963474 1032671172 /nfs/dbraw/zinc/67/11/72/1032671172.db2.gz TXHUAUYZYQMLRK-UHFFFAOYSA-N 0 0 314.724 3.686 50 0 DHAARN CCN(CC)C(=S)SCc1c[nH]c(=O)c2ccccc12 ZINC000952884221 1032672776 /nfs/dbraw/zinc/67/27/76/1032672776.db2.gz WBXXROPQUUYALZ-UHFFFAOYSA-N 0 0 306.456 3.800 50 0 DHAARN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CCCCC2)[nH]c1C ZINC000952992395 1032677979 /nfs/dbraw/zinc/67/79/79/1032677979.db2.gz LYBNIBAEBAGJPN-BBWFWOEESA-N 0 0 315.461 3.906 50 0 DHAARN O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccccn1 ZINC000044442498 1013044484 /nfs/dbraw/zinc/04/44/84/1013044484.db2.gz AHUOHWOPLLDQAB-UHFFFAOYSA-N 0 0 318.376 3.591 50 0 DHAARN CCCC[C@@H]1C=CCN1C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000952979790 1032680076 /nfs/dbraw/zinc/68/00/76/1032680076.db2.gz AJVUWWNEOBREMF-CYBMUJFWSA-N 0 0 301.415 3.709 50 0 DHAARN Cc1ccc(NC2(C(=O)N3CCSCC3)CCCCC2)cc1 ZINC000952966858 1032680124 /nfs/dbraw/zinc/68/01/24/1032680124.db2.gz XDNDXWNKSWIJJW-UHFFFAOYSA-N 0 0 318.486 3.685 50 0 DHAARN COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)CC(C)C)CC2 ZINC000952993308 1032681047 /nfs/dbraw/zinc/68/10/47/1032681047.db2.gz WSFLMQAYUGLBCR-LJQANCHMSA-N 0 0 317.429 3.586 50 0 DHAARN Clc1ccnc(CN2CCCC[C@H]2c2cc[nH]n2)c1Cl ZINC000952993833 1032682496 /nfs/dbraw/zinc/68/24/96/1032682496.db2.gz KTSNJPHZSFVFBE-ZDUSSCGKSA-N 0 0 311.216 3.839 50 0 DHAARN COc1ccc(Cl)cc1-c1ccc(C(C)(C)C(N)=O)cc1 ZINC000952983997 1032682949 /nfs/dbraw/zinc/68/29/49/1032682949.db2.gz SWLMEHHXTQOCHT-UHFFFAOYSA-N 0 0 303.789 3.779 50 0 DHAARN O=C(c1ccco1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000035281448 1017191615 /nfs/dbraw/zinc/19/16/15/1017191615.db2.gz RDQHRGGNPABBMH-AWEZNQCLSA-N 0 0 323.352 3.697 50 0 DHAARN Cc1ccc(C2(c3noc(CN4CCCC4)n3)CCCC2)cc1 ZINC000012479613 1017899000 /nfs/dbraw/zinc/89/90/00/1017899000.db2.gz MHXAYWVECCYVSP-UHFFFAOYSA-N 0 0 311.429 3.834 50 0 DHAARN O=C(c1cccc(=O)[nH]1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000606442121 1019541280 /nfs/dbraw/zinc/54/12/80/1019541280.db2.gz USOLONVMFCZWLR-NJWFCXLTSA-N 0 0 322.408 3.885 50 0 DHAARN COc1cc2nc(=S)[nH]c(NCc3ccco3)c2cc1OC ZINC000000429297 1019544108 /nfs/dbraw/zinc/54/41/08/1019544108.db2.gz RJSQEFBWTUXUFV-UHFFFAOYSA-N 0 0 317.370 3.515 50 0 DHAARN c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000011938309 1019583370 /nfs/dbraw/zinc/58/33/70/1019583370.db2.gz GJXJVOSDBNDJTB-SFHVURJKSA-N 0 0 324.424 3.534 50 0 DHAARN Cc1oc(-c2ccco2)nc1CN(C)[C@H](C)c1nccs1 ZINC000012112101 1019884602 /nfs/dbraw/zinc/88/46/02/1019884602.db2.gz HISUFIZNUNWXLA-SNVBAGLBSA-N 0 0 303.387 3.893 50 0 DHAARN O=C(CCOc1ccccc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000012436020 1019945557 /nfs/dbraw/zinc/94/55/57/1019945557.db2.gz VYOGKTVSNIVHBQ-SFHVURJKSA-N 0 0 324.424 3.559 50 0 DHAARN c1ccc(CNc2nncc(-c3ccc4ccccc4c3)n2)nc1 ZINC000012314010 1020054254 /nfs/dbraw/zinc/05/42/54/1020054254.db2.gz QFVKHZDIVMVMEH-UHFFFAOYSA-N 0 0 313.364 3.699 50 0 DHAARN CC(C)(CCC(=O)NC1CCCCC1)C(=O)NC1CCCCC1 ZINC000001022360 1020092043 /nfs/dbraw/zinc/09/20/43/1020092043.db2.gz 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311.429 3.673 50 0 DHAARN O=C(/C=C/c1ccco1)OCc1ccc(Br)cc1 ZINC000003239857 1025652482 /nfs/dbraw/zinc/65/24/82/1025652482.db2.gz YARUDLJRVCSJCG-BQYQJAHWSA-N 0 0 307.143 3.799 50 0 DHAARN CSCc1noc(CN2CC[C@H](c3ccccc3Cl)C2)n1 ZINC000244574839 1025705818 /nfs/dbraw/zinc/70/58/18/1025705818.db2.gz CSDSQJHKIMGGMW-NSHDSACASA-N 0 0 323.849 3.576 50 0 DHAARN CSCc1noc(CN2CC[C@@H](c3ccccc3Cl)C2)n1 ZINC000244574838 1025707145 /nfs/dbraw/zinc/70/71/45/1025707145.db2.gz CSDSQJHKIMGGMW-LLVKDONJSA-N 0 0 323.849 3.576 50 0 DHAARN CCOc1ccc([C@@H]2CCCN2c2ncnc3onc(C)c32)cc1 ZINC000195506549 1025759384 /nfs/dbraw/zinc/75/93/84/1025759384.db2.gz ZWMKSOBIGXQCDK-HNNXBMFYSA-N 0 0 324.384 3.666 50 0 DHAARN CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cnn(C(C)C)c2)C1 ZINC000089274952 1026024165 /nfs/dbraw/zinc/02/41/65/1026024165.db2.gz VYEHNSDSYDAXRM-UONOGXRCSA-N 0 0 310.467 3.602 50 0 DHAARN Cc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000000935807 1026149203 /nfs/dbraw/zinc/14/92/03/1026149203.db2.gz 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COc1cccc(Cn2cc(NC(=O)C(C)(C)C)cn2)c1Cl ZINC000585097914 1029740704 /nfs/dbraw/zinc/74/07/04/1029740704.db2.gz CERRCJZKOQUAJT-UHFFFAOYSA-N 0 0 321.808 3.578 50 0 DHAARN CCOC1(CSc2nnc(-c3cccs3)n2C)CCC1 ZINC000585119014 1029785149 /nfs/dbraw/zinc/78/51/49/1029785149.db2.gz MQUBVIJNCQHXJX-UHFFFAOYSA-N 0 0 309.460 3.595 50 0 DHAARN CCOP(=O)(OCC)OCCSc1cccc(O)c1 ZINC000585119269 1029785397 /nfs/dbraw/zinc/78/53/97/1029785397.db2.gz ZSSGCLYWXZCINS-UHFFFAOYSA-N 0 0 306.320 3.682 50 0 DHAARN CO[C@@H](C)CNc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000585117408 1029786420 /nfs/dbraw/zinc/78/64/20/1029786420.db2.gz BKIHDHXCVVFJDY-AWEZNQCLSA-N 0 0 305.422 3.541 50 0 DHAARN Cc1noc(C)c1NC(=O)NC1(C(F)(F)F)CCCCC1 ZINC000585119974 1029792083 /nfs/dbraw/zinc/79/20/83/1029792083.db2.gz DEXKQEGPMNAHBT-UHFFFAOYSA-N 0 0 305.300 3.678 50 0 DHAARN C[C@H]1C[C@H](C(=O)N2CCC(c3ncco3)CC2)CC(C)(C)C1 ZINC000585123797 1029797161 /nfs/dbraw/zinc/79/71/61/1029797161.db2.gz RDPZLBBIIFNWBE-ZFWWWQNUSA-N 0 0 304.434 3.843 50 0 DHAARN C[C@@H]1C[C@@H](C(=O)N2CCC(c3ncco3)CC2)CC(C)(C)C1 ZINC000585123796 1029797809 /nfs/dbraw/zinc/79/78/09/1029797809.db2.gz RDPZLBBIIFNWBE-UKRRQHHQSA-N 0 0 304.434 3.843 50 0 DHAARN C[C@H](CC(=O)Nc1c[nH]nc1C1CC1)Cc1cccc(F)c1 ZINC000585127256 1029812570 /nfs/dbraw/zinc/81/25/70/1029812570.db2.gz VIXRQWOHWOAZHB-NSHDSACASA-N 0 0 301.365 3.634 50 0 DHAARN CC(C)c1ncncc1-c1nc([C@@H]2CCO[C@H]2C(C)(C)C)no1 ZINC000585133873 1029821278 /nfs/dbraw/zinc/82/12/78/1029821278.db2.gz YLLLSVOHYGTTNA-BXUZGUMPSA-N 0 0 316.405 3.569 50 0 DHAARN c1ccc2c(c1)CN[C@@H](c1cccnc1)C(=NC1CCCCC1)N2 ZINC000075567287 1030980057 /nfs/dbraw/zinc/98/00/57/1030980057.db2.gz VRZKKXIVYVVMHD-IBGZPJMESA-N 0 0 320.440 3.878 50 0 DHAARN CCCOc1ccc(/C=C\C(=O)NC2CCCCC2)cc1OC ZINC000006073339 1033361235 /nfs/dbraw/zinc/36/12/35/1033361235.db2.gz XTWCXGBDUZYTIA-BENRWUELSA-N 0 0 317.429 3.946 50 0 DHAARN CC1CCC([NH2+]Cc2c3ccccc3n(C)c2C(=O)[O-])CC1 ZINC000006919876 1035008172 /nfs/dbraw/zinc/00/81/72/1035008172.db2.gz ZHJJBAUAWQHLMD-UHFFFAOYSA-N 0 0 300.402 3.545 50 0 DHAARN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000006919593 1035008229 /nfs/dbraw/zinc/00/82/29/1035008229.db2.gz GJZPAMKOINAXMU-UHFFFAOYSA-N 0 0 301.411 3.539 50 0 DHAARN COc1ccc(CCC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000007107146 1035288545 /nfs/dbraw/zinc/28/85/45/1035288545.db2.gz WKHXWTKIGUFGHW-UHFFFAOYSA-N 0 0 324.424 3.867 50 0 DHAARN COc1ccc(C=NNc2ccccc2C(F)(F)F)cc1O ZINC000254382844 1035914273 /nfs/dbraw/zinc/91/42/73/1035914273.db2.gz IPTKQTPEAUHNMV-UHFFFAOYSA-N 0 0 310.275 3.866 50 0 DHAARN COc1ccc(-c2nnc3ccc(Cl)cn32)cc1OC(C)C ZINC000032578243 1036235743 /nfs/dbraw/zinc/23/57/43/1036235743.db2.gz UCRYZPJPAJVSKE-UHFFFAOYSA-N 0 0 317.776 3.846 50 0 DHAARN Cc1noc(-c2cccnc2NCc2ccccc2OC(C)C)n1 ZINC000174695343 1036260601 /nfs/dbraw/zinc/26/06/01/1036260601.db2.gz NYBWDRPFNAUTSZ-UHFFFAOYSA-N 0 0 324.384 3.839 50 0 DHAARN Cc1cc(C)nc(N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000045026840 1038252058 /nfs/dbraw/zinc/25/20/58/1038252058.db2.gz XNSZUSGZMYINLR-ZDUSSCGKSA-N 0 0 310.401 3.615 50 0 DHAARN C[C@H](c1nc(Cc2ccccc2)no1)N1CCc2ccccc2C1 ZINC000158179885 1039086878 /nfs/dbraw/zinc/08/68/78/1039086878.db2.gz IYFPSSBVJKFLCM-OAHLLOKOSA-N 0 0 319.408 3.780 50 0 DHAARN CN(CC1(C)CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000169750856 1040863079 /nfs/dbraw/zinc/86/30/79/1040863079.db2.gz XEURJSYHMYJWTP-UHFFFAOYSA-N 0 0 315.335 3.594 50 0 DHAARN CCCN(C[C@H]1CCOC1)C(=O)Nc1ccc(Cl)cc1C ZINC000169763749 1040872596 /nfs/dbraw/zinc/87/25/96/1040872596.db2.gz IMIQRKFVVGTFSD-CYBMUJFWSA-N 0 0 310.825 3.929 50 0 DHAARN Cc1csc([C@@H](NC(=O)N(C)Cc2ccccc2)C2CC2)n1 ZINC000074666777 185007128 /nfs/dbraw/zinc/00/71/28/185007128.db2.gz VXQJTAIBHSCFNJ-HNNXBMFYSA-N 0 0 315.442 3.744 50 0 DHAARN COc1ccc2c(c1)c(C(=O)Nc1ccc3[nH]ccc3c1)cn2C ZINC000095480441 185373591 /nfs/dbraw/zinc/37/35/91/185373591.db2.gz FJGZJBXWDNMYKS-UHFFFAOYSA-N 0 0 319.364 3.921 50 0 DHAARN Cc1nc([C@@H](C)N(C)c2nc3c(s2)c(C)nn3C)c(C)s1 ZINC000095503583 185375233 /nfs/dbraw/zinc/37/52/33/185375233.db2.gz WMOINEAHZQGQJB-MRVPVSSYSA-N 0 0 321.475 3.609 50 0 DHAARN Cn1ccnc1[C@@H](NC(=O)Nc1cccc2c1CCCC2)C1CC1 ZINC000095508045 185375843 /nfs/dbraw/zinc/37/58/43/185375843.db2.gz IAYOGQKSNXXBAR-KRWDZBQOSA-N 0 0 324.428 3.572 50 0 DHAARN C[C@]1(C2CC2)CC(=O)N(Cc2cc(F)ccc2C(F)(F)F)C1 ZINC000095526290 185377978 /nfs/dbraw/zinc/37/79/78/185377978.db2.gz MLBVXMAPRTWQGA-HNNXBMFYSA-N 0 0 315.310 3.993 50 0 DHAARN CCc1nccn1CCNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000095525626 185377986 /nfs/dbraw/zinc/37/79/86/185377986.db2.gz SCYNEUCFFWFZDB-UHFFFAOYSA-N 0 0 314.433 3.565 50 0 DHAARN CCN(CCn1cccn1)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000095530531 185378674 /nfs/dbraw/zinc/37/86/74/185378674.db2.gz MONKKGIDFLVPIM-UHFFFAOYSA-N 0 0 324.787 3.538 50 0 DHAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C)c1OC ZINC000095529420 185378904 /nfs/dbraw/zinc/37/89/04/185378904.db2.gz AAWATGOYNNFEKV-IBGZPJMESA-N 0 0 322.408 3.762 50 0 DHAARN FC(F)(F)c1cc(Br)nc(Br)c1 ZINC000095829867 185384165 /nfs/dbraw/zinc/38/41/65/185384165.db2.gz UYZOWFBHUSJQPJ-UHFFFAOYSA-N 0 0 304.891 3.625 50 0 DHAARN O=S(=O)(/C=C\c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000096730944 185385963 /nfs/dbraw/zinc/38/59/63/185385963.db2.gz MVOJHBQEGYMADK-HWOXTHGCSA-N 0 0 313.422 3.654 50 0 DHAARN COc1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1Cl ZINC000096747900 185386092 /nfs/dbraw/zinc/38/60/92/185386092.db2.gz JURNFRDATBKKDC-KTKRTIGZSA-N 0 0 323.801 3.761 50 0 DHAARN C[C@H](c1cccs1)N(C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000078813689 185113749 /nfs/dbraw/zinc/11/37/49/185113749.db2.gz PGVLDEHWDCLHAV-CJNGLKHVSA-N 0 0 315.438 3.972 50 0 DHAARN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000078883129 185122761 /nfs/dbraw/zinc/12/27/61/185122761.db2.gz MBQUHLSRVOYWDI-CHWSQXEVSA-N 0 0 323.318 3.788 50 0 DHAARN Cc1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)n1 ZINC000078934289 185131171 /nfs/dbraw/zinc/13/11/71/185131171.db2.gz LOUVMELRCMHWRJ-HNNXBMFYSA-N 0 0 312.438 3.644 50 0 DHAARN CSc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)o1 ZINC000078996574 185143613 /nfs/dbraw/zinc/14/36/13/185143613.db2.gz RMSDLLWPPJLRPM-SWLSCSKDSA-N 0 0 317.410 3.604 50 0 DHAARN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cscn1 ZINC000079000969 185144672 /nfs/dbraw/zinc/14/46/72/185144672.db2.gz VTUGKDRUCPQLMO-UHFFFAOYSA-N 0 0 323.421 3.689 50 0 DHAARN C[C@H](NC(=O)N(C)Cc1ccco1)c1csc(C2CC2)n1 ZINC000079036690 185148036 /nfs/dbraw/zinc/14/80/36/185148036.db2.gz GMKLDFIHRISMFM-JTQLQIEISA-N 0 0 305.403 3.516 50 0 DHAARN Cc1nc(CCC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cs1 ZINC000079039103 185148092 /nfs/dbraw/zinc/14/80/92/185148092.db2.gz OLQNYRLIRQVDTB-LBPRGKRZSA-N 0 0 320.462 3.826 50 0 DHAARN CC(=O)c1c(C)nc(C)nc1SCc1ncc(C(C)C)o1 ZINC000079091539 185156945 /nfs/dbraw/zinc/15/69/45/185156945.db2.gz JSLIUZJAZHWGKM-UHFFFAOYSA-N 0 0 305.403 3.700 50 0 DHAARN Cc1cc(NC(=O)[C@@H](C)Sc2nc3cc(C)ccc3o2)on1 ZINC000079102477 185158514 /nfs/dbraw/zinc/15/85/14/185158514.db2.gz DAIHBGZGOUZCFR-SNVBAGLBSA-N 0 0 317.370 3.552 50 0 DHAARN CC(C)c1nc([C@@H](C)NC(=O)c2cnn(C(C)(C)C)c2)cs1 ZINC000079310802 185164514 /nfs/dbraw/zinc/16/45/14/185164514.db2.gz DIQLNFFAZWMQDB-LLVKDONJSA-N 0 0 320.462 3.709 50 0 DHAARN Cc1cc(=O)oc2c1ccc1c2[C@@H](c2ccccc2)CC(=O)O1 ZINC000079188654 185161226 /nfs/dbraw/zinc/16/12/26/185161226.db2.gz CVKZCYPNRMKDEP-CQSZACIVSA-N 0 0 306.317 3.542 50 0 biogenic DHAARN Cc1cc(=O)oc2c1ccc1c2[C@H](c2ccccc2)CC(=O)O1 ZINC000079188650 185161311 /nfs/dbraw/zinc/16/13/11/185161311.db2.gz CVKZCYPNRMKDEP-AWEZNQCLSA-N 0 0 306.317 3.542 50 0 biogenic DHAARN O=C(CCc1ccc2c(c1)CCO2)Nc1ccc2cc[nH]c2c1 ZINC000079190149 185161410 /nfs/dbraw/zinc/16/14/10/185161410.db2.gz AUZVNOCITQJZAA-UHFFFAOYSA-N 0 0 306.365 3.674 50 0 biogenic DHAARN Cc1cccnc1[C@H](NC(=O)CCc1ccsc1)C(C)C ZINC000079358240 185166981 /nfs/dbraw/zinc/16/69/81/185166981.db2.gz HSVCQJMDCSDNRI-MRXNPFEDSA-N 0 0 302.443 3.898 50 0 DHAARN C[S@](=O)Cc1cc(NC(=O)C[C@H]2C=CCC2)ccc1Cl ZINC000079361153 185167126 /nfs/dbraw/zinc/16/71/26/185167126.db2.gz SOYWLCMFAANCJG-PRWKNARSSA-N 0 0 311.834 3.513 50 0 DHAARN CCC(CC)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000079361030 185167191 /nfs/dbraw/zinc/16/71/91/185167191.db2.gz BODJALMZSGFOEX-LJQANCHMSA-N 0 0 301.839 3.593 50 0 DHAARN CC(C)n1cc(CC(=O)NCCc2ccccn2)c2ccccc21 ZINC000079486011 185173526 /nfs/dbraw/zinc/17/35/26/185173526.db2.gz LBUVKNBLUGLZPI-UHFFFAOYSA-N 0 0 321.424 3.519 50 0 DHAARN COCCC[C@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000082161010 185174210 /nfs/dbraw/zinc/17/42/10/185174210.db2.gz VNNGMSRETMKLAI-GFCCVEGCSA-N 0 0 313.800 3.758 50 0 DHAARN Cc1ccc(Oc2ccc(NC(=O)Cc3ccccc3)cc2)nn1 ZINC000082230423 185174262 /nfs/dbraw/zinc/17/42/62/185174262.db2.gz ZCOQAVNSLRZEHL-UHFFFAOYSA-N 0 0 319.364 3.759 50 0 DHAARN COc1ccc(C=CC(=O)Nc2cccc(C(C)=O)c2)cc1F ZINC000096891655 185390420 /nfs/dbraw/zinc/39/04/20/185390420.db2.gz MLBDRRBEAVGKMQ-CLFYSBASSA-N 0 0 313.328 3.689 50 0 DHAARN CN(Cc1ccccc1Br)C(=O)OC(C)(C)C ZINC000082608758 185191280 /nfs/dbraw/zinc/19/12/80/185191280.db2.gz MDLGVFLVTMLPLA-UHFFFAOYSA-N 0 0 300.196 3.816 50 0 DHAARN CCc1ccsc1CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000087464735 185225905 /nfs/dbraw/zinc/22/59/05/185225905.db2.gz ARSXHJVSEFVAOL-LSDHHAIUSA-N 0 0 303.402 3.870 50 0 DHAARN Cc1nc(C)c(C(=O)N2CC(C)(C)Sc3ccccc32)o1 ZINC000088241441 185243319 /nfs/dbraw/zinc/24/33/19/185243319.db2.gz OMLLJRWMXYQQPO-UHFFFAOYSA-N 0 0 302.399 3.823 50 0 DHAARN CCN(Cc1nc(C2CC2)no1)c1ccc(Br)cc1 ZINC000089969395 185272309 /nfs/dbraw/zinc/27/23/09/185272309.db2.gz KOECJOYHRMAHSO-UHFFFAOYSA-N 0 0 322.206 3.736 50 0 DHAARN COCCC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC000082083210 192354439 /nfs/dbraw/zinc/35/44/39/192354439.db2.gz KVHQXSWZTIXQOY-CQSZACIVSA-N 0 0 309.837 3.927 50 0 DHAARN O=C(Nc1ccccc1-c1ccccc1)c1cnn2c1OCCC2 ZINC000090583821 185305298 /nfs/dbraw/zinc/30/52/98/185305298.db2.gz ZMIJYLUGAAJNJU-UHFFFAOYSA-N 0 0 319.364 3.585 50 0 DHAARN O=C(NCCc1ccoc1)NC(c1ccccc1)c1ccccc1 ZINC000090607468 185306510 /nfs/dbraw/zinc/30/65/10/185306510.db2.gz OTNVGQDJULSODO-UHFFFAOYSA-N 0 0 320.392 3.911 50 0 DHAARN CC(=O)n1c2ccc(C)cc2nc1SCC(=O)c1ccccc1 ZINC000000389397 190613844 /nfs/dbraw/zinc/61/38/44/190613844.db2.gz SSVRNLGXVMCWIV-UHFFFAOYSA-N 0 0 324.405 3.980 50 0 DHAARN CCOc1ccc2c(c1)occ(Oc1cccc(OC)c1)c2=O ZINC000000490070 190614519 /nfs/dbraw/zinc/61/45/19/190614519.db2.gz YONGXMAHGLSXEO-UHFFFAOYSA-N 0 0 312.321 3.993 50 0 biogenic DHAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000000568342 190615426 /nfs/dbraw/zinc/61/54/26/190615426.db2.gz LOODLFDTQNWEFT-UHFFFAOYSA-N 0 0 310.136 3.974 50 0 DHAARN COc1cccc(C(=O)NCCSc2ccc(C)cc2)c1 ZINC000002937529 190616817 /nfs/dbraw/zinc/61/68/17/190616817.db2.gz YRKSKAUABDEESZ-UHFFFAOYSA-N 0 0 301.411 3.526 50 0 DHAARN CC(=O)Nc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000003398250 190617879 /nfs/dbraw/zinc/61/78/79/190617879.db2.gz FFZNXOQYQJJSLB-UHFFFAOYSA-N 0 0 320.392 3.575 50 0 DHAARN COc1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000006848845 190624466 /nfs/dbraw/zinc/62/44/66/190624466.db2.gz JJDAXAMSWOGQPG-UHFFFAOYSA-N 0 0 323.314 3.687 50 0 DHAARN COCCC[C@@H]1CCCN(C(=O)c2ccc3scnc3c2)C1 ZINC000082126635 192359537 /nfs/dbraw/zinc/35/95/37/192359537.db2.gz UHAGNAVYFHFMKC-ZDUSSCGKSA-N 0 0 318.442 3.575 50 0 DHAARN CC(C)C[C@H](O)C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1 ZINC000082120838 192359361 /nfs/dbraw/zinc/35/93/61/192359361.db2.gz KYVOSWUSEKELCI-KRWDZBQOSA-N 0 0 320.477 3.502 50 0 DHAARN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccccn1 ZINC000092868533 185347139 /nfs/dbraw/zinc/34/71/39/185347139.db2.gz JSAKYAVLQLDBPS-AWEZNQCLSA-N 0 0 313.405 3.571 50 0 DHAARN CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000095389023 185351159 /nfs/dbraw/zinc/35/11/59/185351159.db2.gz WKJVMCXQAPCFBP-ZDUSSCGKSA-N 0 0 303.431 3.545 50 0 DHAARN CC(C)(C)[C@H](CCO)NC(=O)Nc1ccccc1C(F)(F)F ZINC000095393406 185352145 /nfs/dbraw/zinc/35/21/45/185352145.db2.gz LEUUFDOSBRIDKK-LBPRGKRZSA-N 0 0 318.339 3.624 50 0 DHAARN Cc1ccc(C)c(OCCCCC(=O)Nc2ccncc2O)c1 ZINC000095394598 185352540 /nfs/dbraw/zinc/35/25/40/185352540.db2.gz MEQBJOVSJLGGMU-UHFFFAOYSA-N 0 0 314.385 3.592 50 0 DHAARN Cc1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)c2cccnc12 ZINC000095397445 185353331 /nfs/dbraw/zinc/35/33/31/185353331.db2.gz YFXKEFZCSLKUAB-CQSZACIVSA-N 0 0 323.352 3.635 50 0 DHAARN CC(C)[C@@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccncc1 ZINC000095398499 185353497 /nfs/dbraw/zinc/35/34/97/185353497.db2.gz DITYBNIWMMRVOK-NVXWUHKLSA-N 0 0 312.438 3.784 50 0 DHAARN O=C([C@@H]1SCCc2sccc21)N1CC[C@H](c2ccco2)C1 ZINC000095403542 185355198 /nfs/dbraw/zinc/35/51/98/185355198.db2.gz BQVLJUDQVWDOPC-XHDPSFHLSA-N 0 0 319.451 3.688 50 0 DHAARN CCc1noc(C)c1C(=O)N1CCC(=Cc2ccccc2)CC1 ZINC000095408085 185356568 /nfs/dbraw/zinc/35/65/68/185356568.db2.gz OTKOHPYBJTXBGY-UHFFFAOYSA-N 0 0 310.397 3.865 50 0 DHAARN Cc1nc(CSc2nc3ccccc3c(=O)[nH]2)sc1C ZINC000095410300 185357363 /nfs/dbraw/zinc/35/73/63/185357363.db2.gz AYTCTDMLRNQHAF-UHFFFAOYSA-N 0 0 303.412 3.701 50 0 DHAARN CSc1ccc(CNc2ccn(CCc3ccncc3)n2)cc1 ZINC000095415573 185358834 /nfs/dbraw/zinc/35/88/34/185358834.db2.gz IMVYATVSUOYJCD-UHFFFAOYSA-N 0 0 324.453 3.855 50 0 DHAARN CC(C)Cc1cnc(NC(=O)N(C)[C@@H](C)c2cccnc2)s1 ZINC000095416194 185359070 /nfs/dbraw/zinc/35/90/70/185359070.db2.gz LOIYJJAUMHCXOG-LBPRGKRZSA-N 0 0 318.446 3.962 50 0 DHAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSCc1ccon1 ZINC000095418063 185359416 /nfs/dbraw/zinc/35/94/16/185359416.db2.gz IBKMRBJLCCXOIU-LLVKDONJSA-N 0 0 324.833 3.781 50 0 DHAARN CC(C)(C)OC(=O)NCc1cccc(NCc2cscn2)c1 ZINC000095428807 185362250 /nfs/dbraw/zinc/36/22/50/185362250.db2.gz NXVMKTKLMINYEF-UHFFFAOYSA-N 0 0 319.430 3.780 50 0 DHAARN CC(C)C[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000095435788 185365043 /nfs/dbraw/zinc/36/50/43/185365043.db2.gz RANNXHFAGWMCJJ-AWEZNQCLSA-N 0 0 324.396 3.704 50 0 DHAARN Fc1ccc(NCc2cnc3ccccn23)cc1Br ZINC000095445301 185367351 /nfs/dbraw/zinc/36/73/51/185367351.db2.gz KDVNFUYTNDWCQE-UHFFFAOYSA-N 0 0 320.165 3.848 50 0 DHAARN c1ccc2[nH]c(NCc3ccnc(OC4CCCC4)c3)nc2c1 ZINC000095447136 185367907 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CC[C@@H](c1ccccn1)N(C)C(=O)COc1cccc(C)c1C ZINC000067774384 190720808 /nfs/dbraw/zinc/72/08/08/190720808.db2.gz NYLDVEQRCQLAQW-KRWDZBQOSA-N 0 0 312.413 3.687 50 0 DHAARN CCCn1cnc2c1nc(Cl)nc2Nc1ccc(C)cc1 ZINC000170621894 197794077 /nfs/dbraw/zinc/79/40/77/197794077.db2.gz DRCVJQNUEQWEGB-UHFFFAOYSA-N 0 0 301.781 3.942 50 0 DHAARN CNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000170643980 197799025 /nfs/dbraw/zinc/79/90/25/197799025.db2.gz WLRQYIDKPBHUBH-UHFFFAOYSA-N 0 0 311.263 3.644 50 0 DHAARN Cc1cc(C)n(CC2(Cn3ccnc3-c3ccc(C)o3)CC2)n1 ZINC000067974077 190740520 /nfs/dbraw/zinc/74/05/20/190740520.db2.gz CBEVWEBUFBJVTM-UHFFFAOYSA-N 0 0 310.401 3.745 50 0 DHAARN CN(Cc1nnsc1Cl)[C@@H](c1ccccc1)C(F)(F)F ZINC000069741396 190810739 /nfs/dbraw/zinc/81/07/39/190810739.db2.gz FVRZECVHROFKSW-JTQLQIEISA-N 0 0 321.755 3.927 50 0 DHAARN Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000080345133 192150481 /nfs/dbraw/zinc/15/04/81/192150481.db2.gz NSDAPNSMXMCRHH-GJZGRUSLSA-N 0 0 309.365 3.508 50 0 DHAARN 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191111119 /nfs/dbraw/zinc/11/11/19/191111119.db2.gz LORSDSNAOCBFHX-MRXNPFEDSA-N 0 0 316.426 3.654 50 0 DHAARN Cc1ncsc1C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000072293437 191109947 /nfs/dbraw/zinc/10/99/47/191109947.db2.gz RGEAOYCCYBFACW-UHFFFAOYSA-N 0 0 306.362 3.632 50 0 DHAARN COCCC(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000072295530 191111797 /nfs/dbraw/zinc/11/17/97/191111797.db2.gz FRTRJAIPVVOBOO-AWEZNQCLSA-N 0 0 313.397 3.576 50 0 DHAARN Cc1nc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)sc1C ZINC000072297470 191112849 /nfs/dbraw/zinc/11/28/49/191112849.db2.gz KPPXFJQYPNTDOB-LSDHHAIUSA-N 0 0 304.459 3.822 50 0 DHAARN Cc1c(Br)ccc(NC(=O)N2CCCC2)c1F ZINC000194220372 186270589 /nfs/dbraw/zinc/27/05/89/186270589.db2.gz KBLSRDWRZWUONH-UHFFFAOYSA-N 0 0 301.159 3.524 50 0 DHAARN C[C@@](O)(CNC(=O)c1cc2ccccc2s1)c1cccs1 ZINC000225621692 186284601 /nfs/dbraw/zinc/28/46/01/186284601.db2.gz FYDQYAUDKKDWJQ-MRXNPFEDSA-N 0 0 317.435 3.600 50 0 DHAARN O=C(Cc1cccs1)NCc1cccnc1-c1ccsc1 ZINC000225644321 186285941 /nfs/dbraw/zinc/28/59/41/186285941.db2.gz HKVDNQVIZIJTQD-UHFFFAOYSA-N 0 0 314.435 3.731 50 0 DHAARN Cc1ccc(NC(=O)N2CCC=C(Br)C2)c(C)c1 ZINC000225653222 186287143 /nfs/dbraw/zinc/28/71/43/186287143.db2.gz KGCSKIOOCWEBSW-UHFFFAOYSA-N 0 0 309.207 3.820 50 0 DHAARN CC(=O)c1ccc(CCNC(=O)Nc2ccccc2Cl)s1 ZINC000225675280 186288292 /nfs/dbraw/zinc/28/82/92/186288292.db2.gz RWXZEJJFIAWLSE-UHFFFAOYSA-N 0 0 322.817 3.968 50 0 DHAARN C[C@@H]1CCN(Cc2ncnn2C(C)(C)C)[C@H](c2ccco2)C1 ZINC000253392631 186302779 /nfs/dbraw/zinc/30/27/79/186302779.db2.gz SCYKMURPJHQTAL-KGLIPLIRSA-N 0 0 302.422 3.599 50 0 DHAARN CCCCCc1ccc(-c2ccnc3nc(COC)nn32)cc1 ZINC000253410890 186309054 /nfs/dbraw/zinc/30/90/54/186309054.db2.gz NXINFHLNYWAKMM-UHFFFAOYSA-N 0 0 310.401 3.670 50 0 DHAARN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2cccc(F)c2)C1 ZINC000072305931 191117313 /nfs/dbraw/zinc/11/73/13/191117313.db2.gz DEDGLWDAROWTIX-PXAZEXFGSA-N 0 0 308.397 3.525 50 0 DHAARN Cn1c(S[C@@H]2CCc3ccc(F)cc32)nnc1-c1ccco1 ZINC000072312856 191119610 /nfs/dbraw/zinc/11/96/10/191119610.db2.gz YLBUNEYFQYPYSX-CQSZACIVSA-N 0 0 315.373 3.994 50 0 DHAARN C[C@H](Cc1ccoc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000084829339 192470449 /nfs/dbraw/zinc/47/04/49/192470449.db2.gz DBMCGPIHKKGMAH-GFCCVEGCSA-N 0 0 321.804 3.838 50 0 DHAARN Cn1ccc2c1cccc2NC(=O)Cn1ccc2ccccc21 ZINC000072324644 191123400 /nfs/dbraw/zinc/12/34/00/191123400.db2.gz ARAPZJGXXGFUPU-UHFFFAOYSA-N 0 0 303.365 3.772 50 0 biogenic DHAARN Cc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(C)c2)cc1 ZINC000072328967 191124046 /nfs/dbraw/zinc/12/40/46/191124046.db2.gz IZKXGBCSIUNXFH-UHFFFAOYSA-N 0 0 305.381 3.624 50 0 DHAARN COCCn1ccc2c1cccc2NC(=O)c1ccccc1OC ZINC000072405616 191152418 /nfs/dbraw/zinc/15/24/18/191152418.db2.gz CCJQMTJWGYKULW-UHFFFAOYSA-N 0 0 324.380 3.549 50 0 DHAARN c1cn(-c2ccc(Nc3ccccc3)nc2)c([C@@H]2CCOC2)n1 ZINC000072411021 191153512 /nfs/dbraw/zinc/15/35/12/191153512.db2.gz LHPYICLYYRXIIA-CQSZACIVSA-N 0 0 306.369 3.515 50 0 DHAARN Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000038923 180674953 /nfs/dbraw/zinc/67/49/53/180674953.db2.gz OSIFJLBIWKGVRK-UHFFFAOYSA-N 0 0 304.802 3.775 50 0 DHAARN CC(C)(O)CCc1cccc(C(=O)NC2(c3ccccc3)CC2)c1 ZINC000072409747 191154286 /nfs/dbraw/zinc/15/42/86/191154286.db2.gz QVPWLYXUMVHHHD-UHFFFAOYSA-N 0 0 323.436 3.809 50 0 DHAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NCCc1ccccc1 ZINC000000042855 180676017 /nfs/dbraw/zinc/67/60/17/180676017.db2.gz PSWAZRAOBUPKLM-JSGCOSHPSA-N 0 0 312.240 3.937 50 0 DHAARN Cn1ccc2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)cc21 ZINC000072400725 191150951 /nfs/dbraw/zinc/15/09/51/191150951.db2.gz TYFYADXGTUQTIY-UHFFFAOYSA-N 0 0 322.364 3.592 50 0 DHAARN Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000072403029 191151437 /nfs/dbraw/zinc/15/14/37/191151437.db2.gz ZYAXNPVSBVBUKL-UHFFFAOYSA-N 0 0 316.364 3.821 50 0 DHAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1 ZINC000072405625 191152204 /nfs/dbraw/zinc/15/22/04/191152204.db2.gz VPCBIYWCEIJUJM-OAHLLOKOSA-N 0 0 323.352 3.657 50 0 DHAARN COCCNc1cc(-c2cc(Cl)ccc2O)c2cc[nH]c2n1 ZINC000072418590 191156738 /nfs/dbraw/zinc/15/67/38/191156738.db2.gz PGNRSUDJCSKJDM-UHFFFAOYSA-N 0 0 317.776 3.647 50 0 DHAARN COc1cncc(-c2cc(NC3CCCC3)nc3[nH]ccc32)c1 ZINC000072419448 191156751 /nfs/dbraw/zinc/15/67/51/191156751.db2.gz DXHOHOSHTAUDMT-UHFFFAOYSA-N 0 0 308.385 3.988 50 0 DHAARN C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000000074191 180684566 /nfs/dbraw/zinc/68/45/66/180684566.db2.gz GITQLUBCNIFZAP-QMMMGPOBSA-N 0 0 315.320 3.689 50 0 DHAARN O=C(CSC(=S)N1CCCCC1)c1c(F)cccc1F ZINC000000076394 180685129 /nfs/dbraw/zinc/68/51/29/180685129.db2.gz XCBMAQCBUYAKJP-UHFFFAOYSA-N 0 0 315.410 3.652 50 0 DHAARN COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1 ZINC000000076294 180685361 /nfs/dbraw/zinc/68/53/61/180685361.db2.gz HHOUCPXRHDFDGG-UHFFFAOYSA-N 0 0 312.394 3.735 50 0 DHAARN Cc1nc2sc3c(c2c(-n2nnc4ccccc42)n1)CCCC3 ZINC000000081268 180686718 /nfs/dbraw/zinc/68/67/18/180686718.db2.gz FBJFTPMVNFIJDD-UHFFFAOYSA-N 0 0 321.409 3.612 50 0 DHAARN Cc1noc(C)c1-c1cc(NCc2ccncc2)nc2[nH]ccc21 ZINC000072424064 191160197 /nfs/dbraw/zinc/16/01/97/191160197.db2.gz DOWXVHGMCPLERU-UHFFFAOYSA-N 0 0 319.368 3.842 50 0 DHAARN COc1ccc(NC(=S)NCc2ccccc2Cl)cc1 ZINC000000103874 180694737 /nfs/dbraw/zinc/69/47/37/180694737.db2.gz WXTFFQGDNLOZAD-UHFFFAOYSA-N 0 0 306.818 3.835 50 0 DHAARN CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000125224 180701072 /nfs/dbraw/zinc/70/10/72/180701072.db2.gz IPLPILQSDHMGEB-UHFFFAOYSA-N 0 0 317.776 3.967 50 0 DHAARN CC(C)(O)CCc1ccc(C(=O)N2CC[C@@H]2c2ccccc2)cc1 ZINC000072480196 191181570 /nfs/dbraw/zinc/18/15/70/191181570.db2.gz WREOXQHDQJAXCW-LJQANCHMSA-N 0 0 323.436 3.977 50 0 DHAARN CCc1cc(NCc2ccc(C)s2)n2nc(C)c(C)c2n1 ZINC000072469433 191175287 /nfs/dbraw/zinc/17/52/87/191175287.db2.gz MWALDJWNDNFWMX-UHFFFAOYSA-N 0 0 300.431 3.891 50 0 DHAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccccc1 ZINC000000149480 180709322 /nfs/dbraw/zinc/70/93/22/180709322.db2.gz DUIZGDIPPCQVNM-UHFFFAOYSA-N 0 0 317.410 3.668 50 0 DHAARN CN(Cc1csc(-c2cccs2)n1)Cc1cccnc1 ZINC000072469630 191176140 /nfs/dbraw/zinc/17/61/40/191176140.db2.gz WIXSHWVCDUHHPY-UHFFFAOYSA-N 0 0 301.440 3.899 50 0 DHAARN Fc1ccc(-c2cc(NCc3ccco3)n3nccc3n2)cc1 ZINC000072474086 191177128 /nfs/dbraw/zinc/17/71/28/191177128.db2.gz CGRRJOGSIGLAIK-UHFFFAOYSA-N 0 0 308.316 3.741 50 0 DHAARN C[C@H](c1ccco1)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000072543116 191189632 /nfs/dbraw/zinc/18/96/32/191189632.db2.gz RDNAXMIJYURQLX-CQSZACIVSA-N 0 0 324.384 3.749 50 0 DHAARN O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1 ZINC000000189395 180720072 /nfs/dbraw/zinc/72/00/72/180720072.db2.gz JUVHZESVNFKRLS-UHFFFAOYSA-N 0 0 321.405 3.871 50 0 DHAARN Cc1cc(CC(=O)Nc2cc(-c3ccco3)ccc2F)no1 ZINC000072500197 191183892 /nfs/dbraw/zinc/18/38/92/191183892.db2.gz XSKWEOSJOLEPNP-UHFFFAOYSA-N 0 0 300.289 3.563 50 0 DHAARN CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C)cc1 ZINC000000227399 180732154 /nfs/dbraw/zinc/73/21/54/180732154.db2.gz FUIYPDRQSRAYRZ-UHFFFAOYSA-N 0 0 303.383 3.794 50 0 DHAARN COc1ccccc1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000000264479 180741792 /nfs/dbraw/zinc/74/17/92/180741792.db2.gz AMPOHGLMFXETLB-UHFFFAOYSA-N 0 0 318.376 3.984 50 0 DHAARN Cc1sc(NC(=O)c2ccccc2)c(C(=O)NC(C)C)c1C ZINC000000281685 180746550 /nfs/dbraw/zinc/74/65/50/180746550.db2.gz XBSDXLHMNNTAKI-UHFFFAOYSA-N 0 0 316.426 3.755 50 0 DHAARN COc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1 ZINC000000312688 180756110 /nfs/dbraw/zinc/75/61/10/180756110.db2.gz PQVRYUUYYXLQRG-UHFFFAOYSA-N 0 0 322.368 3.899 50 0 DHAARN CCOC(=O)c1c2cc(O)ccc2oc1-c1ccc(OC)cc1 ZINC000000311617 180756227 /nfs/dbraw/zinc/75/62/27/180756227.db2.gz BXQIVOMSRNFTNH-UHFFFAOYSA-N 0 0 312.321 3.991 50 0 biogenic DHAARN COc1ccc(NC(=O)Cc2ccccc2OC)cc1Cl ZINC000000311019 180756353 /nfs/dbraw/zinc/75/63/53/180756353.db2.gz XCLCPANSVRHVJR-UHFFFAOYSA-N 0 0 305.761 3.538 50 0 DHAARN COc1ccccc1/C=C/C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000000315424 180757249 /nfs/dbraw/zinc/75/72/49/180757249.db2.gz UUFRJDDZKSOSMN-DXRVJIQQSA-N 0 0 307.393 3.725 50 0 DHAARN COC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000000316500 180758103 /nfs/dbraw/zinc/75/81/03/180758103.db2.gz YKNARKDPAKVMPO-UHFFFAOYSA-N 0 0 313.353 3.513 50 0 DHAARN O=C(Nc1ccccc1Cl)c1cncc(Br)c1 ZINC000000362441 180767137 /nfs/dbraw/zinc/76/71/37/180767137.db2.gz DOKMVRWRKYSZFM-UHFFFAOYSA-N 0 0 311.566 3.750 50 0 DHAARN Cc1ccccc1-c1nc2cc(NC(=O)[C@H]3CCCO3)ccc2o1 ZINC000000367892 180768534 /nfs/dbraw/zinc/76/85/34/180768534.db2.gz ARMWMPULEQIVSV-QGZVFWFLSA-N 0 0 322.364 3.921 50 0 DHAARN COc1ccc(C2=Nc3nc(C)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000000407757 180778557 /nfs/dbraw/zinc/77/85/57/180778557.db2.gz ZFTFOWYACIKQOW-GOSISDBHSA-N 0 0 318.380 3.651 50 0 DHAARN COC(=O)c1ccc(OC(=O)Nc2ccc(SC)cc2)cc1 ZINC000000399645 180777567 /nfs/dbraw/zinc/77/75/67/180777567.db2.gz YNIPCZRMWDRITA-UHFFFAOYSA-N 0 0 317.366 3.806 50 0 DHAARN Cc1ccc(C)c(NC(=S)NC(=O)C=Cc2ccccc2)c1 ZINC000000443033 180792306 /nfs/dbraw/zinc/79/23/06/180792306.db2.gz QCAONFHOLZEWJX-ZHACJKMWSA-N 0 0 310.422 3.830 50 0 DHAARN COc1ccc(Cc2noc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000000441925 180791968 /nfs/dbraw/zinc/79/19/68/180791968.db2.gz WSNOKZZDVZLNGX-UHFFFAOYSA-N 0 0 314.772 3.913 50 0 DHAARN Nc1nc(COc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000000420829 180784069 /nfs/dbraw/zinc/78/40/69/180784069.db2.gz BOYXRCCOXUCZFX-UHFFFAOYSA-N 0 0 311.410 3.731 50 0 DHAARN COc1cccc(NC(=O)c2ccc(SC)cc2OC)c1 ZINC000000455999 180796676 /nfs/dbraw/zinc/79/66/76/180796676.db2.gz SNXUJAYLURLUSN-UHFFFAOYSA-N 0 0 303.383 3.678 50 0 DHAARN CCOc1cccc(C(=O)Nc2ccc(NC(=O)CC)cc2)c1 ZINC000000444578 180793387 /nfs/dbraw/zinc/79/33/87/180793387.db2.gz GGKKJOMCCFNRGT-UHFFFAOYSA-N 0 0 312.369 3.686 50 0 DHAARN Brc1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000000445911 180794029 /nfs/dbraw/zinc/79/40/29/180794029.db2.gz FAUUYUFBCVUJJG-UHFFFAOYSA-N 0 0 302.131 3.561 50 0 DHAARN CCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000000454991 180795959 /nfs/dbraw/zinc/79/59/59/180795959.db2.gz FUQSABPHUNPNAT-UHFFFAOYSA-N 0 0 301.733 3.892 50 0 DHAARN COc1ccccc1-c1nnc2sc(-c3ccccc3)nn21 ZINC000000531046 180814738 /nfs/dbraw/zinc/81/47/38/180814738.db2.gz OLSBQPOZYBBSJJ-UHFFFAOYSA-N 0 0 308.366 3.528 50 0 DHAARN COc1ccc([C@@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 ZINC000000519346 180811064 /nfs/dbraw/zinc/81/10/64/180811064.db2.gz RJYHUHMMBLCXKJ-BHHKEHIISA-N 0 0 302.414 3.594 50 0 biogenic DHAARN COc1ccccc1-c1nnc2sc(-c3ccc(C)cc3)nn21 ZINC000000533299 180816066 /nfs/dbraw/zinc/81/60/66/180816066.db2.gz XHVQRCIOQARTPA-UHFFFAOYSA-N 0 0 322.393 3.837 50 0 DHAARN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(C(C)C)nn1C ZINC000173460139 198216818 /nfs/dbraw/zinc/21/68/18/198216818.db2.gz YXONIMCBQGRWIZ-HNNXBMFYSA-N 0 0 305.466 3.974 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000000613859 180828874 /nfs/dbraw/zinc/82/88/74/180828874.db2.gz TUKSHQYPTAMAEG-UHFFFAOYSA-N 0 0 322.286 3.916 50 0 DHAARN Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)cc1 ZINC000000815061 180834891 /nfs/dbraw/zinc/83/48/91/180834891.db2.gz SGKZAZQJRBSTPL-UHFFFAOYSA-N 0 0 322.320 3.631 50 0 DHAARN CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccccc1 ZINC000000616912 180830143 /nfs/dbraw/zinc/83/01/43/180830143.db2.gz DOGGUPWHPXWYSA-UHFFFAOYSA-N 0 0 324.424 3.644 50 0 DHAARN CSc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000000615846 180830311 /nfs/dbraw/zinc/83/03/11/180830311.db2.gz XSMZQZLSHJULML-LBPRGKRZSA-N 0 0 313.378 3.611 50 0 DHAARN CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(C)cc1 ZINC000000987914 180839088 /nfs/dbraw/zinc/83/90/88/180839088.db2.gz WDIHHTZLNUSLJY-UHFFFAOYSA-N 0 0 304.349 3.614 50 0 DHAARN Cc1ccc(-c2nnc3sc(CCc4ccccc4)nn32)cc1 ZINC000001016543 180841108 /nfs/dbraw/zinc/84/11/08/180841108.db2.gz WCBQIFIMSZEPCD-UHFFFAOYSA-N 0 0 320.421 3.946 50 0 DHAARN Cc1ccc2nc(NC(=O)COc3ccc(F)cc3)sc2c1 ZINC000001062195 180844649 /nfs/dbraw/zinc/84/46/49/180844649.db2.gz QKIFJKZMIYUIBJ-UHFFFAOYSA-N 0 0 316.357 3.761 50 0 DHAARN Fc1cccc(NC(=S)NCCc2c[nH]c3ccccc23)c1 ZINC000001162013 180848225 /nfs/dbraw/zinc/84/82/25/180848225.db2.gz ZSGIOXSDDDCPPW-UHFFFAOYSA-N 0 0 313.401 3.836 50 0 DHAARN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(C)c3C)CC2=O)cc1 ZINC000001461454 180868116 /nfs/dbraw/zinc/86/81/16/180868116.db2.gz VKVCHXAZNQQAAD-INIZCTEOSA-N 0 0 323.392 3.570 50 0 DHAARN CCOC(=O)C=C(C)Nc1ccc2c(C)c(C)n(C)c2c1OC ZINC000001423611 180864484 /nfs/dbraw/zinc/86/44/84/180864484.db2.gz OISNWLZYLAYIRE-ZHACJKMWSA-N 0 0 316.401 3.683 50 0 DHAARN O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001641343 180882922 /nfs/dbraw/zinc/88/29/22/180882922.db2.gz OZFAFGSSMRRTDW-UHFFFAOYSA-N 0 0 303.166 3.761 50 0 DHAARN Cc1cc(OCCn2c3ccccc3nc2CO)ccc1Cl ZINC000001926858 180901955 /nfs/dbraw/zinc/90/19/55/180901955.db2.gz AGZPBWUQPZQLDD-UHFFFAOYSA-N 0 0 316.788 3.569 50 0 DHAARN CC(C)c1nnc2sc(COc3ccc(Cl)cc3)nn21 ZINC000002198336 180915509 /nfs/dbraw/zinc/91/55/09/180915509.db2.gz DLQBILFXDZJIBZ-UHFFFAOYSA-N 0 0 308.794 3.542 50 0 DHAARN CCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C ZINC000002228874 180915806 /nfs/dbraw/zinc/91/58/06/180915806.db2.gz LRTZQXXWFYSUTG-UHFFFAOYSA-N 0 0 312.394 3.616 50 0 DHAARN CCc1cc(NC(=O)c2cnc(-c3ccccc3)s2)nc(C)n1 ZINC000174204480 198305638 /nfs/dbraw/zinc/30/56/38/198305638.db2.gz OVJHADLGAJRASP-UHFFFAOYSA-N 0 0 324.409 3.723 50 0 DHAARN O=C1C[C@H](c2cccs2)Cc2nc3nc4ccccc4n3cc21 ZINC000002357139 180921234 /nfs/dbraw/zinc/92/12/34/180921234.db2.gz SENMHDLEQFUJPW-LLVKDONJSA-N 0 0 319.389 3.857 50 0 DHAARN O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(O)cc1 ZINC000002404288 180923043 /nfs/dbraw/zinc/92/30/43/180923043.db2.gz IWBITHZHSGKLPU-NTEUORMPSA-N 0 0 315.325 3.772 50 0 DHAARN Cn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 ZINC000002524064 180931741 /nfs/dbraw/zinc/93/17/41/180931741.db2.gz RNXUISVWKMSTAW-UHFFFAOYSA-N 0 0 313.401 3.837 50 0 DHAARN CCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000002741550 180951162 /nfs/dbraw/zinc/95/11/62/180951162.db2.gz ZBGYIWTVFVZYSR-LLVKDONJSA-N 0 0 322.474 3.881 50 0 DHAARN COc1cccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)c1 ZINC000002748131 180951517 /nfs/dbraw/zinc/95/15/17/180951517.db2.gz GIAFTISPBHGTKY-UHFFFAOYSA-N 0 0 318.376 3.803 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YGHRJUQGHKTEFG-UHFFFAOYSA-N 0 0 306.365 3.888 50 0 DHAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000020963693 182257060 /nfs/dbraw/zinc/25/70/60/182257060.db2.gz JETKPNKLDQCJMG-GRYCIOLGSA-N 0 0 321.808 3.560 50 0 DHAARN Cc1ccccc1[C@H](CC(=O)Nc1ccccn1)n1cccc1 ZINC000020998811 182258706 /nfs/dbraw/zinc/25/87/06/182258706.db2.gz DXYPZMJZNSBZAL-KRWDZBQOSA-N 0 0 305.381 3.810 50 0 DHAARN CCCn1cc(-c2ccnc(N3CCCCCCC3)n2)c(C)n1 ZINC000020999340 182258809 /nfs/dbraw/zinc/25/88/09/182258809.db2.gz RKFDUVZXWBZGGY-UHFFFAOYSA-N 0 0 313.449 3.829 50 0 DHAARN Cc1ccccc1[C@@H](CC(=O)Nc1cccnc1)n1cccc1 ZINC000020998580 182259129 /nfs/dbraw/zinc/25/91/29/182259129.db2.gz AMVLPSUEVNDCBZ-GOSISDBHSA-N 0 0 305.381 3.810 50 0 DHAARN Cc1cc(C)c(NC(=O)N[C@H]2COc3ccccc3C2)c(C)c1 ZINC000021101611 182265195 /nfs/dbraw/zinc/26/51/95/182265195.db2.gz YLYRJTMSNQEXON-MRXNPFEDSA-N 0 0 310.397 3.737 50 0 DHAARN O=C(Nc1cccc2c1CCCC2)N[C@H]1COc2ccccc2C1 ZINC000021101782 182265415 /nfs/dbraw/zinc/26/54/15/182265415.db2.gz HGRGLNJEWBNLTI-MRXNPFEDSA-N 0 0 322.408 3.691 50 0 DHAARN O=C(Nc1ncccn1)c1sc2cc(F)ccc2c1Cl ZINC000021210946 182269100 /nfs/dbraw/zinc/26/91/00/182269100.db2.gz INLLSXYKGNNHQJ-UHFFFAOYSA-N 0 0 307.737 3.736 50 0 DHAARN O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000021278888 182270770 /nfs/dbraw/zinc/27/07/70/182270770.db2.gz PEYIEBQWFBKKLI-UHFFFAOYSA-N 0 0 323.783 3.933 50 0 DHAARN COc1cccc(-c2nc(-c3ccc(C)s3)no2)c1OC ZINC000021716061 182284846 /nfs/dbraw/zinc/28/48/46/182284846.db2.gz FRRDOIPDUXXGBQ-UHFFFAOYSA-N 0 0 302.355 3.791 50 0 DHAARN CCCc1cc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)no1 ZINC000021718936 182285192 /nfs/dbraw/zinc/28/51/92/182285192.db2.gz DQMFAJRIEWTWME-HNNXBMFYSA-N 0 0 317.389 3.716 50 0 DHAARN Cc1ccc2cccc(NC(=O)COc3ccc(F)cc3)c2n1 ZINC000021525222 182278509 /nfs/dbraw/zinc/27/85/09/182278509.db2.gz GQJMLVFYNPLJBF-UHFFFAOYSA-N 0 0 310.328 3.700 50 0 DHAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H]1c1ccco1 ZINC000021525349 182278691 /nfs/dbraw/zinc/27/86/91/182278691.db2.gz RKAAAMDYMSZFBJ-GFCCVEGCSA-N 0 0 314.366 3.973 50 0 DHAARN COc1cccc(-c2noc3ncnc(N4CCCCCC4)c23)c1 ZINC000021650657 182282611 /nfs/dbraw/zinc/28/26/11/182282611.db2.gz ARZXBBCZIAQWOV-UHFFFAOYSA-N 0 0 324.384 3.674 50 0 DHAARN COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1OC ZINC000021695714 182284282 /nfs/dbraw/zinc/28/42/82/182284282.db2.gz MEFVCXZXYFLQSY-UHFFFAOYSA-N 0 0 315.344 3.513 50 0 DHAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000021791518 182289724 /nfs/dbraw/zinc/28/97/24/182289724.db2.gz VRAYFCVMAINIGP-OAHLLOKOSA-N 0 0 300.333 3.668 50 0 DHAARN Cc1nn2c(nc(C)cc2N2CCCC2)c1-c1ccc(F)cc1 ZINC000021798843 182290677 /nfs/dbraw/zinc/29/06/77/182290677.db2.gz ZDEWUBXMUOHDPT-UHFFFAOYSA-N 0 0 310.376 3.752 50 0 DHAARN O=C(CCCc1c[nH]c2ccccc12)Nn1cnc2ccccc21 ZINC000021866622 182294907 /nfs/dbraw/zinc/29/49/07/182294907.db2.gz KTORLNAERYQHTE-UHFFFAOYSA-N 0 0 318.380 3.611 50 0 DHAARN CCOCCCNC(=O)Cc1coc2ccc3ccccc3c12 ZINC000021900021 182297269 /nfs/dbraw/zinc/29/72/69/182297269.db2.gz GXQJTZPHJADFNN-UHFFFAOYSA-N 0 0 311.381 3.671 50 0 DHAARN Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(C3CC3)[nH]2)c1 ZINC000021736692 182287003 /nfs/dbraw/zinc/28/70/03/182287003.db2.gz DAYFOQVLZPYHKJ-LLVKDONJSA-N 0 0 301.415 3.662 50 0 DHAARN CCC(CC)NC(=O)/C=C1/Sc2ccc(Cl)cc2NC1=O ZINC000022316762 182317401 /nfs/dbraw/zinc/31/74/01/182317401.db2.gz SRSQFKMKXWNUQI-MDWZMJQESA-N 0 0 324.833 3.573 50 0 DHAARN CCOCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000022332643 182318974 /nfs/dbraw/zinc/31/89/74/182318974.db2.gz ZAEMMWOHEXLLHG-UHFFFAOYSA-N 0 0 307.390 3.711 50 0 DHAARN Cc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)o1 ZINC000022402354 182320806 /nfs/dbraw/zinc/32/08/06/182320806.db2.gz YLCBHEAELFOEDM-UHFFFAOYSA-N 0 0 304.396 3.954 50 0 DHAARN C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1F ZINC000022226614 182313795 /nfs/dbraw/zinc/31/37/95/182313795.db2.gz BUKWQIKJHWRBKG-MEDUHNTESA-N 0 0 301.386 3.720 50 0 DHAARN O=C([C@@H]1Cc2ccccc2S1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000022241008 182315014 /nfs/dbraw/zinc/31/50/14/182315014.db2.gz RZLYCJDLTRLGTB-LXZKKBNFSA-N 0 0 301.455 3.742 50 0 DHAARN O=C(Cc1noc2ccccc21)N1CCC[C@@H]1c1ccccc1 ZINC000022551720 182326144 /nfs/dbraw/zinc/32/61/44/182326144.db2.gz QQLAZYOGEJOYCP-QGZVFWFLSA-N 0 0 306.365 3.734 50 0 DHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000022636512 182329967 /nfs/dbraw/zinc/32/99/67/182329967.db2.gz LHBNHAYVAAAZAC-UHFFFAOYSA-N 0 0 315.241 3.914 50 0 DHAARN CC(C)OCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000022698762 182331000 /nfs/dbraw/zinc/33/10/00/182331000.db2.gz HEGAHHVLGCPZRD-UHFFFAOYSA-N 0 0 322.792 3.540 50 0 DHAARN CCCCC(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000022463043 182322248 /nfs/dbraw/zinc/32/22/48/182322248.db2.gz GFHJIDMJVRJRJG-UHFFFAOYSA-N 0 0 322.368 3.927 50 0 DHAARN CCC(=O)Nc1ccccc1-c1nc(Cc2ccccc2)no1 ZINC000022462862 182322307 /nfs/dbraw/zinc/32/23/07/182322307.db2.gz QAFJLAKQJMLPIB-UHFFFAOYSA-N 0 0 307.353 3.676 50 0 DHAARN COc1cc(C(=O)N[C@H](C)CCCC(C)C)cc(OC)c1C ZINC000022512190 182324357 /nfs/dbraw/zinc/32/43/57/182324357.db2.gz CGBFJMUJSUPMRD-CYBMUJFWSA-N 0 0 307.434 3.957 50 0 DHAARN Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1 ZINC000022958024 182343488 /nfs/dbraw/zinc/34/34/88/182343488.db2.gz AAUYQVBYNCKNKI-UHFFFAOYSA-N 0 0 312.394 3.570 50 0 DHAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)NCC1CC1 ZINC000022971862 182344023 /nfs/dbraw/zinc/34/40/23/182344023.db2.gz VTHBWBKVHSCVGO-UHFFFAOYSA-N 0 0 315.800 3.912 50 0 DHAARN O=C(Nc1ccccc1N1CCCC1)c1cc(F)ccc1F ZINC000022741378 182332693 /nfs/dbraw/zinc/33/26/93/182332693.db2.gz WSYRVVOEUSRZAF-UHFFFAOYSA-N 0 0 302.324 3.817 50 0 DHAARN O=C(CSC1CCCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000022934493 182342110 /nfs/dbraw/zinc/34/21/10/182342110.db2.gz SEJHRHQZARLICH-UHFFFAOYSA-N 0 0 314.454 3.728 50 0 DHAARN Cc1nnc([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)s1 ZINC000023140574 182350709 /nfs/dbraw/zinc/35/07/09/182350709.db2.gz ALBLGJSZPCCNCE-LBPRGKRZSA-N 0 0 321.833 3.520 50 0 DHAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000023269134 182355538 /nfs/dbraw/zinc/35/55/38/182355538.db2.gz FGTQJFPOVCMROZ-IBGZPJMESA-N 0 0 317.392 3.680 50 0 DHAARN Cc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc(C)s2)o1 ZINC000023305775 182356141 /nfs/dbraw/zinc/35/61/41/182356141.db2.gz DKBKWIGLAJRTJG-GFCCVEGCSA-N 0 0 305.399 3.798 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)CCc2cnn(-c3ccccc3)c2)o1 ZINC000023306440 182356476 /nfs/dbraw/zinc/35/64/76/182356476.db2.gz BBHKAVFUXPYPQT-HNNXBMFYSA-N 0 0 323.396 3.584 50 0 DHAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(F)c(F)c1 ZINC000023294679 182356650 /nfs/dbraw/zinc/35/66/50/182356650.db2.gz PYTPZKIIFAFTJB-UHFFFAOYSA-N 0 0 302.324 3.817 50 0 DHAARN Cc1c[nH]nc1[C@H]1CCCN(Cc2c(F)ccc(F)c2F)C1 ZINC000023128418 182350058 /nfs/dbraw/zinc/35/00/58/182350058.db2.gz MFPMCDHLZZNIHI-NSHDSACASA-N 0 0 309.335 3.515 50 0 DHAARN COCc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000023387328 182359123 /nfs/dbraw/zinc/35/91/23/182359123.db2.gz IOJZGVDZNFQTQR-KBPBESRZSA-N 0 0 315.335 3.684 50 0 DHAARN Cc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)s1 ZINC000023486700 182362004 /nfs/dbraw/zinc/36/20/04/182362004.db2.gz WFMAPXFLJDUTCB-UHFFFAOYSA-N 0 0 316.495 3.550 50 0 DHAARN Cc1nc(NC(=O)CCc2ccco2)sc1-c1ccccn1 ZINC000023502656 182362416 /nfs/dbraw/zinc/36/24/16/182362416.db2.gz ONIFXNARDYHUQN-UHFFFAOYSA-N 0 0 313.382 3.678 50 0 DHAARN CS(=O)(=O)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000023634516 182365449 /nfs/dbraw/zinc/36/54/49/182365449.db2.gz YKDHVERNBOXPID-GOSISDBHSA-N 0 0 324.405 3.503 50 0 DHAARN Cc1cc(NCCCN2CCCC2=O)nc2cc(Cl)ccc12 ZINC000023634493 182365589 /nfs/dbraw/zinc/36/55/89/182365589.db2.gz JKIXEUOBGBLPHG-UHFFFAOYSA-N 0 0 317.820 3.621 50 0 DHAARN CC(C)c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023675131 182365871 /nfs/dbraw/zinc/36/58/71/182365871.db2.gz XIWCDBLILCXZNG-UHFFFAOYSA-N 0 0 321.424 3.679 50 0 DHAARN O=C(c1cccc2cccnc21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000024183888 182376460 /nfs/dbraw/zinc/37/64/60/182376460.db2.gz PSICVQPZGFMQCS-GFCCVEGCSA-N 0 0 308.303 3.649 50 0 DHAARN COc1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)cc1F ZINC000023796859 182369322 /nfs/dbraw/zinc/36/93/22/182369322.db2.gz LHZVTRNBTPESGL-UHFFFAOYSA-N 0 0 312.344 3.588 50 0 DHAARN CCOC(=O)Nc1ccc(C(=O)N(C)Cc2ccsc2)cc1 ZINC000023957893 182370872 /nfs/dbraw/zinc/37/08/72/182370872.db2.gz UHEJAZISSSPGBR-UHFFFAOYSA-N 0 0 318.398 3.589 50 0 DHAARN CC(=O)c1ccc(SCC(=O)NC2CCC(C)CC2)c(F)c1 ZINC000024019467 182371937 /nfs/dbraw/zinc/37/19/37/182371937.db2.gz UDZRMGGXGGGVHT-UHFFFAOYSA-N 0 0 323.433 3.815 50 0 DHAARN O=C(Cc1csc(-c2ccco2)n1)N1CCc2ccccc21 ZINC000024375464 182379752 /nfs/dbraw/zinc/37/97/52/182379752.db2.gz POUMMBDIRZLQJP-UHFFFAOYSA-N 0 0 310.378 3.535 50 0 DHAARN CON(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000024454561 182381271 /nfs/dbraw/zinc/38/12/71/182381271.db2.gz ZBSPXUPJFSSAPK-UHFFFAOYSA-N 0 0 308.337 3.642 50 0 DHAARN Cc1cccc(NC(=O)c2ccc(OCc3cccnc3)cc2)n1 ZINC000024567862 182384261 /nfs/dbraw/zinc/38/42/61/182384261.db2.gz UGPWKGRFXLJVLB-UHFFFAOYSA-N 0 0 319.364 3.616 50 0 DHAARN Cc1noc(C)c1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000024584987 182384594 /nfs/dbraw/zinc/38/45/94/182384594.db2.gz VKHOYQIGUPPAPO-SNVBAGLBSA-N 0 0 302.399 3.823 50 0 DHAARN O=C(c1ccccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024692682 182387476 /nfs/dbraw/zinc/38/74/76/182387476.db2.gz FURPOCOOJFTCGZ-ZDUSSCGKSA-N 0 0 324.355 3.987 50 0 DHAARN CN(Cc1ccsc1)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000024686057 182387824 /nfs/dbraw/zinc/38/78/24/182387824.db2.gz UPCPWALZCVGSDF-UHFFFAOYSA-N 0 0 324.409 3.554 50 0 DHAARN CC(=O)c1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000024990863 182397426 /nfs/dbraw/zinc/39/74/26/182397426.db2.gz RBUWAPMYZNXQNA-UHFFFAOYSA-N 0 0 312.300 3.657 50 0 DHAARN CN(C)C(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1 ZINC000024992705 182397745 /nfs/dbraw/zinc/39/77/45/182397745.db2.gz JKFGTTHXMVOGLS-UHFFFAOYSA-N 0 0 324.405 3.855 50 0 DHAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1 ZINC000025043588 182399490 /nfs/dbraw/zinc/39/94/90/182399490.db2.gz QRCMUHTTYFRURD-UHFFFAOYSA-N 0 0 322.389 3.997 50 0 DHAARN Cc1noc(C(C)C)c1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024887045 182393637 /nfs/dbraw/zinc/39/36/37/182393637.db2.gz IQUDRFNBGMMLKS-UHFFFAOYSA-N 0 0 310.357 3.749 50 0 DHAARN O=C(Cc1cccs1)NCc1ccccc1OC(F)(F)F ZINC000024866057 182393668 /nfs/dbraw/zinc/39/36/68/182393668.db2.gz VVSMWMDUYPDSLE-UHFFFAOYSA-N 0 0 315.316 3.506 50 0 DHAARN COc1ccc(CNC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000024957422 182395835 /nfs/dbraw/zinc/39/58/35/182395835.db2.gz ZJUXRPXQXQHFBM-LLVKDONJSA-N 0 0 320.339 3.534 50 0 DHAARN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000024957417 182395848 /nfs/dbraw/zinc/39/58/48/182395848.db2.gz ZJUXRPXQXQHFBM-NSHDSACASA-N 0 0 320.339 3.534 50 0 DHAARN CC[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000024978852 182396708 /nfs/dbraw/zinc/39/67/08/182396708.db2.gz PHRBRKTYPVZICI-ZDUSSCGKSA-N 0 0 323.845 3.812 50 0 DHAARN C[C@@H](NC(=O)/C=C/c1ccccc1OC(F)F)c1ccco1 ZINC000025461239 182415962 /nfs/dbraw/zinc/41/59/62/182415962.db2.gz ALRNQSRESIYOSM-ANYFNZRUSA-N 0 0 307.296 3.772 50 0 DHAARN Clc1snnc1CSc1nccn1-c1ccccc1 ZINC000025966161 182426210 /nfs/dbraw/zinc/42/62/10/182426210.db2.gz ALJIBGNTLHNVJV-UHFFFAOYSA-N 0 0 308.819 3.670 50 0 DHAARN O=C(NCCc1ccccc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026294135 182436651 /nfs/dbraw/zinc/43/66/51/182436651.db2.gz LLJICXMXERTZKL-KGLIPLIRSA-N 0 0 314.351 3.649 50 0 DHAARN COc1ccc(Cn2nccc2NC(=O)c2ccccc2C)cc1 ZINC000028293274 182519250 /nfs/dbraw/zinc/51/92/50/182519250.db2.gz ZJYJLTGXZWWQOE-UHFFFAOYSA-N 0 0 321.380 3.501 50 0 DHAARN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(C)c(F)c2)c1 ZINC000030273900 182587252 /nfs/dbraw/zinc/58/72/52/182587252.db2.gz HSRMAJWCWWPBRD-LBPRGKRZSA-N 0 0 314.360 3.584 50 0 DHAARN C[C@H]1CCc2nc3ccccc3c(C(=O)NCc3ccco3)c2C1 ZINC000029899199 182579611 /nfs/dbraw/zinc/57/96/11/182579611.db2.gz QFZHFXSTXSSCBH-ZDUSSCGKSA-N 0 0 320.392 3.883 50 0 DHAARN Cc1cccc(NC(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000031094868 182606812 /nfs/dbraw/zinc/60/68/12/182606812.db2.gz XUQCMJGKDJMMFB-UHFFFAOYSA-N 0 0 324.424 3.865 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000030858412 182600352 /nfs/dbraw/zinc/60/03/52/182600352.db2.gz DBUJYKQXJOFJPN-GFCCVEGCSA-N 0 0 303.789 3.769 50 0 DHAARN Cc1cc(C)c(NC=C2N=C(c3ccccc3)OC2=O)c(C)c1 ZINC000100507685 193800844 /nfs/dbraw/zinc/80/08/44/193800844.db2.gz KJECDYJIECNNPO-WJDWOHSUSA-N 0 0 306.365 3.869 50 0 DHAARN O=C(Cn1ccc2ccc(F)cc21)Nc1ccc2[nH]ccc2c1 ZINC000032091713 182634117 /nfs/dbraw/zinc/63/41/17/182634117.db2.gz MRBRYAKGBHHZEA-UHFFFAOYSA-N 0 0 307.328 3.900 50 0 DHAARN Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000031822358 182625193 /nfs/dbraw/zinc/62/51/93/182625193.db2.gz IAOZBPPRQJXDFL-UHFFFAOYSA-N 0 0 320.443 3.787 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(Cl)cn2)c2ccc(F)cc2n1 ZINC000031885735 182628272 /nfs/dbraw/zinc/62/82/72/182628272.db2.gz UZVQXTSNEAICER-UHFFFAOYSA-N 0 0 315.735 3.983 50 0 DHAARN O=C(Nc1cccc(Cn2cccn2)c1)c1cc2ccccc2[nH]1 ZINC000032467862 182643005 /nfs/dbraw/zinc/64/30/05/182643005.db2.gz LGUZXVZDTVDCQM-UHFFFAOYSA-N 0 0 316.364 3.665 50 0 DHAARN C[C@@H]1CC[C@@H](OC(=O)CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC000032581166 182648461 /nfs/dbraw/zinc/64/84/61/182648461.db2.gz CTEKOCWIQAXHMQ-IJEWVQPXSA-N 0 0 309.450 3.583 50 0 DHAARN CCc1ccc([C@@H](NC(=O)c2cc(C(C)=O)c[nH]2)C(C)C)cc1 ZINC000032768927 182661478 /nfs/dbraw/zinc/66/14/78/182661478.db2.gz FEECUXGQRAQVKD-SFHVURJKSA-N 0 0 312.413 3.907 50 0 DHAARN CC(C)CNC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000032794805 182664277 /nfs/dbraw/zinc/66/42/77/182664277.db2.gz KNAKEHHULLVPCL-HNNXBMFYSA-N 0 0 306.406 3.932 50 0 DHAARN CCn1nnc(NCc2ccc(-c3cccc(Cl)c3C)o2)n1 ZINC000032617007 182650684 /nfs/dbraw/zinc/65/06/84/182650684.db2.gz NKWPUVDJOIPPOK-UHFFFAOYSA-N 0 0 317.780 3.527 50 0 DHAARN O=C(NCCc1ccccn1)c1ccc2c(c1)-c1ccccc1C2 ZINC000032843965 182670980 /nfs/dbraw/zinc/67/09/80/182670980.db2.gz OPQBOJJYFIMWBN-UHFFFAOYSA-N 0 0 314.388 3.625 50 0 DHAARN C[C@H](NC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000032809053 182666071 /nfs/dbraw/zinc/66/60/71/182666071.db2.gz QIBCVKLGTSWNKP-JTQLQIEISA-N 0 0 312.291 3.859 50 0 DHAARN Cc1ccc(C(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000032818343 182667505 /nfs/dbraw/zinc/66/75/05/182667505.db2.gz NZDKNAUVVSKDLS-KBPBESRZSA-N 0 0 315.335 3.615 50 0 DHAARN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000032818338 182667558 /nfs/dbraw/zinc/66/75/58/182667558.db2.gz NZDKNAUVVSKDLS-ZIAGYGMSSA-N 0 0 315.335 3.615 50 0 DHAARN COc1ccccc1CC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032818719 182667830 /nfs/dbraw/zinc/66/78/30/182667830.db2.gz SBBLHGFOKABXQJ-UHFFFAOYSA-N 0 0 322.364 3.895 50 0 DHAARN CCC(=O)Nc1nc2ccc(NC(=O)N[C@@H](C)CC)cc2s1 ZINC000033008086 182688146 /nfs/dbraw/zinc/68/81/46/182688146.db2.gz IUEHHEWBEWRCON-VIFPVBQESA-N 0 0 320.418 3.565 50 0 DHAARN Cc1ccc(-n2ccnc(SCc3ccccc3)c2=O)cc1 ZINC000033039796 182690258 /nfs/dbraw/zinc/69/02/58/182690258.db2.gz IZOGKVGPMOAQMK-UHFFFAOYSA-N 0 0 308.406 3.833 50 0 DHAARN COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)c2cccs2)c1 ZINC000032924143 182681261 /nfs/dbraw/zinc/68/12/61/182681261.db2.gz LBULHVGELWKPBA-STQMWFEESA-N 0 0 319.426 3.539 50 0 DHAARN Cc1cccc(/C=C/C(=O)NCc2ccc(-n3cccn3)cc2)c1 ZINC000032925646 182681409 /nfs/dbraw/zinc/68/14/09/182681409.db2.gz AZKFXNLRVOPVLD-DHZHZOJOSA-N 0 0 317.392 3.510 50 0 DHAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(F)cc1F ZINC000032930841 182682862 /nfs/dbraw/zinc/68/28/62/182682862.db2.gz XXKCKVWHRHFRQJ-JTQLQIEISA-N 0 0 309.743 3.979 50 0 DHAARN C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccccc1 ZINC000032931208 182682937 /nfs/dbraw/zinc/68/29/37/182682937.db2.gz FYEHKMMURIQVFX-GFCCVEGCSA-N 0 0 320.795 3.734 50 0 DHAARN CCC(=O)Nc1nc2cc(NC(=O)N[C@H](C)CC)ccc2s1 ZINC000033129423 182693896 /nfs/dbraw/zinc/69/38/96/182693896.db2.gz PONUOXIAYNIGSM-SECBINFHSA-N 0 0 320.418 3.565 50 0 DHAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccc(F)cc1)c3=O ZINC000033088853 182692532 /nfs/dbraw/zinc/69/25/32/182692532.db2.gz HLIMQIZONRRGNS-NSHDSACASA-N 0 0 322.339 3.510 50 0 DHAARN O=C(/C=C\c1c(F)cccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000033456748 182713620 /nfs/dbraw/zinc/71/36/20/182713620.db2.gz CSTYAOSSVJPVCY-ALCCZGGFSA-N 0 0 319.719 3.860 50 0 DHAARN CCn1nc(C(=O)N[C@@H](C)c2ccccc2)cc1-c1ccco1 ZINC000034900902 182741848 /nfs/dbraw/zinc/74/18/48/182741848.db2.gz PMCOTZNRFHCDBO-ZDUSSCGKSA-N 0 0 309.369 3.654 50 0 DHAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(C)cc2)n(C)n1 ZINC000034903373 182742432 /nfs/dbraw/zinc/74/24/32/182742432.db2.gz YRSAQYOROUCOMP-UHFFFAOYSA-N 0 0 321.380 3.656 50 0 DHAARN Cc1c(C)n(-c2ccccc2)c2ncn(Cc3ccco3)c(=N)c12 ZINC000101402221 193812832 /nfs/dbraw/zinc/81/28/32/193812832.db2.gz OIRIIHPWZCBKLK-UHFFFAOYSA-N 0 0 318.380 3.565 50 0 DHAARN CC[C@H]1Cn2c(C(=O)NCCC(C)C)cc3cccc(c32)O1 ZINC000035477397 182777049 /nfs/dbraw/zinc/77/70/49/182777049.db2.gz PQQNFQSJBCAXSL-AWEZNQCLSA-N 0 0 300.402 3.588 50 0 DHAARN O=C(Nc1cccc2nsnc21)C12CC3CC(CC(C3)C1)C2 ZINC000035672747 182785588 /nfs/dbraw/zinc/78/55/88/182785588.db2.gz VFYXNZVXVGLDDX-UHFFFAOYSA-N 0 0 313.426 3.846 50 0 DHAARN CCc1cccc(OCc2nc(C(=O)N3CCCC3)cs2)c1 ZINC000036084122 182795824 /nfs/dbraw/zinc/79/58/24/182795824.db2.gz TXRWZDYMMHCMHW-UHFFFAOYSA-N 0 0 316.426 3.521 50 0 DHAARN CCCNc1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 ZINC000036614157 182828544 /nfs/dbraw/zinc/82/85/44/182828544.db2.gz LEJZMMWYBAVYPK-UHFFFAOYSA-N 0 0 311.307 3.993 50 0 DHAARN O=C(/C=C/c1cccs1)NCc1cc(-c2cccs2)on1 ZINC000036662419 182834467 /nfs/dbraw/zinc/83/44/67/182834467.db2.gz YMJKBLLQOPLYFL-AATRIKPKSA-N 0 0 316.407 3.794 50 0 DHAARN O=C(NCc1cccs1)Nc1nc(-c2ccccn2)cs1 ZINC000036709322 182836118 /nfs/dbraw/zinc/83/61/18/182836118.db2.gz QDVHHVURGSRCNX-UHFFFAOYSA-N 0 0 316.411 3.588 50 0 DHAARN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(Cl)ccn1 ZINC000037108992 182867558 /nfs/dbraw/zinc/86/75/58/182867558.db2.gz NRBDGNFEAIONQK-KRWDZBQOSA-N 0 0 323.783 3.649 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CCN(c3cccc(C)c3C)C2=O)cc1 ZINC000037570807 182908847 /nfs/dbraw/zinc/90/88/47/182908847.db2.gz QZDUNLYFFMMXCR-KRWDZBQOSA-N 0 0 322.408 3.603 50 0 DHAARN Cn1c(-c2nc(C(=O)N3CCCC3)cs2)cc2ccccc21 ZINC000038910024 183013000 /nfs/dbraw/zinc/01/30/00/183013000.db2.gz GDTVPBPDMGUFAY-UHFFFAOYSA-N 0 0 311.410 3.538 50 0 DHAARN Cc1ccc(CN(C)[C@H](C(=O)N(C)C)c2ccccc2)c(C)c1 ZINC000039987578 183026567 /nfs/dbraw/zinc/02/65/67/183026567.db2.gz SRPYAZDOODDIID-IBGZPJMESA-N 0 0 310.441 3.565 50 0 DHAARN Cc1nc2ccc(NCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2s1 ZINC000040012030 183027082 /nfs/dbraw/zinc/02/70/82/183027082.db2.gz XFJFBNSAVPHXIW-RYUDHWBXSA-N 0 0 317.458 3.806 50 0 DHAARN COc1ccnc(Oc2ccc(C(=O)c3ccc(F)cc3)cc2)n1 ZINC000040004967 183027278 /nfs/dbraw/zinc/02/72/78/183027278.db2.gz KTKZXUPRCGHNCV-UHFFFAOYSA-N 0 0 324.311 3.648 50 0 DHAARN CCOC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000040049532 183030254 /nfs/dbraw/zinc/03/02/54/183030254.db2.gz NVXJNSIJVMBRGZ-IUODEOHRSA-N 0 0 304.390 3.564 50 0 DHAARN Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3cccc(F)c3)c2c1 ZINC000039404115 183018122 /nfs/dbraw/zinc/01/81/22/183018122.db2.gz GZFRRXQFOZBXKF-SOFGYWHQSA-N 0 0 322.383 3.988 50 0 DHAARN Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1C(C)C ZINC000039588340 183020970 /nfs/dbraw/zinc/02/09/70/183020970.db2.gz CRJVNZXNUIJCSL-UHFFFAOYSA-N 0 0 323.396 3.891 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)c2ccc3nc(C)c(C)nc3c2)o1 ZINC000039981946 183026379 /nfs/dbraw/zinc/02/63/79/183026379.db2.gz DAVLQGGTSWMCCY-ZDUSSCGKSA-N 0 0 309.369 3.639 50 0 DHAARN O=C(CC1CCCCC1)NCc1ccn(-c2ccccc2F)n1 ZINC000040146862 183040145 /nfs/dbraw/zinc/04/01/45/183040145.db2.gz DVQOWKDDSVVCMY-UHFFFAOYSA-N 0 0 315.392 3.598 50 0 DHAARN Cc1ccc(C)n1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000040146578 183040283 /nfs/dbraw/zinc/04/02/83/183040283.db2.gz YKYNZTSYHFZTMW-GOSISDBHSA-N 0 0 302.393 3.758 50 0 DHAARN C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1ccccc1F ZINC000040156076 183040548 /nfs/dbraw/zinc/04/05/48/183040548.db2.gz YBIYLIZMMGBHFZ-ZDUSSCGKSA-N 0 0 322.383 3.995 50 0 DHAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCCCC3)cc12 ZINC000040159820 183041030 /nfs/dbraw/zinc/04/10/30/183041030.db2.gz JGFYASFLJZCZQW-UHFFFAOYSA-N 0 0 305.447 3.688 50 0 DHAARN CN(Cc1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cn1 ZINC000040160667 183041419 /nfs/dbraw/zinc/04/14/19/183041419.db2.gz MYDMXLVYZULVDK-UHFFFAOYSA-N 0 0 324.302 3.508 50 0 DHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)COc1ccccc1F ZINC000040089711 183032930 /nfs/dbraw/zinc/03/29/30/183032930.db2.gz JEYARUMFUVTKGL-IIAWOOMASA-N 0 0 307.409 3.782 50 0 DHAARN O=C(Nc1cc(Cl)ccc1F)[C@@H]1CC(c2ccccc2)=NO1 ZINC000040090208 183033302 /nfs/dbraw/zinc/03/33/02/183033302.db2.gz SXWKCOCLSNSLEK-HNNXBMFYSA-N 0 0 318.735 3.611 50 0 DHAARN Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)n1-c1nccs1 ZINC000040090984 183033713 /nfs/dbraw/zinc/03/37/13/183033713.db2.gz GQRSUIDHKSJYTI-UHFFFAOYSA-N 0 0 315.373 3.942 50 0 DHAARN O=C(Nc1ccc(Br)cc1F)NC1CCCC1 ZINC000040097448 183034196 /nfs/dbraw/zinc/03/41/96/183034196.db2.gz FIWJFBVNEDGLMQ-UHFFFAOYSA-N 0 0 301.159 3.652 50 0 DHAARN Cc1ccc([C@H](O)CNC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000040096947 183034237 /nfs/dbraw/zinc/03/42/37/183034237.db2.gz XWOKOLMKUSOBSE-GOSISDBHSA-N 0 0 312.413 3.974 50 0 DHAARN COCc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000040095595 183034260 /nfs/dbraw/zinc/03/42/60/183034260.db2.gz OTXAFDUKUBOXDN-UHFFFAOYSA-N 0 0 304.777 3.808 50 0 DHAARN CCOc1ncccc1CNC(=O)Nc1cc(Cl)ccc1C ZINC000040099229 183034838 /nfs/dbraw/zinc/03/48/38/183034838.db2.gz WKLMQNJJZBCYDH-UHFFFAOYSA-N 0 0 319.792 3.764 50 0 DHAARN CCc1cccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)c1 ZINC000040098804 183034960 /nfs/dbraw/zinc/03/49/60/183034960.db2.gz ZFWXSPYLCKOKPR-MRXNPFEDSA-N 0 0 318.804 3.758 50 0 DHAARN Cc1cc(C)n(-c2ccc(CCNC(=O)CC(C)(C)C)cc2)n1 ZINC000040106797 183035255 /nfs/dbraw/zinc/03/52/55/183035255.db2.gz NUXXRGWWQGZFPF-UHFFFAOYSA-N 0 0 313.445 3.584 50 0 DHAARN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccs1 ZINC000040108472 183036846 /nfs/dbraw/zinc/03/68/46/183036846.db2.gz NWZVUVKYSFMLPD-JTQLQIEISA-N 0 0 324.243 3.872 50 0 DHAARN COc1ccc2cc(C(=O)Nc3ccc(N(C)C)cc3C)[nH]c2c1 ZINC000040111664 183037265 /nfs/dbraw/zinc/03/72/65/183037265.db2.gz MEUGAXJLTXRLDW-UHFFFAOYSA-N 0 0 323.396 3.803 50 0 DHAARN CCc1nc(NC(=O)COc2ccccc2Cl)sc1C ZINC000040118979 183037776 /nfs/dbraw/zinc/03/77/76/183037776.db2.gz RTPMFSNKMVPXLE-UHFFFAOYSA-N 0 0 310.806 3.685 50 0 DHAARN CCc1nc(NC(=O)c2ccccc2OC(F)F)sc1C ZINC000040119014 183037897 /nfs/dbraw/zinc/03/78/97/183037897.db2.gz LHHJIGAWBMEQHF-UHFFFAOYSA-N 0 0 312.341 3.868 50 0 DHAARN CCc1nc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)sc1C ZINC000040118946 183037938 /nfs/dbraw/zinc/03/79/38/183037938.db2.gz LEJZXNZZVKQCRL-LLVKDONJSA-N 0 0 304.415 3.728 50 0 DHAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c(C)noc1C ZINC000040142595 183039113 /nfs/dbraw/zinc/03/91/13/183039113.db2.gz IOKPVGYMNHRQLJ-ZDUSSCGKSA-N 0 0 302.374 3.636 50 0 DHAARN Cc1c(C(=O)NCc2ccc(Cl)s2)cnn1C(C)(C)C ZINC000040141915 183039137 /nfs/dbraw/zinc/03/91/37/183039137.db2.gz SLRTYTMSJLVQGY-UHFFFAOYSA-N 0 0 311.838 3.591 50 0 DHAARN CC(C)c1nc2cc(NC(=O)COc3ccccc3)ccc2[nH]1 ZINC000040285965 183051551 /nfs/dbraw/zinc/05/15/51/183051551.db2.gz GATUOOFLYVCGJI-UHFFFAOYSA-N 0 0 309.369 3.704 50 0 DHAARN Cc1nc2ccc(NC(=O)c3cc4occc4n3C)cc2s1 ZINC000040288267 183051984 /nfs/dbraw/zinc/05/19/84/183051984.db2.gz SMURVPVUVOPCCL-UHFFFAOYSA-N 0 0 311.366 3.942 50 0 DHAARN CCNC(=O)N1CCc2sccc2[C@H]1c1ccccc1C ZINC000040372593 183057177 /nfs/dbraw/zinc/05/71/77/183057177.db2.gz WQVORPHKDWJYNG-MRXNPFEDSA-N 0 0 300.427 3.734 50 0 DHAARN CCOC(=O)C=C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000040434479 183067196 /nfs/dbraw/zinc/06/71/96/183067196.db2.gz MMUAPMICLHEYFY-UHFFFAOYSA-N 0 0 307.393 3.581 50 0 DHAARN COc1ccc(C)cc1NCc1nc(-c2ccsc2)no1 ZINC000040473264 183074150 /nfs/dbraw/zinc/07/41/50/183074150.db2.gz WDADSKPUSSBESR-UHFFFAOYSA-N 0 0 301.371 3.727 50 0 DHAARN CC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000040485607 183077944 /nfs/dbraw/zinc/07/79/44/183077944.db2.gz NVUSPBZJFFOGEB-IBGZPJMESA-N 0 0 323.392 3.632 50 0 DHAARN CCCc1noc([C@@H](C)Nc2cc(OC)c(OC)cc2C)n1 ZINC000040496510 183081001 /nfs/dbraw/zinc/08/10/01/183081001.db2.gz IJTGWQFDDYIZIB-LLVKDONJSA-N 0 0 305.378 3.521 50 0 DHAARN CC(C)(C)C(=O)NCc1cccc(COCc2ccco2)c1 ZINC000040515358 183088920 /nfs/dbraw/zinc/08/89/20/183088920.db2.gz JXSMJQIXLGIYDR-UHFFFAOYSA-N 0 0 301.386 3.659 50 0 DHAARN Cc1ccc([C@H](C)NC(=O)CCSCc2csc(C)n2)o1 ZINC000040519978 183090182 /nfs/dbraw/zinc/09/01/82/183090182.db2.gz WBBPPJBMEDHBMT-NSHDSACASA-N 0 0 324.471 3.854 50 0 DHAARN CC[C@@H](C)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000040525123 183091900 /nfs/dbraw/zinc/09/19/00/183091900.db2.gz LOEKEJXTRXVMBM-HUUCEWRRSA-N 0 0 312.413 3.884 50 0 DHAARN O=C(Nc1nnc(C2CC2)s1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000040553257 183100510 /nfs/dbraw/zinc/10/05/10/183100510.db2.gz NWOQMBOLOUFMBT-DTWKUNHWSA-N 0 0 319.352 3.723 50 0 DHAARN CCOc1ccc(NC(=O)CCn2ncc3ccc(C)cc32)cc1 ZINC000040758964 183130184 /nfs/dbraw/zinc/13/01/84/183130184.db2.gz HDFUQOFMMYVOLG-UHFFFAOYSA-N 0 0 323.396 3.772 50 0 DHAARN COc1ccc2nccc(Nc3ccc(NC(C)=O)cc3)c2c1 ZINC000041055470 183160229 /nfs/dbraw/zinc/16/02/29/183160229.db2.gz UKTXKGWUDGFIOQ-UHFFFAOYSA-N 0 0 307.353 3.945 50 0 DHAARN Oc1ccccc1Nc1nc2ccccc2c(N2CCCC2)n1 ZINC000041148123 183176763 /nfs/dbraw/zinc/17/67/63/183176763.db2.gz FHFZURCETFBDOK-UHFFFAOYSA-N 0 0 306.369 3.679 50 0 DHAARN Cc1ccc(-c2nc3nc(-c4ccccc4)[nH]c(=O)c3o2)cc1 ZINC000041154979 183178511 /nfs/dbraw/zinc/17/85/11/183178511.db2.gz AXLKEOIMNZLUFI-UHFFFAOYSA-N 0 0 303.321 3.966 50 0 DHAARN C[C@@H](CNC(=O)c1ccccc1F)Oc1ccc(Cl)cc1 ZINC000041155700 183178674 /nfs/dbraw/zinc/17/86/74/183178674.db2.gz LSCRYKVMPMRUPS-NSHDSACASA-N 0 0 307.752 3.676 50 0 DHAARN CCOc1ccc(-c2c(C)sc3[nH]c(C)nc(=O)c32)cc1 ZINC000041104779 183165784 /nfs/dbraw/zinc/16/57/84/183165784.db2.gz IQMDGESEVXDJAH-UHFFFAOYSA-N 0 0 300.383 3.667 50 0 DHAARN CCCCOc1ccc2cc(S(=O)(=O)NC(C)C)ccc2c1 ZINC000041105607 183166084 /nfs/dbraw/zinc/16/60/84/183166084.db2.gz TWLJUOTWNGOGCN-UHFFFAOYSA-N 0 0 321.442 3.705 50 0 DHAARN CC[C@@H](C)c1noc(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000041122042 183167955 /nfs/dbraw/zinc/16/79/55/183167955.db2.gz WIWLNNNYPNRYDJ-LLVKDONJSA-N 0 0 319.430 3.664 50 0 DHAARN CCc1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 ZINC000041122748 183168421 /nfs/dbraw/zinc/16/84/21/183168421.db2.gz RCMNOFYASQAPAQ-CQSZACIVSA-N 0 0 305.422 3.656 50 0 DHAARN O=C(C1CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042759870 183306042 /nfs/dbraw/zinc/30/60/42/183306042.db2.gz IAYPWLJNWZDOFX-UHFFFAOYSA-N 0 0 318.804 3.987 50 0 DHAARN Cc1noc(C)c1CC(=O)O[C@H](c1ccccc1)c1ccccn1 ZINC000042622481 183292023 /nfs/dbraw/zinc/29/20/23/183292023.db2.gz GVSRQOQWCVEUEH-LJQANCHMSA-N 0 0 322.364 3.562 50 0 DHAARN c1ccc2sc(NCc3ccnc(N4CCCC4)c3)nc2c1 ZINC000042677881 183295329 /nfs/dbraw/zinc/29/53/29/183295329.db2.gz NNGXPNUUTKKFSY-UHFFFAOYSA-N 0 0 310.426 3.904 50 0 DHAARN Cc1n[nH]cc1CCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000042668938 183295525 /nfs/dbraw/zinc/29/55/25/183295525.db2.gz PZPROLNBASPPNH-UHFFFAOYSA-N 0 0 316.474 3.761 50 0 DHAARN CC(C)=C[C@H]1[C@H](C(=O)Oc2ccc3c(c2)CCC(=O)N3)C1(C)C ZINC000042887299 183316880 /nfs/dbraw/zinc/31/68/80/183316880.db2.gz BYQDQLKEODSFHT-WMLDXEAASA-N 0 0 313.397 3.715 50 0 DHAARN NC(=O)c1cc(NCc2ccccc2C(F)(F)F)ccc1F ZINC000042792922 183308961 /nfs/dbraw/zinc/30/89/61/183308961.db2.gz WFOMHEOXWXRWPJ-UHFFFAOYSA-N 0 0 312.266 3.556 50 0 DHAARN O=C(Nc1cccc2cnccc21)N(Cc1ccccn1)C1CC1 ZINC000043168411 183343080 /nfs/dbraw/zinc/34/30/80/183343080.db2.gz FYFPMOFLICNWOE-UHFFFAOYSA-N 0 0 318.380 3.826 50 0 DHAARN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccn1 ZINC000043181378 183343909 /nfs/dbraw/zinc/34/39/09/183343909.db2.gz CFWUOMGJGFRYAB-IUODEOHRSA-N 0 0 301.415 3.751 50 0 DHAARN Cc1ccccc1C(=O)c1cccc(I)c1 ZINC000043210202 183344415 /nfs/dbraw/zinc/34/44/15/183344415.db2.gz FALNVZAMANZEPN-UHFFFAOYSA-N 0 0 322.145 3.831 50 0 DHAARN O=C(c1cccc(C2OCCO2)c1)c1ccc(Cl)cc1F ZINC000043212581 183345046 /nfs/dbraw/zinc/34/50/46/183345046.db2.gz XUQPDSCNOJWSAU-UHFFFAOYSA-N 0 0 306.720 3.756 50 0 DHAARN O=C(c1ccc(C2OCCO2)cc1)c1ccc(F)cc1Cl ZINC000043212675 183345384 /nfs/dbraw/zinc/34/53/84/183345384.db2.gz GRMYAVXVDYPZKH-UHFFFAOYSA-N 0 0 306.720 3.756 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccs2)on1 ZINC000043290570 183351181 /nfs/dbraw/zinc/35/11/81/183351181.db2.gz SZKSAOQFFATBIF-NEPJUHHUSA-N 0 0 305.403 3.652 50 0 DHAARN C[C@@H](c1ccccc1)N(C)C(=O)Nc1nnc(C2CC2)s1 ZINC000043359419 183357459 /nfs/dbraw/zinc/35/74/59/183357459.db2.gz NGJHLUNCWRFFTK-JTQLQIEISA-N 0 0 302.403 3.640 50 0 DHAARN O=C(NCc1ccccn1)Nc1ccccc1SC(F)F ZINC000043552832 183371290 /nfs/dbraw/zinc/37/12/90/183371290.db2.gz HFQBDRULBNPPDZ-UHFFFAOYSA-N 0 0 309.341 3.718 50 0 DHAARN CC(=O)Nc1ccc(NC(=O)N(C)Cc2sccc2C)cc1 ZINC000043652414 183377747 /nfs/dbraw/zinc/37/77/47/183377747.db2.gz CAVAHRCRGHDORR-UHFFFAOYSA-N 0 0 317.414 3.679 50 0 DHAARN CC(C)[C@@H](CNC(=O)c1ccnc(Cl)c1)Nc1ccccc1 ZINC000043695575 183381207 /nfs/dbraw/zinc/38/12/07/183381207.db2.gz AXOJMJJAQQLXJI-OAHLLOKOSA-N 0 0 317.820 3.602 50 0 DHAARN CCC(=O)Nc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000044106482 183394861 /nfs/dbraw/zinc/39/48/61/183394861.db2.gz ICZCCWMCMNRIRH-DOMZBBRYSA-N 0 0 303.406 3.735 50 0 DHAARN O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000044225385 183398450 /nfs/dbraw/zinc/39/84/50/183398450.db2.gz FICXPEZVUPSCTG-CQSZACIVSA-N 0 0 321.829 3.518 50 0 DHAARN O=C(Nc1ccnn1Cc1cccc2ccccc21)C1CCC1 ZINC000044566729 183423458 /nfs/dbraw/zinc/42/34/58/183423458.db2.gz DFVMSIUOEUTZPE-UHFFFAOYSA-N 0 0 305.381 3.823 50 0 DHAARN COc1cc(C)c(N[C@@H](C)c2nc(C(C)C)no2)cc1OC ZINC000044585541 183424969 /nfs/dbraw/zinc/42/49/69/183424969.db2.gz PPASAXBFTSZFBR-NSHDSACASA-N 0 0 305.378 3.692 50 0 DHAARN CCCCN(CC)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000044935687 183461475 /nfs/dbraw/zinc/46/14/75/183461475.db2.gz QVLHHELQOHNMKK-UHFFFAOYSA-N 0 0 305.422 3.935 50 0 DHAARN Cc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@H]3C)n[nH]2)cc1 ZINC000044837872 183441060 /nfs/dbraw/zinc/44/10/60/183441060.db2.gz SPYGAHBEJMBLAU-CQSZACIVSA-N 0 0 317.392 3.977 50 0 DHAARN COc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1OC ZINC000045442883 183508541 /nfs/dbraw/zinc/50/85/41/183508541.db2.gz YJJKKGYWGHRQGC-GFCCVEGCSA-N 0 0 324.380 3.676 50 0 DHAARN COc1nc2ccccc2nc1C(=O)Nc1ccccc1Cl ZINC000045967036 183542041 /nfs/dbraw/zinc/54/20/41/183542041.db2.gz HIJAVOIWDTWWNB-UHFFFAOYSA-N 0 0 313.744 3.544 50 0 DHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)on1 ZINC000047334151 183587518 /nfs/dbraw/zinc/58/75/18/183587518.db2.gz CZQILRMFUOUSOG-CYBMUJFWSA-N 0 0 307.300 3.630 50 0 DHAARN CC(C)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000106148270 194186718 /nfs/dbraw/zinc/18/67/18/194186718.db2.gz RUIWJDGPKKFHRA-JQFCIGGWSA-N 0 0 314.429 3.542 50 0 DHAARN CC[C@H](Nc1nccc(-c2cn(C)nc2C)n1)c1ccccc1 ZINC000048121753 183621991 /nfs/dbraw/zinc/62/19/91/183621991.db2.gz BAJYMVWSAZGSQB-INIZCTEOSA-N 0 0 307.401 3.749 50 0 DHAARN CCCC(CCC)C(=O)N1CCC(n2cc(C3CC3)nn2)CC1 ZINC000048130329 183622583 /nfs/dbraw/zinc/62/25/83/183622583.db2.gz COWUTNJOKZYDFM-UHFFFAOYSA-N 0 0 318.465 3.535 50 0 DHAARN O=C(CSCc1ccccn1)Nc1cccc2c1CCCC2 ZINC000048221931 183628551 /nfs/dbraw/zinc/62/85/51/183628551.db2.gz HOUQWCWFPREYCN-UHFFFAOYSA-N 0 0 312.438 3.832 50 0 DHAARN CC(=O)c1csc(C(=O)N(C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000106711996 194245562 /nfs/dbraw/zinc/24/55/62/194245562.db2.gz FYCNRLQMHQFJPB-VIFPVBQESA-N 0 0 322.455 3.857 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2c3ccnn3[C@@H](C)C[C@@H]2C)s1 ZINC000110572965 194339579 /nfs/dbraw/zinc/33/95/79/194339579.db2.gz FLFGIWXPCNBYRE-VTPLQMEGSA-N 0 0 315.442 3.743 50 0 DHAARN Cc1cccc(-c2ncc(CNCc3ccc(Cl)nc3)cn2)c1 ZINC000055120259 183965523 /nfs/dbraw/zinc/96/55/23/183965523.db2.gz GQTLQNXSPRTKLQ-UHFFFAOYSA-N 0 0 324.815 3.790 50 0 DHAARN Cc1cc(C)c(C)c(C(=O)NC[C@H](C)Oc2cccnc2)c1C ZINC000055358461 183981862 /nfs/dbraw/zinc/98/18/62/183981862.db2.gz JMJUJIKXNJXIGC-AWEZNQCLSA-N 0 0 312.413 3.513 50 0 DHAARN COCc1ccccc1NCc1nc(-c2cccs2)no1 ZINC000055848775 183998563 /nfs/dbraw/zinc/99/85/63/183998563.db2.gz NSWVHJDZLFJHKY-UHFFFAOYSA-N 0 0 301.371 3.557 50 0 DHAARN O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1ccccn1 ZINC000055519714 183990060 /nfs/dbraw/zinc/99/00/60/183990060.db2.gz ICZZWVKYHWHEOV-OAHLLOKOSA-N 0 0 312.438 3.999 50 0 DHAARN Cc1ccccc1C1(CNC(=O)[C@H]2CC=CCC2)CCOCC1 ZINC000055760811 183996202 /nfs/dbraw/zinc/99/62/02/183996202.db2.gz PPXWHXFGKZLZIS-KRWDZBQOSA-N 0 0 313.441 3.516 50 0 DHAARN CCOCCCNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000056730389 184018349 /nfs/dbraw/zinc/01/83/49/184018349.db2.gz BAIXMCKGHSTSJJ-UHFFFAOYSA-N 0 0 317.389 3.507 50 0 DHAARN O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H]1C1CCCC1 ZINC000056035246 184003462 /nfs/dbraw/zinc/00/34/62/184003462.db2.gz JIXZATVKCKFNHQ-MRXNPFEDSA-N 0 0 311.385 3.531 50 0 DHAARN O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H]1c1ccccn1 ZINC000056276305 184008775 /nfs/dbraw/zinc/00/87/75/184008775.db2.gz KDYKFABTYQUWNM-QGZVFWFLSA-N 0 0 319.364 3.714 50 0 DHAARN Cc1cc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C)no1 ZINC000056342108 184010723 /nfs/dbraw/zinc/01/07/23/184010723.db2.gz ZEIKDDCMLYXSDL-LLVKDONJSA-N 0 0 310.357 3.616 50 0 DHAARN C/C(=C\C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)C1CC1 ZINC000057072342 184026273 /nfs/dbraw/zinc/02/62/73/184026273.db2.gz QYPVKVGVLRNVRU-HFBDAHEESA-N 0 0 310.397 3.890 50 0 DHAARN O=c1ccc(-c2ccccc2)nn1CN1CCC[C@H]1C1CCCC1 ZINC000057091316 184026847 /nfs/dbraw/zinc/02/68/47/184026847.db2.gz BDVRRMQFLRJPEA-IBGZPJMESA-N 0 0 323.440 3.522 50 0 DHAARN Cc1cc(C)nc(SCC(=O)NC(C)(C)CC(C)(C)C)n1 ZINC000057156219 184028470 /nfs/dbraw/zinc/02/84/70/184028470.db2.gz KXZIYWUVEIJICO-UHFFFAOYSA-N 0 0 309.479 3.517 50 0 DHAARN CSc1cccc(NC(=O)CC(=O)Nc2ccc(C)cc2)c1 ZINC000057291837 184032503 /nfs/dbraw/zinc/03/25/03/184032503.db2.gz DCJHZOFIBSYFNJ-UHFFFAOYSA-N 0 0 314.410 3.684 50 0 DHAARN Cc1ccc(NC(=O)c2ccccn2)c(OCC(F)(F)F)c1 ZINC000056989765 184023490 /nfs/dbraw/zinc/02/34/90/184023490.db2.gz FQOULFXTWXZBMV-UHFFFAOYSA-N 0 0 310.275 3.583 50 0 DHAARN Cc1ccc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)cc1 ZINC000057354770 184035089 /nfs/dbraw/zinc/03/50/89/184035089.db2.gz COZBZHXDCJJFGX-UHFFFAOYSA-N 0 0 317.348 3.564 50 0 DHAARN O=C(NCCc1cccs1)c1cc2cc(Cl)ccc2[nH]1 ZINC000057416215 184037866 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3.781 50 0 DHAARN CCOc1ccccc1[C@@H]1C[C@H](NC(C)=O)C[C@H](C(C)(C)C)O1 ZINC000065408400 184339141 /nfs/dbraw/zinc/33/91/41/184339141.db2.gz SZLQPVQURLGNIA-JCGIZDLHSA-N 0 0 319.445 3.856 50 0 DHAARN CC[C@H](Nc1ncnc2sc(C)c(C)c21)c1nc(C)no1 ZINC000065410160 184340091 /nfs/dbraw/zinc/34/00/91/184340091.db2.gz NRDMDMLWRGPHSD-JTQLQIEISA-N 0 0 303.391 3.563 50 0 DHAARN CCN(C(=O)Nc1cccc(NC(=O)OC)c1)[C@H](C)C(C)C ZINC000065413010 184340754 /nfs/dbraw/zinc/34/07/54/184340754.db2.gz FSVSAQRIBSGUJG-GFCCVEGCSA-N 0 0 307.394 3.763 50 0 DHAARN Cc1ccc(-n2nc(C3CC3)nc2[C@H](O)c2ccccc2)cc1C ZINC000065419675 184341291 /nfs/dbraw/zinc/34/12/91/184341291.db2.gz KMXGUXGEUSVHIZ-GOSISDBHSA-N 0 0 319.408 3.843 50 0 DHAARN CC(C)=Cc1c(-c2ccccc2)ncn1[C@H](CO)c1cccnc1 ZINC000065451772 184346995 /nfs/dbraw/zinc/34/69/95/184346995.db2.gz LDZURUZAYBBRIU-LJQANCHMSA-N 0 0 319.408 3.950 50 0 DHAARN Cc1csc([C@H]2CN(Cc3ccc(Cl)s3)CCO2)n1 ZINC000065464733 184349424 /nfs/dbraw/zinc/34/94/24/184349424.db2.gz XQEWGBBLHWWGAP-LLVKDONJSA-N 0 0 314.863 3.740 50 0 DHAARN COc1ccc(C)cc1-c1nc(C(C)C)nn1-c1ccccn1 ZINC000065396750 184335449 /nfs/dbraw/zinc/33/54/49/184335449.db2.gz JXUIWXGHKMSBAZ-UHFFFAOYSA-N 0 0 308.385 3.770 50 0 DHAARN CC(=O)N[C@H]1C[C@@H](CC(C)C)O[C@@H](CCc2ccccc2)C1 ZINC000065534204 184361655 /nfs/dbraw/zinc/36/16/55/184361655.db2.gz FXAHTIGDXJZFAJ-CEXWTWQISA-N 0 0 303.446 3.718 50 0 DHAARN O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1cccc2[nH]ccc21 ZINC000065536796 184362395 /nfs/dbraw/zinc/36/23/95/184362395.db2.gz LMYKQPBYWVOMLD-FNORWQNLSA-N 0 0 320.348 3.591 50 0 DHAARN O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H]1CO ZINC000065541033 184362972 /nfs/dbraw/zinc/36/29/72/184362972.db2.gz GFMDFTRUVGNHFW-ZDUSSCGKSA-N 0 0 320.458 3.710 50 0 DHAARN Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@H](C)c2ccccc21 ZINC000065549401 184364313 /nfs/dbraw/zinc/36/43/13/184364313.db2.gz YTEVONSKLNBIOL-JTQLQIEISA-N 0 0 319.355 3.588 50 0 DHAARN O=C(c1cnccn1)N(Cc1ccccc1F)C1CCCCC1 ZINC000065551629 184364781 /nfs/dbraw/zinc/36/47/81/184364781.db2.gz XMNCECKALCHDSS-UHFFFAOYSA-N 0 0 313.376 3.591 50 0 DHAARN CCCNC(=O)[C@H](C)SCc1ccccc1Br ZINC000065562956 184366219 /nfs/dbraw/zinc/36/62/19/184366219.db2.gz XBSLHSNMPCKDGY-JTQLQIEISA-N 0 0 316.264 3.597 50 0 DHAARN C[C@H](c1nc(C(C)(C)C)no1)N1CCC[C@H](C(F)(F)F)C1 ZINC000065564703 184366579 /nfs/dbraw/zinc/36/65/79/184366579.db2.gz NEVQKUBIYZLIMZ-ZJUUUORDSA-N 0 0 305.344 3.702 50 0 DHAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC2CCCC2)c(C)c1 ZINC000065585570 184368587 /nfs/dbraw/zinc/36/85/87/184368587.db2.gz OGXZITRWMCVDSH-CYBMUJFWSA-N 0 0 317.433 3.587 50 0 DHAARN C/C(=C/C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000065587665 184369161 /nfs/dbraw/zinc/36/91/61/184369161.db2.gz BTSQOCMAWMGEIS-SEYXRHQNSA-N 0 0 319.832 3.818 50 0 DHAARN Cc1c(NC(=O)c2ccco2)cccc1-c1n[nH]c(C2CC2)n1 ZINC000065508310 184356619 /nfs/dbraw/zinc/35/66/19/184356619.db2.gz XSAZGSVDSYKVSE-UHFFFAOYSA-N 0 0 308.341 3.503 50 0 DHAARN Cc1ccc(OCc2nnc(SC[C@H]3CCCCO3)o2)cc1 ZINC000065521169 184358916 /nfs/dbraw/zinc/35/89/16/184358916.db2.gz KSGKOPKQHWDWLC-CQSZACIVSA-N 0 0 320.414 3.618 50 0 DHAARN O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C/c1cscn1 ZINC000065623001 184374734 /nfs/dbraw/zinc/37/47/34/184374734.db2.gz SWZDQPLTLHEUFA-VZUCSPMQSA-N 0 0 324.283 3.506 50 0 DHAARN Cc1occc1C(=O)N(C)c1ccc(Br)cc1F ZINC000065864152 184381582 /nfs/dbraw/zinc/38/15/82/184381582.db2.gz AXGABVOEQONUHQ-UHFFFAOYSA-N 0 0 312.138 3.766 50 0 DHAARN CCc1ccc(C(=O)Nc2ccc(Cn3ccnc3C)cc2)o1 ZINC000066624512 184419500 /nfs/dbraw/zinc/41/95/00/184419500.db2.gz CNIWRKKKDVJCJR-UHFFFAOYSA-N 0 0 309.369 3.648 50 0 DHAARN CSc1cccc(NC(=O)c2cc3ccccc3oc2=N)c1 ZINC000067341946 184461292 /nfs/dbraw/zinc/46/12/92/184461292.db2.gz BCZDVTKROAAGPO-UHFFFAOYSA-N 0 0 310.378 3.886 50 0 DHAARN Cc1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)no1 ZINC000067608085 184474620 /nfs/dbraw/zinc/47/46/20/184474620.db2.gz ZOMKMQVDYYLBQH-HNNXBMFYSA-N 0 0 319.792 3.587 50 0 DHAARN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccnc1 ZINC000069437305 184514780 /nfs/dbraw/zinc/51/47/80/184514780.db2.gz JLBNUDMVYFIMAZ-UHFFFAOYSA-N 0 0 309.196 3.637 50 0 DHAARN c1ccc(-c2nccc(N3CCC[C@@H]3c3ccccn3)n2)cc1 ZINC000069538973 184524650 /nfs/dbraw/zinc/52/46/50/184524650.db2.gz NGIKJBOSPUOIFA-QGZVFWFLSA-N 0 0 302.381 3.880 50 0 DHAARN CC(C)N(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000069559734 184525367 /nfs/dbraw/zinc/52/53/67/184525367.db2.gz GCWQBOKMADVUNW-HOTGVXAUSA-N 0 0 317.820 3.619 50 0 DHAARN Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000120657745 195209533 /nfs/dbraw/zinc/20/95/33/195209533.db2.gz MEIZDGJBJJKLTF-NEPJUHHUSA-N 0 0 304.413 3.892 50 0 DHAARN COc1ccc(C)cc1NC(=O)COc1ccccc1Cl ZINC000002623966 256515240 /nfs/dbraw/zinc/51/52/40/256515240.db2.gz QCZRWUHMICGGSG-UHFFFAOYSA-N 0 0 305.761 3.675 50 0 DHAARN CCn1nc(C)cc1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000013699572 257233616 /nfs/dbraw/zinc/23/36/16/257233616.db2.gz DOWZADLQLOKQAW-UHFFFAOYSA-N 0 0 318.427 3.649 50 0 DHAARN C[C@H]1CCN(C(=O)c2ccnc(Cl)c2)c2ccccc2N1 ZINC000096424003 257210588 /nfs/dbraw/zinc/21/05/88/257210588.db2.gz HQLXAYJXDOREEK-NSHDSACASA-N 0 0 301.777 3.586 50 0 DHAARN Cc1nc(-c2ccc(CCNC(=O)C3CCCC3)cc2)cs1 ZINC000014198153 257210864 /nfs/dbraw/zinc/21/08/64/257210864.db2.gz LYBCJXNHNOXCJS-UHFFFAOYSA-N 0 0 314.454 3.967 50 0 DHAARN C[C@H](c1ccco1)N(C(=O)Nc1cnc(C2CC2)nc1)C1CC1 ZINC000095409908 257271899 /nfs/dbraw/zinc/27/18/99/257271899.db2.gz GVKMUFVYWBXABO-LLVKDONJSA-N 0 0 312.373 3.705 50 0 DHAARN C[C@@]12CN(C(=O)c3ccc(-c4cnco4)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452606629 257235358 /nfs/dbraw/zinc/23/53/58/257235358.db2.gz PMRJJUAJDQBLHX-YLAKUSLOSA-N 0 0 320.392 3.626 50 0 DHAARN CC(C)c1ccc(S(=O)(=O)Cc2ccncc2Cl)cc1 ZINC000350802180 257235878 /nfs/dbraw/zinc/23/58/78/257235878.db2.gz MYFCNPXVFXMXRD-UHFFFAOYSA-N 0 0 309.818 3.832 50 0 DHAARN Cc1ccccc1-c1nnc(SCCc2cccnc2)n1C ZINC000134302794 257239543 /nfs/dbraw/zinc/23/95/43/257239543.db2.gz FLRHEKQZRZTVNW-UHFFFAOYSA-N 0 0 310.426 3.520 50 0 DHAARN C[C@H](c1cccnc1)N(C)C(=O)c1cc(F)c(Cl)cc1F ZINC000136634541 257239630 /nfs/dbraw/zinc/23/96/30/257239630.db2.gz CRQLZGOINJTZOU-SECBINFHSA-N 0 0 310.731 3.846 50 0 DHAARN O=C(CC[C@H]1CCOC1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000521394402 257241527 /nfs/dbraw/zinc/24/15/27/257241527.db2.gz KBLLLPMTAATKEP-IHRRRGAJSA-N 0 0 307.821 3.519 50 0 DHAARN CCN(C(=O)N[C@H](C)c1ccccc1Cl)C1CCOCC1 ZINC000426712629 257243563 /nfs/dbraw/zinc/24/35/63/257243563.db2.gz LHAJRMZDHMFKCN-GFCCVEGCSA-N 0 0 310.825 3.612 50 0 DHAARN O=C(c1cc(-c2cc(F)cc3cccnc32)c[nH]1)N1CCCCC1 ZINC000426544640 257246955 /nfs/dbraw/zinc/24/69/55/257246955.db2.gz FDJTXXWRJNXCSD-UHFFFAOYSA-N 0 0 323.371 3.995 50 0 DHAARN CCc1cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc(=O)[nH]1 ZINC000426548491 257246989 /nfs/dbraw/zinc/24/69/89/257246989.db2.gz JMDPHOIBQRINJZ-KRWDZBQOSA-N 0 0 324.424 3.615 50 0 DHAARN CCCCCCOc1ccc(-c2ccc(=O)n(C)n2)c(F)c1F ZINC000426465071 257250030 /nfs/dbraw/zinc/25/00/30/257250030.db2.gz CPGQTKFOYUUBEW-UHFFFAOYSA-N 0 0 322.355 3.685 50 0 DHAARN C[C@H](c1ccon1)N(C)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000426361912 257253113 /nfs/dbraw/zinc/25/31/13/257253113.db2.gz INIDMWWVOKQKNH-CYBMUJFWSA-N 0 0 322.364 3.880 50 0 DHAARN CC1(C)CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@@H]1c1ccccc1 ZINC000426361028 257253417 /nfs/dbraw/zinc/25/34/17/257253417.db2.gz BCQIGKSKBOVYHZ-GFCCVEGCSA-N 0 0 319.355 3.613 50 0 DHAARN Cc1cc(C(=O)N[C@H](C)c2nncn2C2CCCC2)sc1C ZINC000426369132 257253520 /nfs/dbraw/zinc/25/35/20/257253520.db2.gz GKPWPIJZECUONW-LLVKDONJSA-N 0 0 318.446 3.563 50 0 DHAARN Brc1ccc(-c2csc([C@@H]3CCCO3)n2)nc1 ZINC000408524334 257254434 /nfs/dbraw/zinc/25/44/34/257254434.db2.gz SIMYRPWWWCOMDB-NSHDSACASA-N 0 0 311.204 3.819 50 0 DHAARN CCO[C@H]1CCN(C(=O)c2csc3ccccc23)C[C@H]1C ZINC000408519870 257255450 /nfs/dbraw/zinc/25/54/50/257255450.db2.gz JQSKMSYPMWPJIS-DOMZBBRYSA-N 0 0 303.427 3.788 50 0 DHAARN CC(C)(CO)[C@@H](NCc1c(F)cccc1Cl)c1cccnc1 ZINC000408518980 257255629 /nfs/dbraw/zinc/25/56/29/257255629.db2.gz OZTVYBIDWARUQC-INIZCTEOSA-N 0 0 322.811 3.724 50 0 DHAARN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000252019642 257259077 /nfs/dbraw/zinc/25/90/77/257259077.db2.gz XQGUNDHTJBXPCU-MGPQQGTHSA-N 0 0 301.411 3.981 50 0 DHAARN COc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000000012097 257260871 /nfs/dbraw/zinc/26/08/71/257260871.db2.gz ZAWKTTWMHRNZKR-UHFFFAOYSA-N 0 0 310.349 3.997 50 0 biogenic DHAARN Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OC(C)C)c(C)c1 ZINC000000136071 257266322 /nfs/dbraw/zinc/26/63/22/257266322.db2.gz CSIGETWJTRGNHT-HOTGVXAUSA-N 0 0 315.413 3.776 50 0 DHAARN S=C(NCc1ccccc1)Nc1ccc(Br)cc1 ZINC000000129399 257266379 /nfs/dbraw/zinc/26/63/79/257266379.db2.gz JALYRNXLPVFVLQ-UHFFFAOYSA-N 0 0 321.243 3.936 50 0 DHAARN CCOc1ccccc1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000000129499 257266425 /nfs/dbraw/zinc/26/64/25/257266425.db2.gz XWTQMODCYCSZHD-UHFFFAOYSA-N 0 0 324.332 3.719 50 0 biogenic DHAARN Cc1cccc(OCC(=O)Nc2cccc(Br)c2)c1 ZINC000000129364 257266527 /nfs/dbraw/zinc/26/65/27/257266527.db2.gz FRKPZFHFGSQJCS-UHFFFAOYSA-N 0 0 320.186 3.775 50 0 DHAARN COc1cccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)c1 ZINC000000466715 257266841 /nfs/dbraw/zinc/26/68/41/257266841.db2.gz FOMXWNAHEUHOAK-UHFFFAOYSA-N 0 0 319.426 3.794 50 0 DHAARN O=C(OCc1ccc(Cl)cc1)c1cc(=O)c2ccccc2o1 ZINC000003228322 257267246 /nfs/dbraw/zinc/26/72/46/257267246.db2.gz TUBLEFXIROLNJG-UHFFFAOYSA-N 0 0 314.724 3.803 50 0 DHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccccc1 ZINC000003530156 257267551 /nfs/dbraw/zinc/26/75/51/257267551.db2.gz VPAGOPLJZQOZCG-GFCCVEGCSA-N 0 0 318.756 3.533 50 0 DHAARN COc1ccccc1-c1n[nH]c(C2CC2)c1NC(=O)C(C)(C)C ZINC000034796281 257269827 /nfs/dbraw/zinc/26/98/27/257269827.db2.gz FWQHTAASALRRAJ-UHFFFAOYSA-N 0 0 313.401 3.947 50 0 DHAARN COc1ccccc1-c1n[nH]c(C)c1NC(=O)c1cccs1 ZINC000034796248 257269844 /nfs/dbraw/zinc/26/98/44/257269844.db2.gz PEIAAUWEEQSBJV-UHFFFAOYSA-N 0 0 313.382 3.708 50 0 DHAARN CC(C)(C)c1ncc(C(=O)N2CCC[C@H]2c2ccc[nH]2)s1 ZINC000071827906 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DHAARN COc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000000301500 563237874 /nfs/dbraw/zinc/23/78/74/563237874.db2.gz LMUQWNSHNXAYFP-UHFFFAOYSA-N 0 0 306.159 3.710 50 0 DHAARN Cc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 ZINC000000306938 563238394 /nfs/dbraw/zinc/23/83/94/563238394.db2.gz NWVSXFMZXIURTH-UHFFFAOYSA-N 0 0 304.777 3.840 50 0 DHAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cccnc1 ZINC000000309201 563239009 /nfs/dbraw/zinc/23/90/09/563239009.db2.gz SRUDJIQKKBQOHI-UHFFFAOYSA-N 0 0 302.377 3.608 50 0 DHAARN CCC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)CC)ccc1-2 ZINC000000312691 563239714 /nfs/dbraw/zinc/23/97/14/563239714.db2.gz ZRNDTHFMFAEKRO-UHFFFAOYSA-N 0 0 308.381 3.955 50 0 DHAARN O=Cc1ccc(OC(=O)c2ccccc2F)c(Br)c1 ZINC000000312772 563239844 /nfs/dbraw/zinc/23/98/44/563239844.db2.gz UKWSSBKEMDNOLA-UHFFFAOYSA-N 0 0 323.117 3.620 50 0 DHAARN COc1ccccc1CNC(=O)COc1ccc(C(C)C)cc1 ZINC000000318844 563240705 /nfs/dbraw/zinc/24/07/05/563240705.db2.gz JJHZQSQWXNDILG-UHFFFAOYSA-N 0 0 313.397 3.514 50 0 DHAARN COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1ccco1 ZINC000000317648 563240949 /nfs/dbraw/zinc/24/09/49/563240949.db2.gz RNLJNOVVLSLENN-UHFFFAOYSA-N 0 0 316.357 3.525 50 0 DHAARN COc1ccc(Cl)cc1NC(=O)[C@H](OC)c1ccccc1 ZINC000000328829 563241424 /nfs/dbraw/zinc/24/14/24/563241424.db2.gz DTVUHKBSONUYRD-OAHLLOKOSA-N 0 0 305.761 3.675 50 0 DHAARN CC(C)CC(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000000342054 563242148 /nfs/dbraw/zinc/24/21/48/563242148.db2.gz XBBYBJYWNLZJHX-UHFFFAOYSA-N 0 0 304.337 3.565 50 0 DHAARN COc1cccc(C(=O)Oc2ccc(Br)cc2)c1 ZINC000000347275 563242832 /nfs/dbraw/zinc/24/28/32/563242832.db2.gz NHPXGYFSZMGOOF-UHFFFAOYSA-N 0 0 307.143 3.677 50 0 DHAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1 ZINC000000348172 563243174 /nfs/dbraw/zinc/24/31/74/563243174.db2.gz FNMHGUJLDLJMPQ-UHFFFAOYSA-N 0 0 314.410 3.627 50 0 DHAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000000348169 563243211 /nfs/dbraw/zinc/24/32/11/563243211.db2.gz JOOTXDUVAHWFLS-UHFFFAOYSA-N 0 0 302.399 3.529 50 0 DHAARN CC[C@H](C)Nc1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000000352630 563243896 /nfs/dbraw/zinc/24/38/96/563243896.db2.gz BHIJZTRBCQZDRH-NSHDSACASA-N 0 0 315.808 3.738 50 0 DHAARN Cc1cc(Cl)ccc1OCc1nc(-c2cccnc2)no1 ZINC000000352136 563243925 /nfs/dbraw/zinc/24/39/25/563243925.db2.gz HOIZCACJRHJRJW-UHFFFAOYSA-N 0 0 301.733 3.672 50 0 DHAARN CC(C)Oc1ccc([C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000356632 563243928 /nfs/dbraw/zinc/24/39/28/563243928.db2.gz JDBFRWBNRITDBA-QGZVFWFLSA-N 0 0 309.365 3.521 50 0 DHAARN NC(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12 ZINC000000357608 563244193 /nfs/dbraw/zinc/24/41/93/563244193.db2.gz DDKDHNUJOJYNKW-OUKQBFOZSA-N 0 0 316.360 3.591 50 0 DHAARN Cc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1Cl ZINC000000361108 563244242 /nfs/dbraw/zinc/24/42/42/563244242.db2.gz KHWNRZIMAZOKST-UHFFFAOYSA-N 0 0 322.792 3.914 50 0 DHAARN COc1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000362074 563244905 /nfs/dbraw/zinc/24/49/05/563244905.db2.gz WGLHRXOYSJCHDB-UHFFFAOYSA-N 0 0 305.761 3.675 50 0 DHAARN CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000000364330 563245406 /nfs/dbraw/zinc/24/54/06/563245406.db2.gz ZHXZNLVAMNRFIB-OAHLLOKOSA-N 0 0 312.413 3.939 50 0 DHAARN COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C)c2)c1 ZINC000000365543 563245815 /nfs/dbraw/zinc/24/58/15/563245815.db2.gz AQCQWKAMJVCZQB-UHFFFAOYSA-N 0 0 303.745 3.687 50 0 DHAARN O=C(Cc1c(F)cccc1Cl)NCCc1ccc(F)cc1 ZINC000000367271 563246070 /nfs/dbraw/zinc/24/60/70/563246070.db2.gz MKBCWKKITVDHOA-UHFFFAOYSA-N 0 0 309.743 3.520 50 0 DHAARN O=C(CC1c2ccccc2Oc2ccccc21)NC[C@@H]1CCCO1 ZINC000000382028 563247736 /nfs/dbraw/zinc/24/77/36/563247736.db2.gz KICIBKATTKPDRH-AWEZNQCLSA-N 0 0 323.392 3.610 50 0 DHAARN CCCc1nn(C)c(C(=O)Nc2cccc(C)c2C)c1Cl ZINC000000385500 563248641 /nfs/dbraw/zinc/24/86/41/563248641.db2.gz BVUCUGKIOWSHCW-UHFFFAOYSA-N 0 0 305.809 3.895 50 0 DHAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccncc1 ZINC000000387708 563249313 /nfs/dbraw/zinc/24/93/13/563249313.db2.gz BHWSEAQFDVNHFU-UHFFFAOYSA-N 0 0 300.745 3.720 50 0 DHAARN COc1ccc(-c2noc(-c3cc4ccccc4oc3=O)n2)cc1 ZINC000000386270 563249362 /nfs/dbraw/zinc/24/93/62/563249362.db2.gz WHENBKZFFNJZMH-UHFFFAOYSA-N 0 0 320.304 3.519 50 0 DHAARN CCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000000404581 563251441 /nfs/dbraw/zinc/25/14/41/563251441.db2.gz AISSHVKDEWSZKG-UHFFFAOYSA-N 0 0 303.985 3.650 50 0 DHAARN COc1cc(CCc2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000000400272 563251012 /nfs/dbraw/zinc/25/10/12/563251012.db2.gz JMNPTZPSNHUERJ-UHFFFAOYSA-N 0 0 302.370 3.506 50 0 in-vitro DHAARN CC(C)c1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000000409624 563252052 /nfs/dbraw/zinc/25/20/52/563252052.db2.gz FUSFWQYMJFGRBK-UHFFFAOYSA-N 0 0 312.369 3.860 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3NCc2ccco2)c(C)c1 ZINC000000425614 563252616 /nfs/dbraw/zinc/25/26/16/563252616.db2.gz QSXITEMSVQUYHF-UHFFFAOYSA-N 0 0 319.368 3.637 50 0 DHAARN CCCN(CCC)c1ncnc2c1cnn2-c1cccc(C)c1 ZINC000000426409 563252657 /nfs/dbraw/zinc/25/26/57/563252657.db2.gz FJWVBYSHXMPTIX-UHFFFAOYSA-N 0 0 309.417 3.750 50 0 DHAARN O=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)cc1 ZINC000000421728 563252870 /nfs/dbraw/zinc/25/28/70/563252870.db2.gz GHOSLWGGGQYWDD-UHFFFAOYSA-N 0 0 320.370 3.912 50 0 DHAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)OC)c2C(N)=O)C1 ZINC000000434047 563253211 /nfs/dbraw/zinc/25/32/11/563253211.db2.gz JKWTYUNQWDXQCX-SECBINFHSA-N 0 0 324.446 3.566 50 0 DHAARN COc1cc(NC(=O)Cc2cccs2)c(OC)cc1Cl ZINC000000434776 563253477 /nfs/dbraw/zinc/25/34/77/563253477.db2.gz FOGLQEUDCIATOD-UHFFFAOYSA-N 0 0 311.790 3.600 50 0 DHAARN COc1nc(Nc2ccc(C)cc2)nc(NC2CCCCC2)n1 ZINC000000439562 563253938 /nfs/dbraw/zinc/25/39/38/563253938.db2.gz OGXOKUCEMQCDCB-UHFFFAOYSA-N 0 0 313.405 3.677 50 0 DHAARN O=C1C=C(c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000000440029 563254063 /nfs/dbraw/zinc/25/40/63/563254063.db2.gz FITSTRUPDOEWDH-UHFFFAOYSA-N 0 0 318.159 3.950 50 0 DHAARN COc1ccc(NC(=O)c2cc(Cl)ccc2OC)c(OC)c1 ZINC000000442316 563254310 /nfs/dbraw/zinc/25/43/10/563254310.db2.gz DUWVONVQYZGGOD-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN COc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000000441558 563254526 /nfs/dbraw/zinc/25/45/26/563254526.db2.gz DHWVDKRDEGAFBU-UHFFFAOYSA-N 0 0 311.259 3.846 50 0 DHAARN O=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)F ZINC000000442203 563254579 /nfs/dbraw/zinc/25/45/79/563254579.db2.gz WIYQUGLQLHRYPZ-UHFFFAOYSA-N 0 0 307.315 3.887 50 0 DHAARN O=C(CSCc1ccc(Cl)cc1)NCCc1ccccc1 ZINC000000443964 563255155 /nfs/dbraw/zinc/25/51/55/563255155.db2.gz PJHRHCWVVKGZEQ-UHFFFAOYSA-N 0 0 319.857 3.932 50 0 DHAARN S=C(NCc1cccnc1)Nc1ccc(Cl)cc1Cl ZINC000000446789 563255521 /nfs/dbraw/zinc/25/55/21/563255521.db2.gz VPQWRDCZAJXRPF-UHFFFAOYSA-N 0 0 312.225 3.875 50 0 DHAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000446416 563255627 /nfs/dbraw/zinc/25/56/27/563255627.db2.gz BGYVDDMSGBUFQB-UHFFFAOYSA-N 0 0 311.410 3.911 50 0 DHAARN COc1ccccc1CNC(=O)COc1ccc2ccccc2c1 ZINC000000447140 563255704 /nfs/dbraw/zinc/25/57/04/563255704.db2.gz JMCDZTIPHURBDU-UHFFFAOYSA-N 0 0 321.376 3.544 50 0 DHAARN CCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000450323 563256106 /nfs/dbraw/zinc/25/61/06/563256106.db2.gz SQDJQNCZAFYSME-BUHFOSPRSA-N 0 0 317.392 3.689 50 0 DHAARN COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1Cl ZINC000000450706 563256235 /nfs/dbraw/zinc/25/62/35/563256235.db2.gz WDTDNQCOFROZMB-UHFFFAOYSA-N 0 0 321.760 3.618 50 0 DHAARN COc1ccc(NC(=O)[C@H](OC)c2ccccc2)cc1Cl ZINC000000453511 563256535 /nfs/dbraw/zinc/25/65/35/563256535.db2.gz YWKLPSRAQGDBEA-OAHLLOKOSA-N 0 0 305.761 3.675 50 0 DHAARN Cc1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000000452346 563256711 /nfs/dbraw/zinc/25/67/11/563256711.db2.gz AUAVOMDYXONTLH-UHFFFAOYSA-N 0 0 304.802 3.775 50 0 DHAARN CCCN(CCC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000454160 563257281 /nfs/dbraw/zinc/25/72/81/563257281.db2.gz JCLJUVIEIFKSAA-UHFFFAOYSA-N 0 0 310.246 3.804 50 0 DHAARN NC(=O)c1sc2nc(C3CC3)cc(-c3ccccc3)c2c1N ZINC000000457529 563257829 /nfs/dbraw/zinc/25/78/29/563257829.db2.gz KCJZDAVRITZNNV-UHFFFAOYSA-N 0 0 309.394 3.522 50 0 DHAARN COc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000000461909 563258885 /nfs/dbraw/zinc/25/88/85/563258885.db2.gz UPGXWLJMIJNXFP-UHFFFAOYSA-N 0 0 312.369 3.542 50 0 DHAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000000462854 563258924 /nfs/dbraw/zinc/25/89/24/563258924.db2.gz RHEPCAFTDWLGCC-UHFFFAOYSA-N 0 0 317.414 3.770 50 0 DHAARN COc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000000462696 563259182 /nfs/dbraw/zinc/25/91/82/563259182.db2.gz DLZQTYYJDUMRQJ-UHFFFAOYSA-N 0 0 300.745 3.989 50 0 DHAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCCO1 ZINC000000467440 563259374 /nfs/dbraw/zinc/25/93/74/563259374.db2.gz FTCRAAUOPMIEPT-MRXNPFEDSA-N 0 0 308.337 3.612 50 0 DHAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000000471598 563260738 /nfs/dbraw/zinc/26/07/38/563260738.db2.gz JUNHKRAFRZZKIX-UHFFFAOYSA-N 0 0 314.772 3.719 50 0 DHAARN Cc1ccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000476598 563262355 /nfs/dbraw/zinc/26/23/55/563262355.db2.gz FUBWWKPGZKXROB-CYBMUJFWSA-N 0 0 303.789 3.732 50 0 DHAARN CC(=O)Nc1ccc(Cc2ccc(C)c(NC(C)=O)c2)cc1C ZINC000000484544 563262916 /nfs/dbraw/zinc/26/29/16/563262916.db2.gz HHGFROBWTWAYGW-UHFFFAOYSA-N 0 0 310.397 3.811 50 0 DHAARN Cc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1 ZINC000000529655 563264643 /nfs/dbraw/zinc/26/46/43/563264643.db2.gz MVCRJTYRSKOGAB-UHFFFAOYSA-N 0 0 306.394 3.612 50 0 DHAARN CN(C)c1ncc2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O ZINC000000538221 563265551 /nfs/dbraw/zinc/26/55/51/563265551.db2.gz FQVIVDHLNNQSOM-CQSZACIVSA-N 0 0 323.440 3.753 50 0 DHAARN Clc1ccccc1-c1nn2c(nnc2-c2cccnc2)s1 ZINC000000531221 563265643 /nfs/dbraw/zinc/26/56/43/563265643.db2.gz KLBIKCAXFSMLHM-UHFFFAOYSA-N 0 0 313.773 3.568 50 0 DHAARN COC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000552123 563266230 /nfs/dbraw/zinc/26/62/30/563266230.db2.gz SUGGFFIUTHZCOF-UHFFFAOYSA-N 0 0 301.125 3.952 50 0 DHAARN CC(=O)c1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000000610146 563268721 /nfs/dbraw/zinc/26/87/21/563268721.db2.gz CGCYEPPBGPPQQH-UHFFFAOYSA-N 0 0 316.788 3.907 50 0 DHAARN CC(C)c1ccccc1OCCn1cnc2ccccc2c1=O ZINC000000613863 563269347 /nfs/dbraw/zinc/26/93/47/563269347.db2.gz UGDPLVMLCYXBME-UHFFFAOYSA-N 0 0 308.381 3.599 50 0 DHAARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000000613408 563269461 /nfs/dbraw/zinc/26/94/61/563269461.db2.gz UUFYFLSFNOPPKX-GOSISDBHSA-N 0 0 308.381 3.783 50 0 DHAARN Cc1ccc(NC(=O)CSc2nncc3ccccc32)cc1 ZINC000000614659 563269868 /nfs/dbraw/zinc/26/98/68/563269868.db2.gz USDZTYWDAGWLLE-UHFFFAOYSA-N 0 0 309.394 3.669 50 0 DHAARN COc1ccc(Cl)cc1-n1cnc2sc(C)c(C)c2c1=O ZINC000000617908 563270385 /nfs/dbraw/zinc/27/03/85/563270385.db2.gz XMHZKPNXZIOXLJ-UHFFFAOYSA-N 0 0 320.801 3.726 50 0 DHAARN Cc1c(C=O)c2ccccc2n1CC(=O)N[C@H](C)c1ccccc1 ZINC000000618868 563270611 /nfs/dbraw/zinc/27/06/11/563270611.db2.gz FIEFGDVYXYHVJQ-CQSZACIVSA-N 0 0 320.392 3.640 50 0 DHAARN CCCC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC000000620255 563271237 /nfs/dbraw/zinc/27/12/37/563271237.db2.gz CGJNEWQOXXTQJV-UHFFFAOYSA-N 0 0 322.408 3.624 50 0 DHAARN CCC(CC)c1nnc(NC(=O)c2cccc(OC)c2)s1 ZINC000000804686 563271737 /nfs/dbraw/zinc/27/17/37/563271737.db2.gz SARNQXOPVIGURV-UHFFFAOYSA-N 0 0 305.403 3.703 50 0 DHAARN COc1ccc2c(c1)C1=NC(=S)N[C@H](c3ccccc3)C1CC2 ZINC000000759175 563271829 /nfs/dbraw/zinc/27/18/29/563271829.db2.gz DOSXUEMJMVHMKN-QGZVFWFLSA-N 0 0 322.433 3.983 50 0 DHAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)OC12CCCC2 ZINC000000812137 563271954 /nfs/dbraw/zinc/27/19/54/563271954.db2.gz FCXIZEWJCLHSPV-HNNXBMFYSA-N 0 0 309.365 3.654 50 0 DHAARN CCCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000000838316 563272623 /nfs/dbraw/zinc/27/26/23/563272623.db2.gz AGAVOXIXFXYFEG-UHFFFAOYSA-N 0 0 308.337 3.594 50 0 DHAARN CC(C)(C)c1csc(SCC(=O)Nc2nccs2)n1 ZINC000001018844 563275157 /nfs/dbraw/zinc/27/51/57/563275157.db2.gz OMYYZRSYBAICBM-UHFFFAOYSA-N 0 0 313.473 3.628 50 0 DHAARN O=C1CS[C@@H](c2cccnc2)N1c1c(F)cccc1Cl ZINC000001045875 563275650 /nfs/dbraw/zinc/27/56/50/563275650.db2.gz QMZRHBVGZOPUHG-AWEZNQCLSA-N 0 0 308.765 3.653 50 0 DHAARN COc1c(Cl)cc(C(=O)Nc2cc(C)on2)cc1Cl ZINC000001067051 563276458 /nfs/dbraw/zinc/27/64/58/563276458.db2.gz HHMXQMFNMVGPKG-UHFFFAOYSA-N 0 0 301.129 3.551 50 0 DHAARN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccccc1 ZINC000001074573 563277041 /nfs/dbraw/zinc/27/70/41/563277041.db2.gz MIGFMHAQZSIEPX-UHFFFAOYSA-N 0 0 308.381 3.611 50 0 DHAARN CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000071884285 563279554 /nfs/dbraw/zinc/27/95/54/563279554.db2.gz WLJSCOWBENDGHN-CABCVRRESA-N 0 0 318.779 3.636 50 0 DHAARN Cc1sc2nc(NC(=O)c3ccccc3)sc(=O)c2c1C ZINC000001241443 563280282 /nfs/dbraw/zinc/28/02/82/563280282.db2.gz DDWRLDXZXFYREP-UHFFFAOYSA-N 0 0 316.407 3.587 50 0 DHAARN CCN(c1ccccc1)[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000001318721 563281658 /nfs/dbraw/zinc/28/16/58/563281658.db2.gz MNEYJKSXMMMVKW-MRXNPFEDSA-N 0 0 312.394 3.739 50 0 DHAARN COC(=O)c1ccccc1N(C)c1ccnc(C(F)(F)F)c1 ZINC000001394286 563281995 /nfs/dbraw/zinc/28/19/95/563281995.db2.gz ILYZBGLRUYSHAF-UHFFFAOYSA-N 0 0 310.275 3.655 50 0 DHAARN COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 ZINC000001426040 563283676 /nfs/dbraw/zinc/28/36/76/563283676.db2.gz IOUHFBVSLABJBZ-UHFFFAOYSA-N 0 0 318.376 3.861 50 0 DHAARN CCc1noc(C)c1C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000010540937 563284836 /nfs/dbraw/zinc/28/48/36/563284836.db2.gz IMTSXPJRHRRJPF-UHFFFAOYSA-N 0 0 324.384 3.600 50 0 DHAARN CC(C)OCCOc1ccc2oc(-c3ccco3)cc(=O)c2c1 ZINC000001791305 563295648 /nfs/dbraw/zinc/29/56/48/563295648.db2.gz CQVHTRQSNKZBCC-UHFFFAOYSA-N 0 0 314.337 3.857 50 0 DHAARN COc1ccc(OCCCC(=O)Nc2ccc(F)cc2)cc1 ZINC000001778229 563295915 /nfs/dbraw/zinc/29/59/15/563295915.db2.gz APJQWYMHQFZFSL-UHFFFAOYSA-N 0 0 303.333 3.632 50 0 DHAARN Cc1ccc(NC(=O)COC(=O)c2cccs2)cc1Cl ZINC000001961870 563297551 /nfs/dbraw/zinc/29/75/51/563297551.db2.gz BHPIGKUHRUNLLN-UHFFFAOYSA-N 0 0 309.774 3.505 50 0 DHAARN O=c1c2c3c(sc2ncn1Cc1ccccc1F)CCCC3 ZINC000001971294 563297673 /nfs/dbraw/zinc/29/76/73/563297673.db2.gz OSWRZKHMGKPAGZ-UHFFFAOYSA-N 0 0 314.385 3.524 50 0 DHAARN COc1ccc(CC(=O)Nc2cccc(Br)c2)cc1 ZINC000002181342 563301652 /nfs/dbraw/zinc/30/16/52/563301652.db2.gz IEDUVHKPJWPPQY-UHFFFAOYSA-N 0 0 320.186 3.639 50 0 DHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1F ZINC000002241474 563302111 /nfs/dbraw/zinc/30/21/11/563302111.db2.gz LYWXRJCKVFWNTR-UHFFFAOYSA-N 0 0 316.763 3.933 50 0 biogenic DHAARN CCCCN1c2ccccc2[C@](O)(c2c[nH]c3ccccc32)C1=O ZINC000002242113 563302331 /nfs/dbraw/zinc/30/23/31/563302331.db2.gz KXBFUHMSIPWBJR-FQEVSTJZSA-N 0 0 320.392 3.551 50 0 DHAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccs1 ZINC000002362761 563303001 /nfs/dbraw/zinc/30/30/01/563303001.db2.gz PPAQJCOCLUALHG-UHFFFAOYSA-N 0 0 304.802 3.855 50 0 DHAARN CCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000002429667 563303730 /nfs/dbraw/zinc/30/37/30/563303730.db2.gz XOQKYOTUPVIEQG-SFHVURJKSA-N 0 0 323.392 3.749 50 0 DHAARN O=C(c1cc(F)c(F)c(F)c1)c1ccccc1CN1CCC1 ZINC000002515641 563305832 /nfs/dbraw/zinc/30/58/32/563305832.db2.gz OAISJLJOSNBTJW-UHFFFAOYSA-N 0 0 305.299 3.541 50 0 DHAARN COc1cccc(C(=O)CCCCC2OCC(C)(C)CO2)c1 ZINC000002518067 563307194 /nfs/dbraw/zinc/30/71/94/563307194.db2.gz OUFJUIJNBITYOC-UHFFFAOYSA-N 0 0 306.402 3.837 50 0 DHAARN Cc1ccc(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002522100 563307813 /nfs/dbraw/zinc/30/78/13/563307813.db2.gz AGTDEVRMJDHEOL-UHFFFAOYSA-N 0 0 322.813 3.695 50 0 DHAARN Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Br ZINC000002558388 563309213 /nfs/dbraw/zinc/30/92/13/563309213.db2.gz OATKBYPVLQFGTF-UHFFFAOYSA-N 0 0 321.005 3.583 50 0 DHAARN CC(C)n1cnc2c1nc(Cl)nc2NCc1ccccc1 ZINC000002568285 563309570 /nfs/dbraw/zinc/30/95/70/563309570.db2.gz NSQQTIIWZCVMRW-UHFFFAOYSA-N 0 0 301.781 3.673 50 0 DHAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 ZINC000002602330 563310294 /nfs/dbraw/zinc/31/02/94/563310294.db2.gz XLHDNKSQHZDGSN-UHFFFAOYSA-N 0 0 303.705 3.544 50 0 DHAARN O=C(Nc1nnc(-c2cccnc2)s1)c1ccc(Cl)cc1 ZINC000002590154 563310345 /nfs/dbraw/zinc/31/03/45/563310345.db2.gz OYNOJBHUJMBMOV-UHFFFAOYSA-N 0 0 316.773 3.506 50 0 DHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000002735313 563311862 /nfs/dbraw/zinc/31/18/62/563311862.db2.gz UXRXBUNSLNSLSY-ZIAGYGMSSA-N 0 0 309.475 3.651 50 0 DHAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1 ZINC000002836905 563314121 /nfs/dbraw/zinc/31/41/21/563314121.db2.gz JGBLZHPZZZJEOG-UHFFFAOYSA-N 0 0 306.749 3.924 50 0 DHAARN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2C)s1 ZINC000002851051 563314860 /nfs/dbraw/zinc/31/48/60/563314860.db2.gz XUIRMUXWGHVJSZ-UHFFFAOYSA-N 0 0 313.835 3.539 50 0 DHAARN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2F)c1 ZINC000010543948 563316733 /nfs/dbraw/zinc/31/67/33/563316733.db2.gz SZNAAGDCIVHEQU-CQSZACIVSA-N 0 0 321.417 3.623 50 0 DHAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(C)c2)n1 ZINC000002886085 563316833 /nfs/dbraw/zinc/31/68/33/563316833.db2.gz LWUPBNMCYFDSOQ-UHFFFAOYSA-N 0 0 321.833 3.786 50 0 DHAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)c3ccccc3)ccc12 ZINC000002957114 563317913 /nfs/dbraw/zinc/31/79/13/563317913.db2.gz CRIOBUAOOAEQQV-UHFFFAOYSA-N 0 0 322.360 3.980 50 0 DHAARN COc1ccc2c(Cc3ccc4c(c3)OCO4)cncc2c1OC ZINC000003136937 563322198 /nfs/dbraw/zinc/32/21/98/563322198.db2.gz HCLULBLRCJMQQE-UHFFFAOYSA-N 0 0 323.348 3.572 50 0 DHAARN Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000003145320 563322476 /nfs/dbraw/zinc/32/24/76/563322476.db2.gz OVVPAAAWRPWALX-OAHLLOKOSA-N 0 0 312.394 3.941 50 0 DHAARN O=C(NC1=NCCS1)c1sc2cc(F)ccc2c1Cl ZINC000003270391 563323814 /nfs/dbraw/zinc/32/38/14/563323814.db2.gz WIYIHXHWMONCNB-UHFFFAOYSA-N 0 0 314.794 3.526 50 0 aggregator DHAARN Cc1cn2cc(NC(=O)c3ncoc3-c3ccccc3)ccc2n1 ZINC000071899359 563326154 /nfs/dbraw/zinc/32/61/54/563326154.db2.gz VZUCMBAXSIFSDN-UHFFFAOYSA-N 0 0 318.336 3.550 50 0 DHAARN O=C(CC[C@@H]1CCCO1)Nc1cccc(Oc2ccncc2)c1 ZINC000071899784 563326567 /nfs/dbraw/zinc/32/65/67/563326567.db2.gz OTYZFDQHELEBQD-HNNXBMFYSA-N 0 0 312.369 3.772 50 0 DHAARN Cc1nc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2s1 ZINC000010556498 563327036 /nfs/dbraw/zinc/32/70/36/563327036.db2.gz URWBIAPEWSWMBN-UHFFFAOYSA-N 0 0 308.366 3.733 50 0 DHAARN Cc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000004858997 563328528 /nfs/dbraw/zinc/32/85/28/563328528.db2.gz CPKCXMAPQSSETI-UHFFFAOYSA-N 0 0 320.845 3.672 50 0 DHAARN COc1ccccc1-c1cnn2c1nc(C)cc2N1CCCCC1 ZINC000005351425 563329574 /nfs/dbraw/zinc/32/95/74/563329574.db2.gz CRSXJBKVYUIIQB-UHFFFAOYSA-N 0 0 322.412 3.704 50 0 DHAARN Cc1ccc2ccc(S(=O)(=O)n3cnc4ccccc43)cc2c1 ZINC000005418149 563329661 /nfs/dbraw/zinc/32/96/61/563329661.db2.gz FUHGBPXQEPCORK-UHFFFAOYSA-N 0 0 322.389 3.735 50 0 DHAARN Cc1nnc([C@@H](C)Nc2cccc(NC(=O)C(C)(C)C)c2)o1 ZINC000071902421 563330926 /nfs/dbraw/zinc/33/09/26/563330926.db2.gz UVULLHOJOUFRIU-SNVBAGLBSA-N 0 0 302.378 3.536 50 0 DHAARN CCOC[C@H]1CCCN(C(=O)NCC[C@@H](C)c2ccccc2)C1 ZINC000071905352 563331547 /nfs/dbraw/zinc/33/15/47/563331547.db2.gz WBDBYFBNMKGTKQ-SJORKVTESA-N 0 0 318.461 3.638 50 0 DHAARN CCCCc1c(O)cc(-c2cccnc2)n(-c2ccccc2)c1=O ZINC000006666793 563332924 /nfs/dbraw/zinc/33/29/24/563332924.db2.gz YRWOEWRMNWHWJY-UHFFFAOYSA-N 0 0 320.392 3.948 50 0 DHAARN CCOc1ccc(C(=O)n2cnc3ccccc32)c(OCC)c1 ZINC000006741725 563333956 /nfs/dbraw/zinc/33/39/56/563333956.db2.gz GQDUPZSOOOOAMQ-UHFFFAOYSA-N 0 0 310.353 3.522 50 0 DHAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(F)c(Cl)c1 ZINC000006742491 563333964 /nfs/dbraw/zinc/33/39/64/563333964.db2.gz MPYWRMPEGMJETC-UHFFFAOYSA-N 0 0 322.723 3.530 50 0 DHAARN Cc1ccc(F)cc1NC(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000002549264 563334101 /nfs/dbraw/zinc/33/41/01/563334101.db2.gz ZIGYSLLAGIOUNP-QPJJXVBHSA-N 0 0 313.328 3.557 50 0 DHAARN CCSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000002624072 563336565 /nfs/dbraw/zinc/33/65/65/563336565.db2.gz IVYJRMJMPGRPQZ-UHFFFAOYSA-N 0 0 314.385 3.696 50 0 DHAARN O=C(Nc1cccc(C(=O)NC2CCCC2)c1)c1cccs1 ZINC000007134298 563336600 /nfs/dbraw/zinc/33/66/00/563336600.db2.gz LIYSHQGIBKYBGS-UHFFFAOYSA-N 0 0 314.410 3.673 50 0 DHAARN Cc1nc(C(=O)O[C@H](C)c2ccccn2)c(-c2ccccc2)o1 ZINC000097376606 563339499 /nfs/dbraw/zinc/33/94/99/563339499.db2.gz SMTFJVKDCGNOJW-GFCCVEGCSA-N 0 0 308.337 3.963 50 0 DHAARN Cc1nc(C(=O)O[C@@H](C)c2ccccn2)c(-c2ccccc2)o1 ZINC000097376605 563339688 /nfs/dbraw/zinc/33/96/88/563339688.db2.gz SMTFJVKDCGNOJW-LBPRGKRZSA-N 0 0 308.337 3.963 50 0 DHAARN Cc1ccc2nc(NC(=O)c3cccnc3Cl)sc2c1 ZINC000002736744 563339975 /nfs/dbraw/zinc/33/99/75/563339975.db2.gz PZDYAAWBJZRQBZ-UHFFFAOYSA-N 0 0 303.774 3.905 50 0 DHAARN Cc1cc(=O)oc2cc(NC(=O)c3cc(F)ccc3F)ccc12 ZINC000002763620 563341245 /nfs/dbraw/zinc/34/12/45/563341245.db2.gz SHVOZCUBAOUQPO-UHFFFAOYSA-N 0 0 315.275 3.632 50 0 DHAARN Cc1cc(C)cc(C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000007793124 563342787 /nfs/dbraw/zinc/34/27/87/563342787.db2.gz FVUVQTMWXBUAHX-UHFFFAOYSA-N 0 0 308.425 3.574 50 0 DHAARN COC(=O)CCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000007871161 563343492 /nfs/dbraw/zinc/34/34/92/563343492.db2.gz RKMYDRGXGHALPV-UHFFFAOYSA-N 0 0 323.348 3.992 50 0 DHAARN COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c(C)c1C ZINC000008132611 563344589 /nfs/dbraw/zinc/34/45/89/563344589.db2.gz HCOIBNARWPXOOE-UHFFFAOYSA-N 0 0 319.426 3.730 50 0 DHAARN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000008570997 563347881 /nfs/dbraw/zinc/34/78/81/563347881.db2.gz ZFUIUHLCMZTBIW-UHFFFAOYSA-N 0 0 322.408 3.873 50 0 DHAARN CCc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C ZINC000008592022 563348130 /nfs/dbraw/zinc/34/81/30/563348130.db2.gz VSEFPSZXHNQBKP-UHFFFAOYSA-N 0 0 324.359 3.530 50 0 DHAARN CCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccccc1 ZINC000008715198 563349332 /nfs/dbraw/zinc/34/93/32/563349332.db2.gz DSPHNUOAFZVIRZ-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000008691082 563349359 /nfs/dbraw/zinc/34/93/59/563349359.db2.gz FUBMAKIAKSVODK-UHFFFAOYSA-N 0 0 300.383 3.672 50 0 DHAARN CCc1c(C(=O)Nc2ccc(C)c(C)c2)cnn1-c1ccccn1 ZINC000008715218 563349418 /nfs/dbraw/zinc/34/94/18/563349418.db2.gz KQXMMLDQKRJFDE-UHFFFAOYSA-N 0 0 320.396 3.699 50 0 DHAARN CC(C)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000008716721 563349618 /nfs/dbraw/zinc/34/96/18/563349618.db2.gz HWTXWALTBDBCNM-BOPFTXTBSA-N 0 0 320.417 3.580 50 0 DHAARN CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C(C)(C)C)CC3 ZINC000008738175 563349871 /nfs/dbraw/zinc/34/98/71/563349871.db2.gz PJLNKCNSUWGDRY-MRVPVSSYSA-N 0 0 308.472 3.858 50 0 DHAARN O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CCCC3)ncc21 ZINC000009048070 563351124 /nfs/dbraw/zinc/35/11/24/563351124.db2.gz XUXWBCPXNDCZOO-ROJDOSBLSA-N 0 0 319.408 3.535 50 0 DHAARN Cc1nnc(SC[C@@H]2CC2(Cl)Cl)n1-c1ccccc1 ZINC000009142907 563352389 /nfs/dbraw/zinc/35/23/89/563352389.db2.gz KRHOTDWAOOVLJA-JTQLQIEISA-N 0 0 314.241 3.862 50 0 DHAARN CCc1ccc2ncnc(NCc3ccc(OC)c(OC)c3)c2c1 ZINC000032541201 563352934 /nfs/dbraw/zinc/35/29/34/563352934.db2.gz GQOOSCJREIHDRE-UHFFFAOYSA-N 0 0 323.396 3.822 50 0 DHAARN CCc1cccc2c(C(=O)C(=O)Nc3cccc(F)c3)c[nH]c21 ZINC000009615217 563353871 /nfs/dbraw/zinc/35/38/71/563353871.db2.gz NCRNDVGVAMCJOU-UHFFFAOYSA-N 0 0 310.328 3.691 50 0 DHAARN CCOc1ccccc1NC(=O)c1sc2ncccc2c1N ZINC000010010473 563355357 /nfs/dbraw/zinc/35/53/57/563355357.db2.gz FJPKXCQXBHBROW-UHFFFAOYSA-N 0 0 313.382 3.530 50 0 DHAARN O=C(Nc1ccccc1)Nc1ccccc1OC[C@@H]1CCCO1 ZINC000010155804 563355417 /nfs/dbraw/zinc/35/54/17/563355417.db2.gz CJYRJLIDYSZFNV-HNNXBMFYSA-N 0 0 312.369 3.888 50 0 DHAARN CCc1ccc(CCC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000010332077 563355938 /nfs/dbraw/zinc/35/59/38/563355938.db2.gz GUUXJWWKRZSPDY-UHFFFAOYSA-N 0 0 310.397 3.779 50 0 DHAARN CCCOc1ccc(CNC(=O)c2cc(F)ccc2F)cc1 ZINC000046180285 563356718 /nfs/dbraw/zinc/35/67/18/563356718.db2.gz HPJRBECMGJPMTK-UHFFFAOYSA-N 0 0 305.324 3.684 50 0 DHAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000010684143 563357491 /nfs/dbraw/zinc/35/74/91/563357491.db2.gz KHPAFUZSESBBTL-NSHDSACASA-N 0 0 302.399 3.529 50 0 DHAARN CCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000010451601 563357692 /nfs/dbraw/zinc/35/76/92/563357692.db2.gz KRRDYZJSOASAQW-UHFFFAOYSA-N 0 0 310.397 3.812 50 0 DHAARN CCCCNC(=O)N1CCC(c2ncc(C(C)(C)C)o2)CC1 ZINC000227163767 563358169 /nfs/dbraw/zinc/35/81/69/563358169.db2.gz DNZYNBMZQGWKRA-UHFFFAOYSA-N 0 0 307.438 3.661 50 0 DHAARN COc1ccc2sc(NC(=O)c3cccc(F)c3)nc2c1 ZINC000011565784 563358327 /nfs/dbraw/zinc/35/83/27/563358327.db2.gz ITEDMLUEVSAXSW-UHFFFAOYSA-N 0 0 302.330 3.696 50 0 DHAARN Cc1cc(NC(=O)CCSc2nc3ccccc3s2)no1 ZINC000010861596 563358408 /nfs/dbraw/zinc/35/84/08/563358408.db2.gz DVFUAFUSMDQIAN-UHFFFAOYSA-N 0 0 319.411 3.714 50 0 DHAARN Cc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)C(C)(C)C)O3)nc1 ZINC000011840384 563360223 /nfs/dbraw/zinc/36/02/23/563360223.db2.gz SFCWSXQGJNZPOV-INIZCTEOSA-N 0 0 324.424 3.523 50 0 DHAARN Cc1c([C@H](C)NC(=O)CC2=CCCCC2)cnn1-c1ccccn1 ZINC000011937282 563360810 /nfs/dbraw/zinc/36/08/10/563360810.db2.gz ZQUOCRGTHRDXLN-AWEZNQCLSA-N 0 0 324.428 3.643 50 0 DHAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000012138618 563362356 /nfs/dbraw/zinc/36/23/56/563362356.db2.gz CPISWIJYXDUXFK-CYBMUJFWSA-N 0 0 311.385 3.859 50 0 DHAARN Cc1ccccc1Oc1ncccc1CNC(=O)C1CCCC1 ZINC000012297904 563365298 /nfs/dbraw/zinc/36/52/98/563365298.db2.gz KCRGSHDGTWAYFB-UHFFFAOYSA-N 0 0 310.397 3.989 50 0 DHAARN O=C(CCc1ccncc1)N1CCC[C@H](CCc2ccccc2)C1 ZINC000012319086 563366354 /nfs/dbraw/zinc/36/63/54/563366354.db2.gz ATSDJSHESAPINC-HXUWFJFHSA-N 0 0 322.452 3.886 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)c1 ZINC000012324534 563366486 /nfs/dbraw/zinc/36/64/86/563366486.db2.gz WWIHZNRGTWPTPM-UHFFFAOYSA-N 0 0 320.348 3.704 50 0 DHAARN COc1cccc(OC)c1OCc1nc2ccccc2nc1C ZINC000012372675 563366980 /nfs/dbraw/zinc/36/69/80/563366980.db2.gz SPFOCHMJZWUBHJ-UHFFFAOYSA-N 0 0 310.353 3.534 50 0 DHAARN COc1cccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)c1 ZINC000012383768 563368183 /nfs/dbraw/zinc/36/81/83/563368183.db2.gz RDYORLDIHXVDSY-GFCCVEGCSA-N 0 0 319.788 3.605 50 0 DHAARN O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1 ZINC000012404126 563368309 /nfs/dbraw/zinc/36/83/09/563368309.db2.gz ZGIYDXYUJXMKOH-UHFFFAOYSA-N 0 0 308.381 3.606 50 0 DHAARN O=C(COc1cccc2[nH]ccc21)Nc1cccc(Cl)c1 ZINC000012409679 563369273 /nfs/dbraw/zinc/36/92/73/563369273.db2.gz AOFFZRMWISNBLQ-UHFFFAOYSA-N 0 0 300.745 3.839 50 0 DHAARN CC(C)c1nnc2n1N1C(=CS[C@@H]1c1ccccc1)S2 ZINC000012409076 563369365 /nfs/dbraw/zinc/36/93/65/563369365.db2.gz OWBYCEKHPVYBST-CYBMUJFWSA-N 0 0 302.428 3.690 50 0 DHAARN CC(=O)[C@H]1CCCN(Cc2nc(-c3cccc(C)c3)oc2C)C1 ZINC000012612507 563371290 /nfs/dbraw/zinc/37/12/90/563371290.db2.gz RCQZPLPAFMRTES-KRWDZBQOSA-N 0 0 312.413 3.759 50 0 DHAARN CSCCC(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000012580621 563371468 /nfs/dbraw/zinc/37/14/68/563371468.db2.gz LROATAIELONTON-HNNXBMFYSA-N 0 0 309.450 3.750 50 0 DHAARN C[C@@H]1CN(c2nnc(-c3ccccc3)c3ccccc32)C[C@H](C)O1 ZINC000012625007 563372648 /nfs/dbraw/zinc/37/26/48/563372648.db2.gz XMYLUYJMMPSMNS-GASCZTMLSA-N 0 0 319.408 3.910 50 0 DHAARN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000004363107 563373053 /nfs/dbraw/zinc/37/30/53/563373053.db2.gz CHNXZKVNWQUJIB-RDWCLUPISA-N 0 0 312.453 3.883 50 0 DHAARN C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000012763855 563373125 /nfs/dbraw/zinc/37/31/25/563373125.db2.gz 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563388820 /nfs/dbraw/zinc/38/88/20/563388820.db2.gz KNZWCPOTMWFYDJ-UHFFFAOYSA-N 0 0 321.405 3.924 50 0 DHAARN C[C@H](Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1 ZINC000032760985 563390613 /nfs/dbraw/zinc/39/06/13/563390613.db2.gz VGGNRZCKXXYLPH-LBPRGKRZSA-N 0 0 309.394 3.749 50 0 DHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032755140 563391267 /nfs/dbraw/zinc/39/12/67/563391267.db2.gz ZNKDQUPVBBMAGF-OAHLLOKOSA-N 0 0 315.438 3.917 50 0 DHAARN c1ccc2c(c1)ncnc2Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000032776854 563391291 /nfs/dbraw/zinc/39/12/91/563391291.db2.gz DNBUPNWAYLHKLP-MRXNPFEDSA-N 0 0 321.380 3.931 50 0 DHAARN O=C(NCc1cccs1)c1ccc(CSC(F)F)o1 ZINC000032770833 563392157 /nfs/dbraw/zinc/39/21/57/563392157.db2.gz NOSVWBRRLNNYQP-UHFFFAOYSA-N 0 0 303.355 3.727 50 0 DHAARN CC(C)c1nnc2sc(-c3cccc(Br)c3)nn21 ZINC000013945088 563393308 /nfs/dbraw/zinc/39/33/08/563393308.db2.gz BTMUBZRSFURXDW-UHFFFAOYSA-N 0 0 323.219 3.739 50 0 DHAARN Cc1ccc(C)c(CSc2ccc(C(=O)NC3CC3)cn2)c1 ZINC000032779170 563393930 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/nfs/dbraw/zinc/39/53/10/563395310.db2.gz IWPSUQFEEOCQJD-UHFFFAOYSA-N 0 0 306.456 3.886 50 0 DHAARN CSCC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 ZINC000014117016 563396205 /nfs/dbraw/zinc/39/62/05/563396205.db2.gz VIJFNPNDGIZLGX-UHFFFAOYSA-N 0 0 307.444 3.630 50 0 DHAARN COc1ccc(-c2nnc([C@H](C)N(C)Cc3ccccc3)o2)cc1 ZINC000014139514 563396286 /nfs/dbraw/zinc/39/62/86/563396286.db2.gz LWPGISUQJWVECK-AWEZNQCLSA-N 0 0 323.396 3.938 50 0 DHAARN Cc1ccsc1CN(C)[C@H](C)C(=O)Nc1ccccc1F ZINC000014117166 563396301 /nfs/dbraw/zinc/39/63/01/563396301.db2.gz ICDBWEIQMDKWAE-GFCCVEGCSA-N 0 0 306.406 3.655 50 0 DHAARN Cc1ccsc1CN(C)[C@@H](C)C(=O)Nc1ccccc1F ZINC000014117169 563396354 /nfs/dbraw/zinc/39/63/54/563396354.db2.gz ICDBWEIQMDKWAE-LBPRGKRZSA-N 0 0 306.406 3.655 50 0 DHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)C(C)C ZINC000014165688 563396977 /nfs/dbraw/zinc/39/69/77/563396977.db2.gz BOITZCBKVIQJJS-LLVKDONJSA-N 0 0 320.414 3.676 50 0 DHAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)C(C)C ZINC000014165692 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3.950 50 0 DHAARN O=C(c1ccc(F)cc1)c1ccc(CN2CCSCC2)cc1 ZINC000085651257 563521094 /nfs/dbraw/zinc/52/10/94/563521094.db2.gz QRCZOVYTCAFKQO-UHFFFAOYSA-N 0 0 315.413 3.606 50 0 DHAARN FC(F)(F)c1cccc(CSc2ncnc3[nH]cnc32)c1 ZINC000033328701 563522426 /nfs/dbraw/zinc/52/24/26/563522426.db2.gz GTVGINQLSNFIIQ-UHFFFAOYSA-N 0 0 310.304 3.664 50 0 DHAARN C[C@@]1(C(=O)N2CC=C(c3cccs3)CC2)CC1(Cl)Cl ZINC000072287361 563526318 /nfs/dbraw/zinc/52/63/18/563526318.db2.gz MZFNVFHPYBCPPX-ZDUSSCGKSA-N 0 0 316.253 3.948 50 0 DHAARN C[C@]1(C(=O)N2CC=C(c3cccs3)CC2)CC1(Cl)Cl ZINC000072287360 563526353 /nfs/dbraw/zinc/52/63/53/563526353.db2.gz MZFNVFHPYBCPPX-CYBMUJFWSA-N 0 0 316.253 3.948 50 0 DHAARN Cc1noc2nc(C)nc(NCc3coc(-c4ccccc4)n3)c12 ZINC000095360410 563529431 /nfs/dbraw/zinc/52/94/31/563529431.db2.gz QGCWSQCNZCOONR-UHFFFAOYSA-N 0 0 321.340 3.502 50 0 DHAARN CCCCCC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095358702 563529654 /nfs/dbraw/zinc/52/96/54/563529654.db2.gz OXXKHKZNVSWZBO-KRWDZBQOSA-N 0 0 317.477 3.970 50 0 DHAARN Cc1ncsc1C[N@@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095384199 563529768 /nfs/dbraw/zinc/52/97/68/563529768.db2.gz ABBMUIVGHKAWDP-HNNXBMFYSA-N 0 0 316.426 3.529 50 0 DHAARN COCCC[C@H]1CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000095382021 563529840 /nfs/dbraw/zinc/52/98/40/563529840.db2.gz SYDGHNRVSFONNS-OAHLLOKOSA-N 0 0 306.450 3.522 50 0 DHAARN c1ccc(CO[C@@H]2CCCN(c3nnc(C4CCC4)o3)C2)cc1 ZINC000095358348 563529928 /nfs/dbraw/zinc/52/99/28/563529928.db2.gz UHIYAYRVGPAUNP-MRXNPFEDSA-N 0 0 313.401 3.523 50 0 DHAARN NC(=S)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000096026287 563531284 /nfs/dbraw/zinc/53/12/84/563531284.db2.gz CGCVAMBIXGZYRC-UHFFFAOYSA-N 0 0 300.814 3.977 50 0 DHAARN c1ccc2c(c1)ccnc2N1CCC[C@@H](OCc2cccnc2)C1 ZINC000096130741 563533309 /nfs/dbraw/zinc/53/33/09/563533309.db2.gz KNZPGGXPYPLACW-GOSISDBHSA-N 0 0 319.408 3.815 50 0 DHAARN Cc1cc2occ(Cc3nc([C@H]4CCOC4)no3)c2cc1Cl ZINC000096147865 563534101 /nfs/dbraw/zinc/53/41/01/563534101.db2.gz JBBIHPNGBQECDK-JTQLQIEISA-N 0 0 318.760 3.872 50 0 DHAARN Cc1ccc(-c2ccc(CCc3nc([C@H]4CCOC4)no3)o2)cc1 ZINC000096159817 563534534 /nfs/dbraw/zinc/53/45/34/563534534.db2.gz PDUNMAXEWUEFJM-HNNXBMFYSA-N 0 0 324.380 3.927 50 0 DHAARN Cc1ccc(Cl)c(NC(=O)N(C)CC2(CO)CCCC2)c1 ZINC000096165600 563534859 /nfs/dbraw/zinc/53/48/59/563534859.db2.gz ICPCFXJBWXRPBN-UHFFFAOYSA-N 0 0 310.825 3.665 50 0 DHAARN c1cc2c3c([nH]c2c(-c2nc([C@@H]4CCOC4)no2)c1)CCCC3 ZINC000096180249 563535374 /nfs/dbraw/zinc/53/53/74/563535374.db2.gz JYMTVXKIRBSBHI-LLVKDONJSA-N 0 0 309.369 3.601 50 0 DHAARN Cc1cc(C)cc(NC(=O)NCc2snnc2C(C)C)c1 ZINC000097212978 563537807 /nfs/dbraw/zinc/53/78/07/563537807.db2.gz RUNHKANJIRANTL-UHFFFAOYSA-N 0 0 304.419 3.600 50 0 DHAARN CC(C)n1cncc1CN1CCC(Oc2ccccc2F)CC1 ZINC000097360208 563538700 /nfs/dbraw/zinc/53/87/00/563538700.db2.gz UVNPUVBBPNIJBW-UHFFFAOYSA-N 0 0 317.408 3.647 50 0 DHAARN CN(Cc1c[nH]c(CC2CCCC2)n1)Cc1nc2ccccc2[nH]1 ZINC000097492610 563539132 /nfs/dbraw/zinc/53/91/32/563539132.db2.gz RVVGOBJUTYSAHF-UHFFFAOYSA-N 0 0 323.444 3.651 50 0 DHAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000097495138 563539147 /nfs/dbraw/zinc/53/91/47/563539147.db2.gz CGDGZDFPXDTCJG-KRWDZBQOSA-N 0 0 320.396 3.695 50 0 DHAARN Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccccc2C)s1 ZINC000097505235 563539188 /nfs/dbraw/zinc/53/91/88/563539188.db2.gz DRXOABJPODBOQZ-INIZCTEOSA-N 0 0 314.454 3.975 50 0 DHAARN CN(CCSc1ccccc1)c1nccc(-c2cccnc2)n1 ZINC000097425100 563539640 /nfs/dbraw/zinc/53/96/40/563539640.db2.gz YUROKBSZOYTJOY-UHFFFAOYSA-N 0 0 322.437 3.767 50 0 DHAARN COCc1cc(CN2CC[C@H]2c2ccc(F)cc2)ccc1OC ZINC000097547669 563540257 /nfs/dbraw/zinc/54/02/57/563540257.db2.gz QKUGDCXMIWTNPH-SFHVURJKSA-N 0 0 315.388 3.928 50 0 DHAARN CCc1nc2cc(NC(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)ccc2[nH]1 ZINC000097570817 563540580 /nfs/dbraw/zinc/54/05/80/563540580.db2.gz DYNDRGGYRHRERA-HZSPNIEDSA-N 0 0 324.428 3.849 50 0 DHAARN Cc1cc([C@@H]2CCCN2Cc2nc3c(s2)CCCC3)no1 ZINC000097636595 563541373 /nfs/dbraw/zinc/54/13/73/563541373.db2.gz GRAUVNAPTAPFLP-AWEZNQCLSA-N 0 0 303.431 3.655 50 0 DHAARN COc1cc2nc(/C=C/C3CCCCC3)nc(N)c2cc1OC ZINC000097716987 563541905 /nfs/dbraw/zinc/54/19/05/563541905.db2.gz OBGGXIOXMHGFPJ-CMDGGOBGSA-N 0 0 313.401 3.823 50 0 DHAARN CCCCc1nc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)c[nH]1 ZINC000097698671 563542047 /nfs/dbraw/zinc/54/20/47/563542047.db2.gz IUUSFNOVCKRGFQ-UHFFFAOYSA-N 0 0 323.444 3.774 50 0 DHAARN COc1ccc(-c2noc(-c3cn(C)c4ccccc34)n2)cc1 ZINC000098212046 563544594 /nfs/dbraw/zinc/54/45/94/563544594.db2.gz OWGXZHVWSYUKMT-UHFFFAOYSA-N 0 0 305.337 3.904 50 0 DHAARN Fc1ccc(Cc2noc(-c3nc(-c4ccccc4)no3)n2)cc1 ZINC000098212342 563544652 /nfs/dbraw/zinc/54/46/52/563544652.db2.gz DNIBUWZDPZVLEG-UHFFFAOYSA-N 0 0 322.299 3.517 50 0 DHAARN C(=Cc1nnnn1-c1ccccc1)Nc1cccc2ccccc21 ZINC000100209790 563547922 /nfs/dbraw/zinc/54/79/22/563547922.db2.gz VZFFZWPHNOCCIF-YPKPFQOOSA-N 0 0 313.364 3.898 50 0 DHAARN Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000100561393 563551843 /nfs/dbraw/zinc/55/18/43/563551843.db2.gz MGKSWKXEDSRJQU-OAHLLOKOSA-N 0 0 311.356 3.565 50 0 DHAARN Cc1ccc(C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2C)cc1 ZINC000100561325 563551847 /nfs/dbraw/zinc/55/18/47/563551847.db2.gz ZMUVORCGKJLUTQ-YJBOKZPZSA-N 0 0 307.393 3.672 50 0 DHAARN C[C@@H]1C(=O)CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]12 ZINC000101358470 563557053 /nfs/dbraw/zinc/55/70/53/563557053.db2.gz FBSPYDKHZVACEY-VLWCASSMSA-N 0 0 308.425 3.702 50 0 DHAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccn2C)cc1 ZINC000102404763 563559143 /nfs/dbraw/zinc/55/91/43/563559143.db2.gz OIUJRCVXBHJYQW-BJWYYQGGSA-N 0 0 324.424 3.585 50 0 DHAARN CCCCC1CCC(C(=O)O[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000011670820 563564869 /nfs/dbraw/zinc/56/48/69/563564869.db2.gz ZATFLXAYFZGMLE-BDVYOWHSSA-N 0 0 317.429 3.753 50 0 DHAARN C[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000014268679 563565327 /nfs/dbraw/zinc/56/53/27/563565327.db2.gz ZWIXYBXQDDPXMN-NSHDSACASA-N 0 0 304.777 3.867 50 0 DHAARN c1sc(Nc2ccccc2)nc1CN1CCOCC12CCC2 ZINC000135500468 563567206 /nfs/dbraw/zinc/56/72/06/563567206.db2.gz LLJFEPUZERPVQX-UHFFFAOYSA-N 0 0 315.442 3.642 50 0 DHAARN Cc1cc(NCc2ccccc2)n2nc(-c3ccccc3)nc2n1 ZINC000014610225 563568284 /nfs/dbraw/zinc/56/82/84/563568284.db2.gz CKKHMTSKKVTTLW-UHFFFAOYSA-N 0 0 315.380 3.712 50 0 DHAARN O=C(NCCc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000000104212 563569588 /nfs/dbraw/zinc/56/95/88/563569588.db2.gz OSZMXVHBLWYJPQ-UHFFFAOYSA-N 0 0 308.406 3.783 50 0 DHAARN O=C(C[C@H](C(=O)c1ccccc1)n1cccn1)c1ccccc1 ZINC000000105128 563569732 /nfs/dbraw/zinc/56/97/32/563569732.db2.gz BRPOZKPOWBNTPW-QGZVFWFLSA-N 0 0 304.349 3.580 50 0 DHAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)NC1CCCCC1 ZINC000000105599 563570164 /nfs/dbraw/zinc/57/01/64/563570164.db2.gz GJTHRSSUOHKEAN-UHFFFAOYSA-N 0 0 313.445 3.959 50 0 DHAARN CCOC(=O)c1nc2ccccc2c(Nc2cccc(C)c2)n1 ZINC000000106443 563570426 /nfs/dbraw/zinc/57/04/26/563570426.db2.gz DPXKHAYZMILRSZ-UHFFFAOYSA-N 0 0 307.353 3.859 50 0 DHAARN CC(=O)c1c(OC(=O)c2ccccc2)ccnc1C(F)(F)F ZINC000000129179 563571990 /nfs/dbraw/zinc/57/19/90/563571990.db2.gz JHXVHRLUWQNDBQ-UHFFFAOYSA-N 0 0 309.243 3.522 50 0 DHAARN CCOc1ccc(NC(=O)c2c(N)sc3c2CCCC3)cc1 ZINC000000127251 563572072 /nfs/dbraw/zinc/57/20/72/563572072.db2.gz GBPZBPPLTYFSPO-UHFFFAOYSA-N 0 0 316.426 3.860 50 0 DHAARN COc1ccc([C@@H]2CC(=O)n3c4ccccc4nc3S2)cc1 ZINC000000167094 563574006 /nfs/dbraw/zinc/57/40/06/563574006.db2.gz DECVXCDBMGUMGC-HNNXBMFYSA-N 0 0 310.378 3.922 50 0 DHAARN CC1(C)CCCC2=C1C[C@H]1C(=O)NN(c3ccccc3)C(=O)[C@H]1C2 ZINC000000171947 563574710 /nfs/dbraw/zinc/57/47/10/563574710.db2.gz SEEZGBPPAWHPMP-CVEARBPZSA-N 0 0 324.424 3.597 50 0 biogenic DHAARN COc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000000176357 563575175 /nfs/dbraw/zinc/57/51/75/563575175.db2.gz KSQMRTMMXAXGAT-UVTDQMKNSA-N 0 0 313.740 3.693 50 0 DHAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc2nsnc2c1 ZINC000000186212 563576817 /nfs/dbraw/zinc/57/68/17/563576817.db2.gz KRTWNHUXYFWXSO-UHFFFAOYSA-N 0 0 323.299 3.962 50 0 DHAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC(=O)c1ccccc1 ZINC000000232001 563579745 /nfs/dbraw/zinc/57/97/45/563579745.db2.gz CJSQVOCVTPYEBO-HNNXBMFYSA-N 0 0 322.408 3.837 50 0 DHAARN CCCc1nc2ccccc2n1C[C@H](O)COC1CCCCC1 ZINC000000243036 563580859 /nfs/dbraw/zinc/58/08/59/563580859.db2.gz TWZNCNVFWYJJPD-HNNXBMFYSA-N 0 0 316.445 3.699 50 0 DHAARN C[C@@H]1CC2(C)C[C@@H](C)C1(COC(=O)NC1CCCCC1)CO2 ZINC000000244417 563581032 /nfs/dbraw/zinc/58/10/32/563581032.db2.gz ZMDXDZFDQRGJIR-JDPPGYRCSA-N 0 0 309.450 3.887 50 0 biogenic DHAARN CSc1nc(-c2ccccc2)nc(N2CCCC2)c1C(C)=O ZINC000000243337 563581275 /nfs/dbraw/zinc/58/12/75/563581275.db2.gz XTJRMLAYKWEMFA-UHFFFAOYSA-N 0 0 313.426 3.668 50 0 DHAARN Cc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000000257631 563582581 /nfs/dbraw/zinc/58/25/81/563582581.db2.gz SYTJPQAXEMKGMS-KRWDZBQOSA-N 0 0 314.385 3.801 50 0 DHAARN CC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000000263515 563583506 /nfs/dbraw/zinc/58/35/06/563583506.db2.gz ZVTHYWYCRFAOHS-UHFFFAOYSA-N 0 0 318.170 3.904 50 0 DHAARN O=C(/C=C/c1cscn1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000050343315 563584852 /nfs/dbraw/zinc/58/48/52/563584852.db2.gz URVHSZKSJPLPEL-BOTMBNHJSA-N 0 0 304.802 3.613 50 0 DHAARN Cc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000000301154 563587152 /nfs/dbraw/zinc/58/71/52/563587152.db2.gz QSGMEISBFXSSOU-UHFFFAOYSA-N 0 0 310.422 3.694 50 0 DHAARN Cc1cc(C)c(C)c(OC[C@@H](O)CSc2ccccn2)c1 ZINC000011692563 563587989 /nfs/dbraw/zinc/58/79/89/563587989.db2.gz RRROHPPIJUZQPG-OAHLLOKOSA-N 0 0 303.427 3.539 50 0 DHAARN S=c1[nH]nc([C@@H]2COc3ccccc3O2)n1C1CCCC1 ZINC000011692627 563588089 /nfs/dbraw/zinc/58/80/89/563588089.db2.gz YDZVMAGABFVQFM-ZDUSSCGKSA-N 0 0 303.387 3.568 50 0 DHAARN C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1cccnc1 ZINC000050552783 563588808 /nfs/dbraw/zinc/58/88/08/563588808.db2.gz JGMSGRDFQFACPQ-CYBMUJFWSA-N 0 0 318.804 3.771 50 0 DHAARN Cc1cc(C)c2c(NC(=O)c3ccc(Cl)cc3)noc2n1 ZINC000011694968 563589305 /nfs/dbraw/zinc/58/93/05/563589305.db2.gz DHIMBDOYKGKHCH-UHFFFAOYSA-N 0 0 301.733 3.745 50 0 DHAARN COc1ccc(NC(=O)/C=C2\NC(C)(C)Cc3ccccc32)cc1 ZINC000000343661 563589367 /nfs/dbraw/zinc/58/93/67/563589367.db2.gz WBWDXCXJQAWXRC-PDGQHHTCSA-N 0 0 322.408 3.599 50 0 DHAARN COc1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)nn1 ZINC000011694515 563589558 /nfs/dbraw/zinc/58/95/58/563589558.db2.gz VKPBPXYLKKSXKM-UHFFFAOYSA-N 0 0 320.352 3.796 50 0 DHAARN O=C(Nc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccco1 ZINC000000345276 563589666 /nfs/dbraw/zinc/58/96/66/563589666.db2.gz WBGUAGWIQFVSNY-UHFFFAOYSA-N 0 0 324.311 3.923 50 0 DHAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)c(F)c1)c1ccccc1O2 ZINC000004852737 563591691 /nfs/dbraw/zinc/59/16/91/563591691.db2.gz MWJNVTDHVRIJIT-RHSMWYFYSA-N 0 0 316.307 3.734 50 0 DHAARN CCOc1ccc(NC(=O)CSC(=O)c2ccccc2)cc1 ZINC000000386251 563591897 /nfs/dbraw/zinc/59/18/97/563591897.db2.gz YWOJCPIBKRVKPN-UHFFFAOYSA-N 0 0 315.394 3.597 50 0 DHAARN COc1ccccc1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000004902272 563592874 /nfs/dbraw/zinc/59/28/74/563592874.db2.gz AUKBDGPGSJWJPD-UHFFFAOYSA-N 0 0 324.424 3.867 50 0 DHAARN Cc1nnc(CCCSCc2nc3ccccc3s2)o1 ZINC000166562050 563595965 /nfs/dbraw/zinc/59/59/65/563595965.db2.gz XBWOFWFXPULVML-UHFFFAOYSA-N 0 0 305.428 3.854 50 0 DHAARN COc1ccc(C2=C[C@@H](c3ccc(C)cc3)N3NN=NC3=N2)cc1 ZINC000100589797 563596436 /nfs/dbraw/zinc/59/64/36/563596436.db2.gz FJQYKMPHCPKIQF-KRWDZBQOSA-N 0 0 319.368 3.643 50 0 DHAARN Cc1nc(SCc2nc(-c3ccc(C(C)C)cc3)no2)n[nH]1 ZINC000011704855 563596493 /nfs/dbraw/zinc/59/64/93/563596493.db2.gz FVHKVGBLQYWLMJ-UHFFFAOYSA-N 0 0 315.402 3.579 50 0 DHAARN CCc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)[nH]1 ZINC000011714723 563597936 /nfs/dbraw/zinc/59/79/36/563597936.db2.gz GLNUITBFBWGQEF-SNVBAGLBSA-N 0 0 314.414 3.520 50 0 DHAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000248084361 563600106 /nfs/dbraw/zinc/60/01/06/563600106.db2.gz BAZLMZOEQBZFAC-FHWLQOOXSA-N 0 0 323.440 3.504 50 0 DHAARN COc1ccc(NC(=O)c2sc(-n3cccc3)nc2C)cc1 ZINC000011865922 563600433 /nfs/dbraw/zinc/60/04/33/563600433.db2.gz WDXFMNQCQUSTQG-UHFFFAOYSA-N 0 0 313.382 3.503 50 0 DHAARN O=C(c1ccccc1)N(Cc1ccsc1)Cc1ccccn1 ZINC000044445928 563602344 /nfs/dbraw/zinc/60/23/44/563602344.db2.gz OYGGUROQQUKTPR-UHFFFAOYSA-N 0 0 308.406 3.986 50 0 DHAARN Cn1c2ccccc2s/c1=N/C(=O)c1ccc(Cl)s1 ZINC000100811316 563602778 /nfs/dbraw/zinc/60/27/78/563602778.db2.gz XQWGDUPFSXTRLC-FYWRMAATSA-N 0 0 308.815 3.696 50 0 DHAARN O=C(CC(F)(F)F)N1CCC(Oc2ccccc2Cl)CC1 ZINC000125723213 563602888 /nfs/dbraw/zinc/60/28/88/563602888.db2.gz LPSIKBCHEKWMGM-UHFFFAOYSA-N 0 0 321.726 3.662 50 0 DHAARN Cc1cc([C@@H]2CCCN2C(=O)CCc2ccc(Cl)s2)no1 ZINC000044474383 563602900 /nfs/dbraw/zinc/60/29/00/563602900.db2.gz GYOCEMGAMMWHAJ-ZDUSSCGKSA-N 0 0 324.833 3.994 50 0 DHAARN CCOC(=O)C(CC)(C[C@H](C)c1ccccc1)C(=O)OCC ZINC000001752287 563604455 /nfs/dbraw/zinc/60/44/55/563604455.db2.gz SDJQKYKCBPBNGB-AWEZNQCLSA-N 0 0 306.402 3.703 50 0 DHAARN Cc1cc(CC(=O)N2CCCc3cc(C(C)(C)C)ccc32)[nH]n1 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563815131 /nfs/dbraw/zinc/81/51/31/563815131.db2.gz XZFPFZKQWLOWFP-UHFFFAOYSA-N 0 0 313.788 3.763 50 0 DHAARN CCCn1c2ccc(NC(=O)c3ccc(C)cc3)cc2oc1=O ZINC000046009864 563815155 /nfs/dbraw/zinc/81/51/55/563815155.db2.gz JASGGRHHGZXCHE-UHFFFAOYSA-N 0 0 310.353 3.565 50 0 DHAARN COc1cnc(-c2ccccn2)nc1Oc1c(C)cccc1C ZINC000001385896 563815161 /nfs/dbraw/zinc/81/51/61/563815161.db2.gz LTVKLRHBVSLSPX-UHFFFAOYSA-N 0 0 307.353 3.956 50 0 DHAARN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cc(C)on2)o1 ZINC000073872601 563818557 /nfs/dbraw/zinc/81/85/57/563818557.db2.gz OCEXQCNDRLMMGM-IAQYHMDHSA-N 0 0 317.389 3.567 50 0 DHAARN CC[C@@H](C(=O)NCCn1c(C)nc2ccccc21)c1ccccc1 ZINC000012741796 563820106 /nfs/dbraw/zinc/82/01/06/563820106.db2.gz FNGILOUDKWIUPR-QGZVFWFLSA-N 0 0 321.424 3.655 50 0 DHAARN C[C@@H](Nc1nc2ccccc2s1)C(=O)NC1CCCCCC1 ZINC000012757259 563824802 /nfs/dbraw/zinc/82/48/02/563824802.db2.gz UHVGTPZCXONBBF-GFCCVEGCSA-N 0 0 317.458 3.936 50 0 DHAARN C[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1C)c1ccccc1 ZINC000012756202 563824833 /nfs/dbraw/zinc/82/48/33/563824833.db2.gz ODFSFKFTSTZOOC-KGLIPLIRSA-N 0 0 314.454 3.545 50 0 DHAARN COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(F)cc1C ZINC000084195426 563825024 /nfs/dbraw/zinc/82/50/24/563825024.db2.gz WLTYGIXCVBCTLR-UHFFFAOYSA-N 0 0 320.364 3.716 50 0 DHAARN CC(=O)Nc1ccc(C)cc1NC(=O)CCO[C@H](C)CC(C)C ZINC000087237610 563826261 /nfs/dbraw/zinc/82/62/61/563826261.db2.gz WMVMMIWXIDPPLD-CQSZACIVSA-N 0 0 320.433 3.733 50 0 DHAARN COc1ccc(NC(=O)Cc2ccccc2C)cc1OC(F)F ZINC000012766117 563826343 /nfs/dbraw/zinc/82/63/43/563826343.db2.gz DDRMZMPTIGSWKM-UHFFFAOYSA-N 0 0 321.323 3.786 50 0 DHAARN CC(C)n1ncc2cc(C(=O)N(C)[C@@H](C)c3ccccc3)cnc21 ZINC000012765769 563826422 /nfs/dbraw/zinc/82/64/22/563826422.db2.gz BUPIVTYBUXRJLC-AWEZNQCLSA-N 0 0 322.412 3.845 50 0 DHAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cnccn1 ZINC000012767120 563826857 /nfs/dbraw/zinc/82/68/57/563826857.db2.gz NKMHIKLHFIPERO-UHFFFAOYSA-N 0 0 316.320 3.537 50 0 DHAARN O=c1[nH]c([C@@H]2CCCS2)nc2cc(C(F)(F)F)ccc12 ZINC000084452302 563827013 /nfs/dbraw/zinc/82/70/13/563827013.db2.gz WJQIKMRGVRVKPA-JTQLQIEISA-N 0 0 300.305 3.510 50 0 DHAARN c1ncn(-c2ccc(OCc3ncc(-c4ccccc4)o3)cc2)n1 ZINC000084563066 563827478 /nfs/dbraw/zinc/82/74/78/563827478.db2.gz QPOCAHNRDDTAKL-UHFFFAOYSA-N 0 0 318.336 3.501 50 0 DHAARN Cc1cc(NC(=O)CSc2c(C)c(C)cc(C)c2C)on1 ZINC000012772440 563828401 /nfs/dbraw/zinc/82/84/01/563828401.db2.gz IFZKJHUZWGBECA-UHFFFAOYSA-N 0 0 304.415 3.948 50 0 DHAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1C ZINC000012773647 563828469 /nfs/dbraw/zinc/82/84/69/563828469.db2.gz NOYSFEFMTNQBIX-OAHLLOKOSA-N 0 0 312.344 3.507 50 0 DHAARN Cc1sc(C(=O)NCc2ncc[nH]2)cc1-c1ccc(F)cc1 ZINC000087353029 563828936 /nfs/dbraw/zinc/82/89/36/563828936.db2.gz KXLYEBODNRSYRP-UHFFFAOYSA-N 0 0 315.373 3.516 50 0 DHAARN Cc1noc(C)c1CSc1nnc(CCC2CCCC2)[nH]1 ZINC000012774878 563829187 /nfs/dbraw/zinc/82/91/87/563829187.db2.gz XZXATJJYNXNDEC-UHFFFAOYSA-N 0 0 306.435 3.825 50 0 DHAARN C[C@H](OC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(F)c(F)c1 ZINC000084647934 563829256 /nfs/dbraw/zinc/82/92/56/563829256.db2.gz YKZPSMLNYWTDDF-VIFPVBQESA-N 0 0 318.279 3.866 50 0 DHAARN CC(=O)NCc1ccc(C(=O)N(C)C2CCCCCCC2)cc1 ZINC000084753123 563830763 /nfs/dbraw/zinc/83/07/63/563830763.db2.gz OOTKSXJYRHRKPG-UHFFFAOYSA-N 0 0 316.445 3.508 50 0 DHAARN CCOC(=O)c1ccc(NCC2(c3ccccc3)CCC2)nc1 ZINC000084798582 563831619 /nfs/dbraw/zinc/83/16/19/563831619.db2.gz MMUYZZDMPQGTAD-UHFFFAOYSA-N 0 0 310.397 3.792 50 0 DHAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000012784167 563831630 /nfs/dbraw/zinc/83/16/30/563831630.db2.gz LRQRAQOUPKTIII-INIZCTEOSA-N 0 0 319.408 3.980 50 0 DHAARN COC(C)(C)c1noc(CCc2ccc(-c3ccccc3)[nH]2)n1 ZINC000085235875 563834585 /nfs/dbraw/zinc/83/45/85/563834585.db2.gz OCLYWFAMPQXVLR-UHFFFAOYSA-N 0 0 311.385 3.731 50 0 DHAARN COc1ccc(OCCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000012798717 563834618 /nfs/dbraw/zinc/83/46/18/563834618.db2.gz DHSKDFBFXWUBEL-UHFFFAOYSA-N 0 0 303.333 3.550 50 0 DHAARN CC[C@@H](CO)Nc1nc(C)nc2scc(-c3ccccc3)c21 ZINC000012817387 563837222 /nfs/dbraw/zinc/83/72/22/563837222.db2.gz OTBQUVAHZXFUAJ-ZDUSSCGKSA-N 0 0 313.426 3.850 50 0 DHAARN CCCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000012815140 563837448 /nfs/dbraw/zinc/83/74/48/563837448.db2.gz UURBXJVTXAEIAX-MRXNPFEDSA-N 0 0 308.381 3.704 50 0 DHAARN CN(Cc1ccsc1)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000035123739 563838743 /nfs/dbraw/zinc/83/87/43/563838743.db2.gz AACQTHSUIZJFPK-UHFFFAOYSA-N 0 0 301.198 3.722 50 0 DHAARN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2Br)no1 ZINC000053248293 563839157 /nfs/dbraw/zinc/83/91/57/563839157.db2.gz JDBOAVKDXVAQPS-VIFPVBQESA-N 0 0 324.178 3.628 50 0 DHAARN O=C(c1cccs1)N1CCC(CSc2ccccn2)CC1 ZINC000085557531 563839181 /nfs/dbraw/zinc/83/91/81/563839181.db2.gz AXADJHCSLPGUOJ-UHFFFAOYSA-N 0 0 318.467 3.788 50 0 DHAARN C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2ccncc2)cc1 ZINC000074296779 563839253 /nfs/dbraw/zinc/83/92/53/563839253.db2.gz CACJXTSCEAIBTJ-ZDUSSCGKSA-N 0 0 321.355 3.774 50 0 DHAARN C[C@@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2ccncc2)cc1 ZINC000074296782 563839374 /nfs/dbraw/zinc/83/93/74/563839374.db2.gz CACJXTSCEAIBTJ-CYBMUJFWSA-N 0 0 321.355 3.774 50 0 DHAARN O=C(C1CCC1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000085562238 563839465 /nfs/dbraw/zinc/83/94/65/563839465.db2.gz FYWCVVQGFGMKLW-AWEZNQCLSA-N 0 0 314.212 3.693 50 0 DHAARN C[C@@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1ccccn1 ZINC000185505836 563839944 /nfs/dbraw/zinc/83/99/44/563839944.db2.gz AWHPOJNSSYPZRM-MFKMUULPSA-N 0 0 315.339 3.563 50 0 DHAARN COc1ccc(-n2ccnc2S[C@@H]2CCCCCC2=O)cc1 ZINC000026048894 563839929 /nfs/dbraw/zinc/83/99/29/563839929.db2.gz IDARTZIDWUKOKP-MRXNPFEDSA-N 0 0 316.426 3.875 50 0 DHAARN Cc1cc(-c2csc(C[C@@H](C)n3cc(Cl)cn3)n2)on1 ZINC000185926636 563843895 /nfs/dbraw/zinc/84/38/95/563843895.db2.gz LALIKBIGJGVEAK-SECBINFHSA-N 0 0 308.794 3.760 50 0 DHAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 ZINC000012831145 563844276 /nfs/dbraw/zinc/84/42/76/563844276.db2.gz YTQLDYZHCAODHX-UHFFFAOYSA-N 0 0 319.364 3.840 50 0 DHAARN CC(=O)Nc1c(C)ccc(NCCCOCC(F)(F)F)c1C ZINC000086202655 563844906 /nfs/dbraw/zinc/84/49/06/563844906.db2.gz KGPLXRZNGUACPH-UHFFFAOYSA-N 0 0 318.339 3.643 50 0 DHAARN OCC1CC[NH+](Cc2cccc(NCc3ccccc3)c2)CC1 ZINC000086258393 563845036 /nfs/dbraw/zinc/84/50/36/563845036.db2.gz QDKVETJYBOOJHM-UHFFFAOYSA-N 0 0 310.441 3.503 50 0 DHAARN Clc1ccc(N2CCCC2)c(NCc2noc(C3CC3)n2)c1 ZINC000086203925 563845065 /nfs/dbraw/zinc/84/50/65/563845065.db2.gz YUTMTQUMXSQONN-UHFFFAOYSA-N 0 0 318.808 3.813 50 0 DHAARN CCc1nc(CNc2ccc(NC(C)=O)cc2Cl)cs1 ZINC000086205609 563845092 /nfs/dbraw/zinc/84/50/92/563845092.db2.gz AJCQJTNNBBXDTI-UHFFFAOYSA-N 0 0 309.822 3.929 50 0 DHAARN O=C1c2ccccc2-c2cccc(I)c21 ZINC000000398875 563846100 /nfs/dbraw/zinc/84/61/00/563846100.db2.gz NUFRSCSTCQDOJM-UHFFFAOYSA-N 0 0 306.102 3.503 50 0 DHAARN NC(=S)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000013675242 563847475 /nfs/dbraw/zinc/84/74/75/563847475.db2.gz JVXISXSBTWERJA-LBPRGKRZSA-N 0 0 321.858 3.796 50 0 DHAARN Cc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000012871359 563849666 /nfs/dbraw/zinc/84/96/66/563849666.db2.gz JQCXVMCVOCPLAH-ZDUSSCGKSA-N 0 0 312.369 3.649 50 0 DHAARN CCCCCNC(=O)c1sc2nc(CC)nc(C)c2c1C ZINC000012895377 563852436 /nfs/dbraw/zinc/85/24/36/563852436.db2.gz BGLJDAQKGNCGJV-UHFFFAOYSA-N 0 0 305.447 3.791 50 0 DHAARN Cc1ccc(NC(=O)CCCNC(=O)c2cccs2)c(C)c1 ZINC000012888435 563852869 /nfs/dbraw/zinc/85/28/69/563852869.db2.gz DJRAMQCQGOOBPZ-UHFFFAOYSA-N 0 0 316.426 3.514 50 0 DHAARN O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCc2ccccc21 ZINC000012910687 563853243 /nfs/dbraw/zinc/85/32/43/563853243.db2.gz ADYZNXISRVOQJN-OAHLLOKOSA-N 0 0 319.763 3.662 50 0 DHAARN CC(=O)c1ccc(O[C@H](C)C(=O)N[C@H](C)c2cccs2)cc1 ZINC000012904631 563853292 /nfs/dbraw/zinc/85/32/92/563853292.db2.gz GYBCNCONPPRHPF-DGCLKSJQSA-N 0 0 317.410 3.595 50 0 DHAARN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1Cl ZINC000012927559 563855056 /nfs/dbraw/zinc/85/50/56/563855056.db2.gz QMKFLEBWRNIERK-UHFFFAOYSA-N 0 0 317.772 3.683 50 0 DHAARN C[C@H](NC(=O)Cc1ccncc1)c1cc(Cl)ccc1Cl ZINC000186559225 563855468 /nfs/dbraw/zinc/85/54/68/563855468.db2.gz KUUYCYISZMODMW-JTQLQIEISA-N 0 0 309.196 3.808 50 0 DHAARN Cc1cc(C)c(OCC(=O)Nc2nc3c(s2)CCC3)c(C)c1 ZINC000012950054 563858587 /nfs/dbraw/zinc/85/85/87/563858587.db2.gz MFMHDXCEEPFKFU-UHFFFAOYSA-N 0 0 316.426 3.575 50 0 DHAARN C[C@@H](c1ccco1)N(C)C(=O)NCCc1cc(F)ccc1F ZINC000075092187 563859003 /nfs/dbraw/zinc/85/90/03/563859003.db2.gz ODYCNUKTJSDDRF-NSHDSACASA-N 0 0 308.328 3.503 50 0 DHAARN CC[C@@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)cc1 ZINC000075093393 563859101 /nfs/dbraw/zinc/85/91/01/563859101.db2.gz UYPXODCAMSFJIG-LSDHHAIUSA-N 0 0 307.821 3.724 50 0 DHAARN CO[C@@H](C)c1nc(COc2cc(C)ccc2C(C)=O)cs1 ZINC000075092182 563859232 /nfs/dbraw/zinc/85/92/32/563859232.db2.gz OYBLNENHIWGJIB-LBPRGKRZSA-N 0 0 305.399 3.941 50 0 DHAARN CC[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(OC)cc1 ZINC000075105319 563859575 /nfs/dbraw/zinc/85/95/75/563859575.db2.gz GIJYFXYJAIRVRV-CQSZACIVSA-N 0 0 323.314 3.994 50 0 DHAARN Cc1csc(C(C)(C)NC(=O)Nc2sc(C)nc2C)n1 ZINC000075107811 563859958 /nfs/dbraw/zinc/85/99/58/563859958.db2.gz RFHUBLQIKXTZHD-UHFFFAOYSA-N 0 0 310.448 3.582 50 0 DHAARN C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccs1 ZINC000075117472 563860252 /nfs/dbraw/zinc/86/02/52/563860252.db2.gz RUGPNZZOBGSBBN-GFCCVEGCSA-N 0 0 324.405 3.594 50 0 DHAARN O=C(NCc1ccccn1)Nc1cc(C(F)(F)F)ccc1F ZINC000075127110 563860336 /nfs/dbraw/zinc/86/03/36/563860336.db2.gz STBGNAXNNAGAPL-UHFFFAOYSA-N 0 0 313.254 3.561 50 0 DHAARN C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cccs1 ZINC000075117470 563860462 /nfs/dbraw/zinc/86/04/62/563860462.db2.gz RUGPNZZOBGSBBN-LBPRGKRZSA-N 0 0 324.405 3.594 50 0 DHAARN Cc1ccoc1C(=O)N[C@@H](C)c1nc(-c2cccnc2)cs1 ZINC000075136654 563860695 /nfs/dbraw/zinc/86/06/95/563860695.db2.gz WHTOUUZPFBBIOR-NSHDSACASA-N 0 0 313.382 3.598 50 0 DHAARN Brc1cc(Br)c(-c2cn[nH]c2)s1 ZINC000075153228 563860776 /nfs/dbraw/zinc/86/07/76/563860776.db2.gz 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/nfs/dbraw/zinc/86/47/16/563864716.db2.gz WYVADEKTUJFPGM-UHFFFAOYSA-N 0 0 317.348 3.982 50 0 DHAARN O=C(CSc1ccc(F)cc1)NCc1cncc(C2CC2)c1 ZINC000575606713 563865271 /nfs/dbraw/zinc/86/52/71/563865271.db2.gz QPDMQICBKRHCEA-UHFFFAOYSA-N 0 0 316.401 3.507 50 0 DHAARN Cc1cc(C(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)c(C)o1 ZINC000575614938 563866715 /nfs/dbraw/zinc/86/67/15/563866715.db2.gz AHSVUMJFFVIITK-HNNXBMFYSA-N 0 0 323.396 3.642 50 0 DHAARN Cc1cccc(N2CCN(C(=O)Nc3ccccc3C)CC2)c1C ZINC000006268423 563867274 /nfs/dbraw/zinc/86/72/74/563867274.db2.gz ZOZXQDUXAHXETL-UHFFFAOYSA-N 0 0 323.440 3.966 50 0 DHAARN CC[C@@H](C)NC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429857 563867282 /nfs/dbraw/zinc/86/72/82/563867282.db2.gz CVKGJKLNAKLHAF-CYBMUJFWSA-N 0 0 320.396 3.902 50 0 DHAARN O=C(NCc1cncc(C2CC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000575619247 563867863 /nfs/dbraw/zinc/86/78/63/563867863.db2.gz JUWNPVGWEARKEI-UHFFFAOYSA-N 0 0 310.441 3.792 50 0 DHAARN C[C@H](CN(C)C(=O)N[C@@H]1CCC[C@@H](C2CC2)C1)c1nccs1 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CC[C@H](C)NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1 ZINC000032151653 563873307 /nfs/dbraw/zinc/87/33/07/563873307.db2.gz UBAVCJFBMHUILC-PPYMECGQSA-N 0 0 310.397 3.589 50 0 DHAARN C[C@H](Cc1cccs1)NC(=O)c1cc(-c2ccccc2)on1 ZINC000033205402 563873553 /nfs/dbraw/zinc/87/35/53/563873553.db2.gz INNQVVOEAYJNBV-GFCCVEGCSA-N 0 0 312.394 3.764 50 0 DHAARN CC(C)[C@H](C)N(CC(F)(F)F)C(=O)/C=C/c1cncc(F)c1 ZINC000074583252 563874431 /nfs/dbraw/zinc/87/44/31/563874431.db2.gz AOPGHHWRXVOUGV-ZWNMCFTASA-N 0 0 318.314 3.669 50 0 DHAARN CCc1cc2c([nH]c(Cc3c[nH]c4ccccc34)nc2=O)s1 ZINC000053843833 563874527 /nfs/dbraw/zinc/87/45/27/563874527.db2.gz IUIHXPMDMPGNKI-UHFFFAOYSA-N 0 0 309.394 3.619 50 0 DHAARN O=C1c2ccccc2C(=O)N1C(=S)SCc1ccccc1 ZINC000075259950 563874552 /nfs/dbraw/zinc/87/45/52/563874552.db2.gz GEEGUHAAPWXYNQ-UHFFFAOYSA-N 0 0 313.403 3.501 50 0 DHAARN Cc1cnc(NC(=O)c2ccccc2C(=O)c2ccccc2)s1 ZINC000013012061 563876081 /nfs/dbraw/zinc/87/60/81/563876081.db2.gz KZSAJLOHZYIUNL-UHFFFAOYSA-N 0 0 322.389 3.935 50 0 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3.596 50 0 DHAARN CC(=O)Nc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000007129487 563903530 /nfs/dbraw/zinc/90/35/30/563903530.db2.gz KKWHFMCFKWDACN-UHFFFAOYSA-N 0 0 316.788 3.788 50 0 DHAARN Nc1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)s1 ZINC000007128682 563903716 /nfs/dbraw/zinc/90/37/16/563903716.db2.gz VWODQTFSCOQFQR-UHFFFAOYSA-N 0 0 324.818 3.721 50 0 DHAARN Cc1cc(C(=O)NCCc2cccc(F)c2)c2ccccc2n1 ZINC000007123572 563903723 /nfs/dbraw/zinc/90/37/23/563903723.db2.gz AJDVGVTWYZTDQS-UHFFFAOYSA-N 0 0 308.356 3.655 50 0 DHAARN O=C(NCCc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000007345134 563905392 /nfs/dbraw/zinc/90/53/92/563905392.db2.gz WRUDSYZFRUWWQS-UHFFFAOYSA-N 0 0 311.278 3.817 50 0 DHAARN Cc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037000984 563905413 /nfs/dbraw/zinc/90/54/13/563905413.db2.gz BLDXRGAPKYCQLG-SGMGOOAPSA-N 0 0 317.458 3.797 50 0 DHAARN CNc1nnc(SCc2cc(-c3ccccc3)on2)s1 ZINC000007383006 563905692 /nfs/dbraw/zinc/90/56/92/563905692.db2.gz IWWQXHHNKWKSEZ-UHFFFAOYSA-N 0 0 304.400 3.527 50 0 DHAARN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000007389328 563905769 /nfs/dbraw/zinc/90/57/69/563905769.db2.gz CURFKFXQVWNFHH-LBPRGKRZSA-N 0 0 314.351 3.764 50 0 DHAARN COCc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000007398430 563905866 /nfs/dbraw/zinc/90/58/66/563905866.db2.gz COJIRWKCZRHSKC-UHFFFAOYSA-N 0 0 305.761 3.747 50 0 DHAARN Cc1occc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 ZINC000007419582 563906101 /nfs/dbraw/zinc/90/61/01/563906101.db2.gz MDHJLQDAEGFVLA-UHFFFAOYSA-N 0 0 322.744 3.760 50 0 DHAARN CCCCc1nnc(NCc2cnc([C@@H]3CCCO3)s2)s1 ZINC000170592327 563906704 /nfs/dbraw/zinc/90/67/04/563906704.db2.gz CJWUMOVQZIXDED-NSHDSACASA-N 0 0 324.475 3.801 50 0 DHAARN C[C@H]1CCCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000170598824 563907041 /nfs/dbraw/zinc/90/70/41/563907041.db2.gz ZWXUPAJSHRLKMW-NSHDSACASA-N 0 0 301.308 3.847 50 0 DHAARN Cc1nsc(NC(=O)NCCc2cccc(C)c2)c1Cl ZINC000170597329 563907046 /nfs/dbraw/zinc/90/70/46/563907046.db2.gz MFSPQJKGMUDMLN-UHFFFAOYSA-N 0 0 309.822 3.778 50 0 DHAARN CCCCC1CCC(NC(=O)[C@H]2CSCCS2)CC1 ZINC000170593171 563907187 /nfs/dbraw/zinc/90/71/87/563907187.db2.gz SQJWLPMCOXCXJU-JXQTWKCFSA-N 0 0 301.521 3.700 50 0 DHAARN CC(C)CC[C@H]1CCCCN1c1nnc(-c2ccon2)s1 ZINC000170603454 563907499 /nfs/dbraw/zinc/90/74/99/563907499.db2.gz XEIZFDTVBLXGNJ-GFCCVEGCSA-N 0 0 306.435 3.988 50 0 DHAARN Fc1cccc(Nc2nnc(SCc3ncccn3)s2)c1 ZINC000170611035 563907664 /nfs/dbraw/zinc/90/76/64/563907664.db2.gz LGYXDWMOMQKNRC-UHFFFAOYSA-N 0 0 319.390 3.503 50 0 DHAARN Clc1ncc(COc2cnn(Cc3ccccc3)c2)s1 ZINC000170608985 563907771 /nfs/dbraw/zinc/90/77/71/563907771.db2.gz CMMKEHYSCNJUPB-UHFFFAOYSA-N 0 0 305.790 3.620 50 0 DHAARN Cc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccncc2F)o1 ZINC000240454728 563907971 /nfs/dbraw/zinc/90/79/71/563907971.db2.gz FYILYBWGVJRFMP-DOMZBBRYSA-N 0 0 317.364 3.730 50 0 DHAARN CCn1c(SCc2cc(-c3ccco3)on2)nnc1C1CC1 ZINC000007533931 563908068 /nfs/dbraw/zinc/90/80/68/563908068.db2.gz QWVCOWONPMPJSC-UHFFFAOYSA-N 0 0 316.386 3.716 50 0 DHAARN O=c1[nH]c2c(s1)[C@@H]1c3ccccc3O[C@@H]3CCC[C@@H](S2)[C@@H]31 ZINC000170612855 563908086 /nfs/dbraw/zinc/90/80/86/563908086.db2.gz RPODNVZRIFIAQZ-FDYHWXHSSA-N 0 0 317.435 3.604 50 0 DHAARN Cc1ccc(C(=O)OCc2nc(-c3ccccc3)no2)c(C)c1 ZINC000007549320 563908598 /nfs/dbraw/zinc/90/85/98/563908598.db2.gz JHVAGZPCBIFVBH-UHFFFAOYSA-N 0 0 308.337 3.710 50 0 DHAARN CC(C)(C)CCS(=O)(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000170626480 563908865 /nfs/dbraw/zinc/90/88/65/563908865.db2.gz YTUCAAWUNOHWNH-OAHLLOKOSA-N 0 0 301.496 3.797 50 0 DHAARN O=C(NCCOC1CCCCCC1)c1ccc2ccccc2n1 ZINC000170631041 563908945 /nfs/dbraw/zinc/90/89/45/563908945.db2.gz WRHIMCVNYCFHRS-UHFFFAOYSA-N 0 0 312.413 3.704 50 0 DHAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2scnc2c1 ZINC000010217472 563909215 /nfs/dbraw/zinc/90/92/15/563909215.db2.gz NKOMLKJYYJSAMM-UHFFFAOYSA-N 0 0 318.785 3.967 50 0 DHAARN O=C(NCCCSc1ccc(F)cc1)Nc1nccs1 ZINC000010220881 563909236 /nfs/dbraw/zinc/90/92/36/563909236.db2.gz WCJBUHLAIBVXCT-UHFFFAOYSA-N 0 0 311.407 3.586 50 0 DHAARN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000013331941 563909727 /nfs/dbraw/zinc/90/97/27/563909727.db2.gz LADACQROGNTOHB-SNVBAGLBSA-N 0 0 309.291 3.983 50 0 DHAARN O=C(NCc1coc(-c2cccs2)n1)c1cc(F)cc(F)c1 ZINC000014197391 563910425 /nfs/dbraw/zinc/91/04/25/563910425.db2.gz YQTDKWHLGUYRFH-UHFFFAOYSA-N 0 0 320.320 3.611 50 0 DHAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)C1CCC1 ZINC000014396077 563910627 /nfs/dbraw/zinc/91/06/27/563910627.db2.gz IYBYDOQBGYSOBJ-UHFFFAOYSA-N 0 0 309.413 3.964 50 0 DHAARN CC(C)CC[C@H](C)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000014634511 563910793 /nfs/dbraw/zinc/91/07/93/563910793.db2.gz PREPLKPNZDXOBT-ZDUSSCGKSA-N 0 0 317.458 3.689 50 0 DHAARN Cc1cccc(C(NC(=O)C2CCOCC2)c2cccc(C)c2)c1 ZINC000089669180 563910845 /nfs/dbraw/zinc/91/08/45/563910845.db2.gz ZRUGCSXYDHCCBY-UHFFFAOYSA-N 0 0 323.436 3.936 50 0 DHAARN Cc1nc(CCNC(=O)C[C@H](C)c2ccc(F)cc2F)cs1 ZINC000089709086 563911058 /nfs/dbraw/zinc/91/10/58/563911058.db2.gz JJXRPRPCFQJUCV-JTQLQIEISA-N 0 0 324.396 3.582 50 0 DHAARN Cc1cscc1C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000089708901 563911127 /nfs/dbraw/zinc/91/11/27/563911127.db2.gz GRDNDPWVDWZUOA-ZDUSSCGKSA-N 0 0 317.435 3.735 50 0 DHAARN Fc1cccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)c1 ZINC000089774846 563911296 /nfs/dbraw/zinc/91/12/96/563911296.db2.gz CEBWAENNPFGPAS-GFCCVEGCSA-N 0 0 302.349 3.573 50 0 DHAARN c1coc([C@H]2CCCN2Cc2nnc(-c3cccs3)o2)c1 ZINC000089794507 563911318 /nfs/dbraw/zinc/91/13/18/563911318.db2.gz WOIBUBUGYZJQSR-LLVKDONJSA-N 0 0 301.371 3.728 50 0 DHAARN NC(=O)c1cccc(NCc2cc(C(F)(F)F)ccc2F)c1 ZINC000089780580 563911353 /nfs/dbraw/zinc/91/13/53/563911353.db2.gz ZWPTUJJJSAKMDX-UHFFFAOYSA-N 0 0 312.266 3.556 50 0 DHAARN CC(=O)c1cc(C(=O)O[C@H](CC(C)C)c2ccccn2)n(C)c1 ZINC000089821051 563911477 /nfs/dbraw/zinc/91/14/77/563911477.db2.gz RXPTWPHDBXNOCP-QGZVFWFLSA-N 0 0 314.385 3.567 50 0 DHAARN O=C(NCc1ccccn1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000089873201 563911686 /nfs/dbraw/zinc/91/16/86/563911686.db2.gz MJZPHCHYUDKFQM-OALUTQOASA-N 0 0 302.377 3.655 50 0 DHAARN Cn1c2ccc(NC(=O)CCC(F)(F)F)cc2nc1C1CC1 ZINC000089870483 563911713 /nfs/dbraw/zinc/91/17/13/563911713.db2.gz HQGYSZCWIHFXIJ-UHFFFAOYSA-N 0 0 311.307 3.732 50 0 DHAARN CC(C)c1noc(CN2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089893642 563911846 /nfs/dbraw/zinc/91/18/46/563911846.db2.gz HTBAUIUNQIHGBV-UHFFFAOYSA-N 0 0 322.412 3.964 50 0 DHAARN C[C@@H](c1cccs1)[S@](=O)Cc1cnn(-c2ccccc2)c1 ZINC000089910220 563912076 /nfs/dbraw/zinc/91/20/76/563912076.db2.gz OLGGKGICHNUMOF-ZSEKCTLFSA-N 0 0 316.451 3.944 50 0 DHAARN CCc1ccc(-c2ccc(C(=O)N(C)Cc3cnccn3)o2)cc1 ZINC000076066299 563912245 /nfs/dbraw/zinc/91/22/45/563912245.db2.gz OSIBSNGFEOXHAW-UHFFFAOYSA-N 0 0 321.380 3.571 50 0 DHAARN CC(C)CC[C@@H](C)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000076094288 563912289 /nfs/dbraw/zinc/91/22/89/563912289.db2.gz OQDFAHGWDZCTPX-FIKIJFGZSA-N 0 0 314.426 3.509 50 0 DHAARN C[C@@H](S[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N(C)C ZINC000076330155 563912709 /nfs/dbraw/zinc/91/27/09/563912709.db2.gz MFAOHZNPSVPXCP-VHSXEESVSA-N 0 0 303.374 3.559 50 0 DHAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC[C@@H](C)C2)cc1C ZINC000017120352 563912778 /nfs/dbraw/zinc/91/27/78/563912778.db2.gz FQUAGGCZMZXORL-CYBMUJFWSA-N 0 0 321.428 3.669 50 0 DHAARN CCO[C@H]1C[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C12CCC2 ZINC000170638829 563913856 /nfs/dbraw/zinc/91/38/56/563913856.db2.gz JUGCMNMHORZNMY-ROUUACIJSA-N 0 0 324.424 3.555 50 0 DHAARN Cc1cc(NC(=O)c2c[nH]nc2-c2ccccc2)cc2n[nH]cc21 ZINC000347546637 563913894 /nfs/dbraw/zinc/91/38/94/563913894.db2.gz RVPGFQPUCYDYDI-UHFFFAOYSA-N 0 0 317.352 3.514 50 0 DHAARN O=C(NC[C@H]1CCCN1c1ccccc1)c1c[nH]c2ccccc12 ZINC000207992019 563914843 /nfs/dbraw/zinc/91/48/43/563914843.db2.gz BRYDBLNDXKZNDI-MRXNPFEDSA-N 0 0 319.408 3.567 50 0 DHAARN COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 ZINC000002126001 563914872 /nfs/dbraw/zinc/91/48/72/563914872.db2.gz ISVJBPVLDBOBAV-UHFFFAOYSA-N 0 0 314.381 3.784 50 0 biogenic DHAARN Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccc(F)cc1 ZINC000000042277 563915478 /nfs/dbraw/zinc/91/54/78/563915478.db2.gz GJKRGPNMAMNZDR-UHFFFAOYSA-N 0 0 300.289 3.728 50 0 DHAARN O=C([C@H]1CC=CCC1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193499044 563916039 /nfs/dbraw/zinc/91/60/39/563916039.db2.gz RQGZDOUORSGCFS-ZDUSSCGKSA-N 0 0 321.367 3.691 50 0 DHAARN c1nc(COc2ccccc2NC[C@@H]2CCC=CO2)cs1 ZINC000252489375 563916120 /nfs/dbraw/zinc/91/61/20/563916120.db2.gz JPOMAADNWLBAPJ-AWEZNQCLSA-N 0 0 302.399 3.827 50 0 DHAARN O=C(c1ccoc1)N1CCc2cc(NC[C@@H]3CCC=CO3)ccc21 ZINC000252496964 563916227 /nfs/dbraw/zinc/91/62/27/563916227.db2.gz PWRONEFLWUZIDH-KRWDZBQOSA-N 0 0 324.380 3.587 50 0 DHAARN CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)NCC(C)(C)C[C@H](C)O ZINC000252512131 563916487 /nfs/dbraw/zinc/91/64/87/563916487.db2.gz NAEPIJMVZPNQQA-PMPSAXMXSA-N 0 0 312.498 3.640 50 0 DHAARN CC(C)C[C@@H]1CCCCCN1C(=O)c1ccnn1CC(F)F ZINC000252511103 563916526 /nfs/dbraw/zinc/91/65/26/563916526.db2.gz ZTXPRFLSTZSEJB-ZDUSSCGKSA-N 0 0 313.392 3.579 50 0 DHAARN Cc1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cc1C ZINC000007605785 563917278 /nfs/dbraw/zinc/91/72/78/563917278.db2.gz KILJOCOVFVTBPQ-UHFFFAOYSA-N 0 0 308.337 3.710 50 0 DHAARN Cc1ccc(NC(=O)c2cccnc2SC(F)F)cc1O ZINC000170667954 563917609 /nfs/dbraw/zinc/91/76/09/563917609.db2.gz PUYCBHFBSUDHOG-UHFFFAOYSA-N 0 0 310.325 3.663 50 0 DHAARN O=C(CSCc1nc2ccccc2s1)Nc1nccs1 ZINC000007654827 563917648 /nfs/dbraw/zinc/91/76/48/563917648.db2.gz XCRREEPAUFZTLV-UHFFFAOYSA-N 0 0 321.452 3.625 50 0 DHAARN CN(CCOc1ccccc1)C(=S)Nc1ccccc1F ZINC000007660688 563917717 /nfs/dbraw/zinc/91/77/17/563917717.db2.gz ZIEWGQYTQBQQPH-UHFFFAOYSA-N 0 0 304.390 3.533 50 0 DHAARN COc1cc(/C=C/C(=O)OC2CCCCC2)cc(OC)c1OC ZINC000007656532 563917765 /nfs/dbraw/zinc/91/77/65/563917765.db2.gz MSMOELNJNHNEKK-MDZDMXLPSA-N 0 0 320.385 3.602 50 0 DHAARN CCCOc1cccc2c(N[C@H]3CCCn4ncnc43)ccnc12 ZINC000194725648 563917884 /nfs/dbraw/zinc/91/78/84/563917884.db2.gz PTZABSOIAILELF-HNNXBMFYSA-N 0 0 323.400 3.562 50 0 DHAARN CC(=O)CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 ZINC000007738512 563918464 /nfs/dbraw/zinc/91/84/64/563918464.db2.gz TVTDPINZSQQPIJ-UHFFFAOYSA-N 0 0 311.410 3.694 50 0 DHAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)sc1C ZINC000007762830 563918854 /nfs/dbraw/zinc/91/88/54/563918854.db2.gz DZDDCEIGJQIFLA-UHFFFAOYSA-N 0 0 318.394 3.933 50 0 DHAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)ccc1C ZINC000007758329 563918918 /nfs/dbraw/zinc/91/89/18/563918918.db2.gz MECZRVYSIIKIDQ-UHFFFAOYSA-N 0 0 312.369 3.523 50 0 DHAARN O=C(OCc1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000007761051 563918973 /nfs/dbraw/zinc/91/89/73/563918973.db2.gz ROEQZDAPQDJYFK-UHFFFAOYSA-N 0 0 314.724 3.803 50 0 DHAARN CCOc1cc(C(=O)NCc2ccccc2F)cc(Cl)c1O ZINC000007778087 563919076 /nfs/dbraw/zinc/91/90/76/563919076.db2.gz JQCPSJQCTCOVJS-UHFFFAOYSA-N 0 0 323.751 3.513 50 0 DHAARN O=C(Nc1nccs1)[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000002217121 563919523 /nfs/dbraw/zinc/91/95/23/563919523.db2.gz PLAFJNHPMMZWDH-LBPRGKRZSA-N 0 0 313.209 3.597 50 0 DHAARN Cc1ncc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)s1 ZINC000195559050 563919791 /nfs/dbraw/zinc/91/97/91/563919791.db2.gz CRRHLBMZQKYRAM-LJQANCHMSA-N 0 0 314.863 3.596 50 0 DHAARN O=Cc1c(Cl)ncnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000090826298 563920261 /nfs/dbraw/zinc/92/02/61/563920261.db2.gz RJKBQZGBVXMAOR-UHFFFAOYSA-N 0 0 317.654 3.585 50 0 DHAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3ccccc32)c1 ZINC000003254433 563920446 /nfs/dbraw/zinc/92/04/46/563920446.db2.gz RQNQZQUDDLEIDR-UHFFFAOYSA-N 0 0 323.421 3.977 50 0 DHAARN O=C(c1ccccc1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000054867351 563920744 /nfs/dbraw/zinc/92/07/44/563920744.db2.gz CSLLHXJVZJCNLW-UHFFFAOYSA-N 0 0 317.392 3.729 50 0 DHAARN O=C(NCCSc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000002721009 563920838 /nfs/dbraw/zinc/92/08/38/563920838.db2.gz HXTALXPDPGCKBB-UHFFFAOYSA-N 0 0 314.385 3.829 50 0 DHAARN Cc1ccc(F)cc1NCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000015292384 563921009 /nfs/dbraw/zinc/92/10/09/563921009.db2.gz TXVLISRYGRXGQW-OAHLLOKOSA-N 0 0 318.417 3.971 50 0 DHAARN O=C(N[C@H](c1nc2ccccc2[nH]1)c1ccccc1)c1ccco1 ZINC000022260283 563923687 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C[C@@]1(C2CC2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000009389333 563955850 /nfs/dbraw/zinc/95/58/50/563955850.db2.gz LHSIYTBGIKHMJU-FQEVSTJZSA-N 0 0 320.392 3.574 50 0 DHAARN CCOc1cc2c(cc1NC(=O)c1cccs1)O[C@H](C)C2 ZINC000009454514 563956009 /nfs/dbraw/zinc/95/60/09/563956009.db2.gz VRJDPCLSTKNKLD-SNVBAGLBSA-N 0 0 303.383 3.723 50 0 DHAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccc(Cl)c2)c1C ZINC000009446257 563956016 /nfs/dbraw/zinc/95/60/16/563956016.db2.gz NLUZBJBDDYYSKH-UHFFFAOYSA-N 0 0 318.804 3.760 50 0 DHAARN O=c1[nH]c2ccc(-c3csc(-c4cccc(F)c4)n3)cc2[nH]1 ZINC000009453380 563956022 /nfs/dbraw/zinc/95/60/22/563956022.db2.gz AEWFLNXWRUCNTQ-UHFFFAOYSA-N 0 0 311.341 3.786 50 0 DHAARN C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000009467630 563956206 /nfs/dbraw/zinc/95/62/06/563956206.db2.gz ITTHKZHBMWXSBG-ZIAGYGMSSA-N 0 0 307.397 3.934 50 0 DHAARN COc1cc(C)ccc1OCC(=O)Nc1cc(Cl)ccc1F ZINC000009458104 563956216 /nfs/dbraw/zinc/95/62/16/563956216.db2.gz JNOABOLSDVNRKM-UHFFFAOYSA-N 0 0 323.751 3.814 50 0 DHAARN Fc1ccc2ncn3c(Cc4ccc(Cl)cc4)nnc3c2c1 ZINC000009486110 563956258 /nfs/dbraw/zinc/95/62/58/563956258.db2.gz RFOZRWFIVQMRLF-UHFFFAOYSA-N 0 0 312.735 3.661 50 0 DHAARN CCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000009515252 563956368 /nfs/dbraw/zinc/95/63/68/563956368.db2.gz QAOWHLRADQSLCT-UHFFFAOYSA-N 0 0 307.397 3.854 50 0 DHAARN O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2sccc2c1 ZINC000009521442 563956545 /nfs/dbraw/zinc/95/65/45/563956545.db2.gz DHFRWVDYJARKMY-UHFFFAOYSA-N 0 0 311.362 3.811 50 0 DHAARN Nc1n[nH]c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000009550193 563956780 /nfs/dbraw/zinc/95/67/80/563956780.db2.gz DMHYVKLHJIQFHS-ZDUSSCGKSA-N 0 0 316.817 3.922 50 0 DHAARN Fc1ccc(-n2ncc3c2ncnc3Nc2cccc(F)c2)cc1 ZINC000009532233 563956798 /nfs/dbraw/zinc/95/67/98/563956798.db2.gz SGXSJNDDTIVHHU-UHFFFAOYSA-N 0 0 323.306 3.837 50 0 DHAARN Cc1noc(C)c1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000009535836 563956825 /nfs/dbraw/zinc/95/68/25/563956825.db2.gz OMWUWRGOYUWNLS-UHFFFAOYSA-N 0 0 323.190 3.544 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Cc1cccc(C2(C(=O)N(C)Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000071828385 563958984 /nfs/dbraw/zinc/95/89/84/563958984.db2.gz AZKTZLOGAOXLFH-UHFFFAOYSA-N 0 0 319.408 3.562 50 0 DHAARN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000071832896 563958997 /nfs/dbraw/zinc/95/89/97/563958997.db2.gz CWACDAOUHIRJHB-GUYCJALGSA-N 0 0 300.377 3.696 50 0 DHAARN Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)n1 ZINC000010431126 563959080 /nfs/dbraw/zinc/95/90/80/563959080.db2.gz BADMDZXNPWHPDX-UHFFFAOYSA-N 0 0 307.353 3.616 50 0 DHAARN O=C(N[C@H]1CCC[C@@H]1n1ccnc1)c1ccc2ccccc2c1 ZINC000071843152 563959146 /nfs/dbraw/zinc/95/91/46/563959146.db2.gz HZMOIRFFGTTYLX-ROUUACIJSA-N 0 0 305.381 3.560 50 0 DHAARN Cc1cc(NC(=O)[C@H](C)SCc2ccccc2Cl)no1 ZINC000071877681 563959489 /nfs/dbraw/zinc/95/94/89/563959489.db2.gz AKFNNLCHBWFIFF-JTQLQIEISA-N 0 0 310.806 3.897 50 0 DHAARN O=C(Nc1cc(-c2ccccc2Cl)[nH]n1)Nc1ccccc1 ZINC000334161265 563959968 /nfs/dbraw/zinc/95/99/68/563959968.db2.gz XOPNXWANRBSXEK-UHFFFAOYSA-N 0 0 312.760 4.374 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CCN(C(=O)[C@H](C)SCc1cc(C)on1)c1ccccc1 ZINC000071818649 568419905 /nfs/dbraw/zinc/41/99/05/568419905.db2.gz IKQRAFKCEBKRDK-ZDUSSCGKSA-N 0 0 304.415 3.658 50 0 DHAARN CC(C)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1 ZINC000252669558 568421153 /nfs/dbraw/zinc/42/11/53/568421153.db2.gz HWTXWALTBDBCNM-UHFFFAOYSA-N 0 0 320.417 3.580 50 0 DHAARN CN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000000154825 568421509 /nfs/dbraw/zinc/42/15/09/568421509.db2.gz MYWZMZJUTIEWFD-UHFFFAOYSA-N 0 0 301.308 3.990 50 0 DHAARN