smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(/C=C\C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000096594239 185384260 /nfs/dbraw/zinc/38/42/60/185384260.db2.gz YFVNZIBBIXLPDX-FPLPWBNLSA-N 0 0 315.800 4.617 50 0 DJAARN O=C(/C=C\c1ccco1)Oc1cccc(Oc2ccccc2)c1 ZINC000096619729 185384651 /nfs/dbraw/zinc/38/46/51/185384651.db2.gz XGBZCRCOALIUHV-QXMHVHEDSA-N 0 0 306.317 4.691 50 0 DJAARN C[C@H](c1ccccc1F)[S@](=O)CCc1ccccc1Cl ZINC000083080048 185212796 /nfs/dbraw/zinc/21/27/96/185212796.db2.gz NGWGKDDPPPVEGT-ODXCJYRJSA-N 0 0 310.821 4.532 50 0 DJAARN O=C(c1cc(Cl)cc(Cl)c1)c1ccnc2ccccc21 ZINC000083296969 185221743 /nfs/dbraw/zinc/22/17/43/185221743.db2.gz DHJNHDVFCODJFF-UHFFFAOYSA-N 0 0 302.160 4.773 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C)c1C ZINC000000339692 190613353 /nfs/dbraw/zinc/61/33/53/190613353.db2.gz WRFVTHBECQSJFI-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN O=C(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003079394 190616726 /nfs/dbraw/zinc/61/67/26/190616726.db2.gz QETSMUIBVUASOJ-UHFFFAOYSA-N 0 0 318.216 4.955 50 0 DJAARN CCC(=O)c1ccc(-c2ccc(Br)cc2F)cc1 ZINC000000339194 190613087 /nfs/dbraw/zinc/61/30/87/190613087.db2.gz QZZLMSXBQPHOTJ-UHFFFAOYSA-N 0 0 307.162 4.848 50 0 DJAARN CCOc1ccccc1NC(=S)Nc1cc(C)ccc1C ZINC000006936814 190626507 /nfs/dbraw/zinc/62/65/07/190626507.db2.gz XNUKECKCVRVIER-UHFFFAOYSA-N 0 0 300.427 4.511 50 0 DJAARN CCC(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000095458904 185370488 /nfs/dbraw/zinc/37/04/88/185370488.db2.gz KNUNPKHXOAALJS-ZFWWWQNUSA-N 0 0 313.363 4.648 50 0 DJAARN c1ccc([C@@H]2CCC[C@H]2Sc2nnc(C3CC3)s2)cc1 ZINC000095460233 185370584 /nfs/dbraw/zinc/37/05/84/185370584.db2.gz UMLUJJQMJNBEER-UONOGXRCSA-N 0 0 302.468 4.844 50 0 DJAARN CSc1ccc([C@@H](C)N[C@H](C)c2nc(C)cs2)cc1F ZINC000097016766 185397629 /nfs/dbraw/zinc/39/76/29/185397629.db2.gz FHHNUGDBDYYKOR-GHMZBOCLSA-N 0 0 310.463 4.724 50 0 DJAARN Cc1ccc(C(=O)Nc2cccc(C)c2Br)c(C)c1 ZINC000097020223 185398231 /nfs/dbraw/zinc/39/82/31/185398231.db2.gz IHKUEFMDKSWDNN-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN Cc1nc(CN(C#N)c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000123842951 185848283 /nfs/dbraw/zinc/84/82/83/185848283.db2.gz HEHIWKWBGIBNGA-UHFFFAOYSA-N 0 0 323.783 4.791 50 0 DJAARN COC[C@H]1CCC[C@H]1n1ccnc1-c1ccccc1C(F)(F)F ZINC000072138670 191047698 /nfs/dbraw/zinc/04/76/98/191047698.db2.gz AIKNTGNKWSMJKK-IUODEOHRSA-N 0 0 324.346 4.557 50 0 DJAARN CCc1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000072240700 191083967 /nfs/dbraw/zinc/08/39/67/191083967.db2.gz PDHGZHXNTNPOPZ-UHFFFAOYSA-N 0 0 317.314 4.955 50 0 DJAARN C[C@H](Oc1ccc(F)cc1Cl)c1nnc(-c2ccccc2)o1 ZINC000072271006 191093569 /nfs/dbraw/zinc/09/35/69/191093569.db2.gz JHTRAPYYSBSACD-JTQLQIEISA-N 0 0 318.735 4.669 50 0 DJAARN CC(C)(C)c1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1 ZINC000072331400 191124442 /nfs/dbraw/zinc/12/44/42/191124442.db2.gz PHIHWRJTZCALBN-UHFFFAOYSA-N 0 0 319.807 4.707 50 0 DJAARN O=C(Nc1ccccc1)Oc1ccc(C2SCCS2)cc1 ZINC000000031526 180672093 /nfs/dbraw/zinc/67/20/93/180672093.db2.gz ALCQACOMGJXSDO-UHFFFAOYSA-N 0 0 317.435 4.776 50 0 DJAARN Cc1ccc(O)c(C2=Nc3ccccc3N=C(C(F)(F)F)C2)c1 ZINC000000061017 180680599 /nfs/dbraw/zinc/68/05/99/180680599.db2.gz XIOAHOPUFHCFOL-UHFFFAOYSA-N 0 0 318.298 4.860 50 0 DJAARN c1coc(-c2nnc(SCc3cccc4ccccc43)o2)c1 ZINC000000063668 180681461 /nfs/dbraw/zinc/68/14/61/180681461.db2.gz MKLVTCRDCBUSLC-UHFFFAOYSA-N 0 0 308.362 4.775 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)c1c(F)cccc1F ZINC000000074911 180684988 /nfs/dbraw/zinc/68/49/88/180684988.db2.gz ZQUTYPJMNIPKNF-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Fc1ccccc1Nc1ncnc2sc3c(c21)CCCCC3 ZINC000000087443 180688287 /nfs/dbraw/zinc/68/82/87/180688287.db2.gz ZKWBGELFHUCGHT-UHFFFAOYSA-N 0 0 313.401 4.843 50 0 DJAARN Cc1ccc(OCc2nc3ccccc3n2CCC(C)C)cc1 ZINC000000092273 180689795 /nfs/dbraw/zinc/68/97/95/180689795.db2.gz QUDBGQAFVPPQKV-UHFFFAOYSA-N 0 0 308.425 4.970 50 0 DJAARN Cc1cccc2[nH]c(-c3cn(C)nc3-c3cccc(Cl)c3)nc21 ZINC000072434480 191166797 /nfs/dbraw/zinc/16/67/97/191166797.db2.gz RXLSZAGNZJFQCX-UHFFFAOYSA-N 0 0 322.799 4.592 50 0 DJAARN O=C1C[C@@H](c2ccccc2Cl)c2c(ccc3ccccc32)N1 ZINC000000124163 180700741 /nfs/dbraw/zinc/70/07/41/180700741.db2.gz DWMILJMAHCXLDD-HNNXBMFYSA-N 0 0 307.780 4.967 50 0 DJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1ccccc1 ZINC000000140646 180705973 /nfs/dbraw/zinc/70/59/73/180705973.db2.gz TTXHOBQWEBHJFP-UHFFFAOYSA-N 0 0 315.731 4.674 50 0 DJAARN Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000000144587 180707020 /nfs/dbraw/zinc/70/70/20/180707020.db2.gz XBZAVCVERYYOKO-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN Fc1ccc(COc2ccc(C3SCCS3)cc2)cc1 ZINC000000132679 180703942 /nfs/dbraw/zinc/70/39/42/180703942.db2.gz VZJLJTLXQGFTIP-UHFFFAOYSA-N 0 0 306.427 4.883 50 0 DJAARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1Cl ZINC000000133649 180704114 /nfs/dbraw/zinc/70/41/14/180704114.db2.gz OXTJUFAIZJSSAP-UHFFFAOYSA-N 0 0 317.816 4.655 50 0 DJAARN Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccco2)c1 ZINC000000206642 180725591 /nfs/dbraw/zinc/72/55/91/180725591.db2.gz RNHXHUVNPHSNCL-UHFFFAOYSA-N 0 0 318.420 4.922 50 0 DJAARN Cc1cccc2sc(NC(=O)c3ccccc3Cl)nc21 ZINC000000190899 180720623 /nfs/dbraw/zinc/72/06/23/180720623.db2.gz ZQRJBYJQVCWDSQ-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CC1=CC(C)(C)Nc2ccc(OC(=O)/C=C/c3ccccc3)cc21 ZINC000000198928 180722958 /nfs/dbraw/zinc/72/29/58/180722958.db2.gz UBNSSRNKBLFIKH-FMIVXFBMSA-N 0 0 319.404 4.913 50 0 DJAARN COc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1C ZINC000000202172 180724204 /nfs/dbraw/zinc/72/42/04/180724204.db2.gz NMUYHXFLCZDETB-UHFFFAOYSA-N 0 0 311.410 4.574 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000292004 180749296 /nfs/dbraw/zinc/74/92/96/180749296.db2.gz XBVQCSZKACBCCG-VXGBXAGGSA-N 0 0 306.192 4.736 50 0 DJAARN COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Cl ZINC000000293837 180750537 /nfs/dbraw/zinc/75/05/37/180750537.db2.gz JAFPNHKIPWULLD-UHFFFAOYSA-N 0 0 311.768 4.754 50 0 DJAARN C[C@@H]1CC(C)(C)Nc2ccc(OC(=O)c3cccs3)cc21 ZINC000000310769 180755250 /nfs/dbraw/zinc/75/52/50/180755250.db2.gz XJKSVQCSTAJIRK-LLVKDONJSA-N 0 0 301.411 4.665 50 0 DJAARN COc1cc(C)c(NC(=O)c2ccc(F)cc2)cc1C(C)C ZINC000000309537 180755534 /nfs/dbraw/zinc/75/55/34/180755534.db2.gz BLMMYXXXQOBBDZ-UHFFFAOYSA-N 0 0 301.361 4.518 50 0 DJAARN COc1cc2ccccc2cc1C(=O)Nc1c(C)cccc1C ZINC000000310625 180755650 /nfs/dbraw/zinc/75/56/50/180755650.db2.gz KOIRHXSLEDYBQC-UHFFFAOYSA-N 0 0 305.377 4.718 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000000302037 180752424 /nfs/dbraw/zinc/75/24/24/180752424.db2.gz PFKYLXPLQCGYQE-UHFFFAOYSA-N 0 0 317.816 4.618 50 0 DJAARN CCOC(=O)C/C=C1\c2ccccc2CSc2ccccc21 ZINC000000346454 180762890 /nfs/dbraw/zinc/76/28/90/180762890.db2.gz FZYYPFBPAHQUGJ-LFIBNONCSA-N 0 0 310.418 4.677 50 0 DJAARN Cc1cccc(C)c1Nc1c(-c2ccccc2)nc2ncccn21 ZINC000000320592 180759169 /nfs/dbraw/zinc/75/91/69/180759169.db2.gz MFQVEEJMIUSCAP-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN c1ccc(Cc2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000000333429 180760708 /nfs/dbraw/zinc/76/07/08/180760708.db2.gz KSIQBLGLTMDUEL-UHFFFAOYSA-N 0 0 312.372 4.994 50 0 DJAARN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000371581 180769199 /nfs/dbraw/zinc/76/91/99/180769199.db2.gz JLDXUEIBQINAKP-HNNXBMFYSA-N 0 0 319.404 4.808 50 0 DJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000000375382 180770610 /nfs/dbraw/zinc/77/06/10/180770610.db2.gz AAUMTCLLNCVODR-CQSZACIVSA-N 0 0 324.207 4.790 50 0 DJAARN Cc1cccc(C)c1NC(=O)CSc1ccc(Cl)cc1 ZINC000000379332 180771667 /nfs/dbraw/zinc/77/16/67/180771667.db2.gz FIEGCIWLVQFSSM-UHFFFAOYSA-N 0 0 305.830 4.688 50 0 DJAARN Cc1sc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1C ZINC000000349862 180763756 /nfs/dbraw/zinc/76/37/56/180763756.db2.gz RJTXKHYATSZOCW-UHFFFAOYSA-N 0 0 313.422 4.831 50 0 DJAARN Cc1ccc(-c2cn(-c3ccc(Cl)cc3)c(=O)s2)cc1 ZINC000000351750 180764005 /nfs/dbraw/zinc/76/40/05/180764005.db2.gz NQEGIFJMNRULGM-UHFFFAOYSA-N 0 0 301.798 4.528 50 0 DJAARN CC[C@@H](C)Cn1c(COc2ccc(OC)cc2)nc2ccccc21 ZINC000000352685 180764483 /nfs/dbraw/zinc/76/44/83/180764483.db2.gz NACOZGDUTOPTHQ-OAHLLOKOSA-N 0 0 324.424 4.670 50 0 DJAARN CCOc1ccccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000000362446 180767029 /nfs/dbraw/zinc/76/70/29/180767029.db2.gz GKAUHPDAFZMTIC-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000364580 180767479 /nfs/dbraw/zinc/76/74/79/180767479.db2.gz PDWLZKMVFCVFEO-OAHLLOKOSA-N 0 0 305.377 4.554 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000364645 180767603 /nfs/dbraw/zinc/76/76/03/180767603.db2.gz JBPSUAAJHZAEBO-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN COc1ccccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000000363997 180767660 /nfs/dbraw/zinc/76/76/60/180767660.db2.gz NKTFPGBZHFKELB-OAHLLOKOSA-N 0 0 311.425 4.636 50 0 DJAARN COC(=O)c1cc2oc(-c3ccc(Cl)c(Cl)c3)cc2[nH]1 ZINC000000409422 180779219 /nfs/dbraw/zinc/77/92/19/180779219.db2.gz YGNHTKOTHUEZJV-UHFFFAOYSA-N 0 0 310.136 4.521 50 0 DJAARN CSc1ccc(NC(=O)Oc2cccc3cccnc32)cc1 ZINC000000399162 180777341 /nfs/dbraw/zinc/77/73/41/180777341.db2.gz BNTMSLISVNWGMX-UHFFFAOYSA-N 0 0 310.378 4.568 50 0 DJAARN CCOc1ccccc1OC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000399582 180777574 /nfs/dbraw/zinc/77/75/74/180777574.db2.gz HCLYWVKSTRPFBP-UHFFFAOYSA-N 0 0 305.761 4.658 50 0 DJAARN O=C(CSc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000000443403 180792247 /nfs/dbraw/zinc/79/22/47/180792247.db2.gz VZZPVJXEUGGWOH-UHFFFAOYSA-N 0 0 312.221 4.724 50 0 DJAARN O=C(Nc1ccc(F)c(F)c1)C(c1ccccc1)c1ccccc1 ZINC000000461299 180797753 /nfs/dbraw/zinc/79/77/53/180797753.db2.gz MOEGHDZHDQDRKN-UHFFFAOYSA-N 0 0 323.342 4.735 50 0 DJAARN CCc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000459764 180798155 /nfs/dbraw/zinc/79/81/55/180798155.db2.gz WOXRHOAHTXEUPQ-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1 ZINC000000460397 180798200 /nfs/dbraw/zinc/79/82/00/180798200.db2.gz RSUTWVOTRWWWSW-SNVBAGLBSA-N 0 0 309.793 4.598 50 0 DJAARN CC[C@H](C)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000000465902 180799341 /nfs/dbraw/zinc/79/93/41/180799341.db2.gz ONJMLJBMSXACHB-JTQLQIEISA-N 0 0 322.202 4.808 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc([C@@H]3CC3(Cl)Cl)cc2)cc1 ZINC000000465929 180799377 /nfs/dbraw/zinc/79/93/77/180799377.db2.gz WMZWXULIHDHWAR-HNNXBMFYSA-N 0 0 320.219 4.909 50 0 DJAARN Cc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000000443369 180792631 /nfs/dbraw/zinc/79/26/31/180792631.db2.gz NUWPGDBEDIOMEB-UHFFFAOYSA-N 0 0 304.271 4.731 50 0 DJAARN Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000000443201 180792635 /nfs/dbraw/zinc/79/26/35/180792635.db2.gz JMSIWBWZSMCOKP-UHFFFAOYSA-N 0 0 304.271 4.731 50 0 DJAARN CC[C@H](C)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000451308 180795333 /nfs/dbraw/zinc/79/53/33/180795333.db2.gz YLTIPLKPLJSHGJ-ZDUSSCGKSA-N 0 0 317.816 4.871 50 0 DJAARN Cc1cc(C)c(OCC(=O)Nc2cccc(Cl)c2C)c(C)c1 ZINC000000453921 180795966 /nfs/dbraw/zinc/79/59/66/180795966.db2.gz WSZCBMHPOLEIDW-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN CCc1cc(=O)oc2c(C)c(OCc3cccc(C)c3)ccc12 ZINC000000454034 180795992 /nfs/dbraw/zinc/79/59/92/180795992.db2.gz RPOBYUQIJLWMOG-UHFFFAOYSA-N 0 0 308.377 4.551 50 0 DJAARN O=C(/C=C/c1cccs1)NC(c1ccccc1)c1ccccc1 ZINC000000476121 180803043 /nfs/dbraw/zinc/80/30/43/180803043.db2.gz PBGPDVUFPNFWIP-BUHFOSPRSA-N 0 0 319.429 4.667 50 0 DJAARN O=C(CCC1CCCCC1)NCc1ccc(Cl)c(Cl)c1 ZINC000000483215 180804793 /nfs/dbraw/zinc/80/47/93/180804793.db2.gz JIIWLLPCENTCRW-UHFFFAOYSA-N 0 0 314.256 4.970 50 0 DJAARN CC(C)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000000516365 180811044 /nfs/dbraw/zinc/81/10/44/180811044.db2.gz NWGHFVXAWKPVJO-UHFFFAOYSA-N 0 0 319.404 4.981 50 0 DJAARN CC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000000555289 180820441 /nfs/dbraw/zinc/82/04/41/180820441.db2.gz AKSRXJWWDBJANI-UHFFFAOYSA-N 0 0 313.784 4.576 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccccc1SC ZINC000000611958 180828616 /nfs/dbraw/zinc/82/86/16/180828616.db2.gz SVAKLDYICDKREU-UHFFFAOYSA-N 0 0 322.817 4.715 50 0 DJAARN Cc1cc(Br)ccc1NC(=O)CC1CCCCC1 ZINC000000859354 180836127 /nfs/dbraw/zinc/83/61/27/180836127.db2.gz SVRCJACPQUQVRL-UHFFFAOYSA-N 0 0 310.235 4.666 50 0 DJAARN Fc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000619331 180830892 /nfs/dbraw/zinc/83/08/92/180830892.db2.gz WEJRGHUCKLCHSW-UHFFFAOYSA-N 0 0 315.200 4.941 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000000999957 180839934 /nfs/dbraw/zinc/83/99/34/180839934.db2.gz CUILVPGDLGSLFT-INIZCTEOSA-N 0 0 300.789 4.539 50 0 aggregator DJAARN CCc1ccc([C@@H](C)NC(=O)Cc2cccc3ccccc32)cc1 ZINC000001129137 180847346 /nfs/dbraw/zinc/84/73/46/180847346.db2.gz SUAYVFTXDRLSCA-MRXNPFEDSA-N 0 0 317.432 4.822 50 0 DJAARN CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001200301 180849386 /nfs/dbraw/zinc/84/93/86/180849386.db2.gz ZTIKSMXQHFGQFG-UHFFFAOYSA-N 0 0 310.422 4.948 50 0 DJAARN CC1(C)Cc2nc(Nc3ccccc3Cl)sc2C(=O)C1 ZINC000001246979 180851389 /nfs/dbraw/zinc/85/13/89/180851389.db2.gz QCOATQPTFDZILR-UHFFFAOYSA-N 0 0 306.818 4.695 50 0 DJAARN COc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1C ZINC000001383980 180858047 /nfs/dbraw/zinc/85/80/47/180858047.db2.gz OXJLAXHPXIEUAL-UHFFFAOYSA-N 0 0 306.365 4.561 50 0 DJAARN CCOc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001753312 180893960 /nfs/dbraw/zinc/89/39/60/180893960.db2.gz VAWSGHQPURPOSJ-UHFFFAOYSA-N 0 0 324.302 4.748 50 0 DJAARN Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000001752666 180894116 /nfs/dbraw/zinc/89/41/16/180894116.db2.gz XUJHHLRXCDLZKW-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN CCOc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1 ZINC000001791336 180896572 /nfs/dbraw/zinc/89/65/72/180896572.db2.gz MQQVHNCMCHTWRT-UHFFFAOYSA-N 0 0 300.741 4.512 50 0 DJAARN c1nc2cc(NCc3ccncc3)ccc2n1C1CCCCC1 ZINC000002347795 180920325 /nfs/dbraw/zinc/92/03/25/180920325.db2.gz FFYDHRUQCMCORE-UHFFFAOYSA-N 0 0 306.413 4.549 50 0 DJAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1F ZINC000002496881 180927891 /nfs/dbraw/zinc/92/78/91/180927891.db2.gz KCAUXSXEAFZZQT-UHFFFAOYSA-N 0 0 323.342 4.813 50 0 DJAARN 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Cc1cc2occ(CC(=O)N[C@H](C)C(C)C)c2cc1C(C)C ZINC000025975073 182427348 /nfs/dbraw/zinc/42/73/48/182427348.db2.gz ALRHQWSFXKSPQW-CQSZACIVSA-N 0 0 301.430 4.568 50 0 DJAARN CC(C)C[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025583377 182416997 /nfs/dbraw/zinc/41/69/97/182416997.db2.gz JSPNIVZMVVXKNZ-UYAOXDASSA-N 0 0 306.409 4.602 50 0 DJAARN Cc1ccc2nc(C)c(C(=O)N(C)[C@@H](C)c3ccccc3)cc2c1 ZINC000025615920 182418227 /nfs/dbraw/zinc/41/82/27/182418227.db2.gz MGZDFTNOBRHAQG-INIZCTEOSA-N 0 0 318.420 4.685 50 0 DJAARN Cc1nc2ccccc2n1C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000026964844 182459813 /nfs/dbraw/zinc/45/98/13/182459813.db2.gz JTIWJAYMDDYRDS-IINYFYTJSA-N 0 0 323.223 4.576 50 0 DJAARN O=C(c1ccco1)N(Cc1cccs1)c1ccccc1Cl ZINC000027663587 182486851 /nfs/dbraw/zinc/48/68/51/182486851.db2.gz QILSAMWYNYABOF-UHFFFAOYSA-N 0 0 317.797 4.842 50 0 DJAARN C[C@@H](Sc1ccc(Cl)cc1)c1nc(-c2ccco2)no1 ZINC000029738110 182575791 /nfs/dbraw/zinc/57/57/91/182575791.db2.gz INKOEXUVIVSWLJ-SECBINFHSA-N 0 0 306.774 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Cn1cc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 ZINC000040149904 183040136 /nfs/dbraw/zinc/04/01/36/183040136.db2.gz ROWSIAZIQTXCHK-UHFFFAOYSA-N 0 0 310.209 4.517 50 0 DJAARN O=C(N[C@H](CCc1ccccc1)c1ccccc1)C1CCCC1 ZINC000040145899 183040169 /nfs/dbraw/zinc/04/01/69/183040169.db2.gz SPIRWNKOYMTJST-HXUWFJFHSA-N 0 0 307.437 4.667 50 0 DJAARN O=C(N[C@@H](CCc1ccccc1)c1ccccc1)C1CCCC1 ZINC000040145898 183040242 /nfs/dbraw/zinc/04/02/42/183040242.db2.gz SPIRWNKOYMTJST-FQEVSTJZSA-N 0 0 307.437 4.667 50 0 DJAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2Nc1ccccc1 ZINC000040216593 183046426 /nfs/dbraw/zinc/04/64/26/183046426.db2.gz FHFMTCVPDVWJTP-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Cc1cc2cc(NC(=O)c3cc(Cl)ccc3F)ccc2[nH]1 ZINC000040072680 183031410 /nfs/dbraw/zinc/03/14/10/183031410.db2.gz BHNIBMFXFSBRFQ-UHFFFAOYSA-N 0 0 302.736 4.521 50 0 DJAARN Cc1cc2cc(NC(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)ccc2[nH]1 ZINC000040081330 183032020 /nfs/dbraw/zinc/03/20/20/183032020.db2.gz SSHCAGAIFOHMOQ-NEEUSBFLSA-N 0 0 320.392 4.845 50 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0 322.330 4.584 50 0 DJAARN Nc1c2ccccc2oc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000043191026 183343872 /nfs/dbraw/zinc/34/38/72/183343872.db2.gz SEIYYXJTYZUGHJ-UHFFFAOYSA-N 0 0 313.356 4.913 50 0 DJAARN CCCCCCOc1ccc(C(=O)CCCC(=O)OCC)cc1 ZINC000043214344 183345427 /nfs/dbraw/zinc/34/54/27/183345427.db2.gz DOZSFMBIYQQWBJ-UHFFFAOYSA-N 0 0 320.429 4.562 50 0 DJAARN CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 ZINC000044087196 183394262 /nfs/dbraw/zinc/39/42/62/183394262.db2.gz KCUZGPPKGXEHEM-UHFFFAOYSA-N 0 0 300.814 4.915 50 0 DJAARN O=C(c1c(F)cccc1F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000046017897 183543266 /nfs/dbraw/zinc/54/32/66/183543266.db2.gz QQTMYTCEPAVEFI-OAHLLOKOSA-N 0 0 321.754 4.596 50 0 DJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000046018337 183543422 /nfs/dbraw/zinc/54/34/22/183543422.db2.gz ARKPCNPNHKBYSO-SFHVURJKSA-N 0 0 324.424 4.681 50 0 DJAARN Brc1cc(/C=C\c2nc3ccccc3o2)cs1 ZINC000048532247 183663545 /nfs/dbraw/zinc/66/35/45/183663545.db2.gz AVEPNSREQDQGSY-WAYWQWQTSA-N 0 0 306.184 4.822 50 0 DJAARN C[C@H](Sc1ncnc2ccsc21)c1cc(F)ccc1F ZINC000048705781 183681388 /nfs/dbraw/zinc/68/13/88/183681388.db2.gz FADMJQMXNRQVPG-QMMMGPOBSA-N 0 0 308.378 4.823 50 0 DJAARN Fc1cc(Cl)cc(NCc2csc(-c3ccccn3)n2)c1 ZINC000159331232 197346111 /nfs/dbraw/zinc/34/61/11/197346111.db2.gz NJEUSBXMHVICPG-UHFFFAOYSA-N 0 0 319.792 4.610 50 0 DJAARN C[C@@H](Sc1nnc(-c2cccs2)o1)c1cc(F)ccc1F ZINC000057473621 184039470 /nfs/dbraw/zinc/03/94/70/184039470.db2.gz WRCBTJHPQCRLHX-MRVPVSSYSA-N 0 0 324.377 4.930 50 0 DJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2nccn2c1 ZINC000057757685 184051745 /nfs/dbraw/zinc/05/17/45/184051745.db2.gz AUGCSKWUCZVKDE-UHFFFAOYSA-N 0 0 321.424 4.833 50 0 DJAARN Cc1[nH]c2ccccc2c1C(=O)CSCc1cccc(C)c1 ZINC000058016214 184067331 /nfs/dbraw/zinc/06/73/31/184067331.db2.gz AREWJHUZKDGIGP-UHFFFAOYSA-N 0 0 309.434 4.901 50 0 DJAARN C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 ZINC000058162918 184083225 /nfs/dbraw/zinc/08/32/25/184083225.db2.gz ZDPOJIDQFHZUOB-ZDUSSCGKSA-N 0 0 317.429 4.816 50 0 DJAARN Cc1ccc(C[S@](=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000058378381 184110341 /nfs/dbraw/zinc/11/03/41/184110341.db2.gz FUMLWOBOPKKWOY-LJQANCHMSA-N 0 0 313.249 4.751 50 0 DJAARN C[C@@H]1c2ccsc2CCN1Cc1cc(Cl)nc(Cl)c1 ZINC000058394219 184112408 /nfs/dbraw/zinc/11/24/08/184112408.db2.gz WNPIXCMWAYANSF-SECBINFHSA-N 0 0 313.253 4.569 50 0 DJAARN CCC[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000058419216 184115761 /nfs/dbraw/zinc/11/57/61/184115761.db2.gz VQWHIWCIRCMYFK-MRXNPFEDSA-N 0 0 312.457 4.529 50 0 DJAARN CC[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1cccs1 ZINC000058425212 184116211 /nfs/dbraw/zinc/11/62/11/184116211.db2.gz QIVPWXOCMYOXEV-HNNXBMFYSA-N 0 0 312.438 4.727 50 0 DJAARN CN(C(=O)c1cc(-c2ccccc2)on1)C1CCCCCCC1 ZINC000058434750 184118281 /nfs/dbraw/zinc/11/82/81/184118281.db2.gz FKXWZCZUJPYBFE-UHFFFAOYSA-N 0 0 312.413 4.527 50 0 DJAARN O=C(NC1CCCCC1)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000059842892 184141494 /nfs/dbraw/zinc/14/14/94/184141494.db2.gz HMFARBYDUWBUJL-UHFFFAOYSA-N 0 0 320.392 4.557 50 0 DJAARN Fc1cc(NCc2ccc(Br)s2)cc(F)c1F ZINC000061095870 184162035 /nfs/dbraw/zinc/16/20/35/184162035.db2.gz YWYHEBPBYHIEAH-UHFFFAOYSA-N 0 0 322.149 4.540 50 0 DJAARN Cc1ccccc1-c1cc(C(=O)Nc2c(C)cccc2C)no1 ZINC000061997085 184200690 /nfs/dbraw/zinc/20/06/90/184200690.db2.gz ULOBJUGMKKSDED-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000062923837 184260140 /nfs/dbraw/zinc/26/01/40/184260140.db2.gz YLQYOYKRKRZLFP-CYBMUJFWSA-N 0 0 317.429 4.816 50 0 DJAARN Cc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc(Cl)cc1 ZINC000064579900 184300794 /nfs/dbraw/zinc/30/07/94/184300794.db2.gz SBGGLACIUPATOB-GOSISDBHSA-N 0 0 313.828 4.555 50 0 DJAARN Cc1ccc(-c2cncc(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000064568249 184299924 /nfs/dbraw/zinc/29/99/24/184299924.db2.gz RDEOUCZUBPEWPV-UHFFFAOYSA-N 0 0 302.377 4.618 50 0 DJAARN Cc1cccc2[nH]cc(-c3csc(NCC(F)(F)F)n3)c21 ZINC000063629734 184285871 /nfs/dbraw/zinc/28/58/71/184285871.db2.gz LIGQJVOPRJIWOQ-UHFFFAOYSA-N 0 0 311.332 4.574 50 0 DJAARN COCCCc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000063630143 184285959 /nfs/dbraw/zinc/28/59/59/184285959.db2.gz YCWANKJDDSTGFA-UHFFFAOYSA-N 0 0 308.255 4.757 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)cc1 ZINC000064579842 184300520 /nfs/dbraw/zinc/30/05/20/184300520.db2.gz NKWXVVIZZACOTK-GOSISDBHSA-N 0 0 313.828 4.555 50 0 DJAARN Cc1ccc(-c2ccc(C(=O)Nc3cc(F)cc(F)c3)cn2)cc1 ZINC000065030095 184308739 /nfs/dbraw/zinc/30/87/39/184308739.db2.gz FCMTYWIAIIVKDM-UHFFFAOYSA-N 0 0 324.330 4.588 50 0 DJAARN Cc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cn2)cc1 ZINC000065030093 184309011 /nfs/dbraw/zinc/30/90/11/184309011.db2.gz IKLPOEOXQXRKLD-UHFFFAOYSA-N 0 0 316.404 4.926 50 0 DJAARN COc1ccc2oc(-c3noc(C4CCCCC4)n3)c(C)c2c1 ZINC000065097275 184311010 /nfs/dbraw/zinc/31/10/10/184311010.db2.gz NYCCFDJWAGRIGB-UHFFFAOYSA-N 0 0 312.369 4.848 50 0 DJAARN Cc1nc(-c2cccc(-c3noc(-c4ccccc4)n3)c2)cs1 ZINC000064677005 184302247 /nfs/dbraw/zinc/30/22/47/184302247.db2.gz BUQWRERUMPWWEL-UHFFFAOYSA-N 0 0 319.389 4.836 50 0 DJAARN Cc1ccccc1-c1ncc(CN(C)[C@@H](C)c2ccco2)s1 ZINC000065376409 184331086 /nfs/dbraw/zinc/33/10/86/184331086.db2.gz AXXGSEPBYHDMIP-AWEZNQCLSA-N 0 0 312.438 4.905 50 0 DJAARN CCCCc1c(-c2ccccc2)ncn1[C@@H](CC)c1ccnn1C ZINC000065380787 184332053 /nfs/dbraw/zinc/33/20/53/184332053.db2.gz KJYGYIZJXXQXNB-KRWDZBQOSA-N 0 0 322.456 4.626 50 0 DJAARN O=C(c1cccc2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000065610583 184373080 /nfs/dbraw/zinc/37/30/80/184373080.db2.gz ZRCOCZIPBYICNI-KRWDZBQOSA-N 0 0 307.418 4.879 50 0 DJAARN O=C(CCSCCCc1ccccc1)Nc1ccccc1F ZINC000065591336 184369752 /nfs/dbraw/zinc/36/97/52/184369752.db2.gz XLQJNYPWMOSBBW-UHFFFAOYSA-N 0 0 317.429 4.520 50 0 DJAARN O=C(Nc1ccc2ccccc2n1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000065505262 184355996 /nfs/dbraw/zinc/35/59/96/184355996.db2.gz ZWHACGSIRIGRCM-HUUCEWRRSA-N 0 0 322.795 4.630 50 0 DJAARN Cc1nc2ccccc2c2oc(C(=O)NC3CCC(C)CC3)cc21 ZINC000004902689 256517583 /nfs/dbraw/zinc/51/75/83/256517583.db2.gz APNVNUZPIPPNMH-UHFFFAOYSA-N 0 0 322.408 4.598 50 0 DJAARN C(=C/c1ccccc1)\CSc1nnc2sc3ccccc3n12 ZINC000022147178 256530213 /nfs/dbraw/zinc/53/02/13/256530213.db2.gz NGXMSYMFBLJYTG-RMKNXTFCSA-N 0 0 323.446 4.750 50 0 DJAARN CCc1nc2cc(-c3noc(-c4ccc(C)c(F)c4)n3)ccc2o1 ZINC000065149805 256542018 /nfs/dbraw/zinc/54/20/18/256542018.db2.gz XHZUMIBDTABINA-UHFFFAOYSA-N 0 0 323.327 4.555 50 0 DJAARN CC1=C[C@@H](C)C2(COC([C@@H]3[C@H](C)CC(C)=C[C@@H]3C)OC2)[C@H](C)C1 ZINC000239287500 256601248 /nfs/dbraw/zinc/60/12/48/256601248.db2.gz CXAHWQODSLYXFB-JVARQFBYSA-N 0 0 318.501 5.206 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@]5(CS5)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000252693894 256615430 /nfs/dbraw/zinc/61/54/30/256615430.db2.gz GXTQNPGSFWVXDC-PPGADEDESA-N 0 0 320.542 4.876 50 0 biogenic DJAARN C(=C/C1=NN(c2ccccc2)[C@@H](c2ccco2)C1)\c1ccco1 ZINC000000476948 257211358 /nfs/dbraw/zinc/21/13/58/257211358.db2.gz VLTZONYFQFOYOS-DOJUMQAQSA-N 0 0 304.349 4.893 50 0 DJAARN COc1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000401715 257234148 /nfs/dbraw/zinc/23/41/48/257234148.db2.gz ZUMRRXOFNPWKJR-UHFFFAOYSA-N 0 0 312.152 4.613 50 0 DJAARN CCCCOc1ccc(OC(=O)[C@H]2CC[C@H](CC)CC2)cc1 ZINC000245189263 257240550 /nfs/dbraw/zinc/24/05/50/257240550.db2.gz INSHVYHEMJBBET-WKILWMFISA-N 0 0 304.430 4.987 50 0 DJAARN CCOc1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000361972 257242979 /nfs/dbraw/zinc/24/29/79/257242979.db2.gz DEXKLBBYEHQNGW-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN CO[C@H](C)c1cccc(-c2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000426519227 257248039 /nfs/dbraw/zinc/24/80/39/257248039.db2.gz IXSQSTDVCAUXQR-MRXNPFEDSA-N 0 0 323.436 4.687 50 0 DJAARN Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](C)c1cccs1 ZINC000006851862 257267932 /nfs/dbraw/zinc/26/79/32/257267932.db2.gz LVGQBQJKXIRKOB-SNVBAGLBSA-N 0 0 319.813 4.947 50 0 DJAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000071818193 184850530 /nfs/dbraw/zinc/85/05/30/184850530.db2.gz BGLBFPRYZZUHQH-OAHLLOKOSA-N 0 0 320.502 4.760 50 0 DJAARN COc1ccc([C@@]2(C)CC(C)(C)N(C(C)=O)c3ccccc32)cc1 ZINC000000242953 134433507 /nfs/dbraw/zinc/43/35/07/134433507.db2.gz VOECUKHOMGRCMC-OAQYLSRUSA-N 0 0 323.436 4.536 50 0 DJAARN Cc1ccc(NC(=O)N2C[C@H](C)Sc3ccccc32)cc1F ZINC000006876953 134480952 /nfs/dbraw/zinc/48/09/52/134480952.db2.gz RUGMIACKABDLLV-LBPRGKRZSA-N 0 0 316.401 4.667 50 0 DJAARN CC1(C)C=CN(c2cc(C(F)(F)F)ccc2Cl)C(=S)N1 ZINC000059124512 134797963 /nfs/dbraw/zinc/79/79/63/134797963.db2.gz GWPFWWMWSXVIOJ-UHFFFAOYSA-N 0 0 320.767 4.757 50 0 DJAARN O=C(Nc1ccccc1F)NC(c1ccccc1)c1ccccc1 ZINC000000401917 262528919 /nfs/dbraw/zinc/52/89/19/262528919.db2.gz ARDRKGQVGKQXBA-UHFFFAOYSA-N 0 0 320.367 4.737 50 0 DJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1 ZINC000000464612 262529956 /nfs/dbraw/zinc/52/99/56/262529956.db2.gz NYCXITZUXBRBKN-CYBMUJFWSA-N 0 0 315.388 4.529 50 0 DJAARN CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1-c1ccccc1 ZINC000000058545 331458663 /nfs/dbraw/zinc/45/86/63/331458663.db2.gz ABPDNHZRNOLJJN-UHFFFAOYSA-N 0 0 305.377 4.834 50 0 DJAARN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccco1 ZINC000000617433 331463910 /nfs/dbraw/zinc/46/39/10/331463910.db2.gz WECVTNKFNNYVCU-UHFFFAOYSA-N 0 0 309.390 4.824 50 0 DJAARN CCCC[C@H](C)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000006172877 331494169 /nfs/dbraw/zinc/49/41/69/331494169.db2.gz SWLIOHQOOUYMBE-NSHDSACASA-N 0 0 309.866 4.714 50 0 DJAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000007053114 331500813 /nfs/dbraw/zinc/50/08/13/331500813.db2.gz GZAVJGFPKCZIMD-CQSZACIVSA-N 0 0 317.454 4.618 50 0 DJAARN O=C(N[C@H]1CCc2ccccc21)c1ccccc1-c1ccccc1 ZINC000010960346 331521882 /nfs/dbraw/zinc/52/18/82/331521882.db2.gz QXZZLIXQRISKFC-NRFANRHFSA-N 0 0 313.400 4.771 50 0 DJAARN CCC(CC)[C@H](NC(=O)Cc1ccccc1F)c1cccs1 ZINC000040157014 331681073 /nfs/dbraw/zinc/68/10/73/331681073.db2.gz HCZHMWPVSMCRGK-SFHVURJKSA-N 0 0 319.445 4.723 50 0 DJAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1cccc(C(F)(F)F)c1 ZINC000071281569 331921558 /nfs/dbraw/zinc/92/15/58/331921558.db2.gz RFXMESIPDJENNE-LBPRGKRZSA-N 0 0 323.318 4.606 50 0 DJAARN COc1cccc(NC(=O)Oc2ccc(Cl)cc2Cl)c1 ZINC000000401725 336220180 /nfs/dbraw/zinc/22/01/80/336220180.db2.gz RKHCHKFMSKULLL-UHFFFAOYSA-N 0 0 312.152 4.613 50 0 DJAARN COc1ccc(SC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000000400369 336220250 /nfs/dbraw/zinc/22/02/50/336220250.db2.gz VAWCFVLWLSVPIL-UHFFFAOYSA-N 0 0 307.802 4.981 50 0 DJAARN COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C)ccc1C ZINC000000333456 340365403 /nfs/dbraw/zinc/36/54/03/340365403.db2.gz JQUSCLBXUJUGIY-HNNXBMFYSA-N 0 0 311.425 4.519 50 0 DJAARN CCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C ZINC000000974868 535318759 /nfs/dbraw/zinc/31/87/59/535318759.db2.gz DJJAZMCVPBKKDS-NRFANRHFSA-N 0 0 307.437 4.918 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2ccc(C)cc2C)c2cc(C)ccc2O1 ZINC000006843371 536123791 /nfs/dbraw/zinc/12/37/91/536123791.db2.gz RQPCINVKANFJMH-INIZCTEOSA-N 0 0 324.424 4.821 50 0 DJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1sccc1Cl ZINC000240412726 563776279 /nfs/dbraw/zinc/77/62/79/563776279.db2.gz FNWIVOTWEPVLHV-UHFFFAOYSA-N 0 0 320.826 4.777 50 0 DJAARN Cc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1Cl ZINC000002562004 563939241 /nfs/dbraw/zinc/93/92/41/563939241.db2.gz DUAMEIMKGVWYAQ-UHFFFAOYSA-N 0 0 320.219 4.895 50 0 DJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@]3(CC=CCC3)C2)C1(C)C ZINC000230212312 563942150 /nfs/dbraw/zinc/94/21/50/563942150.db2.gz NKRSUMHLEACYAP-FUHIMQAGSA-N 0 0 301.474 4.574 50 0 DJAARN CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccco1 ZINC000003185483 563942633 /nfs/dbraw/zinc/94/26/33/563942633.db2.gz QEOAGCKZRKLKDN-OAHLLOKOSA-N 0 0 309.302 4.656 50 0 DJAARN Cc1sc2ncnc(SCc3ccc(F)cc3)c2c1C ZINC000000084914 563214388 /nfs/dbraw/zinc/21/43/88/563214388.db2.gz YEXABKUJFKDQNB-UHFFFAOYSA-N 0 0 304.415 4.740 50 0 DJAARN Clc1ccc(CSc2nnc(-c3ccncc3)s2)cc1 ZINC000000130909 563221706 /nfs/dbraw/zinc/22/17/06/563221706.db2.gz POQKNVLGFHBPOP-UHFFFAOYSA-N 0 0 319.842 4.546 50 0 DJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000364643 563245463 /nfs/dbraw/zinc/24/54/63/563245463.db2.gz JBPSUAAJHZAEBO-NSHDSACASA-N 0 0 324.207 4.708 50 0 DJAARN COc1ccc(CCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000002516582 563306626 /nfs/dbraw/zinc/30/66/26/563306626.db2.gz OPHGFDYASFQHND-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN COc1cccc(CCC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000002516524 563306775 /nfs/dbraw/zinc/30/67/75/563306775.db2.gz SWYHIMUQQNATTC-UHFFFAOYSA-N 0 0 308.299 4.530 50 0 DJAARN CC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000014084661 563395639 /nfs/dbraw/zinc/39/56/39/563395639.db2.gz NEILUTHTWYVGGR-UHFFFAOYSA-N 0 0 319.857 4.941 50 0 DJAARN C/C(=C/CO)CC[C@H]1[C@]2(C)CCCC(C)(C)[C@@H]2CC[C@]1(C)O ZINC000031155312 560090746 /nfs/dbraw/zinc/09/07/46/560090746.db2.gz LEOHDQKUMQKLMP-ADSOYNLJSA-N 0 0 308.506 4.699 50 0 biogenic,in-vitro DJAARN Cc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1C ZINC000000038509 563211507 /nfs/dbraw/zinc/21/15/07/563211507.db2.gz PSHNRAPHWMHQFC-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C)c(C)c1 ZINC000000038404 563211558 /nfs/dbraw/zinc/21/15/58/563211558.db2.gz HAKFLRJFSPHPIU-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000000001479 563211180 /nfs/dbraw/zinc/21/11/80/563211180.db2.gz PTCGDEVVHUXTMP-UHFFFAOYSA-N 0 0 323.314 4.745 50 0 in-vitro DJAARN C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1 ZINC000000035994 563211322 /nfs/dbraw/zinc/21/13/22/563211322.db2.gz YHYOZFKTRSUULA-CMPLNLGQSA-N 0 0 314.256 4.938 50 0 DJAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000000037776 563211420 /nfs/dbraw/zinc/21/14/20/563211420.db2.gz BOSXHOFYMXHVPF-UHFFFAOYSA-N 0 0 314.816 4.583 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1Br ZINC000000038575 563211458 /nfs/dbraw/zinc/21/14/58/563211458.db2.gz LYCZZLICJPTWOK-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN O=c1oc2cc3occ(-c4ccccc4)c3cc2c2c1CCC2 ZINC000000044911 563211751 /nfs/dbraw/zinc/21/17/51/563211751.db2.gz DXFJDGKIHQIXBY-UHFFFAOYSA-N 0 0 302.329 4.695 50 0 biogenic DJAARN Cc1cc(C)c(OCC(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000000049816 563211936 /nfs/dbraw/zinc/21/19/36/563211936.db2.gz JTFGCDMMQXGFQS-UHFFFAOYSA-N 0 0 319.404 4.783 50 0 DJAARN CCN(CC)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1 ZINC000000060748 563212183 /nfs/dbraw/zinc/21/21/83/563212183.db2.gz SHSCJKXBTDSPNK-UHFFFAOYSA-N 0 0 310.441 4.909 50 0 DJAARN Cc1c2ccccc2oc(=O)c1-c1cccc(Br)c1 ZINC000000057808 563212194 /nfs/dbraw/zinc/21/21/94/563212194.db2.gz KZSSDNUKQDGMEZ-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 DJAARN Fc1ccc(NC(=S)NCc2csc3ccccc23)cc1 ZINC000000069424 563212785 /nfs/dbraw/zinc/21/27/85/563212785.db2.gz MQFXMIQMJAZMOU-UHFFFAOYSA-N 0 0 316.426 4.527 50 0 DJAARN Cc1nnc(Sc2nc3ccccc3s2)c2ccccc12 ZINC000000079451 563213914 /nfs/dbraw/zinc/21/39/14/563213914.db2.gz QRLMCLOTHBGUBK-UHFFFAOYSA-N 0 0 309.419 4.699 50 0 DJAARN COc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000000078490 563214040 /nfs/dbraw/zinc/21/40/40/563214040.db2.gz NDGDUHQDWBQUHY-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN CCN(CC)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 ZINC000000088303 563215332 /nfs/dbraw/zinc/21/53/32/563215332.db2.gz ALRMSYIIXKAFEY-UHFFFAOYSA-N 0 0 324.453 4.795 50 0 DJAARN Cc1cc2c(cc1C)[C@H](c1ccc(Cl)c(F)c1)CC(=O)N2 ZINC000000093773 563215905 /nfs/dbraw/zinc/21/59/05/563215905.db2.gz AZJFWEPNHDEVRZ-LBPRGKRZSA-N 0 0 303.764 4.570 50 0 DJAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000000104464 563217651 /nfs/dbraw/zinc/21/76/51/563217651.db2.gz DOJJWBNXBPCRIU-HXUWFJFHSA-N 0 0 314.388 4.766 50 0 DJAARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccco3)ccc2o1 ZINC000000106507 563218068 /nfs/dbraw/zinc/21/80/68/563218068.db2.gz CIBCVBMUMDDUQI-UHFFFAOYSA-N 0 0 318.332 4.649 50 0 DJAARN CC1CCN(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000000118358 563219894 /nfs/dbraw/zinc/21/98/94/563219894.db2.gz DKVITPAITHFRKP-UHFFFAOYSA-N 0 0 306.620 4.519 50 0 DJAARN CC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000000117169 563220031 /nfs/dbraw/zinc/22/00/31/563220031.db2.gz AQGOECUVZLYAEW-UHFFFAOYSA-N 0 0 321.401 4.870 50 0 DJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(C)c1 ZINC000000129801 563221571 /nfs/dbraw/zinc/22/15/71/563221571.db2.gz QZPWSWYNZOFEPZ-AWEZNQCLSA-N 0 0 317.816 4.671 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1C ZINC000000129791 563221791 /nfs/dbraw/zinc/22/17/91/563221791.db2.gz ROSJERVQYDABFM-CQSZACIVSA-N 0 0 317.816 4.671 50 0 DJAARN COc1cccc(-c2cnc(Nc3ccc(F)cc3)s2)c1 ZINC000000136003 563222183 /nfs/dbraw/zinc/22/21/83/563222183.db2.gz ATHTWVZNAHADCL-UHFFFAOYSA-N 0 0 300.358 4.701 50 0 DJAARN Cc1onc(-c2ccccc2Cl)c1[C@H](O)c1ccc(F)cc1 ZINC000000140726 563223205 /nfs/dbraw/zinc/22/32/05/563223205.db2.gz YMXOPZVQTQUWKF-QGZVFWFLSA-N 0 0 317.747 4.524 50 0 DJAARN Cc1cc(OCC(=O)Nc2cccc(Cl)c2)ccc1C(C)C ZINC000000142386 563223244 /nfs/dbraw/zinc/22/32/44/563223244.db2.gz CRXYGMHAERFWNJ-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN COc1ccc2c(c1)occ(Oc1ccccc1C(C)C)c2=O ZINC000000144792 563223802 /nfs/dbraw/zinc/22/38/02/563223802.db2.gz HFIZDMIDXCTDBU-UHFFFAOYSA-N 0 0 310.349 4.717 50 0 DJAARN CC(C)Oc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000144445 563223984 /nfs/dbraw/zinc/22/39/84/563223984.db2.gz JWQBAKXKQSVUOB-UHFFFAOYSA-N 0 0 304.777 4.771 50 0 DJAARN O=C(Nc1ccccc1O)c1sc2ccccc2c1Cl ZINC000000146428 563223988 /nfs/dbraw/zinc/22/39/88/563223988.db2.gz DCTNTBIEOCKTIL-UHFFFAOYSA-N 0 0 303.770 4.513 50 0 DJAARN COc1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000000145316 563223997 /nfs/dbraw/zinc/22/39/97/563223997.db2.gz XVPXNZVQYIQCQP-UHFFFAOYSA-N 0 0 303.789 4.526 50 0 DJAARN Cc1ccc2nc(NC(=O)c3c(C)cc(C)cc3C)sc2c1 ZINC000000145236 563224109 /nfs/dbraw/zinc/22/41/09/563224109.db2.gz CKFVTMRLZJENQS-UHFFFAOYSA-N 0 0 310.422 4.782 50 0 DJAARN Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000000145282 563224115 /nfs/dbraw/zinc/22/41/15/563224115.db2.gz UMKYBXYCQAPODA-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN O=C(Cc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000000154044 563225032 /nfs/dbraw/zinc/22/50/32/563225032.db2.gz WNIPEWMAKOZJJR-UHFFFAOYSA-N 0 0 315.294 4.679 50 0 DJAARN O=C(Sc1ccccc1)c1cccnc1Oc1ccccc1 ZINC000000150712 563225097 /nfs/dbraw/zinc/22/50/97/563225097.db2.gz LNAYEFBDTGNIOM-UHFFFAOYSA-N 0 0 307.374 4.806 50 0 DJAARN COc1ccc2cc(C(=O)c3ccc(Cl)c(C)c3)oc2c1 ZINC000000150613 563225193 /nfs/dbraw/zinc/22/51/93/563225193.db2.gz UOGNPAORNZFVIF-UHFFFAOYSA-N 0 0 300.741 4.634 50 0 DJAARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCCc2ccccc21 ZINC000000157286 563225643 /nfs/dbraw/zinc/22/56/43/563225643.db2.gz GDIHXPBJLYTMDI-UHFFFAOYSA-N 0 0 321.207 4.978 50 0 DJAARN O=C(Nc1ccccc1)Nc1ccc(C2SCCS2)cc1 ZINC000000166016 563226363 /nfs/dbraw/zinc/22/63/63/563226363.db2.gz FFKBTISJJKUBSZ-UHFFFAOYSA-N 0 0 316.451 4.809 50 0 DJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1 ZINC000000174884 563227758 /nfs/dbraw/zinc/22/77/58/563227758.db2.gz UNADPWLMHDXFRX-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN CCOc1cc(C)c2c(c1)oc(C)c(Oc1ccccc1)c2=O ZINC000000189817 563229152 /nfs/dbraw/zinc/22/91/52/563229152.db2.gz BIQRXFMXGOMWET-UHFFFAOYSA-N 0 0 310.349 4.601 50 0 biogenic DJAARN CCCc1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 ZINC000000189803 563229160 /nfs/dbraw/zinc/22/91/60/563229160.db2.gz RMFLNJUODUOYTN-UHFFFAOYSA-N 0 0 310.349 4.546 50 0 biogenic DJAARN O=C(c1ccncc1)N1c2ccccc2Sc2ccccc21 ZINC000000199061 563229694 /nfs/dbraw/zinc/22/96/94/563229694.db2.gz YJFSIPCNMNUHNM-UHFFFAOYSA-N 0 0 304.374 4.525 50 0 DJAARN Cc1c(C)n(C(=O)CNc2ccc(C)cc2C)c2ccccc12 ZINC000000192137 563229701 /nfs/dbraw/zinc/22/97/01/563229701.db2.gz JEZRQZPLRBJNJJ-UHFFFAOYSA-N 0 0 306.409 4.627 50 0 DJAARN O=C(NC1CCCC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000217147 563231603 /nfs/dbraw/zinc/23/16/03/563231603.db2.gz CUXNEHWLLUYBFR-UHFFFAOYSA-N 0 0 316.404 4.574 50 0 DJAARN COc1ccc(CCCC(=O)Nc2c(C)cccc2C)cc1C ZINC000000237602 563232275 /nfs/dbraw/zinc/23/22/75/563232275.db2.gz XPVADVQRANUTNW-UHFFFAOYSA-N 0 0 311.425 4.582 50 0 DJAARN O=C(NCC1(c2ccccc2)CCCC1)c1cccc(Cl)c1 ZINC000000242147 563232763 /nfs/dbraw/zinc/23/27/63/563232763.db2.gz NMALZJLBXWTQKV-UHFFFAOYSA-N 0 0 313.828 4.582 50 0 DJAARN COCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000000246928 563233580 /nfs/dbraw/zinc/23/35/80/563233580.db2.gz GUOAKZTUEVYOSK-UHFFFAOYSA-N 0 0 321.207 4.538 50 0 DJAARN COc1ccc(NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cc1 ZINC000000248005 563233621 /nfs/dbraw/zinc/23/36/21/563233621.db2.gz BOKIRZDRFKKLGV-CYBMUJFWSA-N 0 0 317.816 4.556 50 0 DJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl ZINC000000247231 563233631 /nfs/dbraw/zinc/23/36/31/563233631.db2.gz PDXDUASSQGRCBX-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN Cc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000000265960 563234674 /nfs/dbraw/zinc/23/46/74/563234674.db2.gz XSGCDSBMEQGLPD-UHFFFAOYSA-N 0 0 316.404 4.551 50 0 DJAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000288214 563236626 /nfs/dbraw/zinc/23/66/26/563236626.db2.gz IXERYQXVNKDQJH-UHFFFAOYSA-N 0 0 303.361 4.615 50 0 DJAARN CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000288213 563236633 /nfs/dbraw/zinc/23/66/33/563236633.db2.gz RTOMUFLVUUQGRB-UHFFFAOYSA-N 0 0 315.372 4.809 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1C[C@@H]1c1ccccc1 ZINC000000292007 563236637 /nfs/dbraw/zinc/23/66/37/563236637.db2.gz XBVQCSZKACBCCG-NEPJUHHUSA-N 0 0 306.192 4.736 50 0 DJAARN CCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000000295546 563237297 /nfs/dbraw/zinc/23/72/97/563237297.db2.gz FNRWOUPKHMVSOW-KXBFYZLASA-N 0 0 308.425 4.765 50 0 DJAARN Cc1c(C)c(=O)oc2c(C)c(O[C@@H](C)c3ccccc3)ccc12 ZINC000000307100 563238360 /nfs/dbraw/zinc/23/83/60/563238360.db2.gz YBHQIRWJMQNGKC-HNNXBMFYSA-N 0 0 308.377 4.858 50 0 DJAARN Cc1cc(=O)oc2cc(OCc3ccc4ccccc4c3)ccc12 ZINC000000305964 563238436 /nfs/dbraw/zinc/23/84/36/563238436.db2.gz JYDLPXIWTCDTED-UHFFFAOYSA-N 0 0 316.356 4.834 50 0 biogenic DJAARN O=C(Cc1cccs1)N1c2ccccc2CCc2ccccc21 ZINC000000308893 563239230 /nfs/dbraw/zinc/23/92/30/563239230.db2.gz VWNYKHIVOPHWGR-UHFFFAOYSA-N 0 0 319.429 4.754 50 0 DJAARN COc1ccccc1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000000311108 563239735 /nfs/dbraw/zinc/23/97/35/563239735.db2.gz AFDTZWHDBSERLL-UHFFFAOYSA-N 0 0 317.388 4.543 50 0 DJAARN O=C(CCC1CCCCC1)Nc1ccccc1Br ZINC000000312204 563239787 /nfs/dbraw/zinc/23/97/87/563239787.db2.gz MZIRYTSMDDWMQT-UHFFFAOYSA-N 0 0 310.235 4.748 50 0 DJAARN CCC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl ZINC000000316263 563240147 /nfs/dbraw/zinc/24/01/47/563240147.db2.gz XCVSAVFRHFKDHM-UHFFFAOYSA-N 0 0 314.772 4.805 50 0 DJAARN CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000000316870 563240300 /nfs/dbraw/zinc/24/03/00/563240300.db2.gz XKQQAUDSNDCHCZ-UHFFFAOYSA-N 0 0 303.789 4.608 50 0 DJAARN Cc1cc(N2CCCCCC2)c(F)cc1C(=O)c1ccccc1 ZINC000000318749 563240704 /nfs/dbraw/zinc/24/07/04/563240704.db2.gz VONCYICMXQPCFY-UHFFFAOYSA-N 0 0 311.400 4.746 50 0 DJAARN O=C(/C=C/c1ccco1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000319019 563240816 /nfs/dbraw/zinc/24/08/16/563240816.db2.gz SFFGXEGQKPMJSB-ONEGZZNKSA-N 0 0 316.571 4.892 50 0 DJAARN Cc1sc2ncnc(N3CCC(C)CC3)c2c1-c1ccccc1 ZINC000000351593 563243196 /nfs/dbraw/zinc/24/31/96/563243196.db2.gz XOXOIGYRSLPRHJ-UHFFFAOYSA-N 0 0 323.465 4.903 50 0 DJAARN COc1ccc(-n2c(C)nc3ccc(C)c4nc(C)cc2c34)cc1 ZINC000000353522 563243775 /nfs/dbraw/zinc/24/37/75/563243775.db2.gz JPQUIURKYIEEQK-UHFFFAOYSA-N 0 0 317.392 4.508 50 0 DJAARN c1ccc2[nH]c(-c3ccc(-c4nc5ccccc5[nH]4)cc3)nc2c1 ZINC000000353740 563243839 /nfs/dbraw/zinc/24/38/39/563243839.db2.gz WHEVDDQAPKQQAV-UHFFFAOYSA-N 0 0 310.360 4.773 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000357347 563243853 /nfs/dbraw/zinc/24/38/53/563243853.db2.gz ZQLBUJQGMJZHDD-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN Clc1ccc(-c2nnc(CCc3ccccc3)o2)c(Cl)c1 ZINC000000359179 563244158 /nfs/dbraw/zinc/24/41/58/563244158.db2.gz QHXMYMPUHFVKET-UHFFFAOYSA-N 0 0 319.191 4.829 50 0 DJAARN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000000362282 563244953 /nfs/dbraw/zinc/24/49/53/563244953.db2.gz NHUDXQZJHTYTRL-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN O=C(Cc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000000363777 563245363 /nfs/dbraw/zinc/24/53/63/563245363.db2.gz BOGNFSBHIOHWMX-UHFFFAOYSA-N 0 0 313.706 4.540 50 0 DJAARN COc1ccccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000000363998 563245437 /nfs/dbraw/zinc/24/54/37/563245437.db2.gz NKTFPGBZHFKELB-HNNXBMFYSA-N 0 0 311.425 4.636 50 0 DJAARN O=C(CCCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000363309 563245514 /nfs/dbraw/zinc/24/55/14/563245514.db2.gz IKRUFXCDLFGFCS-UHFFFAOYSA-N 0 0 308.208 4.955 50 0 DJAARN O=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000000373419 563246464 /nfs/dbraw/zinc/24/64/64/563246464.db2.gz IBHNOWHPQXEGKK-UHFFFAOYSA-N 0 0 305.544 4.631 50 0 DJAARN CCCc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1 ZINC000000372265 563246547 /nfs/dbraw/zinc/24/65/47/563246547.db2.gz YAZRQIGFQSCHBM-UHFFFAOYSA-N 0 0 305.377 4.641 50 0 DJAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000000376320 563247034 /nfs/dbraw/zinc/24/70/34/563247034.db2.gz IHFUEAHNRAJQFJ-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000000374395 563247091 /nfs/dbraw/zinc/24/70/91/563247091.db2.gz GQHUYCIWDCEUFA-UHFFFAOYSA-N 0 0 311.715 4.502 50 0 DJAARN Cc1cc2nc(-c3ccc(C(C)C)cc3)cc(C(F)(F)F)n2n1 ZINC000000374955 563247205 /nfs/dbraw/zinc/24/72/05/563247205.db2.gz BOWALXMYOPIBCW-UHFFFAOYSA-N 0 0 319.330 4.847 50 0 DJAARN C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000000380000 563247569 /nfs/dbraw/zinc/24/75/69/563247569.db2.gz FGQVBHPCVRRSIZ-LBPRGKRZSA-N 0 0 305.830 4.600 50 0 DJAARN Cc1cc2n(n1)[C@@H](c1ccc(Cl)cc1)Nc1c(C)cccc1-2 ZINC000000382408 563247593 /nfs/dbraw/zinc/24/75/93/563247593.db2.gz LENDAUWJECWOBW-SFHVURJKSA-N 0 0 309.800 4.793 50 0 DJAARN CSc1ccccc1NC(=O)CSCc1ccc(C)cc1 ZINC000000382742 563248204 /nfs/dbraw/zinc/24/82/04/563248204.db2.gz CILYCMSMHNLARX-UHFFFAOYSA-N 0 0 317.479 4.589 50 0 DJAARN CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000000396228 563250559 /nfs/dbraw/zinc/25/05/59/563250559.db2.gz YOQJECGJUVTVKL-UHFFFAOYSA-N 0 0 301.217 4.790 50 0 DJAARN CC(C)c1cccc(C(C)C)c1NC(=O)NCc1cccnc1 ZINC000000397303 563250567 /nfs/dbraw/zinc/25/05/67/563250567.db2.gz HGINMLQXSUCQBT-UHFFFAOYSA-N 0 0 311.429 4.650 50 0 DJAARN O=C(NCc1ccco1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000396471 563250570 /nfs/dbraw/zinc/25/05/70/563250570.db2.gz HUQPZFIZCGKBKS-UHFFFAOYSA-N 0 0 319.575 4.562 50 0 DJAARN COc1cccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000398374 563250613 /nfs/dbraw/zinc/25/06/13/563250613.db2.gz DCZOTQMVYZGUBK-UHFFFAOYSA-N 0 0 312.152 4.613 50 0 DJAARN CCOc1ccc(NC(=O)Oc2ccc(SC)c(C)c2)cc1 ZINC000000400451 563250980 /nfs/dbraw/zinc/25/09/80/563250980.db2.gz PQIHKKZEHUWELZ-UHFFFAOYSA-N 0 0 317.410 4.727 50 0 DJAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000000405232 563251345 /nfs/dbraw/zinc/25/13/45/563251345.db2.gz BXKWVPUKUFBGBS-ZDUSSCGKSA-N 0 0 309.796 4.984 50 0 DJAARN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Br ZINC000000406658 563251488 /nfs/dbraw/zinc/25/14/88/563251488.db2.gz UNGNWWPNJHLENX-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000000434111 563253323 /nfs/dbraw/zinc/25/33/23/563253323.db2.gz GMSIGFKQCYSPGQ-UHFFFAOYSA-N 0 0 314.772 4.723 50 0 DJAARN Cc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)c(C)c1 ZINC000000434038 563253404 /nfs/dbraw/zinc/25/34/04/563253404.db2.gz ZZIGJBIPMKNMQL-UHFFFAOYSA-N 0 0 318.420 4.657 50 0 DJAARN Cc1cc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C)c1 ZINC000000442584 563254664 /nfs/dbraw/zinc/25/46/64/563254664.db2.gz SHDBKVQBZHBTGP-AWEZNQCLSA-N 0 0 317.816 4.671 50 0 DJAARN Cc1cccc(NC(=O)CSCc2ccccc2Cl)c1 ZINC000000443993 563254881 /nfs/dbraw/zinc/25/48/81/563254881.db2.gz QPTPPFWVFHWKJO-UHFFFAOYSA-N 0 0 305.830 4.520 50 0 DJAARN Cc1ccccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000000443752 563255199 /nfs/dbraw/zinc/25/51/99/563255199.db2.gz LHTYPTFFMTWGIE-UHFFFAOYSA-N 0 0 305.830 4.520 50 0 DJAARN CCc1ccccc1NC(=O)CSCc1ccccc1Cl ZINC000000450083 563256071 /nfs/dbraw/zinc/25/60/71/563256071.db2.gz QZSWKEONTWXWAB-UHFFFAOYSA-N 0 0 319.857 4.774 50 0 DJAARN O=C(NC1CCCCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000000451719 563256907 /nfs/dbraw/zinc/25/69/07/563256907.db2.gz ZIZDEJMYHUKYPB-UHFFFAOYSA-N 0 0 300.229 4.836 50 0 DJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C ZINC000000454314 563257267 /nfs/dbraw/zinc/25/72/67/563257267.db2.gz HJOGSHUFKQORLN-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN C=Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000000455025 563257361 /nfs/dbraw/zinc/25/73/61/563257361.db2.gz ZBHFXDNCECXTIO-UHFFFAOYSA-N 0 0 306.361 4.632 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1Cl ZINC000000454397 563257436 /nfs/dbraw/zinc/25/74/36/563257436.db2.gz XVEMBLAVEKSZBG-CYBMUJFWSA-N 0 0 319.857 4.909 50 0 DJAARN Cc1ccc(C(=O)Nc2ccccc2Br)c(Cl)c1 ZINC000000458035 563257919 /nfs/dbraw/zinc/25/79/19/563257919.db2.gz YMTDWDLGGZAOPW-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2)c(Cl)c1 ZINC000000458280 563257971 /nfs/dbraw/zinc/25/79/71/563257971.db2.gz XUXBUAIRCMHMKN-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000460309 563258407 /nfs/dbraw/zinc/25/84/07/563258407.db2.gz MQVQNUKFUHUXKH-SNVBAGLBSA-N 0 0 309.793 4.598 50 0 DJAARN Cc1cc(C(=O)OCc2ccccc2Cl)c2ccccc2n1 ZINC000000458989 563258431 /nfs/dbraw/zinc/25/84/31/563258431.db2.gz OYQURBINKIYRKI-UHFFFAOYSA-N 0 0 311.768 4.554 50 0 DJAARN 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O=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000472164 563261343 /nfs/dbraw/zinc/26/13/43/563261343.db2.gz RLYWJGWIGBGREY-UHFFFAOYSA-N 0 0 321.351 4.799 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000000475597 563261727 /nfs/dbraw/zinc/26/17/27/563261727.db2.gz ILTLOOJAQDFPHO-VMPITWQZSA-N 0 0 322.191 4.654 50 0 DJAARN Clc1ccc2c(c1)nccc2NNc1ccccc1Cl ZINC000000480164 563262346 /nfs/dbraw/zinc/26/23/46/563262346.db2.gz UWRYLGYJKFMIPF-UHFFFAOYSA-N 0 0 304.180 4.981 50 0 DJAARN COc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000483126 563262951 /nfs/dbraw/zinc/26/29/51/563262951.db2.gz OKDFWJZYYRZVHX-UHFFFAOYSA-N 0 0 315.457 4.803 50 0 DJAARN O=C(Nc1ccccc1)[C@H]1CCCCCCCCCCC1=O ZINC000000481709 563263003 /nfs/dbraw/zinc/26/30/03/563263003.db2.gz DYYACTDVIFENGZ-KRWDZBQOSA-N 0 0 301.430 4.725 50 0 DJAARN Cn1c(SCc2cccc3ccccc32)nnc1-c1ccco1 ZINC000000530471 563264607 /nfs/dbraw/zinc/26/46/07/563264607.db2.gz CEKDQGJKJXMXCT-UHFFFAOYSA-N 0 0 321.405 4.521 50 0 DJAARN CCC(CC)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000524624 563264886 /nfs/dbraw/zinc/26/48/86/563264886.db2.gz HVBSLAWZAPEVPP-UHFFFAOYSA-N 0 0 318.420 4.820 50 0 DJAARN CCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1 ZINC000000540870 563265201 /nfs/dbraw/zinc/26/52/01/563265201.db2.gz BMDBYIFXZBCANB-UHFFFAOYSA-N 0 0 324.449 4.938 50 0 DJAARN Cc1nc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)cs1 ZINC000000562780 563266727 /nfs/dbraw/zinc/26/67/27/563266727.db2.gz HKANNUDPAAVEME-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN O=C(OCc1ccccc1Cl)c1ccc2ccccc2c1O ZINC000000566935 563267344 /nfs/dbraw/zinc/26/73/44/563267344.db2.gz WJGXCFDKJNXBRB-UHFFFAOYSA-N 0 0 312.752 4.556 50 0 DJAARN S=C(NCc1cccs1)Nc1cccc(Cl)c1Cl ZINC000000610130 563269011 /nfs/dbraw/zinc/26/90/11/563269011.db2.gz FUYDIKBGHBWZAE-UHFFFAOYSA-N 0 0 317.266 4.542 50 0 DJAARN COc1ccc(-c2csc(Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000000613243 563269399 /nfs/dbraw/zinc/26/93/99/563269399.db2.gz NVDLCDUSUUGZOY-UHFFFAOYSA-N 0 0 324.405 4.765 50 0 DJAARN FC(F)(F)c1cccc(Nc2nc(-c3ccncc3)cs2)c1 ZINC000000613406 563269405 /nfs/dbraw/zinc/26/94/05/563269405.db2.gz LTQINICKNQHDSP-UHFFFAOYSA-N 0 0 321.327 4.968 50 0 DJAARN O=C(NCc1ccc(Cl)cc1)c1ccccc1-c1ccccc1 ZINC000000618116 563270601 /nfs/dbraw/zinc/27/06/01/563270601.db2.gz IINBGSAHQGQQJC-UHFFFAOYSA-N 0 0 321.807 4.937 50 0 DJAARN CCc1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000000859159 563272418 /nfs/dbraw/zinc/27/24/18/563272418.db2.gz BMUGYVWGXUDVOF-UHFFFAOYSA-N 0 0 311.425 4.564 50 0 DJAARN O[C@@H](C[C@H](Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000000977147 563272833 /nfs/dbraw/zinc/27/28/33/563272833.db2.gz UTTCNVQWHANTRK-SFTDATJTSA-N 0 0 303.405 4.964 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000000999956 563273986 /nfs/dbraw/zinc/27/39/86/563273986.db2.gz CUILVPGDLGSLFT-MRXNPFEDSA-N 0 0 300.789 4.539 50 0 aggregator DJAARN Cc1ccc(NC(=O)COc2ccccc2C(C)C)cc1Cl ZINC000001003762 563273997 /nfs/dbraw/zinc/27/39/97/563273997.db2.gz UDLJMRQZPXIIMX-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 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CC(C)(C)NC(=O)[C@@]1(C)CC2c3ccccc3C1c1ccccc12 ZINC000001192033 563279517 /nfs/dbraw/zinc/27/95/17/563279517.db2.gz WCKVXWODKRHHPS-AJTFCVKESA-N 0 0 319.448 4.589 50 0 DJAARN Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001230507 563279999 /nfs/dbraw/zinc/27/99/99/563279999.db2.gz UGHSNYACOXBNJJ-UHFFFAOYSA-N 0 0 315.416 4.838 50 0 DJAARN Cc1cc(C)c(Cc2c(C)cc(C)c(C=O)c2C)c(C)c1C=O ZINC000001233091 563280288 /nfs/dbraw/zinc/28/02/88/563280288.db2.gz ALCHSTYQJNTZBA-UHFFFAOYSA-N 0 0 308.421 4.753 50 0 DJAARN CC(=O)c1sc2nc(-c3cccc(C)c3)c3c(c2c1N)CCC3 ZINC000001390272 563282192 /nfs/dbraw/zinc/28/21/92/563282192.db2.gz KZVBFHRLEGKSEP-UHFFFAOYSA-N 0 0 322.433 4.545 50 0 DJAARN CSc1cccc(NC(=O)COc2cccc3ccccc32)c1 ZINC000001470225 563284089 /nfs/dbraw/zinc/28/40/89/563284089.db2.gz GVONYFSGKXCRMJ-UHFFFAOYSA-N 0 0 323.417 4.579 50 0 DJAARN O[C@@H](Cc1ccnc2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000001494981 563284856 /nfs/dbraw/zinc/28/48/56/563284856.db2.gz CKXRKWAKMIHZSV-KRWDZBQOSA-N 0 0 317.310 4.530 50 0 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CC[C@@H](C)Nc1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn21 ZINC000002236629 563302263 /nfs/dbraw/zinc/30/22/63/563302263.db2.gz UTXBIYKQQJHIRX-CQSZACIVSA-N 0 0 322.456 4.904 50 0 DJAARN Cc1c(C)c(=O)oc2cc(OC/C=C/c3ccccc3)ccc12 ZINC000002356842 563302984 /nfs/dbraw/zinc/30/29/84/563302984.db2.gz JSZCZPUJFPDZEI-RMKNXTFCSA-N 0 0 306.361 4.502 50 0 DJAARN O=C(c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000002378501 563303033 /nfs/dbraw/zinc/30/30/33/563303033.db2.gz RPYONPWJLGOFGD-UHFFFAOYSA-N 0 0 311.178 4.833 50 0 DJAARN Cc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1 ZINC000002460223 563303685 /nfs/dbraw/zinc/30/36/85/563303685.db2.gz JSGMNYRQZGOLNB-UHFFFAOYSA-N 0 0 315.323 4.595 50 0 DJAARN CCCCN(CC)C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002458955 563303721 /nfs/dbraw/zinc/30/37/21/563303721.db2.gz OQUUBCKVMLNFFH-UHFFFAOYSA-N 0 0 320.820 4.566 50 0 DJAARN Cc1ccc(C(=O)CCc2cccc(Br)c2)cc1C ZINC000002516717 563306567 /nfs/dbraw/zinc/30/65/67/563306567.db2.gz SZYYQGYBOJCZOC-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN 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Cc1nc(C)c(C(=O)Nc2ccc(Nc3ccccc3)cc2)s1 ZINC000032843952 563401636 /nfs/dbraw/zinc/40/16/36/563401636.db2.gz PGJQRUCRFHMMKA-UHFFFAOYSA-N 0 0 323.421 4.756 50 0 DJAARN CC(C)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000014877236 563403416 /nfs/dbraw/zinc/40/34/16/563403416.db2.gz KRVGGNWXJHYKNO-UHFFFAOYSA-N 0 0 322.433 4.615 50 0 DJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(C2CC2)on1 ZINC000032870589 563404694 /nfs/dbraw/zinc/40/46/94/563404694.db2.gz DAZLSNPGOXHJFD-UHFFFAOYSA-N 0 0 319.364 4.548 50 0 DJAARN Cc1c2cccc(C)c2oc1C[C@@H]1c2cc(C)ccc2NC1=O ZINC000015017489 563405604 /nfs/dbraw/zinc/40/56/04/563405604.db2.gz ZQJJMDRKMHBWJF-MRXNPFEDSA-N 0 0 305.377 4.636 50 0 DJAARN CCN1c2ccccc2[C@H](Cc2oc3ccc(F)cc3c2C)C1=O ZINC000015018040 563406333 /nfs/dbraw/zinc/40/63/33/563406333.db2.gz NESQVUSTSDAFDA-INIZCTEOSA-N 0 0 323.367 4.573 50 0 DJAARN O=C(c1cccc(Cl)c1Cl)N1CCC[C@H]1c1ccccc1 ZINC000032883766 563407687 /nfs/dbraw/zinc/40/76/87/563407687.db2.gz UWMWPXJDHBUHHO-HNNXBMFYSA-N 0 0 320.219 4.971 50 0 DJAARN Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000032905303 563410330 /nfs/dbraw/zinc/41/03/30/563410330.db2.gz YGLZEZISAFASMJ-KRWDZBQOSA-N 0 0 323.367 4.640 50 0 DJAARN Cc1ccc(N2C(=O)c3cccc4c(Cl)ccc(c43)C2=O)cc1 ZINC000000192520 563412622 /nfs/dbraw/zinc/41/26/22/563412622.db2.gz NBONNPLYVRJNRN-UHFFFAOYSA-N 0 0 321.763 4.602 50 0 DJAARN Cc1cc(-c2n[nH]c(=S)n2[C@H](C)c2ccccc2)cs1 ZINC000017030732 563413629 /nfs/dbraw/zinc/41/36/29/563413629.db2.gz AOTVAHDIKAJGTF-LLVKDONJSA-N 0 0 301.440 4.587 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(F)cc(F)c1 ZINC000010666371 563415941 /nfs/dbraw/zinc/41/59/41/563415941.db2.gz SCWRWEVGZGXERT-UHFFFAOYSA-N 0 0 324.330 4.588 50 0 DJAARN c1cc([C@H]2CCCN2Cc2nc3ccccc3s2)cs1 ZINC000048235985 563417759 /nfs/dbraw/zinc/41/77/59/563417759.db2.gz BZBDEWXNCHNBHG-CQSZACIVSA-N 0 0 300.452 4.695 50 0 DJAARN CCCCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010691844 563417862 /nfs/dbraw/zinc/41/78/62/563417862.db2.gz KIHLWBQUZWHCTM-SFHVURJKSA-N 0 0 320.436 4.606 50 0 DJAARN C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(-c2ccccc2)cc1 ZINC000023200140 563419578 /nfs/dbraw/zinc/41/95/78/563419578.db2.gz ADTZXBQRGRUQHO-IAGOWNOFSA-N 0 0 305.421 4.887 50 0 DJAARN CC(=C/c1ccccc1)/C=C1\SC(=O)N(C2=CCCC=C2)C1=O ZINC000026779790 563426615 /nfs/dbraw/zinc/42/66/15/563426615.db2.gz IYEIRUBVTPLPMQ-PNKQLNASSA-N 0 0 323.417 4.903 50 0 DJAARN Cc1nc(-c2cccs2)c(NC(=O)c2ccc(C)cc2)s1 ZINC000026688318 563426723 /nfs/dbraw/zinc/42/67/23/563426723.db2.gz SCVOGIQOVUOWLZ-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN COc1cccc2cc([C@@H](C)Nc3nc4ccccc4o3)oc21 ZINC000026713168 563426749 /nfs/dbraw/zinc/42/67/49/563426749.db2.gz IMUSFIJWSKZUAP-LLVKDONJSA-N 0 0 308.337 4.756 50 0 DJAARN CCc1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 ZINC000027662296 563429383 /nfs/dbraw/zinc/42/93/83/563429383.db2.gz VEZSRCRLVBDSBE-UHFFFAOYSA-N 0 0 322.433 4.553 50 0 DJAARN CC(C)c1noc([C@H](C)N(C)Cc2ccc3ccccc3c2)n1 ZINC000027777426 563430240 /nfs/dbraw/zinc/43/02/40/563430240.db2.gz HCNJBVIUDANRHP-AWEZNQCLSA-N 0 0 309.413 4.539 50 0 DJAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH]c3=S)c1 ZINC000027986021 563430303 /nfs/dbraw/zinc/43/03/03/563430303.db2.gz BRTRHWKLZDAABR-UHFFFAOYSA-N 0 0 317.417 4.685 50 0 DJAARN O=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccco1)C1CC1 ZINC000029009930 563432690 /nfs/dbraw/zinc/43/26/90/563432690.db2.gz MHHGWFOFEOXLBP-UHFFFAOYSA-N 0 0 317.388 4.751 50 0 DJAARN Cc1oc(-c2cccs2)nc1CN1c2ccccc2C[C@@H]1C ZINC000011048777 563434023 /nfs/dbraw/zinc/43/40/23/563434023.db2.gz CCQCQSPHQFEPJS-LBPRGKRZSA-N 0 0 310.422 4.663 50 0 DJAARN CC(C)(C)[C@@H](/C=C\c1ccc(Cl)c(Cl)c1Cl)NC=O ZINC000034780545 563451275 /nfs/dbraw/zinc/45/12/75/563451275.db2.gz DGGKABXQVJYUBF-JPVGGKMYSA-N 0 0 320.647 4.821 50 0 DJAARN Cc1c2ccccc2oc1C(=O)Oc1cccc2ccc(C)nc21 ZINC000000273047 563447469 /nfs/dbraw/zinc/44/74/69/563447469.db2.gz UTBZEXQLUGTZSB-UHFFFAOYSA-N 0 0 317.344 4.817 50 0 DJAARN C[C@@H](CNC(=O)c1ccc(F)c2ccccc12)c1ccccc1 ZINC000000291452 563447473 /nfs/dbraw/zinc/44/74/73/563447473.db2.gz DGNGZJCEHLGQBQ-AWEZNQCLSA-N 0 0 307.368 4.512 50 0 DJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000000262365 563447628 /nfs/dbraw/zinc/44/76/28/563447628.db2.gz MJXZOBMBSFNPNP-UHFFFAOYSA-N 0 0 320.392 4.675 50 0 DJAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000000445143 563447670 /nfs/dbraw/zinc/44/76/70/563447670.db2.gz MYVVCYVTEYXQRH-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN CCCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000002494434 563449058 /nfs/dbraw/zinc/44/90/58/563449058.db2.gz ACQCVFCKCVJDPB-UHFFFAOYSA-N 0 0 303.214 4.936 50 0 DJAARN Cc1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2)o1 ZINC000035616410 563453324 /nfs/dbraw/zinc/45/33/24/563453324.db2.gz MLCHJBHTFVMIJG-UHFFFAOYSA-N 0 0 324.771 4.695 50 0 DJAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000036620409 563455802 /nfs/dbraw/zinc/45/58/02/563455802.db2.gz GCIWBRDLEAIZRO-GOSISDBHSA-N 0 0 312.388 4.757 50 0 DJAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000036620765 563455862 /nfs/dbraw/zinc/45/58/62/563455862.db2.gz SLROWHYREHWCQW-GOSISDBHSA-N 0 0 324.424 4.763 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1F ZINC000036620646 563455902 /nfs/dbraw/zinc/45/59/02/563455902.db2.gz ZRLQOUAYZQSVOM-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000036621176 563456612 /nfs/dbraw/zinc/45/66/12/563456612.db2.gz BDGISLVIDRPMCA-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1cccc(O[C@@H](C)C(=O)Oc2cccc3ccccc32)c1 ZINC000032980262 563457919 /nfs/dbraw/zinc/45/79/19/563457919.db2.gz VMQHZIJCCSLYKG-HNNXBMFYSA-N 0 0 306.361 4.521 50 0 DJAARN Nc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1 ZINC000038359802 563460010 /nfs/dbraw/zinc/46/00/10/563460010.db2.gz GQIAWKVNYAQJMJ-UHFFFAOYSA-N 0 0 302.786 4.838 50 0 DJAARN CC(C)c1cccc(NC(=S)N2CCCc3ccccc32)c1 ZINC000072332230 563471924 /nfs/dbraw/zinc/47/19/24/563471924.db2.gz MHUNFSSWMLYMRW-UHFFFAOYSA-N 0 0 310.466 4.960 50 0 DJAARN CC(=O)Nc1ccc(-c2csc(Nc3cccc(C)c3)n2)cc1 ZINC000004623142 563477249 /nfs/dbraw/zinc/47/72/49/563477249.db2.gz SIJXKWDMHOWAQB-UHFFFAOYSA-N 0 0 323.421 4.821 50 0 DJAARN O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(Cl)c1Cl ZINC000011203856 563481191 /nfs/dbraw/zinc/48/11/91/563481191.db2.gz FFFJVQVJFQSRBY-INIZCTEOSA-N 0 0 320.219 4.875 50 0 DJAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126084 563496999 /nfs/dbraw/zinc/49/69/99/563496999.db2.gz BWJVEEYOEFDIPI-GOSISDBHSA-N 0 0 322.452 4.595 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2cccnc2-c2cccs2)c1 ZINC000033139033 563497220 /nfs/dbraw/zinc/49/72/20/563497220.db2.gz QRMGDJBRDNLQBI-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCCCCC1 ZINC000033139631 563497602 /nfs/dbraw/zinc/49/76/02/563497602.db2.gz UOOFMSQSBZKKPE-UHFFFAOYSA-N 0 0 310.441 4.623 50 0 DJAARN Clc1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 ZINC000070238366 563497921 /nfs/dbraw/zinc/49/79/21/563497921.db2.gz NFSGFPCXDHZFDP-UHFFFAOYSA-N 0 0 307.578 4.646 50 0 DJAARN Fc1ccc(-c2cnn3c2nccc3-c2ccc(Cl)cc2)cc1 ZINC000071375652 563498782 /nfs/dbraw/zinc/49/87/82/563498782.db2.gz SLPUADQDCUDAST-UHFFFAOYSA-N 0 0 323.758 4.856 50 0 DJAARN O=C(Cc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000072093980 563502850 /nfs/dbraw/zinc/50/28/50/563502850.db2.gz CNYCTMSABQOAMP-UHFFFAOYSA-N 0 0 313.706 4.540 50 0 DJAARN O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccccc1 ZINC000000058035 563504438 /nfs/dbraw/zinc/50/44/38/563504438.db2.gz AABUKWVVUWBZCS-UHFFFAOYSA-N 0 0 314.340 4.833 50 0 DJAARN CC(C)N(C(=O)CO[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000097104853 563505322 /nfs/dbraw/zinc/50/53/22/563505322.db2.gz XUIKBIKDOYLQAT-HXUWFJFHSA-N 0 0 323.436 4.522 50 0 DJAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000041385 563508121 /nfs/dbraw/zinc/50/81/21/563508121.db2.gz ITQQXEQFJGRRTC-JQWIXIFHSA-N 0 0 318.631 4.870 50 0 DJAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000000041190 563508224 /nfs/dbraw/zinc/50/82/24/563508224.db2.gz MMVCXRKCPPREIR-UHFFFAOYSA-N 0 0 312.221 4.724 50 0 DJAARN O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc21 ZINC000078502837 563513235 /nfs/dbraw/zinc/51/32/35/563513235.db2.gz RQXKDQXFKDWNPG-FQEVSTJZSA-N 0 0 316.356 4.766 50 0 DJAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1C(C)C)C2 ZINC000011368709 563522531 /nfs/dbraw/zinc/52/25/31/563522531.db2.gz XJCVAGNNNKGIJW-SFHVURJKSA-N 0 0 311.450 4.774 50 0 DJAARN O=C(Nc1ccc2ccccc2c1)C1C2CC3CC(C2)CC1C3 ZINC000098087196 563524855 /nfs/dbraw/zinc/52/48/55/563524855.db2.gz UYBZFPRPPDUVRH-UHFFFAOYSA-N 0 0 305.421 4.851 50 0 DJAARN Fc1cc(F)c(Cl)c(OC(Cl)(Cl)Cl)c1Cl ZINC000095215505 563528986 /nfs/dbraw/zinc/52/89/86/563528986.db2.gz DWUPSNPMAVSBAJ-UHFFFAOYSA-N 0 0 316.345 4.978 50 0 DJAARN Clc1ccc(OC(Cl)(Cl)Cl)cc1Br ZINC000095215655 563529076 /nfs/dbraw/zinc/52/90/76/563529076.db2.gz BPUIPEMRKWPEOC-UHFFFAOYSA-N 0 0 324.816 4.809 50 0 DJAARN Clc1cc(Br)ccc1OC(Cl)(Cl)Cl ZINC000095215436 563529084 /nfs/dbraw/zinc/52/90/84/563529084.db2.gz RATOLGXJPGXBKT-UHFFFAOYSA-N 0 0 324.816 4.809 50 0 DJAARN COc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)(C)C=C2C ZINC000095115709 563529130 /nfs/dbraw/zinc/52/91/30/563529130.db2.gz LRXJKQPGZXUDEA-UHFFFAOYSA-N 0 0 307.393 4.538 50 0 DJAARN C[C@@H](NC(=O)NCCC1=CCCCC1)c1cc2ccccc2o1 ZINC000011607478 563537559 /nfs/dbraw/zinc/53/75/59/563537559.db2.gz XVFQOSNUZMMLLP-CQSZACIVSA-N 0 0 312.413 4.684 50 0 DJAARN O=C(Nc1coc2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000000098966 563538468 /nfs/dbraw/zinc/53/84/68/563538468.db2.gz XCHSAKSACZDRTL-UHFFFAOYSA-N 0 0 305.255 4.704 50 0 DJAARN Cc1ccc2c(c1)[C@H](Cc1ccc(OC3CCCC3)cc1)C(=O)N2 ZINC000101016561 563555542 /nfs/dbraw/zinc/55/55/42/563555542.db2.gz QVUIBVTXVXYODF-IBGZPJMESA-N 0 0 321.420 4.595 50 0 DJAARN Cc1ccc(NC=C2Sc3cc(Cl)ccc3NC2=O)cc1 ZINC000100142776 563565998 /nfs/dbraw/zinc/56/59/98/563565998.db2.gz LDEFAVDNGBVCDV-OQLLNIDSSA-N 0 0 316.813 4.646 50 0 DJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000000132013 563572136 /nfs/dbraw/zinc/57/21/36/563572136.db2.gz NVYONEJWQIFYHE-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CC(C)c1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 ZINC000000192144 563577260 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C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 ZINC000001423490 563822880 /nfs/dbraw/zinc/82/28/80/563822880.db2.gz PZBZJZWLAKMMIH-OAHLLOKOSA-N 0 0 317.388 4.550 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)ns2)c(C)c1 ZINC000084133455 563823590 /nfs/dbraw/zinc/82/35/90/563823590.db2.gz WWRZWDNTJITCMM-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4)cc3c2C1 ZINC000012757109 563825159 /nfs/dbraw/zinc/82/51/59/563825159.db2.gz IYIIYJKGWDHISW-ZDUSSCGKSA-N 0 0 304.393 4.545 50 0 DJAARN Fc1cccc(CN(Cc2ccco2)Cc2ccccc2)c1F ZINC000084535706 563827514 /nfs/dbraw/zinc/82/75/14/563827514.db2.gz SPPAGKSRFFXSRE-UHFFFAOYSA-N 0 0 313.347 4.760 50 0 DJAARN C[C@H](NC(=S)N1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000084656606 563828837 /nfs/dbraw/zinc/82/88/37/563828837.db2.gz YYDWGKLABCWICM-ZFWWWQNUSA-N 0 0 316.495 4.521 50 0 DJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CC1(Cl)Cl ZINC000012779835 563829994 /nfs/dbraw/zinc/82/99/94/563829994.db2.gz VHMCJNVQXUGZEY-GFCCVEGCSA-N 0 0 322.191 4.611 50 0 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4.921 50 0 DJAARN O=C1OC(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1 ZINC000100810516 563848438 /nfs/dbraw/zinc/84/84/38/563848438.db2.gz VOVDJMDRGHNHQX-HXUWFJFHSA-N 0 0 312.368 4.896 50 0 DJAARN CC(C)(C)[C@@H]1CC[C@]2(C)[C@H](C1)C2(Br)Br ZINC000071785767 563848784 /nfs/dbraw/zinc/84/87/84/563848784.db2.gz JCQRELBEFVRAHG-WCABBAIRSA-N 0 0 324.100 4.955 50 0 DJAARN COC(=O)[C@]1([Si](C)(C)C)CC1(c1ccccc1)c1ccccc1 ZINC000169828988 563849568 /nfs/dbraw/zinc/84/95/68/563849568.db2.gz GBDUOLOSXSHAOW-HXUWFJFHSA-N 0 0 324.496 4.628 50 0 DJAARN CCc1sc(C(=O)N2CC=C(c3ccccc3)CC2)cc1C ZINC000012917283 563853726 /nfs/dbraw/zinc/85/37/26/563853726.db2.gz SAUWAVAYNCFPTD-UHFFFAOYSA-N 0 0 311.450 4.548 50 0 DJAARN CN(C(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000012914352 563853890 /nfs/dbraw/zinc/85/38/90/563853890.db2.gz DGUKXZUUXJUZCP-UHFFFAOYSA-N 0 0 303.361 4.756 50 0 DJAARN CCCc1cc(-c2nnc(-c3ccccc3F)o2)sc1C ZINC000012915089 563853956 /nfs/dbraw/zinc/85/39/56/563853956.db2.gz QCMMUVYPBWVXCB-UHFFFAOYSA-N 0 0 302.374 4.865 50 0 DJAARN C[C@@H](c1ccccc1)N(C)C(=O)CCCc1c[nH]c2ccccc12 ZINC000012937091 563857623 /nfs/dbraw/zinc/85/76/23/563857623.db2.gz NEHAVVNTHIVRBV-INIZCTEOSA-N 0 0 320.436 4.710 50 0 DJAARN C[C@H]1CCC[C@H](c2ccccc2)N1C(=O)Cc1ccccc1F ZINC000075109289 563860327 /nfs/dbraw/zinc/86/03/27/563860327.db2.gz NJKLTPXVMFEMBV-HNAYVOBHSA-N 0 0 311.400 4.511 50 0 DJAARN COc1ccc(C(=O)CNc2ccc(-c3ccccc3)cc2)cc1 ZINC000075260772 563862224 /nfs/dbraw/zinc/86/22/24/563862224.db2.gz WYXPIDIUMJHXJL-UHFFFAOYSA-N 0 0 317.388 4.657 50 0 DJAARN O=C(Nc1ccccc1)n1cc(-c2ccncc2)c2ccccc21 ZINC000075261087 563862416 /nfs/dbraw/zinc/86/24/16/563862416.db2.gz LQKJCWDMYIOEBN-UHFFFAOYSA-N 0 0 313.360 4.784 50 0 DJAARN Cc1ccccc1NC(=O)NCc1ccc(-c2ccsc2)o1 ZINC000575611046 563865811 /nfs/dbraw/zinc/86/58/11/563865811.db2.gz TXMVXYRPCJHPJC-UHFFFAOYSA-N 0 0 312.394 4.638 50 0 DJAARN O=C1c2ccccc2CCC[C@]12N=NC[C@H]2c1ccc(Cl)cc1 ZINC000006243426 563866611 /nfs/dbraw/zinc/86/66/11/563866611.db2.gz AKOXLADCSNZXKU-PKOBYXMFSA-N 0 0 324.811 4.847 50 0 DJAARN c1ccc(-c2noc3c2ncnc3NCCC2=CCCCC2)cc1 ZINC000035478674 563867632 /nfs/dbraw/zinc/86/76/32/563867632.db2.gz CGYQCFCALLTYTC-UHFFFAOYSA-N 0 0 320.396 4.587 50 0 DJAARN O=C(C[C@@H](c1ccccc1)[C@@H]1CCCCC1=O)c1ccccc1 ZINC000001232014 563870261 /nfs/dbraw/zinc/87/02/61/563870261.db2.gz BHWABVQSIIDAON-OALUTQOASA-N 0 0 306.405 4.803 50 0 DJAARN O=C(C[C@@H](c1ccccc1)[C@H]1CCCCC1=O)c1ccccc1 ZINC000001232012 563870570 /nfs/dbraw/zinc/87/05/70/563870570.db2.gz BHWABVQSIIDAON-MOPGFXCFSA-N 0 0 306.405 4.803 50 0 DJAARN CCc1ccc(NC(=O)c2c(C)onc2-c2cccc(F)c2)cc1 ZINC000035536506 563872466 /nfs/dbraw/zinc/87/24/66/563872466.db2.gz MEGBUPIKIBWVBQ-UHFFFAOYSA-N 0 0 324.355 4.604 50 0 DJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cccc(C)c1C ZINC000035536500 563872470 /nfs/dbraw/zinc/87/24/70/563872470.db2.gz UYTYNVXINPTTQG-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000035671921 563873842 /nfs/dbraw/zinc/87/38/42/563873842.db2.gz NYWYLVHUKGTBMQ-UHFFFAOYSA-N 0 0 320.392 4.828 50 0 DJAARN O=C(Nc1ccccc1SCC(F)(F)F)c1ccsc1 ZINC000013004221 563875115 /nfs/dbraw/zinc/87/51/15/563875115.db2.gz KGCCXZDJWXHNCG-UHFFFAOYSA-N 0 0 317.357 4.655 50 0 DJAARN CC(C)CCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000013006965 563875582 /nfs/dbraw/zinc/87/55/82/563875582.db2.gz GUHAEAAYLFJIOS-UHFFFAOYSA-N 0 0 308.834 4.838 50 0 DJAARN COc1cccc2cc(C(=O)Nc3ccc(C)cc3Cl)oc21 ZINC000075483306 563876079 /nfs/dbraw/zinc/87/60/79/563876079.db2.gz POYDEDLWHXAUSI-UHFFFAOYSA-N 0 0 315.756 4.656 50 0 DJAARN Cc1ccc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000013024144 563876764 /nfs/dbraw/zinc/87/67/64/563876764.db2.gz GYCDELFPMXNDGD-INIZCTEOSA-N 0 0 318.420 4.709 50 0 DJAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCC)CCC3 ZINC000001750792 563877817 /nfs/dbraw/zinc/87/78/17/563877817.db2.gz QTQPOCUXZXONFF-UHFFFAOYSA-N 0 0 314.425 4.803 50 0 DJAARN CCCCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001778476 563877993 /nfs/dbraw/zinc/87/79/93/563877993.db2.gz AZKIPUYETGCTON-UHFFFAOYSA-N 0 0 312.438 4.624 50 0 DJAARN COc1ccccc1[C@@H]1Nc2ccc(C)cc2[C@H]2OCCC[C@H]12 ZINC000035360436 563878401 /nfs/dbraw/zinc/87/84/01/563878401.db2.gz HLNMUQIEQVLAPK-XPGWFJOJSA-N 0 0 309.409 4.638 50 0 DJAARN CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000002630641 563878818 /nfs/dbraw/zinc/87/88/18/563878818.db2.gz NPQJMWOSXAILBQ-UHFFFAOYSA-N 0 0 307.752 4.519 50 0 DJAARN CC1=C[C@@H](C)C2(COC([C@H]3[C@@H](C)C=C(C)C[C@@H]3C)OC2)[C@H](C)C1 ZINC000239287501 563879671 /nfs/dbraw/zinc/87/96/71/563879671.db2.gz CXAHWQODSLYXFB-MTQAAUTLSA-N 0 0 318.501 5.206 50 0 DJAARN CCCCCn1c2ccccc2nc1[C@@H](CCCC)NC(C)=O ZINC000001927003 563886129 /nfs/dbraw/zinc/88/61/29/563886129.db2.gz GJBAORMQCXCCHO-QGZVFWFLSA-N 0 0 315.461 4.594 50 0 DJAARN COc1ccc(C)cc1NCc1ccc(OC)c2ccccc12 ZINC000000263050 563886722 /nfs/dbraw/zinc/88/67/22/563886722.db2.gz QSAYMYFZECTIKD-UHFFFAOYSA-N 0 0 307.393 4.778 50 0 DJAARN CCC[C@@H]1CC[C@H](c2ccc(-c3ccc(CC)cn3)cc2)C[C@H]1C ZINC000239174333 563890258 /nfs/dbraw/zinc/89/02/58/563890258.db2.gz PTYQVHLQFUQIHE-JUXOCIIHSA-N 0 0 321.508 6.631 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2ccc(C)cc2)c2ccccc2S1 ZINC000006877002 563897973 /nfs/dbraw/zinc/89/79/73/563897973.db2.gz LIGFKJDLDORJQQ-HNNXBMFYSA-N 0 0 312.438 4.918 50 0 DJAARN CSc1ccc(CN(C)C(=O)c2ccc3ccccc3c2)cc1 ZINC000006881672 563898436 /nfs/dbraw/zinc/89/84/36/563898436.db2.gz UJZVUIXUETXLCA-UHFFFAOYSA-N 0 0 321.445 4.834 50 0 DJAARN C[C@@H](NC(=O)CCCc1cccs1)c1ccc(Cl)s1 ZINC000036394130 563898440 /nfs/dbraw/zinc/89/84/40/563898440.db2.gz XCRCMWXBNLMFMZ-SNVBAGLBSA-N 0 0 313.875 4.663 50 0 DJAARN C[C@@H](CC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000006886535 563898822 /nfs/dbraw/zinc/89/88/22/563898822.db2.gz GZAQRDLRBQSZIZ-NSHDSACASA-N 0 0 314.385 4.568 50 0 DJAARN CN(Cc1cccc(Cl)c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006935332 563900166 /nfs/dbraw/zinc/90/01/66/563900166.db2.gz SBTIDTGTQSREBA-UHFFFAOYSA-N 0 0 317.860 4.515 50 0 DJAARN CC[C@@H](C(=O)Nc1cc(-c2ccsc2)no1)c1ccccc1 ZINC000065153144 563900338 /nfs/dbraw/zinc/90/03/38/563900338.db2.gz NEZZRVZVSYIGIT-CQSZACIVSA-N 0 0 312.394 4.535 50 0 DJAARN CCOC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000036636053 563901866 /nfs/dbraw/zinc/90/18/66/563901866.db2.gz XYWYLURHNVBPJJ-UHFFFAOYSA-N 0 0 318.678 4.796 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253595507 563903077 /nfs/dbraw/zinc/90/30/77/563903077.db2.gz FITXSLSRWNHDLI-ZATBIGISSA-N 0 0 318.501 4.595 50 0 DJAARN Clc1ccc(-c2csc(=NNc3ccccc3)[nH]2)cc1 ZINC000007273413 563905157 /nfs/dbraw/zinc/90/51/57/563905157.db2.gz VARVXWWYYALCJW-UHFFFAOYSA-N 0 0 301.802 4.903 50 0 DJAARN CC(C)(C)c1cc(NC(=O)CC2=CCCCC2)n(C(C)(C)C)n1 ZINC000170622446 563908804 /nfs/dbraw/zinc/90/88/04/563908804.db2.gz YUHTXHRIIDIWOY-UHFFFAOYSA-N 0 0 317.477 4.765 50 0 DJAARN O=C(Nc1ccc2ncsc2c1)c1cc(Cl)ccc1Cl ZINC000010217225 563909343 /nfs/dbraw/zinc/90/93/43/563909343.db2.gz PFIJNNTWYYIAPU-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN CSc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000013320111 563909427 /nfs/dbraw/zinc/90/94/27/563909427.db2.gz IXFCXPJBVGOSGU-CQSZACIVSA-N 0 0 314.454 4.551 50 0 DJAARN CSc1cccc(NC(=O)N[C@H](C)c2ccc(C)cc2)c1 ZINC000013320040 563909539 /nfs/dbraw/zinc/90/95/39/563909539.db2.gz SPRCNTMFJWBEPJ-CYBMUJFWSA-N 0 0 300.427 4.600 50 0 DJAARN C[C@@H](NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000013791856 563910063 /nfs/dbraw/zinc/91/00/63/563910063.db2.gz YWQXKPBBVCDTFF-LLVKDONJSA-N 0 0 324.371 4.753 50 0 DJAARN O=C(Nc1ccccc1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014248288 563910429 /nfs/dbraw/zinc/91/04/29/563910429.db2.gz HISPBJYJBNPDDU-UHFFFAOYSA-N 0 0 307.324 4.870 50 0 DJAARN CC(C)c1ccccc1OCCOc1ccc(C=O)cc1Cl ZINC000002873774 563913103 /nfs/dbraw/zinc/91/31/03/563913103.db2.gz FXNXQOUXMVMHEF-UHFFFAOYSA-N 0 0 318.800 4.734 50 0 DJAARN CCCOc1ccccc1CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000002087513 563913713 /nfs/dbraw/zinc/91/37/13/563913713.db2.gz CXMQRCPGLWUBHZ-HXUWFJFHSA-N 0 0 324.468 4.640 50 0 biogenic DJAARN Cc1ccc(C)c(NC(=O)COc2c(Cl)cccc2Cl)c1 ZINC000002759817 563914033 /nfs/dbraw/zinc/91/40/33/563914033.db2.gz QWVXISIWIODYPD-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CCCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000002119141 563914589 /nfs/dbraw/zinc/91/45/89/563914589.db2.gz BRUBSSKMCMFYCC-NRFANRHFSA-N 0 0 324.468 4.988 50 0 biogenic DJAARN CCCCCC[C@@H]1OC[C@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@@H]2C ZINC000002139358 563915529 /nfs/dbraw/zinc/91/55/29/563915529.db2.gz AJARVPVQKHTUGJ-CZKCSJLSSA-N 0 0 322.489 4.753 50 0 biogenic DJAARN CC(C)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1C=O ZINC000003091268 563915768 /nfs/dbraw/zinc/91/57/68/563915768.db2.gz NANFTAXXIDYYNW-UHFFFAOYSA-N 0 0 308.356 4.614 50 0 DJAARN c1ccc2c(c1)CCCC[C@H]2Sc1nnc(-c2ccncc2)o1 ZINC000170650859 563916932 /nfs/dbraw/zinc/91/69/32/563916932.db2.gz ARGKIZJLBHWEQP-MRXNPFEDSA-N 0 0 323.421 4.691 50 0 DJAARN COc1ccccc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000007609907 563917174 /nfs/dbraw/zinc/91/71/74/563917174.db2.gz STOKBTRBIBUOFL-QGZVFWFLSA-N 0 0 317.816 4.727 50 0 DJAARN Cc1cc2nc(-c3cc4cc(Cl)ccc4oc3=O)[nH]c2cc1C ZINC000007602764 563917194 /nfs/dbraw/zinc/91/71/94/563917194.db2.gz CVYXHKGIHJLAIN-UHFFFAOYSA-N 0 0 324.767 4.607 50 0 DJAARN CCCCSc1nc2ccc(NC(=O)CCC)cc2s1 ZINC000002195641 563917210 /nfs/dbraw/zinc/91/72/10/563917210.db2.gz GOBKVAWXCGQGDM-UHFFFAOYSA-N 0 0 308.472 4.927 50 0 DJAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(F)cc1 ZINC000007638499 563917516 /nfs/dbraw/zinc/91/75/16/563917516.db2.gz TZEXJWHTUALCQF-UHFFFAOYSA-N 0 0 319.335 4.906 50 0 DJAARN CC[C@H](C)Nc1cc(C(C)C)nc2c(-c3ccccc3)cnn21 ZINC000007636177 563917548 /nfs/dbraw/zinc/91/75/48/563917548.db2.gz ULDXZHHLYUTNAB-AWEZNQCLSA-N 0 0 308.429 4.730 50 0 DJAARN CCNC(=S)Nc1cc(Cl)ccc1Sc1ccccc1 ZINC000007642868 563917659 /nfs/dbraw/zinc/91/76/59/563917659.db2.gz YZUNGMCDUPYCOY-UHFFFAOYSA-N 0 0 322.886 4.798 50 0 DJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(Cl)c1 ZINC000007684048 563917860 /nfs/dbraw/zinc/91/78/60/563917860.db2.gz ZXQWSEBEXMKGIQ-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN CCCCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007688735 563917890 /nfs/dbraw/zinc/91/78/90/563917890.db2.gz AXCVHEDMDWYQSG-UHFFFAOYSA-N 0 0 310.369 4.607 50 0 DJAARN O=C(CC1CCCC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007737501 563918623 /nfs/dbraw/zinc/91/86/23/563918623.db2.gz HAARWVVOJBAMBU-SFHVURJKSA-N 0 0 317.429 4.673 50 0 DJAARN CCN(CC)c1ccc(NC(=S)Nc2cccc(C)c2)cc1 ZINC000007738000 563918655 /nfs/dbraw/zinc/91/86/55/563918655.db2.gz XEOHTORTAPTPTN-UHFFFAOYSA-N 0 0 313.470 4.650 50 0 DJAARN CCC[C@@H](C(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000007767034 563918988 /nfs/dbraw/zinc/91/89/88/563918988.db2.gz YVHXGVZYAHDEFJ-CQSZACIVSA-N 0 0 310.422 4.819 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]21CS1 ZINC000252693384 563920430 /nfs/dbraw/zinc/92/04/30/563920430.db2.gz DBMAUQKFWFYPTE-QMNUTNMBSA-N 0 0 318.526 4.796 50 0 biogenic DJAARN CCCCCC(=Cc1ccccc1)C=C1SC(=S)NC1=O ZINC000011285195 563920559 /nfs/dbraw/zinc/92/05/59/563920559.db2.gz MVZIFKYZRJJMQI-ADBGAXBCSA-N 0 0 317.479 4.682 50 0 DJAARN Cc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000003107718 563920809 /nfs/dbraw/zinc/92/08/09/563920809.db2.gz AAPZVQNWXHSHFQ-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN O=C1NC(=S)SC1=Cc1cccc(Oc2ccccc2)c1 ZINC000002536904 563924858 /nfs/dbraw/zinc/92/48/58/563924858.db2.gz SKRSSNZOVQMETG-GXDHUFHOSA-N 0 0 313.403 4.808 50 0 DJAARN CCCCc1c(C)nc2ccc(C(=O)OCC)cc2c1Cl ZINC000002289751 563924960 /nfs/dbraw/zinc/92/49/60/563924960.db2.gz PKFCSGYNGBUYOB-UHFFFAOYSA-N 0 0 305.805 4.716 50 0 DJAARN Cc1cc(C(C)(C)C)c(=O)c(C(C)(C)C)cc1Br ZINC000002357382 563927232 /nfs/dbraw/zinc/92/72/32/563927232.db2.gz OXWSDTDZJWBNTB-UHFFFAOYSA-N 0 0 311.263 4.713 50 0 DJAARN CCOc1ccc/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c21 ZINC000012658271 563928843 /nfs/dbraw/zinc/92/88/43/563928843.db2.gz KEHBIVZDJUBBTC-HEHNFIMWSA-N 0 0 323.392 4.689 50 0 biogenic DJAARN Cc1ccccc1-c1nnc(CC23CC4CC(CC(C4)C2)C3)o1 ZINC000020177997 563931000 /nfs/dbraw/zinc/93/10/00/563931000.db2.gz ITPUYHDCLZRGER-UHFFFAOYSA-N 0 0 308.425 4.804 50 0 DJAARN C[C@@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(C)(C)C ZINC000095958728 563932300 /nfs/dbraw/zinc/93/23/00/563932300.db2.gz RBJGIWVBFVKJSF-CHWSQXEVSA-N 0 0 302.418 4.570 50 0 DJAARN Cc1ncc(CNc2ccccc2N(C)Cc2ccccc2)s1 ZINC000095961835 563932599 /nfs/dbraw/zinc/93/25/99/563932599.db2.gz WZRXYCWFCOAPMY-UHFFFAOYSA-N 0 0 323.465 4.700 50 0 DJAARN CCC[C@@H]([NH2+][C@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095967625 563932995 /nfs/dbraw/zinc/93/29/95/563932995.db2.gz HKKOZOWBWMGYMS-IUODEOHRSA-N 0 0 323.362 4.687 50 0 DJAARN CCc1nc([C@@H](C)N[C@H](C)c2ccc3ccccc3n2)cs1 ZINC000095967893 563933081 /nfs/dbraw/zinc/93/30/81/563933081.db2.gz KCGSWKWDJQYKFK-CHWSQXEVSA-N 0 0 311.454 4.666 50 0 DJAARN CC(C)c1cc(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)on1 ZINC000095968043 563933105 /nfs/dbraw/zinc/93/31/05/563933105.db2.gz SASZBADDPSKKHW-JTQLQIEISA-N 0 0 313.228 4.956 50 0 DJAARN C[C@H](Nc1nnc(C(F)F)s1)c1ccc(Cl)c(Cl)c1 ZINC000095971848 563933426 /nfs/dbraw/zinc/93/34/26/563933426.db2.gz HDOOHFJWIQCWSF-YFKPBYRVSA-N 0 0 324.183 4.956 50 0 DJAARN COCc1cccc(NCc2cccc(-c3cccnc3)c2)c1 ZINC000095971358 563933496 /nfs/dbraw/zinc/93/34/96/563933496.db2.gz DERHOJXGJWFHIA-UHFFFAOYSA-N 0 0 304.393 4.507 50 0 DJAARN O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1 ZINC000096122945 563935622 /nfs/dbraw/zinc/93/56/22/563935622.db2.gz DHMQVRGHACIGDV-UHFFFAOYSA-N 0 0 308.406 4.737 50 0 DJAARN O=C(c1ccc(Oc2ccccc2Cl)o1)N1CCCCCC1 ZINC000096182541 563935869 /nfs/dbraw/zinc/93/58/69/563935869.db2.gz IGLICYNMBIGVOD-UHFFFAOYSA-N 0 0 319.788 4.742 50 0 DJAARN Cc1ccc2nc(-c3ccco3)nc(NC3CCCCC3)c2c1 ZINC000096289548 563936104 /nfs/dbraw/zinc/93/61/04/563936104.db2.gz BVVARVHXSFWRRI-UHFFFAOYSA-N 0 0 307.397 4.943 50 0 DJAARN C(=C\c1ccccc1)\CSc1nnc2sc3ccccc3n12 ZINC000096305057 563936357 /nfs/dbraw/zinc/93/63/57/563936357.db2.gz NGXMSYMFBLJYTG-TWGQIWQCSA-N 0 0 323.446 4.750 50 0 DJAARN O=C(/C=C\c1cccc2cccnc12)OC/C=C/c1ccccc1 ZINC000096401461 563936618 /nfs/dbraw/zinc/93/66/18/563936618.db2.gz CMJHFVPVMFRMFB-RAMMHOGMSA-N 0 0 315.372 4.505 50 0 DJAARN Cc1sc(=O)n(C/C=C\c2ccccc2)c1-c1ccccc1 ZINC000096402140 563936713 /nfs/dbraw/zinc/93/67/13/563936713.db2.gz SHTISFDBJDWQJR-FLIBITNWSA-N 0 0 307.418 4.599 50 0 DJAARN CC(C)c1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000002471979 563938023 /nfs/dbraw/zinc/93/80/23/563938023.db2.gz BNGZETRVRNXJIF-RBUKOAKNSA-N 0 0 318.424 4.548 50 0 DJAARN Cc1ccccc1NC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000002532723 563938683 /nfs/dbraw/zinc/93/86/83/563938683.db2.gz JZAJQYCFMCPWSJ-UHFFFAOYSA-N 0 0 324.371 4.500 50 0 DJAARN C[C@H](Nc1ccc(-c2ccccc2)cc1)c1nc(C2CC2)no1 ZINC000056142951 563939497 /nfs/dbraw/zinc/93/94/97/563939497.db2.gz LUWNBXZOPOXXOC-ZDUSSCGKSA-N 0 0 305.381 4.787 50 0 DJAARN CCc1cccc(CC)c1NC(=O)c1ccc2ncsc2c1 ZINC000002627405 563939809 /nfs/dbraw/zinc/93/98/09/563939809.db2.gz PDYDZWPSWSYCIC-UHFFFAOYSA-N 0 0 310.422 4.673 50 0 DJAARN COc1ccc(NC(=S)Nc2ccc(C)c(C)c2)cc1Cl ZINC000002643127 563940021 /nfs/dbraw/zinc/94/00/21/563940021.db2.gz BTIPPSRWOKYQGG-UHFFFAOYSA-N 0 0 320.845 4.774 50 0 DJAARN Cc1cc(C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1 ZINC000002726287 563940412 /nfs/dbraw/zinc/94/04/12/563940412.db2.gz BRUZMBCMIOXDKS-UHFFFAOYSA-N 0 0 312.372 4.949 50 0 DJAARN CCn1nc(C)c2c1nc(-c1ccc(C)s1)cc2C(F)F ZINC000002732310 563940516 /nfs/dbraw/zinc/94/05/16/563940516.db2.gz CGRPLBBKPDTSSC-UHFFFAOYSA-N 0 0 307.369 4.734 50 0 DJAARN Cc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1 ZINC000002741266 563940566 /nfs/dbraw/zinc/94/05/66/563940566.db2.gz CQYFSQGUWOSBIS-UHFFFAOYSA-N 0 0 313.351 4.759 50 0 DJAARN COc1ccccc1-c1noc(-c2ccccc2OC)c1Cl ZINC000002733586 563940577 /nfs/dbraw/zinc/94/05/77/563940577.db2.gz IEFKSGOWMZOXGU-UHFFFAOYSA-N 0 0 315.756 4.679 50 0 DJAARN O=C(NCc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000002992067 563941654 /nfs/dbraw/zinc/94/16/54/563941654.db2.gz YZJTUJVLAVEVAV-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN S=C(Nc1nc(-c2ccccc2)cs1)Nc1ccccc1 ZINC000003153302 563942403 /nfs/dbraw/zinc/94/24/03/563942403.db2.gz LCQSENRURIGCIP-UHFFFAOYSA-N 0 0 311.435 4.619 50 0 DJAARN CC(C)COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1Cl ZINC000030201141 563942448 /nfs/dbraw/zinc/94/24/48/563942448.db2.gz ZZLFDXJUNOHQKY-ZDUSSCGKSA-N 0 0 307.821 4.670 50 0 DJAARN COc1ccccc1N[C@H](c1ccccc1)[C@@H]1CCCCC1=O ZINC000003177665 563942618 /nfs/dbraw/zinc/94/26/18/563942618.db2.gz KPNMCFGMTFNXLT-OXQOHEQNSA-N 0 0 309.409 4.608 50 0 DJAARN O=C(CSc1nc2cc(Cl)ccc2s1)c1ccco1 ZINC000003232080 563942999 /nfs/dbraw/zinc/94/29/99/563942999.db2.gz XXVFEJQDQAFQBT-UHFFFAOYSA-N 0 0 309.799 4.518 50 0 DJAARN O=C(Oc1ccccc1)Oc1ccc(OCc2ccccc2)cc1 ZINC000003227701 563943040 /nfs/dbraw/zinc/94/30/40/563943040.db2.gz BLCLLDKDKFSRLU-UHFFFAOYSA-N 0 0 320.344 4.843 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000003236299 563943147 /nfs/dbraw/zinc/94/31/47/563943147.db2.gz CAPQTAJARCBKNJ-UHFFFAOYSA-N 0 0 306.601 4.961 50 0 DJAARN O=C(CSCc1ccccc1)c1ccccc1Br ZINC000003264973 563943305 /nfs/dbraw/zinc/94/33/05/563943305.db2.gz MZAQNDBNQBRCDF-UHFFFAOYSA-N 0 0 321.239 4.565 50 0 DJAARN O=C(CSc1ccccc1Cl)NC1CCCCCCC1 ZINC000003266969 563943349 /nfs/dbraw/zinc/94/33/49/563943349.db2.gz CAGGKSDVARIXOI-UHFFFAOYSA-N 0 0 311.878 4.661 50 0 DJAARN Cc1ccc(C(C)C)c(OCc2ccc(-c3nnco3)cc2)c1 ZINC000003256278 563943374 /nfs/dbraw/zinc/94/33/74/563943374.db2.gz JWJJBNLDNFXLNE-UHFFFAOYSA-N 0 0 308.381 4.747 50 0 DJAARN CC(=O)c1cccc(NCc2c(C)cc(C)c(C(C)=O)c2C)c1 ZINC000058337867 563944081 /nfs/dbraw/zinc/94/40/81/563944081.db2.gz SKUVFCXLLRZUNH-UHFFFAOYSA-N 0 0 309.409 4.629 50 0 DJAARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2cccnc12 ZINC000031091807 563944241 /nfs/dbraw/zinc/94/42/41/563944241.db2.gz ILGWWBHLEPYXDT-UHFFFAOYSA-N 0 0 320.436 4.698 50 0 DJAARN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1cnc2ccccc21 ZINC000031811870 563944894 /nfs/dbraw/zinc/94/48/94/563944894.db2.gz AVMCHXILOXBZJC-CQSZACIVSA-N 0 0 321.424 4.534 50 0 DJAARN CN(Cc1ccsc1)C(=O)c1ccccc1-c1ccccc1 ZINC000032414102 563945699 /nfs/dbraw/zinc/94/56/99/563945699.db2.gz PIPBCQPROBZWNM-UHFFFAOYSA-N 0 0 307.418 4.687 50 0 DJAARN O=C(Nc1ccccc1)c1ccc(SCc2cccnc2)cc1 ZINC000032478443 563945752 /nfs/dbraw/zinc/94/57/52/563945752.db2.gz FJRUYBGNPOHVHF-UHFFFAOYSA-N 0 0 320.417 4.626 50 0 DJAARN C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc21)c1cccs1 ZINC000007989568 563946059 /nfs/dbraw/zinc/94/60/59/563946059.db2.gz UJQDJEZBFKQZTR-SECBINFHSA-N 0 0 323.343 4.883 50 0 DJAARN CN(C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000007989313 563946082 /nfs/dbraw/zinc/94/60/82/563946082.db2.gz YSVUIXWKOQQJSI-UHFFFAOYSA-N 0 0 316.404 4.940 50 0 DJAARN Cc1ccccc1-c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000008209700 563947241 /nfs/dbraw/zinc/94/72/41/563947241.db2.gz NLIPVESPBOXSME-UHFFFAOYSA-N 0 0 320.417 4.670 50 0 DJAARN Cc1nc2ccccc2c(C)c1C(=O)Nc1ccccc1Cl ZINC000008316200 563947928 /nfs/dbraw/zinc/94/79/28/563947928.db2.gz QMNGYRKKFDGZTQ-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN Cc1ccc(C)c(OCCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000008327745 563947932 /nfs/dbraw/zinc/94/79/32/563947932.db2.gz ALDPVSLUMFMRSV-UHFFFAOYSA-N 0 0 317.816 4.673 50 0 DJAARN CN(Cc1nc2ccccc2o1)Cc1ccc(Cl)c(Cl)c1 ZINC000008532211 563948733 /nfs/dbraw/zinc/94/87/33/563948733.db2.gz SAUMJQRXGZVJGR-UHFFFAOYSA-N 0 0 321.207 4.767 50 0 DJAARN Cc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1 ZINC000067321675 563948997 /nfs/dbraw/zinc/94/89/97/563948997.db2.gz SZAIKBVYKDQXHC-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2)cc1 ZINC000008586632 563949246 /nfs/dbraw/zinc/94/92/46/563949246.db2.gz NGJAXCZOLXIMAH-UHFFFAOYSA-N 0 0 307.418 4.904 50 0 DJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000008748706 563950342 /nfs/dbraw/zinc/95/03/42/563950342.db2.gz QOAFCHTUSNQKHL-IEBWSBKVSA-N 0 0 324.468 4.617 50 0 DJAARN Cc1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000008848552 563950928 /nfs/dbraw/zinc/95/09/28/563950928.db2.gz TXXAIDPIMBWKMY-UHFFFAOYSA-N 0 0 307.315 4.503 50 0 DJAARN Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)s1 ZINC000008935856 563951472 /nfs/dbraw/zinc/95/14/72/563951472.db2.gz YEVWORHNJJCTGO-UHFFFAOYSA-N 0 0 315.225 4.506 50 0 DJAARN CC(C)CC[C@@]1(CC(=O)N2CCCCC2)CCO[C@H](C(C)C)C1 ZINC000009048846 563952044 /nfs/dbraw/zinc/95/20/44/563952044.db2.gz RHKIVGUDTGEVON-AZUAARDMSA-N 0 0 323.521 4.647 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1F ZINC000009250304 563954370 /nfs/dbraw/zinc/95/43/70/563954370.db2.gz SRVSBEGUPFKNPQ-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Cc1ccsc1C(=O)Nc1scnc1-c1ccc(F)cc1 ZINC000069967673 563955373 /nfs/dbraw/zinc/95/53/73/563955373.db2.gz OPPXZTWTMKJOID-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN CCOc1ccccc1NC(=O)Cc1coc2ccc(CC)cc12 ZINC000009430799 563955966 /nfs/dbraw/zinc/95/59/66/563955966.db2.gz AFXOOZDVQXZYNF-UHFFFAOYSA-N 0 0 323.392 4.575 50 0 DJAARN Cc1ccc2nc3sc(C(=O)N4CCCCCC4)cc3cc2c1 ZINC000009528652 563956813 /nfs/dbraw/zinc/95/68/13/563956813.db2.gz ULAMSMVKUYMDRV-UHFFFAOYSA-N 0 0 324.449 4.774 50 0 DJAARN Cc1ccc2c(cc(-c3nnc(-c4cccc(F)c4)s3)n2C)c1 ZINC000009668919 563957322 /nfs/dbraw/zinc/95/73/22/563957322.db2.gz URTROYRXBYKJMW-UHFFFAOYSA-N 0 0 323.396 4.811 50 0 DJAARN Cc1cccc(O[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000009691754 563957596 /nfs/dbraw/zinc/95/75/96/563957596.db2.gz MDMSFNDFWVYXMU-NSHDSACASA-N 0 0 324.207 4.708 50 0 DJAARN O=C(C[C@H]1C=CCC1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000009873395 563957747 /nfs/dbraw/zinc/95/77/47/563957747.db2.gz FZWDRSMOWXLKPI-LBPRGKRZSA-N 0 0 324.405 4.851 50 0 DJAARN O=C(C[C@@H]1C=CCC1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000009873402 563957830 /nfs/dbraw/zinc/95/78/30/563957830.db2.gz FZWDRSMOWXLKPI-GFCCVEGCSA-N 0 0 324.405 4.851 50 0 DJAARN CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3ccsc32)cc1 ZINC000071279485 563957940 /nfs/dbraw/zinc/95/79/40/563957940.db2.gz DRRWAKHGDMINNZ-HNNXBMFYSA-N 0 0 319.451 4.960 50 0 DJAARN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccccc1 ZINC000009957625 563958129 /nfs/dbraw/zinc/95/81/29/563958129.db2.gz XFVNOJYORULSON-FQEVSTJZSA-N 0 0 305.421 4.543 50 0 DJAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)CCC(C)C ZINC000010021345 563958223 /nfs/dbraw/zinc/95/82/23/563958223.db2.gz NJCMNRIERGKRNN-LLVKDONJSA-N 0 0 322.499 4.735 50 0 DJAARN C[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1cc2ccccc2o1 ZINC000010208314 563958412 /nfs/dbraw/zinc/95/84/12/563958412.db2.gz NGOGMJGDHMZYTK-ZIAGYGMSSA-N 0 0 308.381 4.554 50 0 DJAARN C[C@H](NC(=O)N[C@@H](C)c1ccccc1)c1cc2ccccc2o1 ZINC000010208308 563958427 /nfs/dbraw/zinc/95/84/27/563958427.db2.gz NGOGMJGDHMZYTK-KBPBESRZSA-N 0 0 308.381 4.554 50 0 DJAARN Cc1cc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)c(C)s1 ZINC000010520660 563959445 /nfs/dbraw/zinc/95/94/45/563959445.db2.gz RSZZGWKZFJDTEN-LBPRGKRZSA-N 0 0 318.467 4.783 50 0 DJAARN C=Cc1ccc(CN2c3ccccc3N=C3CCC[C@H]3C2=O)cc1 ZINC000101375716 563962078 /nfs/dbraw/zinc/96/20/78/563962078.db2.gz ZTDFFTDMYPHETP-QGZVFWFLSA-N 0 0 316.404 4.749 50 0 DJAARN O=Cc1c(Cl)n(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000044601992 568412990 /nfs/dbraw/zinc/41/29/90/568412990.db2.gz VTMRUCPYIZOTGK-UHFFFAOYSA-N 0 0 317.175 4.659 50 0 DJAARN Cc1cccc(Nc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000000520433 568414590 /nfs/dbraw/zinc/41/45/90/568414590.db2.gz DFNLPKSJMULTEL-UHFFFAOYSA-N 0 0 309.438 4.931 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000015360987 568417548 /nfs/dbraw/zinc/41/75/48/568417548.db2.gz DLULPENMPYCIBR-AWEZNQCLSA-N 0 0 317.816 4.671 50 0 DJAARN CC[C@H](C)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000012752640 568417823 /nfs/dbraw/zinc/41/78/23/568417823.db2.gz BDPJRACRHCWSAS-KXBFYZLASA-N 0 0 311.425 4.772 50 0 DJAARN Cc1ccc(-c2cncc(C(=O)Nc3cc(F)cc(F)c3)c2)cc1 ZINC000035514639 568418568 /nfs/dbraw/zinc/41/85/68/568418568.db2.gz ZPGJYDYITFHAEA-UHFFFAOYSA-N 0 0 324.330 4.588 50 0 DJAARN CCc1c2cc(C)c(C)cc2oc1C(=O)Nc1cnccc1C ZINC000526052211 568419513 /nfs/dbraw/zinc/41/95/13/568419513.db2.gz FSJPXFZVDHDOGX-UHFFFAOYSA-N 0 0 308.381 4.568 50 0 DJAARN CC(C)(C)OC(=O)Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC000095802888 185384085 /nfs/dbraw/zinc/38/40/85/185384085.db2.gz NPAIGTZVTGJVCZ-UHFFFAOYSA-N 0 0 312.291 4.601 50 0 DJAARN CCOc1cc2c(cc1/C=C\c1nc3ccccc3o1)O[C@H](C)C2 ZINC000096792120 185388412 /nfs/dbraw/zinc/38/84/12/185388412.db2.gz FNVOHRZCTVWSOX-LJTDUEICSA-N 0 0 321.376 4.720 50 0 DJAARN Cc1nnc(CS[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000079011084 185145849 /nfs/dbraw/zinc/14/58/49/185145849.db2.gz GHRDCWVCPGCCJN-ZETCQYMHSA-N 0 0 303.214 4.679 50 0 DJAARN Cc1nnc(CS[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000079011088 185145907 /nfs/dbraw/zinc/14/59/07/185145907.db2.gz GHRDCWVCPGCCJN-SSDOTTSWSA-N 0 0 303.214 4.679 50 0 DJAARN Cc1c2cc(C)ccc2oc1C[C@H]1c2cc(C)ccc2NC1=O ZINC000096835335 185388990 /nfs/dbraw/zinc/38/89/90/185388990.db2.gz OBTKAGWQXFMBRH-INIZCTEOSA-N 0 0 305.377 4.636 50 0 DJAARN Cc1ccc(/C=C(/Cl)c2nc(-c3cccs3)no2)cc1 ZINC000096891496 185390481 /nfs/dbraw/zinc/39/04/81/185390481.db2.gz IRDOSKPARGNDAV-FMIVXFBMSA-N 0 0 302.786 4.843 50 0 DJAARN C[C@@H](c1ccc(F)cc1)[S@@](=O)CCc1ccccc1Cl ZINC000083079971 185212857 /nfs/dbraw/zinc/21/28/57/185212857.db2.gz OGRLYZAUHWZPIH-FKIZINRSSA-N 0 0 310.821 4.532 50 0 DJAARN C[C@H](c1ccccc1F)[S@@](=O)CCc1ccccc1Cl ZINC000083080042 185212884 /nfs/dbraw/zinc/21/28/84/185212884.db2.gz NGWGKDDPPPVEGT-MPBGBICISA-N 0 0 310.821 4.532 50 0 DJAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(C)cc1 ZINC000096920646 185391751 /nfs/dbraw/zinc/39/17/51/185391751.db2.gz QXYIUOZEIABKJV-JJEJIETFSA-N 0 0 311.450 4.606 50 0 DJAARN CCNC(=S)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC000089977535 185273395 /nfs/dbraw/zinc/27/33/95/185273395.db2.gz MYFXMUQGNBQESU-UHFFFAOYSA-N 0 0 320.845 4.747 50 0 DJAARN CC(=O)c1cccc(NC(=O)Oc2ccc3ccccc3c2)c1 ZINC000003086161 190617422 /nfs/dbraw/zinc/61/74/22/190617422.db2.gz YJIBCYDRWNABQT-UHFFFAOYSA-N 0 0 305.333 4.653 50 0 DJAARN O=C(Cc1cccc2ccccc21)Nc1cccc2ncccc21 ZINC000006948714 190626493 /nfs/dbraw/zinc/62/64/93/190626493.db2.gz HGYJJHPJKSUXOS-UHFFFAOYSA-N 0 0 312.372 4.569 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1 ZINC000007996010 190629693 /nfs/dbraw/zinc/62/96/93/190629693.db2.gz XZDIGABHCLTIHF-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN C[C@H](NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000096997329 185395754 /nfs/dbraw/zinc/39/57/54/185395754.db2.gz POCWNSWMMDBTTN-JTQLQIEISA-N 0 0 320.223 4.721 50 0 DJAARN O=C(c1ccc(Cl)cc1F)N1CCCCC[C@@H]1c1ccco1 ZINC000082155634 192361974 /nfs/dbraw/zinc/36/19/74/192361974.db2.gz OLAZLBUQFQEWPG-OAHLLOKOSA-N 0 0 321.779 4.830 50 0 DJAARN C[C@@H](N[C@@H](C)c1cnccn1)c1ccccc1Oc1ccccc1 ZINC000095421567 185360590 /nfs/dbraw/zinc/36/05/90/185360590.db2.gz PZOJFRRUKHULCW-CVEARBPZSA-N 0 0 319.408 4.681 50 0 DJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(C2CC2)on1 ZINC000025462461 190650542 /nfs/dbraw/zinc/65/05/42/190650542.db2.gz VFOZQHJMNWEIDB-UHFFFAOYSA-N 0 0 320.348 4.597 50 0 DJAARN O=C(/C=C\c1cccs1)NC(c1ccccc1)c1ccccc1 ZINC000033317253 190660878 /nfs/dbraw/zinc/66/08/78/190660878.db2.gz PBGPDVUFPNFWIP-YPKPFQOOSA-N 0 0 319.429 4.667 50 0 DJAARN O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H]1c1ccsc1 ZINC000046911837 190675696 /nfs/dbraw/zinc/67/56/96/190675696.db2.gz LWAFVQGHRIOZSZ-ZWKOTPCHSA-N 0 0 311.450 4.532 50 0 DJAARN Clc1cccc(Nc2c(-c3ccccc3)nc3cnccn32)c1 ZINC000064657099 190703600 /nfs/dbraw/zinc/70/36/00/190703600.db2.gz SRIKQCFCGXZBDH-UHFFFAOYSA-N 0 0 320.783 4.793 50 0 DJAARN Clc1cccc(-c2cnn3c2nccc3-c2ccccc2)c1 ZINC000071384707 190964549 /nfs/dbraw/zinc/96/45/49/190964549.db2.gz HTIDMTZICKJVBD-UHFFFAOYSA-N 0 0 305.768 4.717 50 0 DJAARN CCCCCCNC(=O)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000072193650 191073868 /nfs/dbraw/zinc/07/38/68/191073868.db2.gz MCXAETDJTVXKAO-UHFFFAOYSA-N 0 0 322.408 4.805 50 0 DJAARN CCC(CC)C(=O)Nc1nc(-c2cc(C)ccc2OC)cs1 ZINC000072242456 191085977 /nfs/dbraw/zinc/08/59/77/191085977.db2.gz SFMJXTFCFNHCDX-UHFFFAOYSA-N 0 0 318.442 4.502 50 0 DJAARN Cc1ccc(NC(=O)Nc2cnc(C)c(Cl)c2C)c(C)c1 ZINC000072264665 191089800 /nfs/dbraw/zinc/08/98/00/191089800.db2.gz DHROAFOZNJVQOV-UHFFFAOYSA-N 0 0 303.793 4.613 50 0 DJAARN COC[C@H](Nc1ccc2ccccc2n1)c1ccc(Cl)cc1 ZINC000225604787 186282608 /nfs/dbraw/zinc/28/26/08/186282608.db2.gz HLVCAYKNCXJAPN-KRWDZBQOSA-N 0 0 312.800 4.688 50 0 DJAARN COC[C@@H](Nc1ccc2ccccc2n1)c1ccc(Cl)cc1 ZINC000225604812 186282807 /nfs/dbraw/zinc/28/28/07/186282807.db2.gz HLVCAYKNCXJAPN-QGZVFWFLSA-N 0 0 312.800 4.688 50 0 DJAARN O=C(NC(c1cccs1)c1cccs1)[C@@H]1CC12CCCC2 ZINC000072310257 191118759 /nfs/dbraw/zinc/11/87/59/191118759.db2.gz QGOBIMHRKAJUQN-LBPRGKRZSA-N 0 0 317.479 4.596 50 0 DJAARN Cc1cccc(Cl)c1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000072306409 191117507 /nfs/dbraw/zinc/11/75/07/191117507.db2.gz LCXZKJWWFIQMQD-KBPBESRZSA-N 0 0 303.764 4.530 50 0 DJAARN O=C(NC1CCCC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000035700 180673845 /nfs/dbraw/zinc/67/38/45/180673845.db2.gz AIXLKDYPIBRHLH-GOSISDBHSA-N 0 0 311.450 4.579 50 0 DJAARN O=C1C[C@H](C2CCCCC2)c2cnn(Cc3cccs3)c2N1 ZINC000072406089 191152857 /nfs/dbraw/zinc/15/28/57/191152857.db2.gz TVFPYVGWUMGCLW-CQSZACIVSA-N 0 0 315.442 4.649 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1ccccc1Br ZINC000000061688 180680741 /nfs/dbraw/zinc/68/07/41/180680741.db2.gz MNSUMPSHPNBJHQ-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1C ZINC000000048924 180677399 /nfs/dbraw/zinc/67/73/99/180677399.db2.gz QNPRAGCTVLFKKV-KRWDZBQOSA-N 0 0 317.841 4.735 50 0 DJAARN CN1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(F)cc1 ZINC000000103640 180693760 /nfs/dbraw/zinc/69/37/60/180693760.db2.gz JZSWCYFJQHYSAS-HXUWFJFHSA-N 0 0 304.368 4.760 50 0 DJAARN O=C(CSc1nc2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000000119417 180699017 /nfs/dbraw/zinc/69/90/17/180699017.db2.gz FHTKUALDHWXCGS-UHFFFAOYSA-N 0 0 321.760 4.595 50 0 DJAARN Cc1cc(C)cc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 ZINC000000142331 180706684 /nfs/dbraw/zinc/70/66/84/180706684.db2.gz ISYWLFFCNPTHJD-UHFFFAOYSA-N 0 0 311.425 4.753 50 0 DJAARN O=c1oc2ccc(Cl)cc2cc1-c1nc2ccccc2s1 ZINC000000195532 180721624 /nfs/dbraw/zinc/72/16/24/180721624.db2.gz JNINPWQDPPMJQA-UHFFFAOYSA-N 0 0 313.765 4.723 50 0 biogenic,in-vitro DJAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccccc1Cl ZINC000000198426 180722799 /nfs/dbraw/zinc/72/27/99/180722799.db2.gz CZLHVSPBJRBRED-OAHLLOKOSA-N 0 0 324.232 4.772 50 0 DJAARN O=C1C[C@@H](c2csc(-c3ccccc3)n2)C2(CCCCC2)O1 ZINC000000198175 180722802 /nfs/dbraw/zinc/72/28/02/180722802.db2.gz PDTDORYFBAWLJH-AWEZNQCLSA-N 0 0 313.422 4.544 50 0 DJAARN COc1ccc(-c2csc(Nc3ccc(C)cn3)n2)cc1C ZINC000000202165 180724386 /nfs/dbraw/zinc/72/43/86/180724386.db2.gz REWJBRCYLTWOLI-UHFFFAOYSA-N 0 0 311.410 4.574 50 0 DJAARN CC[C@@H](C)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1 ZINC000000204801 180724858 /nfs/dbraw/zinc/72/48/58/180724858.db2.gz HWULAQLGOBYGGT-CYBMUJFWSA-N 0 0 321.376 4.559 50 0 DJAARN C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000000258074 180740014 /nfs/dbraw/zinc/74/00/14/180740014.db2.gz FEYNJEADKCFWBA-UWVGGRQHSA-N 0 0 317.285 4.668 50 0 DJAARN Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccccc1 ZINC000000260283 180740677 /nfs/dbraw/zinc/74/06/77/180740677.db2.gz OPOUPAOEEBUVPZ-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN COc1ccc(CNc2ccc(C)c(C)c2)cc1Br ZINC000000293236 180750212 /nfs/dbraw/zinc/75/02/12/180750212.db2.gz NHCLBHDRNDGCPN-UHFFFAOYSA-N 0 0 320.230 4.687 50 0 DJAARN COc1ccccc1C(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000000285323 180748374 /nfs/dbraw/zinc/74/83/74/180748374.db2.gz PIKMAMLMHUWISB-UHFFFAOYSA-N 0 0 304.345 4.581 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000000308312 180755069 /nfs/dbraw/zinc/75/50/69/180755069.db2.gz KWGMXDUWOVGEMA-UHFFFAOYSA-N 0 0 303.789 4.724 50 0 DJAARN C[C@@H](CC(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000000318769 180758525 /nfs/dbraw/zinc/75/85/25/180758525.db2.gz FPFSNAXKRVMDCC-LBPRGKRZSA-N 0 0 318.214 4.581 50 0 DJAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccs1 ZINC000000384177 180772662 /nfs/dbraw/zinc/77/26/62/180772662.db2.gz QPGWMWCEIKSFHQ-GOSISDBHSA-N 0 0 322.385 4.529 50 0 DJAARN COc1ccc2c(c1)SCC1=C2CC[C@@]2(C)C(=O)CCC[C@@H]12 ZINC000000384071 180772971 /nfs/dbraw/zinc/77/29/71/180772971.db2.gz QNPGQRGXDQIWKA-QFBILLFUSA-N 0 0 314.450 4.724 50 0 DJAARN Cc1nc(Cl)sc1C(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000000385246 180773429 /nfs/dbraw/zinc/77/34/29/180773429.db2.gz VPFNMQZTQKJHFU-UHFFFAOYSA-N 0 0 316.209 4.594 50 0 DJAARN CN(C(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000000351950 180764120 /nfs/dbraw/zinc/76/41/20/180764120.db2.gz KDXGACGOKJFVFX-UHFFFAOYSA-N 0 0 315.372 4.792 50 0 DJAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000000364689 180767565 /nfs/dbraw/zinc/76/75/65/180767565.db2.gz UFANTCBOUCHNQU-HNNXBMFYSA-N 0 0 305.377 4.554 50 0 DJAARN CC(C)c1ccccc1NC(=O)Cc1c(F)cccc1Cl ZINC000000367314 180768736 /nfs/dbraw/zinc/76/87/36/180768736.db2.gz DOGYJJOOYRPCMC-UHFFFAOYSA-N 0 0 305.780 4.784 50 0 DJAARN CCOc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000000387723 180774585 /nfs/dbraw/zinc/77/45/85/180774585.db2.gz POEUALKPJNKSMJ-UHFFFAOYSA-N 0 0 313.328 4.531 50 0 DJAARN O=C(Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000000398039 180776935 /nfs/dbraw/zinc/77/69/35/180776935.db2.gz MGCCUXCCTBKJAN-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000000433734 180789695 /nfs/dbraw/zinc/78/96/95/180789695.db2.gz ZPNORPHKXGFXJK-SOFGYWHQSA-N 0 0 322.191 4.654 50 0 DJAARN COc1cc(SC)ccc1C(=O)Nc1cc(Cl)ccc1C ZINC000000457005 180796950 /nfs/dbraw/zinc/79/69/50/180796950.db2.gz OKQYSETXRPXNEE-UHFFFAOYSA-N 0 0 321.829 4.631 50 0 DJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c1C ZINC000000460431 180797838 /nfs/dbraw/zinc/79/78/38/180797838.db2.gz BOFKLVYZOGIMEQ-UHFFFAOYSA-N 0 0 324.424 4.540 50 0 DJAARN Cc1cc(C)c(NC(=O)COc2cc(C)cc(C)c2C)c(C)c1 ZINC000000461894 180798539 /nfs/dbraw/zinc/79/85/39/180798539.db2.gz SSUCVNFHELDDDN-UHFFFAOYSA-N 0 0 311.425 4.555 50 0 DJAARN COc1ccc(-c2cnc(CNc3ccc(C)cc3C)o2)cc1 ZINC000072910802 191250492 /nfs/dbraw/zinc/25/04/92/191250492.db2.gz AHDSGSDFJZKAQK-UHFFFAOYSA-N 0 0 308.381 4.579 50 0 DJAARN COc1c(C(=O)Nc2ccc(Cl)cc2)ccc2ccccc21 ZINC000000472139 180801637 /nfs/dbraw/zinc/80/16/37/180801637.db2.gz MLCOUCNWCJLHLK-UHFFFAOYSA-N 0 0 311.768 4.754 50 0 DJAARN CCc1cccc(CC)c1NC(=O)c1cc(Cl)ccc1OC ZINC000000484470 180805180 /nfs/dbraw/zinc/80/51/80/180805180.db2.gz ZCFNALPFTMZTLY-UHFFFAOYSA-N 0 0 317.816 4.726 50 0 DJAARN COc1cccc(-c2coc3c2c(C)cc2oc(=O)cc(C)c32)c1 ZINC000000489169 180806431 /nfs/dbraw/zinc/80/64/31/180806431.db2.gz NGMOQYVMDURJJS-UHFFFAOYSA-N 0 0 320.344 4.832 50 0 biogenic DJAARN CCOC(=O)c1c(C)oc2c1cc(O)cc2-c1ccc(C)cc1 ZINC000000522687 180812033 /nfs/dbraw/zinc/81/20/33/180812033.db2.gz GZBVKKGKKPXYDE-UHFFFAOYSA-N 0 0 310.349 4.599 50 0 DJAARN Clc1ccc(-c2nn3c(nnc3C3CCCCC3)s2)cc1 ZINC000000523169 180812508 /nfs/dbraw/zinc/81/25/08/180812508.db2.gz DISUSGYHYSYJJC-UHFFFAOYSA-N 0 0 318.833 4.554 50 0 DJAARN Cc1cc2c3c(C)n(Cc4ccccc4)c(C)c3c(C)nn2c1 ZINC000000527468 180813563 /nfs/dbraw/zinc/81/35/63/180813563.db2.gz OPCQLPZYUZBNDY-UHFFFAOYSA-N 0 0 303.409 4.571 50 0 DJAARN CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccc(F)c3)cc21 ZINC000000544975 180818269 /nfs/dbraw/zinc/81/82/69/180818269.db2.gz HQPJEZKOVWECFG-UHFFFAOYSA-N 0 0 311.356 4.652 50 0 DJAARN CCCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 ZINC000000544162 180818353 /nfs/dbraw/zinc/81/83/53/180818353.db2.gz LVRXWMHJWRJZNZ-UHFFFAOYSA-N 0 0 322.799 4.710 50 0 DJAARN Fc1cccc(Cl)c1COc1ccc(Br)cc1 ZINC000000564518 180822565 /nfs/dbraw/zinc/82/25/65/180822565.db2.gz UGUKYLYIZBBPSB-UHFFFAOYSA-N 0 0 315.569 4.821 50 0 DJAARN CC(C)COc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000000568699 180823388 /nfs/dbraw/zinc/82/33/88/180823388.db2.gz LOKSSXVMLGZSNH-UHFFFAOYSA-N 0 0 303.789 4.627 50 0 DJAARN CCC(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000000569643 180823649 /nfs/dbraw/zinc/82/36/49/180823649.db2.gz QCVAJXHCLJXNCE-UHFFFAOYSA-N 0 0 314.772 4.805 50 0 DJAARN Clc1ccc(Cn2c3ccccc3nc2-c2ccco2)cc1 ZINC000000572374 180824215 /nfs/dbraw/zinc/82/42/15/180824215.db2.gz MAOXSTZHTOCBGV-UHFFFAOYSA-N 0 0 308.768 4.998 50 0 DJAARN Cc1c(OC(=O)c2ccccc2Cl)ccc2c1CCCC2 ZINC000000620562 180831552 /nfs/dbraw/zinc/83/15/52/180831552.db2.gz OMGCRMRRHOTOLH-UHFFFAOYSA-N 0 0 300.785 4.746 50 0 DJAARN O=C(Cc1cccc(CC(=O)c2ccccc2)c1)c1ccccc1 ZINC000001038952 180842148 /nfs/dbraw/zinc/84/21/48/180842148.db2.gz CLPMXBIEKMPEHK-UHFFFAOYSA-N 0 0 314.384 4.537 50 0 DJAARN CCCc1cc(=O)oc2cc(C)cc(OCc3cccc(C)c3)c12 ZINC000001165185 180848838 /nfs/dbraw/zinc/84/88/38/180848838.db2.gz MFXXFZZWXHXHEC-UHFFFAOYSA-N 0 0 322.404 4.941 50 0 DJAARN COc1cccc2cc([C@@H](C)OC(=O)Nc3ccccc3)oc21 ZINC000001406570 180863263 /nfs/dbraw/zinc/86/32/63/180863263.db2.gz UWDRKCCMKFBMLH-GFCCVEGCSA-N 0 0 311.337 4.751 50 0 DJAARN O[C@H](Cc1ccnc2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000001494982 180869874 /nfs/dbraw/zinc/86/98/74/180869874.db2.gz CKXRKWAKMIHZSV-QGZVFWFLSA-N 0 0 317.310 4.530 50 0 DJAARN CCOc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001738344 180893483 /nfs/dbraw/zinc/89/34/83/180893483.db2.gz LWNQWRGMXNTMPQ-UHFFFAOYSA-N 0 0 324.302 4.748 50 0 DJAARN CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(OCCC)cc1 ZINC000001778364 180896105 /nfs/dbraw/zinc/89/61/05/180896105.db2.gz VXZUUVBFNUGXAH-WKOYGUFESA-N 0 0 317.473 4.821 50 0 DJAARN CCCCCn1c2ccccc2nc1[C@H](CCCC)NC(C)=O ZINC000001927004 180902703 /nfs/dbraw/zinc/90/27/03/180902703.db2.gz GJBAORMQCXCCHO-KRWDZBQOSA-N 0 0 315.461 4.594 50 0 DJAARN CCCOc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000002052389 180908175 /nfs/dbraw/zinc/90/81/75/180908175.db2.gz DKYILMBJNPNVMG-UHFFFAOYSA-N 0 0 305.377 4.881 50 0 DJAARN CCCC[C@H](CC)C(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000002061848 180908908 /nfs/dbraw/zinc/90/89/08/180908908.db2.gz YPRLVUMHIXBECN-LBPRGKRZSA-N 0 0 320.458 4.850 50 0 DJAARN COc1ccccc1CCC(=O)c1ccc(Cl)cc1Cl ZINC000002516480 180929626 /nfs/dbraw/zinc/92/96/26/180929626.db2.gz YTRZJGLVDDDSLZ-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN O=C(CCc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000002517228 180930880 /nfs/dbraw/zinc/93/08/80/180930880.db2.gz UFDAENUPQRIIDS-UHFFFAOYSA-N 0 0 323.617 4.918 50 0 DJAARN Cc1cc(C)cc(CCC(=O)c2cccc(Br)c2)c1 ZINC000002517694 180931247 /nfs/dbraw/zinc/93/12/47/180931247.db2.gz ZBQDAJVWLUFVLI-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN CCCCCC(=O)n1nc2c(c1C(C)(C)C)C(=O)c1ccccc1-2 ZINC000002543637 180933663 /nfs/dbraw/zinc/93/36/63/180933663.db2.gz QAHDAPAGFNRKLM-UHFFFAOYSA-N 0 0 324.424 4.613 50 0 DJAARN Cc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)cc1 ZINC000002691203 180946896 /nfs/dbraw/zinc/94/68/96/180946896.db2.gz ALTFBFJUDJCNTB-UHFFFAOYSA-N 0 0 320.417 4.746 50 0 DJAARN Cc1ccc(C)c(SCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000002726392 180949012 /nfs/dbraw/zinc/94/90/12/180949012.db2.gz MXPVGXIPWVQCNL-UHFFFAOYSA-N 0 0 323.820 4.827 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1csc2ccccc12 ZINC000002764376 180953491 /nfs/dbraw/zinc/95/34/91/180953491.db2.gz NUVPEHRBPPVHIC-UHFFFAOYSA-N 0 0 310.403 4.763 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000002818063 180960914 /nfs/dbraw/zinc/96/09/14/180960914.db2.gz AIKWRUUWNOEIKF-UHFFFAOYSA-N 0 0 311.425 4.582 50 0 DJAARN CCCCc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 ZINC000002838455 180962769 /nfs/dbraw/zinc/96/27/69/180962769.db2.gz SEOONJNBVKUTHT-UHFFFAOYSA-N 0 0 324.449 4.820 50 0 DJAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c3c(cccc31)CC2 ZINC000002839422 180962955 /nfs/dbraw/zinc/96/29/55/180962955.db2.gz VWCMGXVQUXHYPS-UHFFFAOYSA-N 0 0 321.807 4.522 50 0 DJAARN CCCOc1ccccc1NC(=O)Nc1ccccc1Cl ZINC000002838899 180963002 /nfs/dbraw/zinc/96/30/02/180963002.db2.gz QYIWNLHQOUVGCL-UHFFFAOYSA-N 0 0 304.777 4.773 50 0 DJAARN COc1ccc(OCCCCOc2cccc(C)c2C)cc1 ZINC000002904866 180969586 /nfs/dbraw/zinc/96/95/86/180969586.db2.gz CCIBFYJVFCJOEZ-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN CCOc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 ZINC000002888803 180967994 /nfs/dbraw/zinc/96/79/94/180967994.db2.gz BHKPOPHUIBDPQY-UHFFFAOYSA-N 0 0 300.741 4.512 50 0 DJAARN COc1cccc(OCCCOc2ccc(C(C)C)cc2)c1 ZINC000002904843 180969069 /nfs/dbraw/zinc/96/90/69/180969069.db2.gz QHADJCKEPIEDNP-UHFFFAOYSA-N 0 0 300.398 4.667 50 0 DJAARN CCOc1ccccc1OCCOc1ccc(Cl)c(CC)c1 ZINC000002983548 180973548 /nfs/dbraw/zinc/97/35/48/180973548.db2.gz MJEJSXVBABWPMU-UHFFFAOYSA-N 0 0 320.816 4.759 50 0 DJAARN CCOc1cccc(OCCCOc2cccc(C)c2C)c1 ZINC000002985318 180974242 /nfs/dbraw/zinc/97/42/42/180974242.db2.gz UMQWSNUPXFJWNJ-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN O=C(Cc1ccccc1)c1ccc(C(=O)Cc2ccccc2)cc1 ZINC000003181003 180988902 /nfs/dbraw/zinc/98/89/02/180988902.db2.gz LMHJOKJRACWSRE-UHFFFAOYSA-N 0 0 314.384 4.537 50 0 DJAARN CCN(C(=O)CSc1ccc(Cl)cc1)C1CCCCC1 ZINC000003237460 180994528 /nfs/dbraw/zinc/99/45/28/180994528.db2.gz QNRPXORUCXPIMD-UHFFFAOYSA-N 0 0 311.878 4.613 50 0 DJAARN CCN(CC)c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000003288763 181000991 /nfs/dbraw/zinc/00/09/91/181000991.db2.gz XUBUIVCJNJYVEP-UHFFFAOYSA-N 0 0 317.845 4.858 50 0 DJAARN Cc1ccc(F)cc1NC(=O)c1ccccc1Cc1ccccc1 ZINC000003290911 181001159 /nfs/dbraw/zinc/00/11/59/181001159.db2.gz JVSANQJSNRXNMO-UHFFFAOYSA-N 0 0 319.379 4.977 50 0 DJAARN CC(=O)c1c(C)[nH]c(-c2csc(NC3CCCCC3)n2)c1C ZINC000003328288 181006248 /nfs/dbraw/zinc/00/62/48/181006248.db2.gz VUOOACSZGKGHGY-UHFFFAOYSA-N 0 0 317.458 4.702 50 0 DJAARN Cc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)o1 ZINC000003367741 181012309 /nfs/dbraw/zinc/01/23/09/181012309.db2.gz QBDBYMFVFUUTTM-UHFFFAOYSA-N 0 0 321.376 4.653 50 0 DJAARN C/C=C/c1ccc(OCC(=O)c2cc(C)ccc2C)c(OC)c1 ZINC000003331588 181006576 /nfs/dbraw/zinc/00/65/76/181006576.db2.gz PAGODICOYIAATL-AATRIKPKSA-N 0 0 310.393 4.607 50 0 DJAARN Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000003330644 181007034 /nfs/dbraw/zinc/00/70/34/181007034.db2.gz GHBSHWWPZJSSNV-UHFFFAOYSA-N 0 0 308.208 4.540 50 0 DJAARN CC(C)c1ccccc1NC(=S)N(C)Cc1cccc(F)c1 ZINC000003330326 181007146 /nfs/dbraw/zinc/00/71/46/181007146.db2.gz QOYMGMUMMXEIDT-UHFFFAOYSA-N 0 0 316.445 4.778 50 0 DJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1C(F)(F)F ZINC000003334584 181007663 /nfs/dbraw/zinc/00/76/63/181007663.db2.gz JWJHRNWOFOXHQA-MRXNPFEDSA-N 0 0 319.326 4.513 50 0 DJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2NC1CCCCCC1 ZINC000003340252 181008547 /nfs/dbraw/zinc/00/85/47/181008547.db2.gz REYRWOJVPIEDER-UHFFFAOYSA-N 0 0 318.424 4.827 50 0 DJAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000003349486 181009843 /nfs/dbraw/zinc/00/98/43/181009843.db2.gz DLGLNLARRBBPHG-UHFFFAOYSA-N 0 0 314.816 4.501 50 0 DJAARN Cc1ccsc1C(=O)OCc1c(Cl)cccc1Cl ZINC000003350475 181010105 /nfs/dbraw/zinc/01/01/05/181010105.db2.gz BTGWWVVNYYZQCL-UHFFFAOYSA-N 0 0 301.194 4.720 50 0 DJAARN c1csc(-c2nc3ccccc3c(N3CCCCCC3)n2)c1 ZINC000003360098 181011559 /nfs/dbraw/zinc/01/15/59/181011559.db2.gz HECGXVNJKGCGPM-UHFFFAOYSA-N 0 0 309.438 4.739 50 0 DJAARN Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)coc2c1 ZINC000003554118 181033925 /nfs/dbraw/zinc/03/39/25/181033925.db2.gz ICYVPAZHURMHIF-UHFFFAOYSA-N 0 0 313.784 4.884 50 0 DJAARN Cc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000003588458 181037689 /nfs/dbraw/zinc/03/76/89/181037689.db2.gz BZMUVKVKOSUZTC-GOSISDBHSA-N 0 0 308.425 4.633 50 0 DJAARN O=C(CSc1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000003598204 181038377 /nfs/dbraw/zinc/03/83/77/181038377.db2.gz NEOBBUXIBVQJEY-UHFFFAOYSA-N 0 0 311.381 4.710 50 0 DJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(C)CC1 ZINC000003538720 181031248 /nfs/dbraw/zinc/03/12/48/181031248.db2.gz FKBSRPMENNIZGU-UHFFFAOYSA-N 0 0 316.489 4.604 50 0 DJAARN Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1Cl ZINC000003608161 181040202 /nfs/dbraw/zinc/04/02/02/181040202.db2.gz PLAQUIJXSHEBIC-UHFFFAOYSA-N 0 0 312.800 4.701 50 0 DJAARN Cc1cc(C(c2ccco2)c2cc(C)c(N)c(C)c2)cc(C)c1N ZINC000003880404 181051726 /nfs/dbraw/zinc/05/17/26/181051726.db2.gz MTWYSMLSPZBHPO-UHFFFAOYSA-N 0 0 320.436 4.858 50 0 DJAARN FC(F)(F)c1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000003894502 181053772 /nfs/dbraw/zinc/05/37/72/181053772.db2.gz XKCZWFRGKRRYNT-UHFFFAOYSA-N 0 0 307.319 4.517 50 0 DJAARN CC[C@]1(O)CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C ZINC000004028126 181064479 /nfs/dbraw/zinc/06/44/79/181064479.db2.gz NVYBDSYHTNOJSQ-WHZJULEDSA-N 0 0 314.469 4.692 50 0 biogenic DJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000004032207 181065459 /nfs/dbraw/zinc/06/54/59/181065459.db2.gz YLBXGWCVGWTZEJ-UHFFFAOYSA-N 0 0 319.408 4.749 50 0 DJAARN COc1cccc2cc([C@@H](O)c3ccc(Cl)cc3Cl)oc21 ZINC000004050536 181066559 /nfs/dbraw/zinc/06/65/59/181066559.db2.gz JIBJEUTYWADIIA-HNNXBMFYSA-N 0 0 323.175 4.830 50 0 DJAARN ClC(Cl)=C[C@@H]1CC(c2ccccc2)=NN1c1ccccc1 ZINC000004011881 181062228 /nfs/dbraw/zinc/06/22/28/181062228.db2.gz UMPSIQCPTPUUEX-HNNXBMFYSA-N 0 0 317.219 4.989 50 0 DJAARN Cc1ccc(-c2ccc(OCC(=O)OC3CCCCC3)cc2)cc1 ZINC000004056212 181067463 /nfs/dbraw/zinc/06/74/63/181067463.db2.gz LQXCGZUYVQHQMS-UHFFFAOYSA-N 0 0 324.420 4.917 50 0 DJAARN CC[C@@H](Oc1ccc(-c2ccc(C)cc2)cc1)C(=O)OC(C)C ZINC000004056200 181067514 /nfs/dbraw/zinc/06/75/14/181067514.db2.gz FWWDVCIXIGBWOL-LJQANCHMSA-N 0 0 312.409 4.771 50 0 DJAARN COc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1 ZINC000004060863 181067925 /nfs/dbraw/zinc/06/79/25/181067925.db2.gz RRUYYVOQADNZKI-UHFFFAOYSA-N 0 0 312.756 4.598 50 0 DJAARN COc1cnc(-c2ccccc2)nc1Sc1ccc(C)cc1 ZINC000004060864 181068024 /nfs/dbraw/zinc/06/80/24/181068024.db2.gz JUMLONVRKRMHIP-UHFFFAOYSA-N 0 0 308.406 4.612 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000004060171 181068243 /nfs/dbraw/zinc/06/82/43/181068243.db2.gz SQBNIKPSPHNUAX-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN CC(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000004076930 181070515 /nfs/dbraw/zinc/07/05/15/181070515.db2.gz WAFUGWPPHCOWRM-UHFFFAOYSA-N 0 0 321.254 4.773 50 0 DJAARN CCCC[C@H](CC)C(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004123833 181076782 /nfs/dbraw/zinc/07/67/82/181076782.db2.gz VQMXUUAJYSOUIC-AWEZNQCLSA-N 0 0 314.473 4.604 50 0 DJAARN O=C(CC1CCCCC1)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004138171 181078103 /nfs/dbraw/zinc/07/81/03/181078103.db2.gz UBIALKHLICUQJN-UHFFFAOYSA-N 0 0 324.468 4.633 50 0 DJAARN Cc1cc2cc(CNC(=O)c3ccc4ccccc4c3)ccc2[nH]1 ZINC000004138075 181078166 /nfs/dbraw/zinc/07/81/66/181078166.db2.gz SXOCYPUERHLTMC-UHFFFAOYSA-N 0 0 314.388 4.560 50 0 DJAARN Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000004194592 181084172 /nfs/dbraw/zinc/08/41/72/181084172.db2.gz WHMBSFDZWUXTRW-WYMLVPIESA-N 0 0 303.361 4.907 50 0 DJAARN COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 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Cc1oc2ccc(O)cc2c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000004426133 181109399 /nfs/dbraw/zinc/10/93/99/181109399.db2.gz NSNJAFLRVOSWAY-UHFFFAOYSA-N 0 0 309.365 4.823 50 0 DJAARN Cc1ccc2nc(NC(=O)c3ccc(C)cc3Cl)sc2c1 ZINC000004537674 181120738 /nfs/dbraw/zinc/12/07/38/181120738.db2.gz GSNDPPRDZFCJQI-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN COc1ccc(-c2cc3cc4c(C)coc4cc3oc2=O)cc1 ZINC000004540417 181121590 /nfs/dbraw/zinc/12/15/90/181121590.db2.gz AJDSPAFASYUUNQ-UHFFFAOYSA-N 0 0 306.317 4.523 50 0 biogenic DJAARN COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1Cl ZINC000004541823 181121992 /nfs/dbraw/zinc/12/19/92/181121992.db2.gz KMOBQZILTRZGCO-UHFFFAOYSA-N 0 0 303.789 4.724 50 0 DJAARN CCc1ccccc1NC(=O)COc1c(Cl)cccc1Cl ZINC000004542106 181122378 /nfs/dbraw/zinc/12/23/78/181122378.db2.gz WXXJSNPVLGBPQM-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN O=C(Nc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000004542472 181122477 /nfs/dbraw/zinc/12/24/77/181122477.db2.gz FFSMGGLZCZRZHB-UHFFFAOYSA-N 0 0 302.377 4.598 50 0 DJAARN 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CC(C)C[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000020105687 182186759 /nfs/dbraw/zinc/18/67/59/182186759.db2.gz GOCNCSIPHXGHGP-KRWDZBQOSA-N 0 0 301.817 4.857 50 0 DJAARN CCCCN1C(=O)c2ccccc2[C@H]1SCc1ccccc1 ZINC000020130869 182189712 /nfs/dbraw/zinc/18/97/12/182189712.db2.gz ZPRTUECWEATOEC-LJQANCHMSA-N 0 0 311.450 4.875 50 0 DJAARN Cc1ccc(C)c([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000020356973 182211117 /nfs/dbraw/zinc/21/11/17/182211117.db2.gz WXEPRMOQOUIBKA-GFCCVEGCSA-N 0 0 320.795 4.979 50 0 DJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020366804 182211527 /nfs/dbraw/zinc/21/15/27/182211527.db2.gz CQJNOAMWZWJTDU-LLVKDONJSA-N 0 0 306.768 4.670 50 0 DJAARN Cc1ccc(C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000020362314 182211667 /nfs/dbraw/zinc/21/16/67/182211667.db2.gz KANHXGUQFVIMCZ-UHFFFAOYSA-N 0 0 321.195 4.796 50 0 DJAARN CC(C)(C)C1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000020467858 182221101 /nfs/dbraw/zinc/22/11/01/182221101.db2.gz ZEXYNPVSZCIXFU-UHFFFAOYSA-N 0 0 314.473 4.902 50 0 DJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)CCC2 ZINC000020494115 182224212 /nfs/dbraw/zinc/22/42/12/182224212.db2.gz VAEFXUSBRJQBQT-UHFFFAOYSA-N 0 0 324.468 4.513 50 0 DJAARN C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000020551369 182230089 /nfs/dbraw/zinc/23/00/89/182230089.db2.gz ZAWJNEPMNSNCTE-JTQLQIEISA-N 0 0 309.196 4.876 50 0 DJAARN Cc1noc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)c12 ZINC000020615633 182239633 /nfs/dbraw/zinc/23/96/33/182239633.db2.gz GPGRCMHBKXSPRB-UHFFFAOYSA-N 0 0 306.287 4.834 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c1 ZINC000020575542 182234596 /nfs/dbraw/zinc/23/45/96/182234596.db2.gz ROOKTASIEQPTPG-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN Cc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1F ZINC000021016245 182260540 /nfs/dbraw/zinc/26/05/40/182260540.db2.gz IYXGQZMZIBHVNK-IBGZPJMESA-N 0 0 322.383 4.554 50 0 DJAARN Cc1ccc(NC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1 ZINC000021015937 182260790 /nfs/dbraw/zinc/26/07/90/182260790.db2.gz RPSAMLBSFGPENH-HXUWFJFHSA-N 0 0 318.420 4.723 50 0 DJAARN Cc1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)c(C)c1 ZINC000021016189 182260863 /nfs/dbraw/zinc/26/08/63/182260863.db2.gz WKJZENXHPTYAAC-HXUWFJFHSA-N 0 0 318.420 4.723 50 0 DJAARN CCc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1 ZINC000021016127 182260978 /nfs/dbraw/zinc/26/09/78/182260978.db2.gz NBKHQCFYYXRDNH-FQEVSTJZSA-N 0 0 318.420 4.669 50 0 DJAARN COc1ccc(OCc2cccc3ccccc32)c(C(C)=O)c1 ZINC000021025403 182261384 /nfs/dbraw/zinc/26/13/84/182261384.db2.gz ZAIPPZIHKCPZCK-UHFFFAOYSA-N 0 0 306.361 4.630 50 0 DJAARN CCOc1ccccc1CN1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021720424 182286133 /nfs/dbraw/zinc/28/61/33/182286133.db2.gz NOZZBRZFQBBRSN-QGZVFWFLSA-N 0 0 314.429 4.534 50 0 DJAARN CCc1cc2c(ncnc2NCc2ccccc2Cl)s1 ZINC000021651633 182282743 /nfs/dbraw/zinc/28/27/43/182282743.db2.gz KEAGJJBYMKNYPN-UHFFFAOYSA-N 0 0 303.818 4.519 50 0 DJAARN Cc1cccc(C)c1NC(=O)CCSc1ccccc1F ZINC000021675539 182283698 /nfs/dbraw/zinc/28/36/98/182283698.db2.gz JQMSUCDNXGSTIZ-UHFFFAOYSA-N 0 0 303.402 4.563 50 0 DJAARN O=C(Nc1ccccc1Oc1ccccc1Cl)C1CCC1 ZINC000021707134 182284012 /nfs/dbraw/zinc/28/40/12/182284012.db2.gz GXTNEKSRYYXXOY-UHFFFAOYSA-N 0 0 301.773 4.871 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 ZINC000021787803 182288958 /nfs/dbraw/zinc/28/89/58/182288958.db2.gz NMEFSIRWCDJONW-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN CC(C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021840275 182295018 /nfs/dbraw/zinc/29/50/18/182295018.db2.gz XUPCDPIEBXUIPS-GOSISDBHSA-N 0 0 301.817 4.592 50 0 DJAARN CC(C)CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021841215 182295044 /nfs/dbraw/zinc/29/50/44/182295044.db2.gz BXKAMZQWIHHHFA-LJQANCHMSA-N 0 0 315.844 4.982 50 0 DJAARN CCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000021944792 182299636 /nfs/dbraw/zinc/29/96/36/182299636.db2.gz LMMQLKFRGBLGJD-UHFFFAOYSA-N 0 0 319.408 4.668 50 0 DJAARN CCCC[C@@H](CC)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000022312947 182317160 /nfs/dbraw/zinc/31/71/60/182317160.db2.gz QUKFUCQCZAXAQW-GOSISDBHSA-N 0 0 319.464 4.823 50 0 DJAARN O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCCCCCC1 ZINC000022341957 182319769 /nfs/dbraw/zinc/31/97/69/182319769.db2.gz BZIYNMKDRXKDNK-UHFFFAOYSA-N 0 0 317.429 4.961 50 0 DJAARN C[C@H]1CCCN1C(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000022338738 182319772 /nfs/dbraw/zinc/31/97/72/182319772.db2.gz HNIRUVJLQHXYRC-NSHDSACASA-N 0 0 305.830 4.693 50 0 DJAARN CCCCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022635900 182329131 /nfs/dbraw/zinc/32/91/31/182329131.db2.gz WHSGFRIXUCKHMI-UHFFFAOYSA-N 0 0 322.408 4.757 50 0 DJAARN COc1cccc(OC)c1-c1nc2cc(C(C)(C)C)ccc2o1 ZINC000022650581 182329974 /nfs/dbraw/zinc/32/99/74/182329974.db2.gz NEDJEXUTHSPCQI-UHFFFAOYSA-N 0 0 311.381 4.810 50 0 biogenic DJAARN O=C(Nc1cccc2ccccc21)N1CCC[C@H]1c1cccnc1 ZINC000022893368 182339418 /nfs/dbraw/zinc/33/94/18/182339418.db2.gz YGYJSODITDRHHS-IBGZPJMESA-N 0 0 317.392 4.604 50 0 DJAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cccnc1Cl ZINC000022906748 182340232 /nfs/dbraw/zinc/34/02/32/182340232.db2.gz QCPYBNKQPUTATG-UHFFFAOYSA-N 0 0 320.779 4.559 50 0 DJAARN CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1OC ZINC000023119803 182348856 /nfs/dbraw/zinc/34/88/56/182348856.db2.gz DBKISJLTHLTCJC-UHFFFAOYSA-N 0 0 318.804 4.797 50 0 DJAARN CCCCn1cnc2c(-c3cccc(Cl)c3)csc2c1=O ZINC000023126664 182349291 /nfs/dbraw/zinc/34/92/91/182349291.db2.gz YGVQJICQYGWSHY-UHFFFAOYSA-N 0 0 318.829 4.579 50 0 DJAARN CCC[C@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000023547652 182363258 /nfs/dbraw/zinc/36/32/58/182363258.db2.gz UZLLGPYJRNKBTF-BBRMVZONSA-N 0 0 317.379 4.726 50 0 DJAARN COc1ccc(OC)c2c(C)cc(NCC3CCCCC3)nc12 ZINC000023634407 182364391 /nfs/dbraw/zinc/36/43/91/182364391.db2.gz KHNILMYUUOQKMF-UHFFFAOYSA-N 0 0 314.429 4.553 50 0 DJAARN FC(F)(F)c1cccc(-c2csc(-c3ccncc3)n2)c1 ZINC000023623168 182364400 /nfs/dbraw/zinc/36/44/00/182364400.db2.gz BFBANZRUMLYSHH-UHFFFAOYSA-N 0 0 306.312 4.891 50 0 DJAARN CC(=O)c1cc(CCC(=O)Nc2cccc3ccccc32)oc1C ZINC000024281145 182378967 /nfs/dbraw/zinc/37/89/67/182378967.db2.gz NOFTUDMKYHDXOL-UHFFFAOYSA-N 0 0 321.376 4.515 50 0 DJAARN Cc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000025929820 182425159 /nfs/dbraw/zinc/42/51/59/182425159.db2.gz UTUOMXICTVZCOQ-UHFFFAOYSA-N 0 0 318.376 4.780 50 0 DJAARN Cc1cc(S[C@@H](C)c2nc(C(C)C)no2)nc2ccccc12 ZINC000027777704 182491616 /nfs/dbraw/zinc/49/16/16/182491616.db2.gz QPSORGSXSMHWTM-LBPRGKRZSA-N 0 0 313.426 4.903 50 0 DJAARN COc1ccc(N(Cc2ccco2)C(=O)Nc2ccccc2)cc1 ZINC000027795659 182492134 /nfs/dbraw/zinc/49/21/34/182492134.db2.gz LMMZEGOPQBXTJT-UHFFFAOYSA-N 0 0 322.364 4.527 50 0 DJAARN CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(OC)cc2)CC1 ZINC000100003462 193792809 /nfs/dbraw/zinc/79/28/09/193792809.db2.gz HJIVFZUPTYADSP-IYBDPMFKSA-N 0 0 304.430 4.987 50 0 DJAARN Cc1ccsc1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000030116576 182583708 /nfs/dbraw/zinc/58/37/08/182583708.db2.gz TZVWIDQTMPYRGT-JTQLQIEISA-N 0 0 313.344 4.566 50 0 DJAARN O=C(C=CNc1ccccc1)Oc1ccc(Cl)cc1Cl ZINC000100394506 193798981 /nfs/dbraw/zinc/79/89/81/193798981.db2.gz PSDHGQIRYPRPTI-CMDGGOBGSA-N 0 0 308.164 4.525 50 0 DJAARN Clc1ccc(CSc2nccn2C2CC2)c2ncccc12 ZINC000031655321 182618975 /nfs/dbraw/zinc/61/89/75/182618975.db2.gz RPFOKMUKNJJHBF-UHFFFAOYSA-N 0 0 315.829 4.712 50 0 DJAARN O=C1N=C2C(=Cc3ccccc3)CCCC2[C@H](c2ccccc2)N1 ZINC000032689271 182655099 /nfs/dbraw/zinc/65/50/99/182655099.db2.gz NFRZKWYPMCUOCU-FCUDFIOSSA-N 0 0 316.404 4.562 50 0 DJAARN O=C(NCC1(c2ccccc2)CCC1)c1cccc2ccccc21 ZINC000032882342 182674198 /nfs/dbraw/zinc/67/41/98/182674198.db2.gz KJFKYNNAMWZYNP-UHFFFAOYSA-N 0 0 315.416 4.692 50 0 DJAARN Cc1ccsc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032995999 182686987 /nfs/dbraw/zinc/68/69/87/182686987.db2.gz OVYKYEWUAMNVQL-UHFFFAOYSA-N 0 0 305.402 4.880 50 0 DJAARN O=C(Cc1cccs1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032995998 182687092 /nfs/dbraw/zinc/68/70/92/182687092.db2.gz PWZDELNBWPNTOD-UHFFFAOYSA-N 0 0 305.402 4.501 50 0 DJAARN CCCCNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12 ZINC000033036704 182690141 /nfs/dbraw/zinc/69/01/41/182690141.db2.gz CAKXIISKKAFZJU-UHFFFAOYSA-N 0 0 318.420 4.740 50 0 DJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C)c(C)c2)s1 ZINC000033049123 182690395 /nfs/dbraw/zinc/69/03/95/182690395.db2.gz PIYUROPJRIAPFQ-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN O=C(NCCC1=CCCCC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126085 182693833 /nfs/dbraw/zinc/69/38/33/182693833.db2.gz BWJVEEYOEFDIPI-SFHVURJKSA-N 0 0 322.452 4.595 50 0 DJAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccc(OC2CCCC2)cc1 ZINC000101016588 193806651 /nfs/dbraw/zinc/80/66/51/193806651.db2.gz OVGSPFQTQRBVBV-LJQANCHMSA-N 0 0 321.420 4.595 50 0 DJAARN Oc1cccc2ccc(/C=C\c3ccccc3OC(F)F)nc12 ZINC000033476487 182713992 /nfs/dbraw/zinc/71/39/92/182713992.db2.gz BBPUTIHSBAFSCS-NTMALXAHSA-N 0 0 313.303 4.712 50 0 DJAARN O[C@H](c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000035287597 182766346 /nfs/dbraw/zinc/76/63/46/182766346.db2.gz IJECXTZHVDMNGS-CYBMUJFWSA-N 0 0 320.232 4.806 50 0 DJAARN CC(C)CCNc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000036613271 182828651 /nfs/dbraw/zinc/82/86/51/182828651.db2.gz IBRGYFQUSWLHOJ-UHFFFAOYSA-N 0 0 315.364 4.682 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1C ZINC000036620988 182829854 /nfs/dbraw/zinc/82/98/54/182829854.db2.gz NLFMZDXEZGIAMD-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN CSc1ccc2nc(NC(=O)Nc3cccs3)sc2c1 ZINC000038671458 183006625 /nfs/dbraw/zinc/00/66/25/183006625.db2.gz JUAMNVSCIBOAPS-UHFFFAOYSA-N 0 0 321.452 4.724 50 0 DJAARN Cc1cccc(NC(=O)N[C@H](c2cccs2)C(C)C)c1C ZINC000040023991 183028266 /nfs/dbraw/zinc/02/82/66/183028266.db2.gz WTBUULTXBFVJBU-INIZCTEOSA-N 0 0 302.443 4.884 50 0 DJAARN C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccccc1F)C1CC1 ZINC000040070279 183030704 /nfs/dbraw/zinc/03/07/04/183030704.db2.gz DISMKQNSFDOVRT-LBPRGKRZSA-N 0 0 317.791 4.845 50 0 DJAARN CCOc1ccccc1NC(=O)CCCSc1ccccc1 ZINC000040159510 183041282 /nfs/dbraw/zinc/04/12/82/183041282.db2.gz LALFZDVCFBSKEN-UHFFFAOYSA-N 0 0 315.438 4.596 50 0 DJAARN O=C(Nc1cccnc1Oc1ccccc1)c1cccc(Cl)c1 ZINC000040087985 183032789 /nfs/dbraw/zinc/03/27/89/183032789.db2.gz UISBNHWXFUFWKX-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN CC[C@H](NC(=O)Nc1ccccc1)c1ccccc1OC(F)F ZINC000040088370 183032849 /nfs/dbraw/zinc/03/28/49/183032849.db2.gz KBSALYPKMNLGAE-AWEZNQCLSA-N 0 0 320.339 4.561 50 0 DJAARN COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccccc1Cl ZINC000040095598 183034079 /nfs/dbraw/zinc/03/40/79/183034079.db2.gz PJMKATPYWCVWPC-LBPRGKRZSA-N 0 0 318.804 4.574 50 0 DJAARN Cc1cccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)c1C ZINC000040095340 183034241 /nfs/dbraw/zinc/03/42/41/183034241.db2.gz IVCDLEDCLXOBQH-ZDUSSCGKSA-N 0 0 302.805 4.840 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000040096526 183034270 /nfs/dbraw/zinc/03/42/70/183034270.db2.gz SGRPUJSBTMAWOR-KRWDZBQOSA-N 0 0 314.816 4.800 50 0 DJAARN Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(C)c1 ZINC000040095804 183034320 /nfs/dbraw/zinc/03/43/20/183034320.db2.gz PHEYKWDGIMRUTL-ZDUSSCGKSA-N 0 0 318.367 4.773 50 0 DJAARN CCN(Cc1cccc(F)c1)C(=O)Nc1c(C)cc(C)cc1C ZINC000040095784 183034329 /nfs/dbraw/zinc/03/43/29/183034329.db2.gz YLSCBSZWUBFTRS-UHFFFAOYSA-N 0 0 314.404 4.805 50 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O=C1Nc2ccc(F)cc2/C1=C/c1ccc(Cl)cc1Cl ZINC000000213378 563614292 /nfs/dbraw/zinc/61/42/92/563614292.db2.gz MJWQRVWXRJRQFP-XGICHPGQSA-N 0 0 308.139 4.625 50 0 DJAARN COc1ccc(C)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000044845121 563685693 /nfs/dbraw/zinc/68/56/93/563685693.db2.gz PIPVYQPYTIXBPL-UHFFFAOYSA-N 0 0 304.777 4.609 50 0 DJAARN CSc1nc2ccccc2c(Sc2ccc(F)cc2)n1 ZINC000001392714 563817358 /nfs/dbraw/zinc/81/73/58/563817358.db2.gz JAAWDZUPGITYDU-UHFFFAOYSA-N 0 0 302.399 4.642 50 0 DJAARN Cc1ccc(NC(=O)OCC(Cl)(Cl)Cl)cc1Cl ZINC000002172703 563847172 /nfs/dbraw/zinc/84/71/72/563847172.db2.gz GOFZWEWFHMIEPX-UHFFFAOYSA-N 0 0 316.999 4.567 50 0 DJAARN O=C(Cc1c(Cl)cccc1Cl)O[C@H]1CCc2ccccc21 ZINC000007002622 563901264 /nfs/dbraw/zinc/90/12/64/563901264.db2.gz JWGBXZIOFPVFFJ-INIZCTEOSA-N 0 0 321.203 4.767 50 0 DJAARN CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccco1 ZINC000003185482 563942655 /nfs/dbraw/zinc/94/26/55/563942655.db2.gz QEOAGCKZRKLKDN-HNNXBMFYSA-N 0 0 309.302 4.656 50 0 DJAARN CC(=O)OC1(C(C)(C)C)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000045071450 563961993 /nfs/dbraw/zinc/96/19/93/563961993.db2.gz NXWWRJQHVOMDOM-UHFFFAOYSA-N 0 0 320.473 4.862 50 0 DJAARN Cc1cc(C(=O)Nc2c(C)cccc2OC(F)F)c(C)s1 ZINC000069893396 563955237 /nfs/dbraw/zinc/95/52/37/563955237.db2.gz OATVRKDAAFFLHN-UHFFFAOYSA-N 0 0 311.353 4.527 50 0 DJAARN O=C(Nc1ccccc1F)c1sc2ccccc2c1Cl ZINC000000326516 563241515 /nfs/dbraw/zinc/24/15/15/563241515.db2.gz DDDNOQPQMGMAKQ-UHFFFAOYSA-N 0 0 305.761 4.946 50 0 DJAARN Cc1nc(Cl)sc1C(=O)Nc1cccc2ccccc21 ZINC000000385415 563248877 /nfs/dbraw/zinc/24/88/77/563248877.db2.gz YCVKFKHBXFAGJB-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000000465901 563259528 /nfs/dbraw/zinc/25/95/28/563259528.db2.gz ONJMLJBMSXACHB-SNVBAGLBSA-N 0 0 322.202 4.808 50 0 DJAARN Fc1ccc(OCCSc2nc3ccccc3s2)cc1 ZINC000002812146 563313641 /nfs/dbraw/zinc/31/36/41/563313641.db2.gz SLEYCSJCLZUMJP-UHFFFAOYSA-N 0 0 305.399 4.607 50 0 DJAARN CCN(CC)c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000008382744 563346612 /nfs/dbraw/zinc/34/66/12/563346612.db2.gz HMCTUSDVWOJHPP-UHFFFAOYSA-N 0 0 302.462 4.832 50 0 DJAARN C/C(=C/CO)CC[C@H]1[C@]2(C)CCCC(C)(C)[C@H]2CC[C@]1(C)O ZINC000031155308 560090753 /nfs/dbraw/zinc/09/07/53/560090753.db2.gz LEOHDQKUMQKLMP-PPQBGEPDSA-N 0 0 308.506 4.699 50 0 biogenic,in-vitro DJAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1Cl ZINC000000041392 563211537 /nfs/dbraw/zinc/21/15/37/563211537.db2.gz HJHVXCXUGNXTQE-PRHODGIISA-N 0 0 318.631 4.870 50 0 DJAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000000029046 563211131 /nfs/dbraw/zinc/21/11/31/563211131.db2.gz CRMKVJKQUSDBRH-BJMVGYQFSA-N 0 0 300.789 4.510 50 0 DJAARN COc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000037084 563211309 /nfs/dbraw/zinc/21/13/09/563211309.db2.gz MGVVBFIQBREXGH-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CSc1cccc(C(=O)Nc2cc(F)c(F)cc2Cl)c1 ZINC000000037318 563211419 /nfs/dbraw/zinc/21/14/19/563211419.db2.gz DXFJURQMGIXEPK-UHFFFAOYSA-N 0 0 313.756 4.592 50 0 DJAARN C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1 ZINC000000035997 563211427 /nfs/dbraw/zinc/21/14/27/563211427.db2.gz YHYOZFKTRSUULA-PWSUYJOCSA-N 0 0 314.256 4.938 50 0 DJAARN O=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000042143 563211523 /nfs/dbraw/zinc/21/15/23/563211523.db2.gz HTIXMEYWOVKOOR-UHFFFAOYSA-N 0 0 316.765 4.586 50 0 DJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(F)cc1 ZINC000000038811 563211581 /nfs/dbraw/zinc/21/15/81/563211581.db2.gz KLJQLIOHRAIZSS-UHFFFAOYSA-N 0 0 306.340 4.822 50 0 DJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccs1 ZINC000000051309 563211913 /nfs/dbraw/zinc/21/19/13/563211913.db2.gz ULVMGOVEIWGGKV-UHFFFAOYSA-N 0 0 319.389 4.544 50 0 DJAARN CC[C@H](Sc1ccccn1)C(=O)Nc1cccc2ccccc21 ZINC000000052014 563212044 /nfs/dbraw/zinc/21/20/44/563212044.db2.gz UFGVGGPPLFQSSE-KRWDZBQOSA-N 0 0 322.433 4.744 50 0 DJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1F ZINC000000060794 563212261 /nfs/dbraw/zinc/21/22/61/563212261.db2.gz JAMPQYOGWFSLFZ-UHFFFAOYSA-N 0 0 319.379 4.986 50 0 DJAARN Cc1ccc(C)c(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000000064404 563212504 /nfs/dbraw/zinc/21/25/04/563212504.db2.gz NATNRJAAZQYUKZ-UHFFFAOYSA-N 0 0 324.405 4.899 50 0 DJAARN Cc1ccc2c(c1)CCCN2C(=S)Nc1c(C)cccc1C ZINC000000067382 563212740 /nfs/dbraw/zinc/21/27/40/563212740.db2.gz HVRSWSKJQJBVSG-UHFFFAOYSA-N 0 0 310.466 4.761 50 0 DJAARN Cc1cc(C)cc(CSCC(=O)Nc2c(C)cccc2C)c1 ZINC000000067026 563212891 /nfs/dbraw/zinc/21/28/91/563212891.db2.gz OUEFTGVBIKINHC-UHFFFAOYSA-N 0 0 313.466 4.792 50 0 DJAARN Clc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000000078917 563213872 /nfs/dbraw/zinc/21/38/72/563213872.db2.gz JDBWZSUPCFNSIS-UHFFFAOYSA-N 0 0 321.163 4.622 50 0 DJAARN CC(C)(C)C(=O)OCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000076757 563213907 /nfs/dbraw/zinc/21/39/07/563213907.db2.gz CZGQAAPRJNKZGS-UHFFFAOYSA-N 0 0 309.818 4.553 50 0 DJAARN Cc1ccc(Sc2ncccc2NC(=O)C(C)(C)C)cc1 ZINC000000084098 563214502 /nfs/dbraw/zinc/21/45/02/563214502.db2.gz UTGRFUKIFMCHJX-UHFFFAOYSA-N 0 0 300.427 4.526 50 0 DJAARN OC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000000085767 563214570 /nfs/dbraw/zinc/21/45/70/563214570.db2.gz WWKAKFGJTVATRV-UHFFFAOYSA-N 0 0 320.232 4.806 50 0 DJAARN Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1 ZINC000000095324 563216224 /nfs/dbraw/zinc/21/62/24/563216224.db2.gz CPIDBCGNLZQUOH-UHFFFAOYSA-N 0 0 308.308 4.962 50 0 DJAARN COc1ccc(-c2cc(=O)oc3cc4occ(C)c4cc32)cc1 ZINC000000095322 563216272 /nfs/dbraw/zinc/21/62/72/563216272.db2.gz WJCSSTWNVXULIP-UHFFFAOYSA-N 0 0 306.317 4.523 50 0 biogenic DJAARN O=C(NCc1csc2ccc(Cl)cc12)c1ccc(F)cc1 ZINC000000102949 563217555 /nfs/dbraw/zinc/21/75/55/563217555.db2.gz JZQFHGUDGHPPOE-UHFFFAOYSA-N 0 0 319.788 4.624 50 0 DJAARN COc1ccc(C(=O)c2ccc(-c3cccs3)s2)cc1 ZINC000000108212 563218134 /nfs/dbraw/zinc/21/81/34/563218134.db2.gz DSGBOIUOSAASNW-UHFFFAOYSA-N 0 0 300.404 4.716 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C(F)(F)F)o1 ZINC000000111258 563218870 /nfs/dbraw/zinc/21/88/70/563218870.db2.gz XBNNQZWYLMKWAH-UHFFFAOYSA-N 0 0 303.667 4.513 50 0 DJAARN CCC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000117337 563219821 /nfs/dbraw/zinc/21/98/21/563219821.db2.gz JWMFEXXMVCFWLY-HNNXBMFYSA-N 0 0 318.420 4.820 50 0 DJAARN Cc1ccc(Cc2cnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000000134231 563222226 /nfs/dbraw/zinc/22/22/26/563222226.db2.gz QPNBOUGASBBFNN-UHFFFAOYSA-N 0 0 322.433 4.603 50 0 DJAARN Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1Cl ZINC000000133722 563222234 /nfs/dbraw/zinc/22/22/34/563222234.db2.gz ZVVMAVGPNIFWNF-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN Cc1ccc2oc(-c3cccc(NC(=O)CC(C)C)c3)nc2c1 ZINC000000133600 563222297 /nfs/dbraw/zinc/22/22/97/563222297.db2.gz LWKRCSKNPGRDPC-UHFFFAOYSA-N 0 0 308.381 4.788 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)c1oc2ccccc2c1C ZINC000000136457 563222301 /nfs/dbraw/zinc/22/23/01/563222301.db2.gz HWCCEJOUUDVNOZ-UHFFFAOYSA-N 0 0 315.756 4.656 50 0 DJAARN CCc1ccccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000000133599 563222358 /nfs/dbraw/zinc/22/23/58/563222358.db2.gz LHHJURBPJSCGCZ-UHFFFAOYSA-N 0 0 311.425 4.564 50 0 DJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=S)Nc1cccc(F)c1 ZINC000000138494 563222633 /nfs/dbraw/zinc/22/26/33/563222633.db2.gz IETJHKSEQGKSOZ-KCXAZCMYSA-N 0 0 308.466 4.573 50 0 DJAARN CSc1nc(-c2ccc(Cl)cc2)nc(SC)c1Cl ZINC000000139855 563222818 /nfs/dbraw/zinc/22/28/18/563222818.db2.gz QZEHOIREYUTUHL-UHFFFAOYSA-N 0 0 317.266 4.894 50 0 DJAARN CCOc1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000149130 563224598 /nfs/dbraw/zinc/22/45/98/563224598.db2.gz WIROQENNMCIDAH-UHFFFAOYSA-N 0 0 311.164 4.611 50 0 DJAARN COc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000149945 563224600 /nfs/dbraw/zinc/22/46/00/563224600.db2.gz NOPIXIBYBNMOPE-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN Cc1[nH]c2ccccc2c1-c1csc(-c2ccc(O)cc2)n1 ZINC000000152216 563225069 /nfs/dbraw/zinc/22/50/69/563225069.db2.gz HDAJCYCZNYTGIK-UHFFFAOYSA-N 0 0 306.390 4.972 50 0 DJAARN CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000000155781 563225968 /nfs/dbraw/zinc/22/59/68/563225968.db2.gz DHDCMNIOCDRNDG-UHFFFAOYSA-N 0 0 300.324 4.502 50 0 DJAARN Cc1ccc2nc(-c3ccccc3)nc(-c3ccc(N)cc3)c2c1 ZINC000000178562 563228629 /nfs/dbraw/zinc/22/86/29/563228629.db2.gz MPTTUTWOANWBIQ-UHFFFAOYSA-N 0 0 311.388 4.854 50 0 DJAARN O=c1sc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000000185204 563229074 /nfs/dbraw/zinc/22/90/74/563229074.db2.gz VFRASKRRSLLUDE-UHFFFAOYSA-N 0 0 323.204 4.707 50 0 DJAARN COc1ccc(CCCC(=O)Nc2cc(C)ccc2C)cc1C ZINC000000237597 563232263 /nfs/dbraw/zinc/23/22/63/563232263.db2.gz VNNXZRNOKJBZMB-UHFFFAOYSA-N 0 0 311.425 4.582 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1C[C@H]1c1ccccc1 ZINC000000242432 563232892 /nfs/dbraw/zinc/23/28/92/563232892.db2.gz PMVVYVDLBPTMTH-STQMWFEESA-N 0 0 306.192 4.736 50 0 DJAARN Brc1cccc(-c2nc(C3CCCCC3)no2)c1 ZINC000000247663 563233521 /nfs/dbraw/zinc/23/35/21/563233521.db2.gz ZNFPNIWHOHVHEU-UHFFFAOYSA-N 0 0 307.191 4.547 50 0 DJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000000281560 563235935 /nfs/dbraw/zinc/23/59/35/563235935.db2.gz HLIRGJSKFKWMHE-QWHCGFSZSA-N 0 0 319.857 4.698 50 0 DJAARN COc1cccc2oc(-c3ccccc3)c(Br)c21 ZINC000000285577 563236050 /nfs/dbraw/zinc/23/60/50/563236050.db2.gz ZCWHIQUZPCNEFL-UHFFFAOYSA-N 0 0 303.155 4.871 50 0 DJAARN O=C(Nc1cccc2ccccc21)N1CCCc2ccccc21 ZINC000000287222 563236088 /nfs/dbraw/zinc/23/60/88/563236088.db2.gz PGPXCUQBWGLZMY-UHFFFAOYSA-N 0 0 302.377 4.825 50 0 DJAARN O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000292809 563236595 /nfs/dbraw/zinc/23/65/95/563236595.db2.gz PTHTXCJHLYXEMB-UHFFFAOYSA-N 0 0 316.404 4.921 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]1c1ccccc1 ZINC000000292835 563236596 /nfs/dbraw/zinc/23/65/96/563236596.db2.gz PMVVYVDLBPTMTH-QWHCGFSZSA-N 0 0 306.192 4.736 50 0 DJAARN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000000303034 563238032 /nfs/dbraw/zinc/23/80/32/563238032.db2.gz ZWHOAICOSOGMOS-GFCCVEGCSA-N 0 0 307.315 4.838 50 0 DJAARN CC(C)CCSc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000000302276 563238052 /nfs/dbraw/zinc/23/80/52/563238052.db2.gz ZQBOAAYKCVHBFT-SNVBAGLBSA-N 0 0 321.515 4.537 50 0 DJAARN S=c1cc(-c2ccccc2)nc(SCc2ccccc2)[nH]1 ZINC000000314239 563240273 /nfs/dbraw/zinc/24/02/73/563240273.db2.gz KPFGJDUYQUZZBU-UHFFFAOYSA-N 0 0 310.447 4.725 50 0 DJAARN CC(C)(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1 ZINC000000313978 563240323 /nfs/dbraw/zinc/24/03/23/563240323.db2.gz JTZZGFZDLWQPMO-UHFFFAOYSA-N 0 0 319.813 4.867 50 0 aggregator DJAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)c1 ZINC000000315590 563240446 /nfs/dbraw/zinc/24/04/46/563240446.db2.gz MXLAIUPLQPYNDL-JLHYYAGUSA-N 0 0 321.420 4.839 50 0 DJAARN Cc1c(NC(=O)CC(C)C)cccc1-c1nc2ccccc2o1 ZINC000000317039 563240730 /nfs/dbraw/zinc/24/07/30/563240730.db2.gz UFMPEUGDMCWGLR-UHFFFAOYSA-N 0 0 308.381 4.788 50 0 DJAARN Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1Cl ZINC000000319146 563240758 /nfs/dbraw/zinc/24/07/58/563240758.db2.gz IBEKTVWCDWAMCI-UHFFFAOYSA-N 0 0 303.789 4.688 50 0 DJAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000000319104 563240831 /nfs/dbraw/zinc/24/08/31/563240831.db2.gz GCPNLUVXNFKONS-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CCOc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000318889 563240957 /nfs/dbraw/zinc/24/09/57/563240957.db2.gz HFHIHRULAJGFGO-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN CSc1sc(SC)c(SC)c1Br ZINC000000334501 563241502 /nfs/dbraw/zinc/24/15/02/563241502.db2.gz AZSSRRDLWICHFK-UHFFFAOYSA-N 0 0 301.321 4.676 50 0 DJAARN CC(C)(C)[C@H](/C=C/c1ccc(Cl)c(Cl)c1Cl)NC=O ZINC000000333672 563241401 /nfs/dbraw/zinc/24/14/01/563241401.db2.gz DGGKABXQVJYUBF-ZRQQLDRUSA-N 0 0 320.647 4.821 50 0 DJAARN CC[C@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000000337773 563242153 /nfs/dbraw/zinc/24/21/53/563242153.db2.gz PPFLKHWWHRXPIH-HNNXBMFYSA-N 0 0 318.214 4.581 50 0 DJAARN CC[C@H](C)Cn1c(COc2ccc(OC)cc2)nc2ccccc21 ZINC000000352686 563243786 /nfs/dbraw/zinc/24/37/86/563243786.db2.gz NACOZGDUTOPTHQ-HNNXBMFYSA-N 0 0 324.424 4.670 50 0 DJAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000000356116 563243841 /nfs/dbraw/zinc/24/38/41/563243841.db2.gz FYMPJSJRIYPKHY-GFCCVEGCSA-N 0 0 324.449 4.800 50 0 DJAARN Fc1ccc(CNc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000000360390 563244328 /nfs/dbraw/zinc/24/43/28/563244328.db2.gz UTEQGOKORIAACW-UHFFFAOYSA-N 0 0 317.367 4.981 50 0 DJAARN Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000361567 563244675 /nfs/dbraw/zinc/24/46/75/563244675.db2.gz PBFUUUJNYDXACC-UHFFFAOYSA-N 0 0 305.830 4.688 50 0 DJAARN CC(=O)c1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000362019 563244909 /nfs/dbraw/zinc/24/49/09/563244909.db2.gz SVADXMBEHYZPGI-UHFFFAOYSA-N 0 0 324.163 4.807 50 0 DJAARN Cc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000000363546 563245395 /nfs/dbraw/zinc/24/53/95/563245395.db2.gz FUFHCRBDJYXDFA-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000000364973 563245897 /nfs/dbraw/zinc/24/58/97/563245897.db2.gz FJHJFHNYKRCRBL-CQSZACIVSA-N 0 0 317.816 4.671 50 0 DJAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000000370817 563246514 /nfs/dbraw/zinc/24/65/14/563246514.db2.gz QFLCRQVMZBBZFL-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000000379532 563247779 /nfs/dbraw/zinc/24/77/79/563247779.db2.gz JTOGBZVUJADAPY-GFCCVEGCSA-N 0 0 305.830 4.600 50 0 DJAARN O=C(CCc1ccccc1)Nc1nc2ccc(Cl)cc2s1 ZINC000000383542 563248363 /nfs/dbraw/zinc/24/83/63/563248363.db2.gz JJJXGCMBIWEUDL-UHFFFAOYSA-N 0 0 316.813 4.521 50 0 DJAARN Cc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000000385295 563248936 /nfs/dbraw/zinc/24/89/36/563248936.db2.gz LBJNNZHQVNJRJO-UHFFFAOYSA-N 0 0 304.271 4.731 50 0 DJAARN Cc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000000386396 563249239 /nfs/dbraw/zinc/24/92/39/563249239.db2.gz JRUUQXBDIKAAIZ-UHFFFAOYSA-N 0 0 311.715 4.502 50 0 DJAARN Cc1sc2ncnc(N3CCCCC3)c2c1-c1ccccc1 ZINC000000390121 563249306 /nfs/dbraw/zinc/24/93/06/563249306.db2.gz ZAJOYZHJNLEJQO-UHFFFAOYSA-N 0 0 309.438 4.657 50 0 DJAARN CN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000000395454 563249953 /nfs/dbraw/zinc/24/99/53/563249953.db2.gz YIIHCBJIZJRFQZ-UHFFFAOYSA-N 0 0 301.217 4.790 50 0 DJAARN CN(C(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000000395461 563249987 /nfs/dbraw/zinc/24/99/87/563249987.db2.gz PCQNYDPIAPVPII-UHFFFAOYSA-N 0 0 301.217 4.790 50 0 DJAARN C[C@@H]1CCCC[C@@H]1OC(=O)Nc1cccc(Br)c1 ZINC000000398177 563250547 /nfs/dbraw/zinc/25/05/47/563250547.db2.gz FSTGGTMUTDSHKA-MFKMUULPSA-N 0 0 312.207 4.576 50 0 DJAARN C[C@H]1CCCC[C@H]1OC(=O)Nc1cccc(Br)c1 ZINC000000398174 563250650 /nfs/dbraw/zinc/25/06/50/563250650.db2.gz FSTGGTMUTDSHKA-GXFFZTMASA-N 0 0 312.207 4.576 50 0 DJAARN O=C(Nc1cccc2c(O)cccc12)c1cccc2ccccc21 ZINC000000409101 563252041 /nfs/dbraw/zinc/25/20/41/563252041.db2.gz VMMMZZGQEIWCMX-UHFFFAOYSA-N 0 0 313.356 4.951 50 0 DJAARN Cc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000000443127 563254610 /nfs/dbraw/zinc/25/46/10/563254610.db2.gz WAQFLMYJTRCTAG-UHFFFAOYSA-N 0 0 304.271 4.731 50 0 DJAARN CC(C)CC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000000441718 563254666 /nfs/dbraw/zinc/25/46/66/563254666.db2.gz CYPIODYZJMGVNH-UHFFFAOYSA-N 0 0 310.422 4.948 50 0 DJAARN Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1C ZINC000000443889 563254973 /nfs/dbraw/zinc/25/49/73/563254973.db2.gz JHFALCZYMJJJSM-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN CCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000444379 563254993 /nfs/dbraw/zinc/25/49/93/563254993.db2.gz MZBFNRGUOAYCHB-UHFFFAOYSA-N 0 0 324.424 4.585 50 0 DJAARN CC(C)COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000447539 563255647 /nfs/dbraw/zinc/25/56/47/563255647.db2.gz XZOCYZWDDOEEAW-UHFFFAOYSA-N 0 0 303.789 4.627 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1Cl ZINC000000449820 563256073 /nfs/dbraw/zinc/25/60/73/563256073.db2.gz ARNYQJIJUGKCGZ-RMKNXTFCSA-N 0 0 322.191 4.654 50 0 DJAARN CCc1ccc(OC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000000453257 563256706 /nfs/dbraw/zinc/25/67/06/563256706.db2.gz JALHTFJKNSQSFK-UHFFFAOYSA-N 0 0 319.198 4.539 50 0 DJAARN Cc1ccc(NC(=O)CSCc2ccccc2C)cc1Cl ZINC000000452280 563256810 /nfs/dbraw/zinc/25/68/10/563256810.db2.gz UICPJHPEAKQWOL-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)c1 ZINC000000455015 563257123 /nfs/dbraw/zinc/25/71/23/563257123.db2.gz KKNBQCIDWRMNIV-UHFFFAOYSA-N 0 0 308.377 4.606 50 0 DJAARN Cc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000000455229 563257211 /nfs/dbraw/zinc/25/72/11/563257211.db2.gz HWIXGWZREZMKQH-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1cccc(Cl)c1 ZINC000000456715 563257808 /nfs/dbraw/zinc/25/78/08/563257808.db2.gz CQCYSFZXWGZZIV-UHFFFAOYSA-N 0 0 307.780 4.844 50 0 DJAARN CC(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000000459402 563258426 /nfs/dbraw/zinc/25/84/26/563258426.db2.gz YZEWDRBFMLRBMT-UHFFFAOYSA-N 0 0 314.768 4.901 50 0 DJAARN Cc1ccc(C)c(NC(=O)/C=C/c2c(F)cccc2Cl)c1 ZINC000000461727 563259008 /nfs/dbraw/zinc/25/90/08/563259008.db2.gz UOZKZAFENOLEFP-CMDGGOBGSA-N 0 0 303.764 4.748 50 0 DJAARN Cc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1C ZINC000000461661 563259204 /nfs/dbraw/zinc/25/92/04/563259204.db2.gz SKVVZVLYBWMQGL-UHFFFAOYSA-N 0 0 308.208 4.540 50 0 DJAARN Cc1cccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)c1 ZINC000000471857 563260666 /nfs/dbraw/zinc/26/06/66/563260666.db2.gz VMNKLAFFDNAFNF-LBPRGKRZSA-N 0 0 314.772 4.838 50 0 DJAARN Cc1ccccc1OCC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000000471729 563260671 /nfs/dbraw/zinc/26/06/71/563260671.db2.gz WPDRFEPBPPUJBI-UHFFFAOYSA-N 0 0 317.388 4.680 50 0 DJAARN C[C@H]1Cc2ccccc2N1C(=O)Nc1cccc2ccccc21 ZINC000000471916 563260780 /nfs/dbraw/zinc/26/07/80/563260780.db2.gz YSXNTEGLHYVLIH-AWEZNQCLSA-N 0 0 302.377 4.823 50 0 DJAARN O=C(CCSc1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000000473020 563261067 /nfs/dbraw/zinc/26/10/67/563261067.db2.gz PEADXHBYSBWAIK-UHFFFAOYSA-N 0 0 309.793 4.600 50 0 DJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000000474380 563261694 /nfs/dbraw/zinc/26/16/94/563261694.db2.gz RDQYXGPBZJKNQJ-IBGZPJMESA-N 0 0 305.377 4.636 50 0 DJAARN Cc1csc(NC(=O)c2sc3cc(C)ccc3c2Cl)n1 ZINC000000474391 563261843 /nfs/dbraw/zinc/26/18/43/563261843.db2.gz JJWBEVTZHPYOFR-UHFFFAOYSA-N 0 0 322.842 4.880 50 0 DJAARN CCc1cc(=O)oc2cc(OCc3cc(C)cc(C)c3)ccc12 ZINC000000477271 563262326 /nfs/dbraw/zinc/26/23/26/563262326.db2.gz WHUNXJIPDIDHOH-UHFFFAOYSA-N 0 0 308.377 4.551 50 0 biogenic DJAARN O=C(OCc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000000478135 563262375 /nfs/dbraw/zinc/26/23/75/563262375.db2.gz IVCGFCMABFUGKT-UHFFFAOYSA-N 0 0 318.372 4.623 50 0 DJAARN c1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000513221 563264235 /nfs/dbraw/zinc/26/42/35/563264235.db2.gz MEIMMRRAQLHVQI-UHFFFAOYSA-N 0 0 313.404 4.697 50 0 DJAARN Clc1cccc(-c2nnc3sc(C4CCCCC4)nn32)c1 ZINC000000530435 563264795 /nfs/dbraw/zinc/26/47/95/563264795.db2.gz PYXUVYKTJHCQND-UHFFFAOYSA-N 0 0 318.833 4.554 50 0 DJAARN O=C(c1ccccc1)[C@@H](Sc1ccccn1)c1ccccc1 ZINC000000523520 563264850 /nfs/dbraw/zinc/26/48/50/563264850.db2.gz PAYMAMGOURTVBL-IBGZPJMESA-N 0 0 305.402 4.798 50 0 DJAARN Cc1cccc(OCCn2c3ccccc3nc2-c2ccco2)c1 ZINC000000572373 563267697 /nfs/dbraw/zinc/26/76/97/563267697.db2.gz BBPWBMDFUSQAJR-UHFFFAOYSA-N 0 0 318.376 4.684 50 0 DJAARN COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)c(C)c1 ZINC000000609951 563268876 /nfs/dbraw/zinc/26/88/76/563268876.db2.gz IEOVSTPTNOYHEH-UHFFFAOYSA-N 0 0 324.808 4.605 50 0 DJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCCCC1 ZINC000000612541 563269436 /nfs/dbraw/zinc/26/94/36/563269436.db2.gz JHONAPMJILOIES-UHFFFAOYSA-N 0 0 309.413 4.884 50 0 DJAARN Cc1cc(O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000621192 563271065 /nfs/dbraw/zinc/27/10/65/563271065.db2.gz HOXVNWLBMMFAGI-UHFFFAOYSA-N 0 0 303.361 4.620 50 0 DJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCC1 ZINC000000712221 563271090 /nfs/dbraw/zinc/27/10/90/563271090.db2.gz QNXXWUCWZJDNQL-UHFFFAOYSA-N 0 0 320.742 4.813 50 0 DJAARN CC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000000860047 563272504 /nfs/dbraw/zinc/27/25/04/563272504.db2.gz POSHBEZYLLYQQX-UHFFFAOYSA-N 0 0 323.436 4.706 50 0 DJAARN CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000977159 563273332 /nfs/dbraw/zinc/27/33/32/563273332.db2.gz BLNIYEIMTLMHGY-DLBZAZTESA-N 0 0 309.453 4.866 50 0 in-vitro DJAARN Cc1cccc(NC(=O)Nc2ccc(C)cc2Br)c1 ZINC000001001911 563273679 /nfs/dbraw/zinc/27/36/79/563273679.db2.gz HTLHALYMZUFPGM-UHFFFAOYSA-N 0 0 319.202 4.710 50 0 aggregator DJAARN Cc1ccccc1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000999096 563273728 /nfs/dbraw/zinc/27/37/28/563273728.db2.gz DEMZNUWMMQSJGP-UHFFFAOYSA-N 0 0 302.373 4.733 50 0 DJAARN Cc1ccc(CNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000001006432 563274646 /nfs/dbraw/zinc/27/46/46/563274646.db2.gz VLJFQBGFENNKCK-QGZVFWFLSA-N 0 0 309.453 4.613 50 0 DJAARN Nc1nc2c(s1)sc(C(F)(F)F)c2-c1ccccc1 ZINC000001039660 563275013 /nfs/dbraw/zinc/27/50/13/563275013.db2.gz PSICCWMMNVLSGM-UHFFFAOYSA-N 0 0 300.330 4.626 50 0 DJAARN CCC[C@H](C)c1nnc(NC(=O)[C@H](CC)c2ccccc2)s1 ZINC000001049229 563275667 /nfs/dbraw/zinc/27/56/67/563275667.db2.gz JGOKEOFDSDHPIL-GXTWGEPZSA-N 0 0 317.458 4.574 50 0 DJAARN Cc1ccc(C(=O)c2cccc(C(=O)c3ccc(C)cc3)c2)cc1 ZINC000001056672 563276396 /nfs/dbraw/zinc/27/63/96/563276396.db2.gz FIALLYBQVILKOF-UHFFFAOYSA-N 0 0 314.384 4.765 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000001055107 563276575 /nfs/dbraw/zinc/27/65/75/563276575.db2.gz YZHCRRJMSSLVGT-UHFFFAOYSA-N 0 0 319.735 4.981 50 0 DJAARN O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCCCCC1 ZINC000001129203 563277900 /nfs/dbraw/zinc/27/79/00/563277900.db2.gz AIAXTYMOJCWACZ-LVZFUZTISA-N 0 0 305.421 4.630 50 0 DJAARN O=C(NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001180444 563278707 /nfs/dbraw/zinc/27/87/07/563278707.db2.gz LFBMDZGCOBHVQK-UHFFFAOYSA-N 0 0 311.768 4.530 50 0 DJAARN Cc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000001228357 563279881 /nfs/dbraw/zinc/27/98/81/563279881.db2.gz RYLRRQXEIXQGGF-UHFFFAOYSA-N 0 0 315.416 4.838 50 0 DJAARN CCc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCC2=O)cc1 ZINC000001233912 563279912 /nfs/dbraw/zinc/27/99/12/563279912.db2.gz AWOPOQBQEGLCQH-UXHICEINSA-N 0 0 320.432 4.975 50 0 DJAARN C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001230080 563280044 /nfs/dbraw/zinc/28/00/44/563280044.db2.gz ILTZASUXYCBBMI-QGZVFWFLSA-N 0 0 315.416 4.696 50 0 DJAARN Cc1ccc(SCC(=O)CSc2ccc(C)cc2)cc1 ZINC000001385785 563281495 /nfs/dbraw/zinc/28/14/95/563281495.db2.gz CFVGFCQZWZWILS-UHFFFAOYSA-N 0 0 302.464 4.757 50 0 DJAARN Cc1cc(C(=O)CSc2ccc(Cl)cc2)cc(C)c1O ZINC000001397537 563282323 /nfs/dbraw/zinc/28/23/23/563282323.db2.gz XGJHKZZAVJYXLI-UHFFFAOYSA-N 0 0 306.814 4.637 50 0 DJAARN CCCCOC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000001770659 563295007 /nfs/dbraw/zinc/29/50/07/563295007.db2.gz VKMVNTOHQPXYML-UHFFFAOYSA-N 0 0 319.401 4.525 50 0 DJAARN CCc1ccc(OCCCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000001773424 563295234 /nfs/dbraw/zinc/29/52/34/563295234.db2.gz HZKHMNSRRDLBOL-UHFFFAOYSA-N 0 0 311.425 4.664 50 0 DJAARN Clc1ccc(OCCSCc2nc3ccccc3[nH]2)cc1 ZINC000001805680 563296452 /nfs/dbraw/zinc/29/64/52/563296452.db2.gz TUCOUWWLEOPGOS-UHFFFAOYSA-N 0 0 318.829 4.529 50 0 DJAARN COc1ccccc1C=C1c2ccccc2C(=O)c2ccccc21 ZINC000002162195 563300831 /nfs/dbraw/zinc/30/08/31/563300831.db2.gz SWZMHJUFJLXEIX-UHFFFAOYSA-N 0 0 312.368 4.829 50 0 DJAARN CCOC(=O)CCCCCCC(=O)c1ccc2ccccc2c1 ZINC000002378951 563302991 /nfs/dbraw/zinc/30/29/91/563302991.db2.gz JVIRNBRQQNNAKD-UHFFFAOYSA-N 0 0 312.409 4.926 50 0 DJAARN CCCCSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000002361613 563303023 /nfs/dbraw/zinc/30/30/23/563303023.db2.gz DDFKNNMOBDCTJX-UHFFFAOYSA-N 0 0 324.449 4.586 50 0 DJAARN CCN(CC)c1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000002493695 563304466 /nfs/dbraw/zinc/30/44/66/563304466.db2.gz QIJDRAYUFOYVAT-UHFFFAOYSA-N 0 0 303.409 4.657 50 0 DJAARN COc1ccc(CCC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000002516572 563306596 /nfs/dbraw/zinc/30/65/96/563306596.db2.gz OZZAKUMQPICKAD-UHFFFAOYSA-N 0 0 308.299 4.530 50 0 DJAARN Cc1ccc(C(=O)CCc2ccc(Br)cc2)cc1C ZINC000002516769 563306643 /nfs/dbraw/zinc/30/66/43/563306643.db2.gz MLNOIROVDWCITO-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN COc1ccc(CCC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000002516579 563306751 /nfs/dbraw/zinc/30/67/51/563306751.db2.gz IYRUFZCZHPXXPB-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN Cc1ccc(CCC(=O)c2cccc(Br)c2)c(C)c1 ZINC000002517486 563307236 /nfs/dbraw/zinc/30/72/36/563307236.db2.gz CVNSJDFPOBBIIN-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN COc1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 ZINC000002522041 563307798 /nfs/dbraw/zinc/30/77/98/563307798.db2.gz VJOXCONJBHSZNU-UHFFFAOYSA-N 0 0 305.377 4.533 50 0 DJAARN Cc1cccc(NC(=O)c2c(N)sc3c2CCCCCC3)c1 ZINC000002558517 563309100 /nfs/dbraw/zinc/30/91/00/563309100.db2.gz PYHBHSFNJCBCSH-UHFFFAOYSA-N 0 0 314.454 4.550 50 0 DJAARN COc1ccc(C=O)cc1COc1cc(C)ccc1C(C)(C)C ZINC000002557869 563309174 /nfs/dbraw/zinc/30/91/74/563309174.db2.gz YZFSXKZFGBCXBL-UHFFFAOYSA-N 0 0 312.409 4.693 50 0 DJAARN O=Cc1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002558306 563309230 /nfs/dbraw/zinc/30/92/30/563309230.db2.gz FIGTVGQJUDUQHH-UHFFFAOYSA-N 0 0 314.690 4.750 50 0 DJAARN CCc1ccc(-c2ccc(I)cc2)cc1 ZINC000002585508 563310182 /nfs/dbraw/zinc/31/01/82/563310182.db2.gz DUQFCMVIJVWQMX-UHFFFAOYSA-N 0 0 308.162 4.521 50 0 DJAARN CCCCCCc1ccc(C(=O)CCCC(=O)OCC)cc1 ZINC000002580380 563310463 /nfs/dbraw/zinc/31/04/63/563310463.db2.gz HSCOTGAWAQGWRQ-UHFFFAOYSA-N 0 0 304.430 4.726 50 0 DJAARN Cc1cc2ncn(CCCOc3ccc(Cl)cc3)c2cc1C ZINC000002666088 563311144 /nfs/dbraw/zinc/31/11/44/563311144.db2.gz HNEZDDOXQIDSBS-UHFFFAOYSA-N 0 0 314.816 4.776 50 0 DJAARN O=C(Cc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl ZINC000002749956 563312589 /nfs/dbraw/zinc/31/25/89/563312589.db2.gz XQCUAPRLQBGARQ-UHFFFAOYSA-N 0 0 314.599 4.828 50 0 DJAARN CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000002753011 563312593 /nfs/dbraw/zinc/31/25/93/563312593.db2.gz RSEBUJYONFJLKO-UHFFFAOYSA-N 0 0 319.404 4.559 50 0 DJAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000002790425 563313034 /nfs/dbraw/zinc/31/30/34/563313034.db2.gz ARZVSFDKWAYQAW-SNVBAGLBSA-N 0 0 322.202 4.808 50 0 DJAARN CCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002811334 563313753 /nfs/dbraw/zinc/31/37/53/563313753.db2.gz JRVARPSKUQCFOG-UHFFFAOYSA-N 0 0 305.377 4.881 50 0 DJAARN CCCCc1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000002836185 563314262 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Cc1oc(C)c(C(=O)N[C@@H](C)c2cccc3ccccc32)c1C ZINC000032808770 563395354 /nfs/dbraw/zinc/39/53/54/563395354.db2.gz ZATHKSFUMDNRBE-ZDUSSCGKSA-N 0 0 307.393 4.849 50 0 DJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000014232388 563398924 /nfs/dbraw/zinc/39/89/24/563398924.db2.gz PCUVVDPJOBYXRL-HZPDHXFCSA-N 0 0 309.409 4.597 50 0 DJAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C1CCCCC1 ZINC000014244809 563399085 /nfs/dbraw/zinc/39/90/85/563399085.db2.gz TVUUNJIIVRQMAW-CQSZACIVSA-N 0 0 309.862 4.573 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000014400849 563400497 /nfs/dbraw/zinc/40/04/97/563400497.db2.gz XUVIDGWMJLMGGS-UHFFFAOYSA-N 0 0 322.452 4.854 50 0 DJAARN Cc1ccc(C)c([C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000014573622 563400885 /nfs/dbraw/zinc/40/08/85/563400885.db2.gz BZCZFJPARQSWQF-SIHNGCNOSA-N 0 0 311.469 4.697 50 0 DJAARN CCn1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c2ccccc21 ZINC000032841885 563401723 /nfs/dbraw/zinc/40/17/23/563401723.db2.gz BORQPVMVEMIFSR-AWEZNQCLSA-N 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WWKINXJSNTWJCC-CYBMUJFWSA-N 0 0 323.223 4.660 50 0 DJAARN CCC[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 ZINC000032903446 563410097 /nfs/dbraw/zinc/41/00/97/563410097.db2.gz WWKINXJSNTWJCC-ZDUSSCGKSA-N 0 0 323.223 4.660 50 0 DJAARN Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000071926980 563410155 /nfs/dbraw/zinc/41/01/55/563410155.db2.gz NTWAQBGTIRPLSJ-CFVMTHIKSA-N 0 0 320.502 4.616 50 0 DJAARN C[C@H](SCc1ccccc1Cl)C(=O)Nc1ccccc1F ZINC000032907781 563410732 /nfs/dbraw/zinc/41/07/32/563410732.db2.gz VTDOZMOOCKFOAO-NSHDSACASA-N 0 0 323.820 4.740 50 0 DJAARN C[C@@H](S[C@@H](C)C(=O)Nc1ccccc1F)c1ccccc1 ZINC000032907803 563410917 /nfs/dbraw/zinc/41/09/17/563410917.db2.gz CFKTYKVQKLUAMK-OLZOCXBDSA-N 0 0 303.402 4.647 50 0 DJAARN COc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000000286483 563413580 /nfs/dbraw/zinc/41/35/80/563413580.db2.gz GVALSXYCLDABKT-UHFFFAOYSA-N 0 0 303.361 4.674 50 0 DJAARN Cc1ccc(C)c(-c2csc(NC(=O)C[C@@H]3C=CCC3)n2)c1 ZINC000020016684 563416387 /nfs/dbraw/zinc/41/63/87/563416387.db2.gz MLIVHWZIIWLVAZ-CQSZACIVSA-N 0 0 312.438 4.722 50 0 DJAARN Cc1ccc(C)c(OCCCC(C)(C)C(=O)OCC(C)C)c1 ZINC000021298080 563417458 /nfs/dbraw/zinc/41/74/58/563417458.db2.gz REPYTKNMHNVOPH-UHFFFAOYSA-N 0 0 306.446 4.688 50 0 DJAARN CCCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000025425872 563423086 /nfs/dbraw/zinc/42/30/86/563423086.db2.gz PVEWCLLMXUZIEH-UHFFFAOYSA-N 0 0 323.314 4.638 50 0 DJAARN CC(C)C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025583222 563423489 /nfs/dbraw/zinc/42/34/89/563423489.db2.gz QRSRRKFEYGMLGP-QUCCMNQESA-N 0 0 324.399 4.741 50 0 DJAARN O=C(Nc1cccc2ccccc21)N1CCC[C@H](C(F)(F)F)C1 ZINC000011003645 563425197 /nfs/dbraw/zinc/42/51/97/563425197.db2.gz ITVIUQVVVPTZHC-ZDUSSCGKSA-N 0 0 322.330 4.646 50 0 DJAARN COc1ccccc1OCc1coc(-c2cccc(Cl)c2)n1 ZINC000026776783 563426521 /nfs/dbraw/zinc/42/65/21/563426521.db2.gz GPJLJZGPJUUPIM-UHFFFAOYSA-N 0 0 315.756 4.583 50 0 DJAARN Cc1ccc(SCc2noc(-c3ccc(F)cc3)n2)c(C)c1 ZINC000027444882 563428078 /nfs/dbraw/zinc/42/80/78/563428078.db2.gz PEHZZHPYZSHBLU-UHFFFAOYSA-N 0 0 314.385 4.785 50 0 DJAARN O=C(c1cccs1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795279 563430098 /nfs/dbraw/zinc/43/00/98/563430098.db2.gz HOUGESBMKSHVOG-UHFFFAOYSA-N 0 0 317.797 4.842 50 0 DJAARN CC(C)Cc1ccc([C@H](C)c2n[nH]c(=S)n2C2CC2)cc1 ZINC000028295966 563431668 /nfs/dbraw/zinc/43/16/68/563431668.db2.gz OIOANPBLSGJLNJ-LBPRGKRZSA-N 0 0 301.459 4.626 50 0 DJAARN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](c2ccccc2)c2ccccn2)o1 ZINC000028307414 563431684 /nfs/dbraw/zinc/43/16/84/563431684.db2.gz JMZMXPXOOCUCRF-YWMUFLPLSA-N 0 0 318.420 4.677 50 0 DJAARN C[C@H](Sc1ccc(Cl)cc1)c1nc(-c2ccco2)no1 ZINC000029738111 563435108 /nfs/dbraw/zinc/43/51/08/563435108.db2.gz INKOEXUVIVSWLJ-VIFPVBQESA-N 0 0 306.774 4.836 50 0 DJAARN CCCCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000003079733 563439936 /nfs/dbraw/zinc/43/99/36/563439936.db2.gz SIXLTNKKPGSFGG-UHFFFAOYSA-N 0 0 303.789 4.771 50 0 DJAARN COC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000034020089 563446316 /nfs/dbraw/zinc/44/63/16/563446316.db2.gz RNXQZVFWKIPEOJ-UHFFFAOYSA-N 0 0 321.351 4.705 50 0 in-vitro DJAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccco1 ZINC000000063395 563447046 /nfs/dbraw/zinc/44/70/46/563447046.db2.gz GDNNVHCDUOKQTI-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN Cc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1 ZINC000000465109 563448144 /nfs/dbraw/zinc/44/81/44/563448144.db2.gz DVAOJLNQXFAJRO-UHFFFAOYSA-N 0 0 322.433 4.664 50 0 DJAARN CCN(CC)c1cc(Cl)c(C(=O)c2ccccc2)cc1F ZINC000000472934 563448304 /nfs/dbraw/zinc/44/83/04/563448304.db2.gz WGOQYJGYSMZXMI-UHFFFAOYSA-N 0 0 305.780 4.556 50 0 DJAARN O=C(/C=C/c1cccs1)Nc1nc(-c2cccs2)cs1 ZINC000002674842 563449040 /nfs/dbraw/zinc/44/90/40/563449040.db2.gz GYPZEWBRWNRKNB-AATRIKPKSA-N 0 0 318.448 4.585 50 0 DJAARN CCc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1OC)N2 ZINC000035360423 563450506 /nfs/dbraw/zinc/45/05/06/563450506.db2.gz JSDGFFUVLZVHDB-TYCQWZJGSA-N 0 0 323.436 4.892 50 0 DJAARN Cc1cccc([C@H]2CCCCCN2C(=O)NC2CCCCC2)c1 ZINC000035561604 563453175 /nfs/dbraw/zinc/45/31/75/563453175.db2.gz PFAIRYBOLURBEP-LJQANCHMSA-N 0 0 314.473 4.954 50 0 DJAARN CC(C)CNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000035561847 563453182 /nfs/dbraw/zinc/45/31/82/563453182.db2.gz WWUVGWIUJMFDAG-MRXNPFEDSA-N 0 0 308.853 4.623 50 0 DJAARN CC(C)CNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000035561848 563453511 /nfs/dbraw/zinc/45/35/11/563453511.db2.gz WWUVGWIUJMFDAG-INIZCTEOSA-N 0 0 308.853 4.623 50 0 DJAARN CC1(C)C=Cc2cc(-c3noc(-c4cccs4)n3)ccc2O1 ZINC000036049449 563454932 /nfs/dbraw/zinc/45/49/32/563454932.db2.gz IRVBVPXSNMBSEP-UHFFFAOYSA-N 0 0 310.378 4.649 50 0 DJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000036620766 563455967 /nfs/dbraw/zinc/45/59/67/563455967.db2.gz SLROWHYREHWCQW-SFHVURJKSA-N 0 0 324.424 4.763 50 0 DJAARN C[C@H](NC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000032978401 563456959 /nfs/dbraw/zinc/45/69/59/563456959.db2.gz LGONHTUKYCCELJ-HNNXBMFYSA-N 0 0 321.445 4.835 50 0 DJAARN Cc1cccc(O[C@H](C)C(=O)Oc2cccc3ccccc32)c1 ZINC000032980260 563458259 /nfs/dbraw/zinc/45/82/59/563458259.db2.gz VMQHZIJCCSLYKG-OAHLLOKOSA-N 0 0 306.361 4.521 50 0 DJAARN CCCCN(C(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000032994320 563458548 /nfs/dbraw/zinc/45/85/48/563458548.db2.gz LNLKZIPMGLCZGZ-UHFFFAOYSA-N 0 0 304.393 4.682 50 0 DJAARN Cc1cc(C)cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1 ZINC000032994580 563458688 /nfs/dbraw/zinc/45/86/88/563458688.db2.gz WECCCYKEKGKABX-UHFFFAOYSA-N 0 0 311.469 4.640 50 0 DJAARN Cc1cccc(C)c1O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000033004189 563461179 /nfs/dbraw/zinc/46/11/79/563461179.db2.gz DMSSDJUXYKGDKG-LBPRGKRZSA-N 0 0 300.789 4.973 50 0 DJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C(C)C)cc2)o1 ZINC000033049065 563477221 /nfs/dbraw/zinc/47/72/21/563477221.db2.gz PXTSMOIWOOQSBT-UHFFFAOYSA-N 0 0 310.353 4.619 50 0 DJAARN CCc1nc([C@H](C)Nc2cccc(CO)c2)oc1-c1ccccc1 ZINC000096474336 563483463 /nfs/dbraw/zinc/48/34/63/563483463.db2.gz ZQXGQIDEZRCNBX-AWEZNQCLSA-N 0 0 322.408 4.569 50 0 DJAARN CCc1nn2c(nccc2-c2ccc(C)cc2)c1-c1ccccc1 ZINC000067630304 563487779 /nfs/dbraw/zinc/48/77/79/563487779.db2.gz IDSRSMPCCLFFPO-UHFFFAOYSA-N 0 0 313.404 4.934 50 0 DJAARN CC(=O)c1cc(CN(Cc2ccco2)[C@@H](C)C(C)C)cs1 ZINC000067934607 563493841 /nfs/dbraw/zinc/49/38/41/563493841.db2.gz KDLLPYBXVVECHQ-ZDUSSCGKSA-N 0 0 305.443 4.590 50 0 DJAARN CC(C)CCNC(=O)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140125 563497747 /nfs/dbraw/zinc/49/77/47/563497747.db2.gz UWMQZPYQMRDOTL-UHFFFAOYSA-N 0 0 318.420 4.678 50 0 DJAARN Cc1nn2c(nccc2-c2ccsc2)c1-c1ccc(F)cc1 ZINC000071375636 563499246 /nfs/dbraw/zinc/49/92/46/563499246.db2.gz UPROGCBJBVBSRN-UHFFFAOYSA-N 0 0 309.369 4.572 50 0 DJAARN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc2c(s1)CCC2 ZINC000033214528 563501597 /nfs/dbraw/zinc/50/15/97/563501597.db2.gz ZSMCKOSUSAYPSD-UHFFFAOYSA-N 0 0 324.405 4.508 50 0 DJAARN CC1CCN(c2ccc(-c3noc(C4CCCC4)n3)cc2)CC1 ZINC000033255401 563502557 /nfs/dbraw/zinc/50/25/57/563502557.db2.gz WXNVFWUDIRNUFM-UHFFFAOYSA-N 0 0 311.429 4.631 50 0 DJAARN CCC(=O)Nc1ccc(-c2csc(-c3ccsc3)n2)cc1 ZINC000008102605 563504349 /nfs/dbraw/zinc/50/43/49/563504349.db2.gz MXMWKLUOAPLIAP-UHFFFAOYSA-N 0 0 314.435 4.887 50 0 DJAARN CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000075402877 563504909 /nfs/dbraw/zinc/50/49/09/563504909.db2.gz MKQCBUVVKNBOBZ-UHFFFAOYSA-N 0 0 315.416 4.949 50 0 DJAARN CCC1(CC)Oc2ccc(N[C@@H](C)c3cncc(F)c3)cc2O1 ZINC000097105127 563505424 /nfs/dbraw/zinc/50/54/24/563505424.db2.gz DOPVPFARGBYUJW-LBPRGKRZSA-N 0 0 316.376 4.681 50 0 DJAARN CC[C@H](c1nc(C)c(C)s1)n1ccnc1-c1ccsc1 ZINC000077472314 563511157 /nfs/dbraw/zinc/51/11/57/563511157.db2.gz ZVQXGAPXRGASDE-CYBMUJFWSA-N 0 0 303.456 4.684 50 0 DJAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000000045270 563512460 /nfs/dbraw/zinc/51/24/60/563512460.db2.gz RHDNKNVNMHTZRE-ZYHUDNBSSA-N 0 0 318.631 4.870 50 0 DJAARN COc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000000045024 563512623 /nfs/dbraw/zinc/51/26/23/563512623.db2.gz KRLOIZLELVZKIX-VGOFMYFVSA-N 0 0 309.409 4.645 50 0 biogenic DJAARN Cc1ccc(-c2cc(=O)c3cc(Br)ccc3o2)cc1 ZINC000000057785 563515075 /nfs/dbraw/zinc/51/50/75/563515075.db2.gz XSBPYQNXBLNZCI-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 biogenic DJAARN COc1ccc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1C ZINC000033271116 563517964 /nfs/dbraw/zinc/51/79/64/563517964.db2.gz HYRPURIQYUMWBS-DQLDELGASA-N 0 0 323.436 4.947 50 0 DJAARN Cc1nc2sc3c(c2c(N2CCCCCC2)n1)CC[C@@H](C)C3 ZINC000000087586 563526807 /nfs/dbraw/zinc/52/68/07/563526807.db2.gz PFDQPLBWZUXAAI-GFCCVEGCSA-N 0 0 315.486 4.505 50 0 DJAARN Clc1c(Br)cccc1OC(Cl)(Cl)Cl ZINC000095215779 563529137 /nfs/dbraw/zinc/52/91/37/563529137.db2.gz GSTYYSPRTHLEKN-UHFFFAOYSA-N 0 0 324.816 4.809 50 0 DJAARN COc1cccc([C@H]2CCCCN2Cc2coc(C(C)C)n2)c1 ZINC000097546661 563540302 /nfs/dbraw/zinc/54/03/02/563540302.db2.gz BNYKNTJIWQEOFG-GOSISDBHSA-N 0 0 314.429 4.534 50 0 DJAARN Oc1ccc(CNc2cc(Cl)cc(Cl)c2)c2cccnc12 ZINC000011667589 563563256 /nfs/dbraw/zinc/56/32/56/563563256.db2.gz WJMJXTPQYQXLLZ-UHFFFAOYSA-N 0 0 319.191 4.859 50 0 DJAARN COc1ccc(O[P@](C)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003157041 563568559 /nfs/dbraw/zinc/56/85/59/563568559.db2.gz VRMFNYHZFXAQRF-FQEVSTJZSA-N 0 0 311.705 4.662 50 0 DJAARN Fc1ccccc1CSc1nnc(-c2ccccc2)s1 ZINC000000115463 563570996 /nfs/dbraw/zinc/57/09/96/563570996.db2.gz MAUKSGBPALKRNC-UHFFFAOYSA-N 0 0 302.399 4.637 50 0 DJAARN Cc1cccc(Oc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000000125867 563571605 /nfs/dbraw/zinc/57/16/05/563571605.db2.gz FXFCQTNSXHYFAS-UHFFFAOYSA-N 0 0 310.422 4.979 50 0 DJAARN CCc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000000130377 563572289 /nfs/dbraw/zinc/57/22/89/563572289.db2.gz BMGBOYTXOGQLGP-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN Cc1sc(NC(=O)C(C)(C)C)nc1-c1ccc(Cl)cc1 ZINC000000151124 563573274 /nfs/dbraw/zinc/57/32/74/563573274.db2.gz VYQHJAZZQBUSQV-UHFFFAOYSA-N 0 0 308.834 4.757 50 0 DJAARN COc1ccc(-c2cn3c4ccc(C)cc4sc3n2)c(OC)c1 ZINC000000151501 563574036 /nfs/dbraw/zinc/57/40/36/563574036.db2.gz VHWWBURPXIXUBV-UHFFFAOYSA-N 0 0 324.405 4.542 50 0 DJAARN COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000262064 563582975 /nfs/dbraw/zinc/58/29/75/563582975.db2.gz MHISMUZYNBFYBI-RUDMXATFSA-N 0 0 323.175 4.621 50 0 biogenic DJAARN C[C@@H]1CCC[C@H](C)N1C(=S)Nc1cccc(Cl)c1Cl ZINC000000258002 563583210 /nfs/dbraw/zinc/58/32/10/563583210.db2.gz RYJBKYIAGQHIGT-AOOOYVTPSA-N 0 0 317.285 4.953 50 0 DJAARN Cc1ccc2occ(C(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2c1 ZINC000000266033 563583389 /nfs/dbraw/zinc/58/33/89/563583389.db2.gz FSBUJWWKBGDYDS-UHFFFAOYSA-N 0 0 320.388 4.630 50 0 DJAARN CCc1ccccc1NC(=O)c1c(C)c(Cl)c(C)nc1Cl ZINC000000269529 563583427 /nfs/dbraw/zinc/58/34/27/563583427.db2.gz WSBVPEBNCNPMOB-UHFFFAOYSA-N 0 0 323.223 4.820 50 0 DJAARN Cc1cc2c(cc1C)CN(c1cccc(Br)c1)C2 ZINC000000298661 563587096 /nfs/dbraw/zinc/58/70/96/563587096.db2.gz HYUUGZNTKZWUDY-UHFFFAOYSA-N 0 0 302.215 4.586 50 0 DJAARN CC(=O)N1c2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)C[C@H]1C ZINC000000315041 563587492 /nfs/dbraw/zinc/58/74/92/563587492.db2.gz RBNWAJIGDRDIOI-BEFAXECRSA-N 0 0 308.425 4.602 50 0 DJAARN Cc1cccc2nc(COc3ccc(-c4ccccc4)cc3)cn21 ZINC000000312835 563587628 /nfs/dbraw/zinc/58/76/28/563587628.db2.gz RNPAEYMBONIGAB-UHFFFAOYSA-N 0 0 314.388 4.889 50 0 DJAARN CC(C)(C)Nc1c(-c2cccs2)nc2ccc(Cl)cn21 ZINC000000320252 563587960 /nfs/dbraw/zinc/58/79/60/563587960.db2.gz RXLRKCCWEHIUGD-UHFFFAOYSA-N 0 0 305.834 4.927 50 0 DJAARN Fc1cccc(-c2nc3ccccn3c2NCc2ccccc2)c1 ZINC000000319601 563588256 /nfs/dbraw/zinc/58/82/56/563588256.db2.gz LKGUNNGZOTYGLW-UHFFFAOYSA-N 0 0 317.367 4.753 50 0 DJAARN CC(=O)N1c2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)C[C@@H]1C ZINC000000315044 563588408 /nfs/dbraw/zinc/58/84/08/563588408.db2.gz RBNWAJIGDRDIOI-KXBFYZLASA-N 0 0 308.425 4.602 50 0 DJAARN COc1ccc2[nH]c3c(c2c1)CC[C@](C)(c1cccc(OC)c1)C3 ZINC000000343171 563589371 /nfs/dbraw/zinc/58/93/71/563589371.db2.gz MNJCVIVORIEBNF-NRFANRHFSA-N 0 0 321.420 4.632 50 0 DJAARN CC(C)(C)c1cc(C(=O)Nc2cccc3ccccc32)ccn1 ZINC000000347151 563589393 /nfs/dbraw/zinc/58/93/93/563589393.db2.gz 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/nfs/dbraw/zinc/85/25/51/563852551.db2.gz BNGKWHAADGRFIS-UHFFFAOYSA-N 0 0 308.425 4.563 50 0 DJAARN Cc1ccsc1-c1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012891378 563852820 /nfs/dbraw/zinc/85/28/20/563852820.db2.gz QNPISWNGFMSVKY-UHFFFAOYSA-N 0 0 324.430 4.689 50 0 DJAARN O=C(C=C(Nc1cccc(O)c1)c1ccccc1)c1ccccc1 ZINC000005772211 563855277 /nfs/dbraw/zinc/85/52/77/563855277.db2.gz HDZOCYOMOMWENW-HMMYKYKNSA-N 0 0 315.372 4.728 50 0 DJAARN Cc1ccc(NC(=O)c2coc(-c3ccccc3)n2)c(Cl)c1 ZINC000151038138 563860075 /nfs/dbraw/zinc/86/00/75/563860075.db2.gz XCPPDKPNROYUKD-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccc2c(c1)nc(N1CCCCC1)nc2-c1ccccc1 ZINC000075109550 563860504 /nfs/dbraw/zinc/86/05/04/563860504.db2.gz ZHBPYPKEEPBONI-UHFFFAOYSA-N 0 0 303.409 4.596 50 0 DJAARN Cc1ccc2c(c1)nc(N1CCCC[C@H]1C)nc2-c1ccccc1 ZINC000075109562 563860517 /nfs/dbraw/zinc/86/05/17/563860517.db2.gz ITMZVPSFKODGEY-MRXNPFEDSA-N 0 0 317.436 4.984 50 0 DJAARN Cc1ccc(C2=Nc3ccccc3OC(c3ccccc3)=N2)cc1 ZINC000075260770 563862441 /nfs/dbraw/zinc/86/24/41/563862441.db2.gz YRGJAEDASAZDKL-UHFFFAOYSA-N 0 0 312.372 4.913 50 0 DJAARN O=C(Nc1cccnc1Cl)c1cccc2c1-c1ccccc1C2 ZINC000075278846 563862892 /nfs/dbraw/zinc/86/28/92/563862892.db2.gz MXLYOZIIPAIESN-UHFFFAOYSA-N 0 0 320.779 4.559 50 0 DJAARN FC(F)Oc1ccc(-n2c(-c3ccccc3)c[nH]c2=S)cc1 ZINC000026424333 563864197 /nfs/dbraw/zinc/86/41/97/563864197.db2.gz XGMCXPXVVATIBF-UHFFFAOYSA-N 0 0 318.348 4.803 50 0 DJAARN O=C(NCc1ccc(-c2cccs2)o1)c1cc2ccccc2o1 ZINC000575609222 563865831 /nfs/dbraw/zinc/86/58/31/563865831.db2.gz SHFFALCYPNHMHS-UHFFFAOYSA-N 0 0 323.373 4.684 50 0 DJAARN O=C1c2ccccc2CCC[C@@]12N=NC[C@H]2c1ccc(Cl)cc1 ZINC000006243415 563866880 /nfs/dbraw/zinc/86/68/80/563866880.db2.gz AKOXLADCSNZXKU-HKUYNNGSSA-N 0 0 324.811 4.847 50 0 DJAARN Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c(C)c1 ZINC000013000593 563874967 /nfs/dbraw/zinc/87/49/67/563874967.db2.gz FXEXZWNTVZSQAV-UHFFFAOYSA-N 0 0 324.424 4.540 50 0 DJAARN COc1ccc(C)cc1NC(=O)Nc1cc(Cl)ccc1C ZINC000001741522 563876150 /nfs/dbraw/zinc/87/61/50/563876150.db2.gz QYQZVGVSYZEWTR-UHFFFAOYSA-N 0 0 304.777 4.609 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2ccc(-c3ccsc3)nc2)c1 ZINC000075501957 563876951 /nfs/dbraw/zinc/87/69/51/563876951.db2.gz NKVUMDCCEDWUBA-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN CCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001752677 563877492 /nfs/dbraw/zinc/87/74/92/563877492.db2.gz PLYZMNBDAIDIED-UHFFFAOYSA-N 0 0 324.302 4.748 50 0 DJAARN CCCCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000001750909 563877785 /nfs/dbraw/zinc/87/77/85/563877785.db2.gz FNGAZPIVYPRJPS-UHFFFAOYSA-N 0 0 308.834 4.516 50 0 DJAARN COc1ccccc1[C@@H]1Nc2ccc(C)cc2[C@@H]2OCCC[C@H]12 ZINC000035360438 563878111 /nfs/dbraw/zinc/87/81/11/563878111.db2.gz HLNMUQIEQVLAPK-UIAACRFSSA-N 0 0 309.409 4.638 50 0 DJAARN Cc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001937492 563886259 /nfs/dbraw/zinc/88/62/59/563886259.db2.gz ZAGTVEKCHNSMLE-ZHACJKMWSA-N 0 0 305.299 4.666 50 0 DJAARN Cc1c(C)c(=O)oc2c(C)c(OC/C=C/c3ccccc3)ccc12 ZINC000002101374 563887158 /nfs/dbraw/zinc/88/71/58/563887158.db2.gz AXRUQMPTWSCSQV-JXMROGBWSA-N 0 0 320.388 4.810 50 0 biogenic DJAARN C[C@@H](SC1=N[C@H](C)CS1)c1ccc(OC(F)F)cc1 ZINC000089523430 563889395 /nfs/dbraw/zinc/88/93/95/563889395.db2.gz NXDIYTKYIHESHN-RKDXNWHRSA-N 0 0 303.399 4.574 50 0 DJAARN Cc1ccc(Nc2c(-c3ccccc3)nc3cnccn32)c(C)c1 ZINC000064657097 563891657 /nfs/dbraw/zinc/89/16/57/563891657.db2.gz FCJDHKFVAYTTRH-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccc(C)cc1 ZINC000064757649 563893943 /nfs/dbraw/zinc/89/39/43/563893943.db2.gz IVOCKEIKUZXEEG-UHFFFAOYSA-N 0 0 323.421 4.756 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2O1 ZINC000006844057 563896705 /nfs/dbraw/zinc/89/67/05/563896705.db2.gz AIEMEMPLXFSMLI-MRXNPFEDSA-N 0 0 310.397 4.513 50 0 DJAARN CN(Cc1ccccc1)c1ncnc2sc3c(c21)CCCCC3 ZINC000006881500 563898438 /nfs/dbraw/zinc/89/84/38/563898438.db2.gz PNXSMLLGHKTGEP-UHFFFAOYSA-N 0 0 323.465 4.597 50 0 DJAARN CCN(CC)C(=O)N1c2ccccc2C[C@@H](OC)c2ccccc21 ZINC000006937694 563900037 /nfs/dbraw/zinc/90/00/37/563900037.db2.gz ZZCNZSPQPSBPQR-LJQANCHMSA-N 0 0 324.424 4.530 50 0 DJAARN COc1ccccc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000006945596 563900197 /nfs/dbraw/zinc/90/01/97/563900197.db2.gz UTTYWFLDTDLAPM-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN O=C(Nc1ccccc1Cl)N1CCC[C@H]1c1ccccc1F ZINC000036620603 563901471 /nfs/dbraw/zinc/90/14/71/563901471.db2.gz ZYJCPVRFJRBCLY-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN O=C(Nc1ccccc1Cl)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000036620525 563901540 /nfs/dbraw/zinc/90/15/40/563901540.db2.gz RPFLTARKQTVQRU-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN CCc1ccc(NC(=O)c2ccc(Cc3ccccc3)o2)cc1 ZINC000036636054 563902024 /nfs/dbraw/zinc/90/20/24/563902024.db2.gz SQPZMHVVSSIGIF-UHFFFAOYSA-N 0 0 305.377 4.685 50 0 DJAARN Cc1cc(C(=O)Nc2cc(Cl)ccc2C)c2ccccc2n1 ZINC000007406856 563906016 /nfs/dbraw/zinc/90/60/16/563906016.db2.gz CEAJXDARWFSOPH-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN Cc1ccc(S(=O)(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000003163721 563906177 /nfs/dbraw/zinc/90/61/77/563906177.db2.gz NSIRXXNIPHHKEG-UHFFFAOYSA-N 0 0 323.417 4.571 50 0 DJAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1=CCCCCC1 ZINC000170599076 563907343 /nfs/dbraw/zinc/90/73/43/563907343.db2.gz AAFWALIRIAAOLF-CQSZACIVSA-N 0 0 320.502 4.985 50 0 DJAARN O[C@@H](CNc1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000170623422 563908830 /nfs/dbraw/zinc/90/88/30/563908830.db2.gz DBGXVUYDFUCGLF-KRWDZBQOSA-N 0 0 320.417 4.595 50 0 DJAARN O=C1CS[C@H](c2ccc(F)c(Cl)c2)c2sccc2N1 ZINC000071283051 563909106 /nfs/dbraw/zinc/90/91/06/563909106.db2.gz WXTJLNIZZJUCTE-GFCCVEGCSA-N 0 0 313.806 4.965 50 0 DJAARN CCSc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000010217381 563909240 /nfs/dbraw/zinc/90/92/40/563909240.db2.gz UYUVNOPXHUKMGE-UHFFFAOYSA-N 0 0 314.435 4.661 50 0 DJAARN O=C(Nc1ccc2ncsc2c1)c1cccc2ccccc21 ZINC000010217294 563909243 /nfs/dbraw/zinc/90/92/43/563909243.db2.gz BYONPCHMUUMBCY-UHFFFAOYSA-N 0 0 304.374 4.702 50 0 DJAARN CCn1c(SCc2ccccc2C)nnc1-c1cccc(C)c1 ZINC000013325578 563909440 /nfs/dbraw/zinc/90/94/40/563909440.db2.gz JOAVGDJLEXOOLL-UHFFFAOYSA-N 0 0 323.465 4.874 50 0 DJAARN CCC(CC)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320448 563909485 /nfs/dbraw/zinc/90/94/85/563909485.db2.gz JTTYQSJFWNWJMV-UHFFFAOYSA-N 0 0 308.731 4.669 50 0 DJAARN CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000013745076 563909920 /nfs/dbraw/zinc/90/99/20/563909920.db2.gz CWHROLUOEFFMCI-JTQLQIEISA-N 0 0 324.833 4.683 50 0 DJAARN CCCCc1ccc(NC(=S)Nc2cccc(OC)c2)cc1 ZINC000013789481 563910115 /nfs/dbraw/zinc/91/01/15/563910115.db2.gz OICGCLVTJBAECT-UHFFFAOYSA-N 0 0 314.454 4.847 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000014669410 563910847 /nfs/dbraw/zinc/91/08/47/563910847.db2.gz FUMGNZRFCMGUPC-UHFFFAOYSA-N 0 0 300.210 4.924 50 0 DJAARN O=C(Nc1cccc2ncccc21)c1ccccc1C(F)(F)F ZINC000014791882 563912719 /nfs/dbraw/zinc/91/27/19/563912719.db2.gz SPKQVDZGXPLFEO-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN CCc1nc(CSCc2ccc3ccccc3n2)cs1 ZINC000076325276 563912855 /nfs/dbraw/zinc/91/28/55/563912855.db2.gz PAGUPTZHEWQNIO-UHFFFAOYSA-N 0 0 300.452 4.687 50 0 DJAARN C[C@@H]1CCCN(c2ncnc3sc(-c4ccccc4)cc32)C1 ZINC000002875214 563913075 /nfs/dbraw/zinc/91/30/75/563913075.db2.gz AHFAMCGTTXRGJI-CYBMUJFWSA-N 0 0 309.438 4.595 50 0 DJAARN CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000002119145 563914663 /nfs/dbraw/zinc/91/46/63/563914663.db2.gz BRUBSSKMCMFYCC-OAQYLSRUSA-N 0 0 324.468 4.988 50 0 biogenic DJAARN Cc1nc(-c2ccccc2NC(=O)Cc2ccccc2C)cs1 ZINC000208008074 563915295 /nfs/dbraw/zinc/91/52/95/563915295.db2.gz DBDXRHGFDFIUDG-UHFFFAOYSA-N 0 0 322.433 4.608 50 0 DJAARN CC(C)(C)C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000007599250 563915665 /nfs/dbraw/zinc/91/56/65/563915665.db2.gz YLGLHLXUWQRFFB-UHFFFAOYSA-N 0 0 300.383 4.541 50 0 DJAARN CCCCN(CC)c1cc(Oc2ccc(Cl)cc2)ncn1 ZINC000037378287 563916555 /nfs/dbraw/zinc/91/65/55/563916555.db2.gz ZUHIJZXZQQAVSY-UHFFFAOYSA-N 0 0 305.809 4.549 50 0 DJAARN CCCCN(CC)c1cc(Oc2ccc(F)cc2Cl)ncn1 ZINC000037379060 563916740 /nfs/dbraw/zinc/91/67/40/563916740.db2.gz FRXHCCHNRNXTKF-UHFFFAOYSA-N 0 0 323.799 4.688 50 0 DJAARN O=C(NC1CCCCCC1)c1cccc(Oc2ccccc2)c1 ZINC000007653641 563917647 /nfs/dbraw/zinc/91/76/47/563917647.db2.gz QUGURLNNYDTKKD-UHFFFAOYSA-N 0 0 309.409 4.932 50 0 DJAARN CCc1cccc(C)c1NC(=O)Cc1ccc2ccccc2c1 ZINC000007653375 563917770 /nfs/dbraw/zinc/91/77/70/563917770.db2.gz ZXAFQKIEDQXYPB-UHFFFAOYSA-N 0 0 303.405 4.892 50 0 DJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1 ZINC000007684039 563917899 /nfs/dbraw/zinc/91/78/99/563917899.db2.gz YLEBEVJKGXRMIP-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN COc1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1O ZINC000007717303 563918027 /nfs/dbraw/zinc/91/80/27/563918027.db2.gz PMFSWGSNHJWQEX-XVNBXDOJSA-N 0 0 317.797 4.834 50 0 DJAARN Cc1cc2nc(Oc3cccc(Cl)c3)c3ccccc3n2n1 ZINC000007737813 563918754 /nfs/dbraw/zinc/91/87/54/563918754.db2.gz AUWAIVAHNGWKIX-UHFFFAOYSA-N 0 0 309.756 4.637 50 0 DJAARN c1coc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c1 ZINC000037547680 563918810 /nfs/dbraw/zinc/91/88/10/563918810.db2.gz NAKBLVDVNXBGJC-UHFFFAOYSA-N 0 0 318.332 4.576 50 0 DJAARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(C)C)cc1 ZINC000025581585 563923748 /nfs/dbraw/zinc/92/37/48/563923748.db2.gz QCVZMIHJODODIY-FPOVZHCZSA-N 0 0 320.436 4.775 50 0 DJAARN Brc1nc2ccc(OCc3ccccc3)cc2s1 ZINC000095705249 563924246 /nfs/dbraw/zinc/92/42/46/563924246.db2.gz NFKUIKBAAWOPMW-UHFFFAOYSA-N 0 0 320.211 4.638 50 0 DJAARN COc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)cc1 ZINC000143917200 563924323 /nfs/dbraw/zinc/92/43/23/563924323.db2.gz GKPSACHHYYXJPK-UHFFFAOYSA-N 0 0 300.404 4.965 50 0 DJAARN Clc1ncn(CCCSCc2ccccc2)c1Cl ZINC000253426788 563925420 /nfs/dbraw/zinc/92/54/20/563925420.db2.gz QHVFDHPDQIMNMS-UHFFFAOYSA-N 0 0 301.242 4.513 50 0 DJAARN COc1ccccc1[C@H](C)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154360534 563926770 /nfs/dbraw/zinc/92/67/70/563926770.db2.gz KENYGLRKZCNWJQ-LIRRHRJNSA-N 0 0 323.440 4.619 50 0 DJAARN O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1ccccc1 ZINC000012764600 563928988 /nfs/dbraw/zinc/92/89/88/563928988.db2.gz JXTSAOXLZVWXID-HGZMWJMZSA-N 0 0 311.812 4.717 50 0 DJAARN Fc1ccc(-c2nnc(Cc3ccc(Cl)cc3Cl)o2)cc1 ZINC000013364064 563929488 /nfs/dbraw/zinc/92/94/88/563929488.db2.gz QNYNPNLJNVODBW-UHFFFAOYSA-N 0 0 323.154 4.773 50 0 DJAARN CC(C)(C)c1noc(CNc2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000078885797 563930008 /nfs/dbraw/zinc/93/00/08/563930008.db2.gz GITMISQHGWUBQF-UHFFFAOYSA-N 0 0 319.408 4.550 50 0 DJAARN Cc1nn(-c2ccc(NC(=O)CC(C)(C)C)cc2)c(C)c1Cl ZINC000027925167 563930012 /nfs/dbraw/zinc/93/00/12/563930012.db2.gz STTJUIXDUGUQDR-UHFFFAOYSA-N 0 0 319.836 4.517 50 0 DJAARN O=C(Cc1ccccc1Cl)NC1(c2cccs2)CCCC1 ZINC000390827900 563930755 /nfs/dbraw/zinc/93/07/55/563930755.db2.gz LTWXOHLDMBERJU-UHFFFAOYSA-N 0 0 319.857 4.530 50 0 DJAARN C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(C)(C)C ZINC000095958725 563932343 /nfs/dbraw/zinc/93/23/43/563932343.db2.gz RBJGIWVBFVKJSF-STQMWFEESA-N 0 0 302.418 4.570 50 0 DJAARN Cc1c(-c2cc(C)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000095955820 563932374 /nfs/dbraw/zinc/93/23/74/563932374.db2.gz XRRNLRQQEIAILK-UHFFFAOYSA-N 0 0 317.367 4.843 50 0 DJAARN CC[C@H](c1ccccc1)[S@](=O)[C@@H](C)c1c(F)cccc1F ZINC000095962086 563932544 /nfs/dbraw/zinc/93/25/44/563932544.db2.gz ZOBKMYLPMBHCLW-LSWYUMSHSA-N 0 0 308.393 4.926 50 0 DJAARN CCc1nnc(CS[C@H](c2ccccc2)c2ccccc2C)o1 ZINC000095965631 563932693 /nfs/dbraw/zinc/93/26/93/563932693.db2.gz SMVLWPKBNOQXMM-LJQANCHMSA-N 0 0 324.449 4.963 50 0 DJAARN CCc1nc([C@@H](C)N[C@@H](C)c2ccc3ccccc3n2)cs1 ZINC000095967891 563933280 /nfs/dbraw/zinc/93/32/80/563933280.db2.gz KCGSWKWDJQYKFK-QWHCGFSZSA-N 0 0 311.454 4.666 50 0 DJAARN C[C@@H](c1ccc(C(F)(F)F)cc1)[S@](=O)c1cccs1 ZINC000095971730 563933413 /nfs/dbraw/zinc/93/34/13/563933413.db2.gz GIHVYPRKMZUQCN-ZRNGKTOUSA-N 0 0 304.358 4.636 50 0 DJAARN CN(C)c1ccc(Nc2nc(Cc3ccsc3)cs2)cc1 ZINC000096124516 563935628 /nfs/dbraw/zinc/93/56/28/563935628.db2.gz MUHFUCNYNDUPSX-UHFFFAOYSA-N 0 0 315.467 4.605 50 0 DJAARN CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000096136861 563935665 /nfs/dbraw/zinc/93/56/65/563935665.db2.gz YGZSNVVPZFYAPC-NRFANRHFSA-N 0 0 314.388 4.537 50 0 DJAARN Cc1ccccc1C(=O)NCc1ccccc1-c1ccsc1 ZINC000096122882 563935706 /nfs/dbraw/zinc/93/57/06/563935706.db2.gz LCCKFZAZXXLJSW-UHFFFAOYSA-N 0 0 307.418 4.654 50 0 DJAARN CC[C@@H](C)[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000007968772 563935806 /nfs/dbraw/zinc/93/58/06/563935806.db2.gz RTYCVNKZHOLNPH-KUHUBIRLSA-N 0 0 309.409 4.658 50 0 DJAARN COc1ccc(NC(=O)c2ccc3c4c(cccc42)CC3)c(C)c1 ZINC000096191944 563935980 /nfs/dbraw/zinc/93/59/80/563935980.db2.gz GECYDUDMELULJS-UHFFFAOYSA-N 0 0 317.388 4.508 50 0 DJAARN O=C1Nc2ccccc2/C1=C\c1cccc(OC2CCCC2)c1 ZINC000096297976 563936132 /nfs/dbraw/zinc/93/61/32/563936132.db2.gz JBAZQBIQSCFELU-QGOAFFKASA-N 0 0 305.377 4.501 50 0 DJAARN CCCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000002501970 563938278 /nfs/dbraw/zinc/93/82/78/563938278.db2.gz OTBPNTWQGJUVIU-UHFFFAOYSA-N 0 0 323.396 4.717 50 0 DJAARN O=C(CCNc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000002519792 563938402 /nfs/dbraw/zinc/93/84/02/563938402.db2.gz JKAPHRLZCBBWRE-UHFFFAOYSA-N 0 0 312.171 4.817 50 0 DJAARN Cc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000002534655 563938692 /nfs/dbraw/zinc/93/86/92/563938692.db2.gz JZIFGGOACFQCIL-CMDGGOBGSA-N 0 0 319.326 4.974 50 0 DJAARN Cc1ccc(COc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000002640037 563939854 /nfs/dbraw/zinc/93/98/54/563939854.db2.gz GTKLBIPPFCMECX-ZDUSSCGKSA-N 0 0 324.449 4.704 50 0 DJAARN Cc1ccc(C(=O)[C@@H](C)Oc2cccc3c2OC(C)(C)C3)cc1C ZINC000002640433 563939910 /nfs/dbraw/zinc/93/99/10/563939910.db2.gz MYGDHLYCOSAFDQ-OAHLLOKOSA-N 0 0 324.420 4.667 50 0 DJAARN Clc1ccc(CN2c3cc(Cl)ccc3N3CCC[C@H]23)cc1 ZINC000002635420 563939958 /nfs/dbraw/zinc/93/99/58/563939958.db2.gz BTWBHZFQCQJJBY-KRWDZBQOSA-N 0 0 319.235 4.940 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000002648335 563940110 /nfs/dbraw/zinc/94/01/10/563940110.db2.gz BPDMMRXSTCLXKJ-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN CSc1cccc(NC(=O)c2cc(C)nc3ccccc32)c1 ZINC000002726360 563940365 /nfs/dbraw/zinc/94/03/65/563940365.db2.gz AJAHSKHVJZOKJZ-UHFFFAOYSA-N 0 0 308.406 4.517 50 0 DJAARN CCOc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1C)c2=O ZINC000002886953 563941041 /nfs/dbraw/zinc/94/10/41/563941041.db2.gz GZDGHFCPCMWDFE-UHFFFAOYSA-N 0 0 324.376 4.909 50 0 DJAARN C[C@H]1CCc2c(sc3ncnc(Nc4ccc(F)cc4)c23)C1 ZINC000002890622 563941122 /nfs/dbraw/zinc/94/11/22/563941122.db2.gz MAPPYTVZAVHEJE-JTQLQIEISA-N 0 0 313.401 4.699 50 0 DJAARN Cc1cc(C)c(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C)c1 ZINC000002928352 563941127 /nfs/dbraw/zinc/94/11/27/563941127.db2.gz OOIADLVVGDBWKY-UHFFFAOYSA-N 0 0 318.420 4.584 50 0 aggregator DJAARN CC[C@@H](C)N1Cc2ccccc2N(CC)[C@@H]1c1ccccc1F ZINC000003029989 563941567 /nfs/dbraw/zinc/94/15/67/563941567.db2.gz RODLRMNVEAZBRE-QRWLVFNGSA-N 0 0 312.432 4.965 50 0 DJAARN CSCc1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1 ZINC000003105304 563942154 /nfs/dbraw/zinc/94/21/54/563942154.db2.gz FKTJANUKUFNCOX-UHFFFAOYSA-N 0 0 321.449 4.775 50 0 DJAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccccc3)sc2C1 ZINC000003207620 563942833 /nfs/dbraw/zinc/94/28/33/563942833.db2.gz RHSGWIWMMGWJCJ-ZDUSSCGKSA-N 0 0 314.454 4.546 50 0 DJAARN CC(C)N(C(=O)CSc1ccccc1Cl)c1ccccc1 ZINC000003233882 563943024 /nfs/dbraw/zinc/94/30/24/563943024.db2.gz SBQFTYXKXZSBGJ-UHFFFAOYSA-N 0 0 319.857 4.874 50 0 DJAARN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000031337093 563944418 /nfs/dbraw/zinc/94/44/18/563944418.db2.gz ZKTBVOYQLGJNSM-NSHDSACASA-N 0 0 323.223 4.530 50 0 DJAARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004064780 563945116 /nfs/dbraw/zinc/94/51/16/563945116.db2.gz ORNBQBCIOKFOEO-LWRBVXSGSA-N 0 0 316.485 4.515 50 0 biogenic DJAARN O=C(Nc1ccccc1Oc1ccccc1)c1cc(Cl)ccn1 ZINC000007989256 563945916 /nfs/dbraw/zinc/94/59/16/563945916.db2.gz AZFLANDIBBJOMU-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(C)ccc1C ZINC000007995898 563946166 /nfs/dbraw/zinc/94/61/66/563946166.db2.gz RFXFSDPRNBUSAU-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000007995907 563946197 /nfs/dbraw/zinc/94/61/97/563946197.db2.gz ZLJUEAKRXXQAEC-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN Fc1cc(F)cc(Oc2nc(C(F)F)nc3ccccc32)c1 ZINC000066465955 563946591 /nfs/dbraw/zinc/94/65/91/563946591.db2.gz XNBKKWFYFCKDHY-UHFFFAOYSA-N 0 0 308.234 4.638 50 0 DJAARN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008095562 563946673 /nfs/dbraw/zinc/94/66/73/563946673.db2.gz LUCUBPCGBDGKJD-STQMWFEESA-N 0 0 317.816 4.739 50 0 DJAARN Cc1cc(C)c(S[C@H](C)C(=O)Nc2ccccc2F)c(C)c1 ZINC000008204252 563947190 /nfs/dbraw/zinc/94/71/90/563947190.db2.gz LDWKGAYIPLLWAV-CQSZACIVSA-N 0 0 317.429 4.870 50 0 DJAARN COc1ccc2c(c1)nc(N1CCCCC1)cc2-c1ccccc1 ZINC000008328990 563948113 /nfs/dbraw/zinc/94/81/13/563948113.db2.gz KFKFFJRQURPRSC-UHFFFAOYSA-N 0 0 318.420 4.901 50 0 DJAARN Cc1cc2n(n1)[C@@H](c1cccc(Cl)c1)Nc1c(C)cccc1-2 ZINC000008415446 563948558 /nfs/dbraw/zinc/94/85/58/563948558.db2.gz ZXJJEDSPPQWMTL-SFHVURJKSA-N 0 0 309.800 4.793 50 0 DJAARN Cc1[nH]c(-c2ccccc2)c2cc(-c3ccccc3)oc(=O)c12 ZINC000067340112 563949030 /nfs/dbraw/zinc/94/90/30/563949030.db2.gz HIPWPPPMFXHURA-UHFFFAOYSA-N 0 0 301.345 4.764 50 0 DJAARN Cc1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1C ZINC000008611249 563949345 /nfs/dbraw/zinc/94/93/45/563949345.db2.gz YDRUFRJYFGYRDO-UHFFFAOYSA-N 0 0 308.381 4.820 50 0 DJAARN CC(C)c1ccc(OC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000008673942 563949561 /nfs/dbraw/zinc/94/95/61/563949561.db2.gz JBKGHUWRVKUANT-UHFFFAOYSA-N 0 0 307.349 4.684 50 0 DJAARN Cc1cccnc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000008726920 563950213 /nfs/dbraw/zinc/95/02/13/563950213.db2.gz FCQSNNXSRFEBRS-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@H]1CC=CCC1 ZINC000008728050 563950360 /nfs/dbraw/zinc/95/03/60/563950360.db2.gz LXIXMBYGUXHOGM-NSHDSACASA-N 0 0 318.829 4.758 50 0 DJAARN CC(=O)c1cccc(NC(=O)c2oc3ccc(C)cc3c2C)c1 ZINC000008754461 563950495 /nfs/dbraw/zinc/95/04/95/563950495.db2.gz PSRNZPYDIKMRKL-UHFFFAOYSA-N 0 0 307.349 4.505 50 0 DJAARN CCc1cc(C(=O)Nc2ccc3nc(C)sc3c2)sc1C ZINC000008762533 563950591 /nfs/dbraw/zinc/95/05/91/563950591.db2.gz YCCBJPMQFILMID-UHFFFAOYSA-N 0 0 316.451 4.789 50 0 DJAARN CC[C@H](C(=O)N[C@H](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000244975296 563952134 /nfs/dbraw/zinc/95/21/34/563952134.db2.gz IKHFDMAPLFHOAD-BEFAXECRSA-N 0 0 321.420 4.674 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)c1ccccc1OC(F)F ZINC000009314097 563955069 /nfs/dbraw/zinc/95/50/69/563955069.db2.gz YUQRKHOXQYFXLH-UHFFFAOYSA-N 0 0 319.351 4.972 50 0 DJAARN Cc1sc2ncnc(Oc3ccc4ccncc4c3)c2c1C ZINC000009365003 563955305 /nfs/dbraw/zinc/95/53/05/563955305.db2.gz JPISWGXRRQRHMW-UHFFFAOYSA-N 0 0 307.378 4.649 50 0 DJAARN CC(C)(C)c1ccc(C(=O)N2CCSc3ccccc32)cc1 ZINC000041155197 563955776 /nfs/dbraw/zinc/95/57/76/563955776.db2.gz PBRMQEOHSMFSFI-UHFFFAOYSA-N 0 0 311.450 4.737 50 0 DJAARN O=C1c2ccccc2N[C@H](c2ccccc2)N1c1cccc(F)c1 ZINC000009420865 563955898 /nfs/dbraw/zinc/95/58/98/563955898.db2.gz OSGOGTCEIXFJKR-IBGZPJMESA-N 0 0 318.351 4.597 50 0 DJAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000009499476 563956398 /nfs/dbraw/zinc/95/63/98/563956398.db2.gz MMMFNNBWNIFPFZ-NSHDSACASA-N 0 0 306.768 4.670 50 0 DJAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2Cl)c1 ZINC000009527334 563956659 /nfs/dbraw/zinc/95/66/59/563956659.db2.gz YVEBMOSLRONSQJ-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccc2nc3sc(C(=O)N4CCCC[C@@H]4C)cc3cc2c1 ZINC000009528656 563956831 /nfs/dbraw/zinc/95/68/31/563956831.db2.gz XXMJHKPVTHZMLR-ZDUSSCGKSA-N 0 0 324.449 4.773 50 0 DJAARN CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000009554138 563956904 /nfs/dbraw/zinc/95/69/04/563956904.db2.gz OKVUYXINBKFLCD-LXGCGDOSSA-N 0 0 308.425 4.621 50 0 DJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1Cl ZINC000018095876 563960149 /nfs/dbraw/zinc/96/01/49/563960149.db2.gz FXJFKYBQUTVGOL-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 in-vitro DJAARN Fc1ccc(-c2ccc(CNCc3ccco3)o2)cc1Cl ZINC000007539894 568412404 /nfs/dbraw/zinc/41/24/04/568412404.db2.gz YAUIQXDBXGFDEM-UHFFFAOYSA-N 0 0 305.736 4.622 50 0 DJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(C)C)cc1 ZINC000013616477 568412531 /nfs/dbraw/zinc/41/25/31/568412531.db2.gz YGDLCDCEUBOTLT-QUCCMNQESA-N 0 0 306.409 4.521 50 0 DJAARN COc1ccc([C@@H]2NN=C(c3ccccc3)S2)c2ccccc12 ZINC000002987365 568414243 /nfs/dbraw/zinc/41/42/43/568414243.db2.gz DFCPACBQEZAMNN-LJQANCHMSA-N 0 0 320.417 4.545 50 0 DJAARN CCOc1ccccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000002985752 568414288 /nfs/dbraw/zinc/41/42/88/568414288.db2.gz QCAXOQUQGKTTNW-UHFFFAOYSA-N 0 0 314.425 4.841 50 0 DJAARN Fc1ccccc1-c1nc2ccccc2c(NC2CCCC2)n1 ZINC000000520435 568414586 /nfs/dbraw/zinc/41/45/86/568414586.db2.gz AFMHHHMLWNYSDD-UHFFFAOYSA-N 0 0 307.372 4.790 50 0 DJAARN Clc1ccccc1Nc1ncnc2sc3c(c21)CCCC3 ZINC000000520709 568414599 /nfs/dbraw/zinc/41/45/99/568414599.db2.gz DOEKLFYRPUTMBN-UHFFFAOYSA-N 0 0 315.829 4.967 50 0 DJAARN Cc1nc(C(C)C)sc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000032924113 568416533 /nfs/dbraw/zinc/41/65/33/568416533.db2.gz RCYNULOHRKVOCT-UHFFFAOYSA-N 0 0 323.487 4.581 50 0 DJAARN CCc1ccccc1NC(=O)c1ncoc1-c1ccc(C)s1 ZINC000033049099 568416546 /nfs/dbraw/zinc/41/65/46/568416546.db2.gz XRYCCUOIOORMEF-UHFFFAOYSA-N 0 0 312.394 4.526 50 0 DJAARN Cc1cccc2sc(C(=O)Nc3ncccc3C)c(Cl)c21 ZINC000012590040 568417381 /nfs/dbraw/zinc/41/73/81/568417381.db2.gz FHRLUYVVOUQNIZ-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Cc1ccc(-c2cncc(C(=O)NCCC3=CCCCC3)c2)cc1 ZINC000035514629 568418619 /nfs/dbraw/zinc/41/86/19/568418619.db2.gz YHFAFAGUOZXIPD-UHFFFAOYSA-N 0 0 320.436 4.677 50 0 DJAARN Cc1cccc(-c2cncc(C(=O)Nc3cc(F)cc(F)c3)c2)c1 ZINC000035514577 568418648 /nfs/dbraw/zinc/41/86/48/568418648.db2.gz QULZKXXTPQFSDH-UHFFFAOYSA-N 0 0 324.330 4.588 50 0 DJAARN O=C(Cc1cccc2ccccc21)Nc1cnc2ccccc2c1 ZINC000006920089 568418873 /nfs/dbraw/zinc/41/88/73/568418873.db2.gz MHJOAHTYVVRRKZ-UHFFFAOYSA-N 0 0 312.372 4.569 50 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DJAARN C[C@@H](c1ccccc1F)[S@@](=O)CCc1ccccc1Cl ZINC000083080041 185212961 /nfs/dbraw/zinc/21/29/61/185212961.db2.gz NGWGKDDPPPVEGT-FKIZINRSSA-N 0 0 310.821 4.532 50 0 DJAARN O=C(c1ccnc2ccccc21)c1c(Cl)cccc1Cl ZINC000083308779 185221924 /nfs/dbraw/zinc/22/19/24/185221924.db2.gz RLUXZEXHDJVFMQ-UHFFFAOYSA-N 0 0 302.160 4.773 50 0 DJAARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccccc1C ZINC000096920641 185391882 /nfs/dbraw/zinc/39/18/82/185391882.db2.gz WCTJVEXMRKXTBK-XZVRFQMRSA-N 0 0 311.450 4.606 50 0 DJAARN CN(C(=O)/C=C\c1sc2ccccc2c1Cl)C1CCCC1 ZINC000096926018 185392050 /nfs/dbraw/zinc/39/20/50/185392050.db2.gz INKSMVKMHDRVCD-KHPPLWFESA-N 0 0 319.857 4.969 50 0 DJAARN Cc1ccsc1C=C(Cl)c1nc2c(C)cccc2c(=O)[nH]1 ZINC000096931809 185392626 /nfs/dbraw/zinc/39/26/26/185392626.db2.gz FRYSMVKLLXKQKV-XYOKQWHBSA-N 0 0 316.813 4.751 50 0 DJAARN CCC(=O)Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1 ZINC000005077421 190620621 /nfs/dbraw/zinc/62/06/21/190620621.db2.gz SKTCNZIFYRGMTP-YRNVUSSQSA-N 0 0 303.361 4.721 50 0 DJAARN 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O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccco1 ZINC000001426107 180865302 /nfs/dbraw/zinc/86/53/02/180865302.db2.gz QRIQCPMTTBLOOB-UHFFFAOYSA-N 0 0 303.317 4.945 50 0 DJAARN Cc1cc(C)cc(NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000001773574 180895281 /nfs/dbraw/zinc/89/52/81/180895281.db2.gz WLAMRDRJTJVJQT-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN CCCC(=O)c1c(C)oc(C)c1CP(=O)(OCC)OCC ZINC000001874311 180900627 /nfs/dbraw/zinc/90/06/27/180900627.db2.gz VCUFAWVMTSGYRC-UHFFFAOYSA-N 0 0 316.334 4.645 50 0 DJAARN CC(C)(C)SC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002339887 180920310 /nfs/dbraw/zinc/92/03/10/180920310.db2.gz VWXNQAISSPYIOV-AWEZNQCLSA-N 0 0 313.466 4.687 50 0 DJAARN Cc1nn(-c2ccc(Cl)cc2)c(N)c1-c1ccc(Cl)cc1 ZINC000002508493 180928555 /nfs/dbraw/zinc/92/85/55/180928555.db2.gz OPGUQMLNTPAGOM-UHFFFAOYSA-N 0 0 318.207 4.737 50 0 DJAARN FC(F)(F)c1nc2ccccc2c(Cl)c1Br ZINC000002513528 180929160 /nfs/dbraw/zinc/92/91/60/180929160.db2.gz NIZYLEKJSBTGJS-UHFFFAOYSA-N 0 0 310.500 4.670 50 0 DJAARN O=C(CCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000002516709 180930988 /nfs/dbraw/zinc/93/09/88/180930988.db2.gz KOSQOFFRKDXHJQ-UHFFFAOYSA-N 0 0 323.617 4.918 50 0 DJAARN CCCCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000002552451 180934594 /nfs/dbraw/zinc/93/45/94/180934594.db2.gz AKCBNECLPFIJPH-UHFFFAOYSA-N 0 0 324.376 4.648 50 0 biogenic DJAARN CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000002646790 180943547 /nfs/dbraw/zinc/94/35/47/180943547.db2.gz PYXQYKKGXYTTOG-UHFFFAOYSA-N 0 0 323.465 4.954 50 0 DJAARN CC(C)CCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 ZINC000002648865 180944045 /nfs/dbraw/zinc/94/40/45/180944045.db2.gz NDVSNITWSVLSRF-QGOAFFKASA-N 0 0 307.393 4.604 50 0 DJAARN CCc1ccc(NC(=O)CSC/C=C/c2ccccc2)cc1 ZINC000002655155 180944749 /nfs/dbraw/zinc/94/47/49/180944749.db2.gz SKERLGVTJWHPOF-RMKNXTFCSA-N 0 0 311.450 4.634 50 0 DJAARN Cc1c2nc(NC(=O)c3ccc(F)cc3)sc2ccc1Cl ZINC000002713884 180948773 /nfs/dbraw/zinc/94/87/73/180948773.db2.gz LEJNFINXPXSFAW-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN 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Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2Cl)c1 ZINC000003352712 181010424 /nfs/dbraw/zinc/01/04/24/181010424.db2.gz GTGONAFLCMHVMP-UHFFFAOYSA-N 0 0 315.800 4.558 50 0 DJAARN Cc1c2ccccc2oc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000003351834 181010578 /nfs/dbraw/zinc/01/05/78/181010578.db2.gz IVJSOEWOSSSYHP-KRWDZBQOSA-N 0 0 305.377 4.549 50 0 DJAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003352798 181010596 /nfs/dbraw/zinc/01/05/96/181010596.db2.gz NPANGQRACIPYEX-HNNXBMFYSA-N 0 0 304.393 4.587 50 0 DJAARN COc1ccc(-c2csc(-c3cccs3)n2)cc1OC ZINC000003388891 181014518 /nfs/dbraw/zinc/01/45/18/181014518.db2.gz HUIMOYYPZDEASW-UHFFFAOYSA-N 0 0 303.408 4.556 50 0 DJAARN CCCCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000003428193 181018077 /nfs/dbraw/zinc/01/80/77/181018077.db2.gz OUBKHNMOKRLCBO-HXUWFJFHSA-N 0 0 323.436 4.673 50 0 DJAARN Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)o1 ZINC000003426239 181018203 /nfs/dbraw/zinc/01/82/03/181018203.db2.gz NRZHRTCFWBYXFR-SECBINFHSA-N 0 0 312.196 4.694 50 0 DJAARN CCc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000003432217 181018854 /nfs/dbraw/zinc/01/88/54/181018854.db2.gz KZYBCTXDAXOXJE-UHFFFAOYSA-N 0 0 318.214 4.572 50 0 DJAARN O=C(Cc1ccccc1F)Nc1ccccc1Cc1ccccc1 ZINC000003430468 181018887 /nfs/dbraw/zinc/01/88/87/181018887.db2.gz BJNYGMMEMOZNQL-UHFFFAOYSA-N 0 0 319.379 4.598 50 0 DJAARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)C(F)(F)F ZINC000003437779 181019624 /nfs/dbraw/zinc/01/96/24/181019624.db2.gz SNTPVLHSCNZKBN-UHFFFAOYSA-N 0 0 315.294 4.955 50 0 DJAARN Cc1cc2sc(NC(=O)C3(c4ccccc4)CC3)nc2c(C)c1 ZINC000003444235 181020647 /nfs/dbraw/zinc/02/06/47/181020647.db2.gz FDYZEJZMBFQGND-UHFFFAOYSA-N 0 0 322.433 4.583 50 0 DJAARN CSc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000003446900 181020671 /nfs/dbraw/zinc/02/06/71/181020671.db2.gz QANXXEJDRLJOJF-UHFFFAOYSA-N 0 0 311.328 4.680 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1ccccc1C(F)(F)F ZINC000003447401 181021596 /nfs/dbraw/zinc/02/15/96/181021596.db2.gz OMWHNBGADCFICR-UHFFFAOYSA-N 0 0 307.315 4.829 50 0 DJAARN Cc1sc2nc(-c3cccnc3)nc(NC3CCCC3)c2c1C ZINC000003456437 181023041 /nfs/dbraw/zinc/02/30/41/181023041.db2.gz JZXBIEFVGWRKON-UHFFFAOYSA-N 0 0 324.453 4.725 50 0 DJAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCc2ccccc21 ZINC000003517583 181029494 /nfs/dbraw/zinc/02/94/94/181029494.db2.gz IHYWTYZCBNBZHY-UHFFFAOYSA-N 0 0 315.372 4.682 50 0 DJAARN CSc1cccc(NC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000003548816 181032739 /nfs/dbraw/zinc/03/27/39/181032739.db2.gz PTLGNCYKRJNXIT-CMDGGOBGSA-N 0 0 303.814 4.714 50 0 DJAARN CCOCc1c2ccccc2oc1C(=O)Nc1cc(C)cc(C)c1 ZINC000003547180 181033094 /nfs/dbraw/zinc/03/30/94/181033094.db2.gz KAAJMJAHVFRKTP-UHFFFAOYSA-N 0 0 323.392 4.838 50 0 DJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCc2ccccc21 ZINC000003561123 181034596 /nfs/dbraw/zinc/03/45/96/181034596.db2.gz UXBPHWJNNYAQPS-SOFGYWHQSA-N 0 0 318.203 4.596 50 0 aggregator DJAARN Cc1ccc([C@H]2CCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000003588469 181037706 /nfs/dbraw/zinc/03/77/06/181037706.db2.gz LBACMIIDYWDBTM-HNNXBMFYSA-N 0 0 314.816 4.670 50 0 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CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 ZINC000005421526 181241340 /nfs/dbraw/zinc/24/13/40/181241340.db2.gz WJQRVWMBEOIZGG-LJQANCHMSA-N 0 0 311.425 4.825 50 0 DJAARN COc1ccc(CCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000005526976 181253992 /nfs/dbraw/zinc/25/39/92/181253992.db2.gz ODYAQYDTHRDXTK-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000005529144 181254025 /nfs/dbraw/zinc/25/40/25/181254025.db2.gz MZRZIDNDIZYVMP-WMZOPIPTSA-N 0 0 312.800 4.620 50 0 DJAARN Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000005549087 181256174 /nfs/dbraw/zinc/25/61/74/181256174.db2.gz AAVXLYDIKAOJPV-OAQYLSRUSA-N 0 0 315.416 4.709 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000005559676 181257485 /nfs/dbraw/zinc/25/74/85/181257485.db2.gz BMZNLXAMSXLMPO-UHFFFAOYSA-N 0 0 307.315 4.883 50 0 DJAARN CCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000005558824 181257511 /nfs/dbraw/zinc/25/75/11/181257511.db2.gz TYHBOEWHVADPDR-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 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COc1ccccc1CSc1nc2cc(Cl)ccc2[nH]1 ZINC000006610430 181361055 /nfs/dbraw/zinc/36/10/55/181361055.db2.gz GISRSDFPMKBGEV-UHFFFAOYSA-N 0 0 304.802 4.517 50 0 DJAARN Cc1cc(C)cc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000006638699 181363983 /nfs/dbraw/zinc/36/39/83/181363983.db2.gz CNIGPINQPIBSQP-QGZVFWFLSA-N 0 0 309.453 4.993 50 0 DJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccc(Cl)cc1Cl ZINC000006741003 181380683 /nfs/dbraw/zinc/38/06/83/181380683.db2.gz FZRRIFPZJGILFV-NXEZZACHSA-N 0 0 301.217 4.788 50 0 DJAARN Cc1cccc(C(=O)N(Cc2ccco2)Cc2ccc(F)cc2)c1 ZINC000006747493 181382395 /nfs/dbraw/zinc/38/23/95/181382395.db2.gz NGVSTCKIJBNGCF-UHFFFAOYSA-N 0 0 323.367 4.570 50 0 DJAARN Cc1cccc(-c2nc(COc3ccc(Cl)c(C)c3)no2)c1 ZINC000006747899 181382656 /nfs/dbraw/zinc/38/26/56/181382656.db2.gz HLUKFSWEANVXHM-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000006763576 181385531 /nfs/dbraw/zinc/38/55/31/181385531.db2.gz JEZHBMIUALIBFH-ZDUSSCGKSA-N 0 0 309.340 4.577 50 0 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ZINC000020539404 182228750 /nfs/dbraw/zinc/22/87/50/182228750.db2.gz UCCMKJHEZILILH-UHFFFAOYSA-N 0 0 324.424 4.543 50 0 DJAARN Cc1ccccc1CSCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020677375 182243202 /nfs/dbraw/zinc/24/32/02/182243202.db2.gz DDJIBMUHMKBTNN-QGPMSJSTSA-N 0 0 319.514 4.559 50 0 DJAARN c1cn(Cc2cccnc2)nc1-c1cccc(-c2ccccc2)c1 ZINC000020777790 182246808 /nfs/dbraw/zinc/24/68/08/182246808.db2.gz HHSNBLBFIZGVIX-UHFFFAOYSA-N 0 0 311.388 4.660 50 0 DJAARN Cc1cc(OC(=O)c2cc(-c3cccs3)on2)ccc1Cl ZINC000020896648 182252342 /nfs/dbraw/zinc/25/23/42/182252342.db2.gz XNNACULZFJEOCR-UHFFFAOYSA-N 0 0 319.769 4.584 50 0 DJAARN CCc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)cc1 ZINC000020997035 182257959 /nfs/dbraw/zinc/25/79/59/182257959.db2.gz SORFZCKFIHIPES-QGZVFWFLSA-N 0 0 324.449 4.730 50 0 DJAARN Cc1ccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)c(C)c1 ZINC000020997105 182258176 /nfs/dbraw/zinc/25/81/76/182258176.db2.gz KJHNHNIUPWYEIW-KRWDZBQOSA-N 0 0 324.449 4.785 50 0 DJAARN Cc1ccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c(C)c1 ZINC000020997106 182258234 /nfs/dbraw/zinc/25/82/34/182258234.db2.gz KJHNHNIUPWYEIW-QGZVFWFLSA-N 0 0 324.449 4.785 50 0 DJAARN Cc1ccccc1NC(=O)C[C@H](c1ccccc1C)n1cccc1 ZINC000020998677 182258792 /nfs/dbraw/zinc/25/87/92/182258792.db2.gz QAOMQJRDJIYCPM-HXUWFJFHSA-N 0 0 318.420 4.723 50 0 DJAARN Cc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)c(C)c1 ZINC000021016185 182260788 /nfs/dbraw/zinc/26/07/88/182260788.db2.gz WKJZENXHPTYAAC-FQEVSTJZSA-N 0 0 318.420 4.723 50 0 DJAARN Cc1cc(F)ccc1NC(=O)C[C@H](c1ccccc1)n1cccc1 ZINC000021016281 182260985 /nfs/dbraw/zinc/26/09/85/182260985.db2.gz QHTOCNIUJMLPKA-LJQANCHMSA-N 0 0 322.383 4.554 50 0 DJAARN O=C1C[C@H](c2ccc(O)cc2)c2scc(-c3ccccc3)c2N1 ZINC000021157620 182267128 /nfs/dbraw/zinc/26/71/28/182267128.db2.gz BVDJYBWLIQANMT-OAHLLOKOSA-N 0 0 321.401 4.595 50 0 DJAARN Cc1[nH]c2ccccc2c1C(=O)CSCc1ccccc1F ZINC000021275579 182270318 /nfs/dbraw/zinc/27/03/18/182270318.db2.gz WRTZWECWRJFNIM-UHFFFAOYSA-N 0 0 313.397 4.732 50 0 DJAARN CC(C)c1nnc(SC(c2ccccc2)c2ccccc2)[nH]1 ZINC000021233734 182270496 /nfs/dbraw/zinc/27/04/96/182270496.db2.gz PMCRSTISPOWFKM-UHFFFAOYSA-N 0 0 309.438 4.810 50 0 DJAARN O=C(Nc1nc2ccccc2s1)Nc1ccc(F)c(Cl)c1 ZINC000021525491 182278637 /nfs/dbraw/zinc/27/86/37/182278637.db2.gz LDSVTQVRYDOPGV-UHFFFAOYSA-N 0 0 321.764 4.733 50 0 DJAARN Cc1ccc(NC(=O)c2ncoc2-c2cccs2)c(Cl)c1 ZINC000021641827 182281888 /nfs/dbraw/zinc/28/18/88/182281888.db2.gz OAWUDXBIBHPZSK-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN CCCOc1ccc(Oc2ncnc3sc(C)c(C)c32)cc1 ZINC000021641419 182282190 /nfs/dbraw/zinc/28/21/90/182282190.db2.gz UMSSASUNGHTBKW-UHFFFAOYSA-N 0 0 314.410 4.889 50 0 DJAARN Cc1ccc(NC(=O)c2ncoc2-c2cccs2)cc1Cl ZINC000021641785 182282227 /nfs/dbraw/zinc/28/22/27/182282227.db2.gz GNRDMYDGWOMVBF-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN C/C=C/c1ccc(O[C@@H](C)c2nc3ccccc3[nH]2)c(OC)c1 ZINC000021658894 182282633 /nfs/dbraw/zinc/28/26/33/182282633.db2.gz YIRDRBWMTHCFKI-LVDDQXARSA-N 0 0 308.381 4.745 50 0 biogenic DJAARN CC[C@H](C)c1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1 ZINC000021713364 182284659 /nfs/dbraw/zinc/28/46/59/182284659.db2.gz HISOWCYSXOXYQW-ZDUSSCGKSA-N 0 0 321.428 4.536 50 0 DJAARN Cc1cc(C)c(C)c(CN2c3ccccc3N[C@@H](C)CC2=O)c1C ZINC000021793486 182289868 /nfs/dbraw/zinc/28/98/68/182289868.db2.gz NJBNGKAQZHMGNB-HNNXBMFYSA-N 0 0 322.452 4.658 50 0 DJAARN Cc1nn2c(nc(C)cc2NC2CCCC2)c1-c1ccc(F)cc1 ZINC000021798865 182290724 /nfs/dbraw/zinc/29/07/24/182290724.db2.gz INDNKTRXQUYXNL-UHFFFAOYSA-N 0 0 324.403 4.507 50 0 DJAARN Cc1cc([C@H]2CCCN2Cc2cn(C(C)C)c3ccccc23)no1 ZINC000021719816 182286734 /nfs/dbraw/zinc/28/67/34/182286734.db2.gz JPVRRRQLRVVVEA-HXUWFJFHSA-N 0 0 323.440 4.856 50 0 DJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CC1CCCC1 ZINC000022319340 182317861 /nfs/dbraw/zinc/31/78/61/182317861.db2.gz ANQDLTQMTDGEBC-UHFFFAOYSA-N 0 0 323.458 4.567 50 0 DJAARN CCCN(CCC)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000022335454 182319072 /nfs/dbraw/zinc/31/90/72/182319072.db2.gz WXERRZUVHWQOGB-UHFFFAOYSA-N 0 0 305.418 4.816 50 0 DJAARN CCC(CC)C(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000022341093 182319338 /nfs/dbraw/zinc/31/93/38/182319338.db2.gz VJUMFZBCOFTWOE-NRFANRHFSA-N 0 0 321.464 4.905 50 0 DJAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2c1C ZINC000022766285 182332933 /nfs/dbraw/zinc/33/29/33/182332933.db2.gz SQQRREDFAAQKAZ-HXUWFJFHSA-N 0 0 318.420 4.762 50 0 DJAARN c1ccc2c(c1)Cc1cc(CNc3ccc4c(c3)OCO4)ccc1-2 ZINC000023280044 182355587 /nfs/dbraw/zinc/35/55/87/182355587.db2.gz VHFABGPIOHTUGH-UHFFFAOYSA-N 0 0 315.372 4.599 50 0 DJAARN Cc1cc(SCc2ccc(Cl)nc2)nc2ccccc12 ZINC000023374679 182358783 /nfs/dbraw/zinc/35/87/83/182358783.db2.gz MYPBZZDDGRWNQL-UHFFFAOYSA-N 0 0 300.814 4.884 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc1C ZINC000024004174 182372003 /nfs/dbraw/zinc/37/20/03/182372003.db2.gz LJCKDVBTUVZDET-UHFFFAOYSA-N 0 0 315.316 4.516 50 0 DJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccccc1 ZINC000024716155 182388984 /nfs/dbraw/zinc/38/89/84/182388984.db2.gz SLBVEQRKRCTORY-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccc(C)c2sc(NC(=O)CCc3cccs3)nc21 ZINC000024553942 182383273 /nfs/dbraw/zinc/38/32/73/182383273.db2.gz NQCFRTDATDNPGM-UHFFFAOYSA-N 0 0 316.451 4.546 50 0 DJAARN C[C@@H](NC(=O)CCc1ccsc1)c1cccc2ccccc21 ZINC000024650095 182385934 /nfs/dbraw/zinc/38/59/34/182385934.db2.gz MNNXCTJKACQXGJ-CQSZACIVSA-N 0 0 309.434 4.711 50 0 DJAARN CC(C)C(=O)Nc1ccc(-c2csc(-c3ccco3)n2)cc1 ZINC000024926256 182395274 /nfs/dbraw/zinc/39/52/74/182395274.db2.gz VFSBYQLFQNHCCL-UHFFFAOYSA-N 0 0 312.394 4.665 50 0 DJAARN CCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000025425630 182415368 /nfs/dbraw/zinc/41/53/68/182415368.db2.gz WCQZUEHPYUSZPJ-UHFFFAOYSA-N 0 0 307.315 4.512 50 0 DJAARN O=C1Nc2ccccc2CC[C@@H]1Sc1ccc2ccccc2c1 ZINC000032102190 182635673 /nfs/dbraw/zinc/63/56/73/182635673.db2.gz WWWNYWWOTTUKBU-IBGZPJMESA-N 0 0 319.429 4.885 50 0 DJAARN Cc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1C ZINC000032753933 182658895 /nfs/dbraw/zinc/65/88/95/182658895.db2.gz JHERCZXBTZOVMQ-HNNXBMFYSA-N 0 0 307.393 4.883 50 0 DJAARN C[C@H](NC(=O)CCCc1cccs1)c1ccc(Cl)s1 ZINC000036394129 182823503 /nfs/dbraw/zinc/82/35/03/182823503.db2.gz XCRCMWXBNLMFMZ-JTQLQIEISA-N 0 0 313.875 4.663 50 0 DJAARN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccccc2Cl)c1 ZINC000036390674 182822849 /nfs/dbraw/zinc/82/28/49/182822849.db2.gz OMRXWAHBOLMYGZ-CYBMUJFWSA-N 0 0 317.816 4.618 50 0 DJAARN CCc1cc(C(=O)Nc2ccnn2C2CCCCC2)sc1C ZINC000036391986 182822925 /nfs/dbraw/zinc/82/29/25/182822925.db2.gz SKBOUDJFPZNHKF-UHFFFAOYSA-N 0 0 317.458 4.573 50 0 DJAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000036561801 182827307 /nfs/dbraw/zinc/82/73/07/182827307.db2.gz ZOBDAYROEWWVSD-UHFFFAOYSA-N 0 0 311.425 4.527 50 0 DJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1 ZINC000036620645 182829864 /nfs/dbraw/zinc/82/98/64/182829864.db2.gz RZKYOPDPBNOEIR-IBGZPJMESA-N 0 0 324.424 4.763 50 0 DJAARN O=C(c1c(F)cccc1F)N1CCC[C@@H]1c1ccccc1Cl ZINC000036620946 182830048 /nfs/dbraw/zinc/83/00/48/182830048.db2.gz CEVXLPDCGAZGHV-OAHLLOKOSA-N 0 0 321.754 4.596 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000036620549 182830090 /nfs/dbraw/zinc/83/00/90/182830090.db2.gz OSDSTZBDTAIMFO-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000036621215 182830683 /nfs/dbraw/zinc/83/06/83/182830683.db2.gz IKJYYGLMXSVFQJ-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN CC(C)c1nc(-c2ccc(OCc3ccc(F)cc3)cc2)no1 ZINC000037553595 182906952 /nfs/dbraw/zinc/90/69/52/182906952.db2.gz CCTSLJNRMBVXEZ-UHFFFAOYSA-N 0 0 312.344 4.578 50 0 DJAARN CSc1nc2ccc(NC(=O)Nc3cccs3)cc2s1 ZINC000038671350 183006181 /nfs/dbraw/zinc/00/61/81/183006181.db2.gz KRILJXDESUOPTM-UHFFFAOYSA-N 0 0 321.452 4.724 50 0 DJAARN O=C1Nc2ccc(Cl)cc2/C1=C\c1cccc2ccccc12 ZINC000038198469 182995370 /nfs/dbraw/zinc/99/53/70/182995370.db2.gz CVKKDXATCDROLA-LICLKQGHSA-N 0 0 305.764 4.986 50 0 DJAARN O=C(/C=C/c1ccc(-c2ccccc2F)s1)Nc1ccccn1 ZINC000040052403 183029692 /nfs/dbraw/zinc/02/96/92/183029692.db2.gz ZFOYNAJIVJDESZ-PKNBQFBNSA-N 0 0 324.380 4.601 50 0 DJAARN Cc1ccc(-c2nc(CSc3cc(F)ccc3F)no2)cc1 ZINC000040051663 183030230 /nfs/dbraw/zinc/03/02/30/183030230.db2.gz ACVNWXQIRPWOGY-UHFFFAOYSA-N 0 0 318.348 4.616 50 0 DJAARN CN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000040049947 183030249 /nfs/dbraw/zinc/03/02/49/183030249.db2.gz VAMWJKPVRUGDIA-MRXNPFEDSA-N 0 0 320.219 4.753 50 0 DJAARN CCCCNc1cc(C)nc2c(C)c(-c3ccc(C)cc3)nn21 ZINC000040216909 183046555 /nfs/dbraw/zinc/04/65/55/183046555.db2.gz IWZHEXQWYURHJC-UHFFFAOYSA-N 0 0 308.429 4.534 50 0 DJAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2NC1CCCC1 ZINC000040216797 183046583 /nfs/dbraw/zinc/04/65/83/183046583.db2.gz XVSXCYBZOJQNFA-UHFFFAOYSA-N 0 0 320.440 4.676 50 0 DJAARN CSc1ccc([C@H](C)NC(=O)c2c(F)cccc2Cl)cc1 ZINC000040090508 183033784 /nfs/dbraw/zinc/03/37/84/183033784.db2.gz JLDSCUOLQCRKRF-JTQLQIEISA-N 0 0 323.820 4.692 50 0 DJAARN CSc1ccc(CN(C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000040095346 183034011 /nfs/dbraw/zinc/03/40/11/183034011.db2.gz LHMWALKTFYFSPI-UHFFFAOYSA-N 0 0 314.454 4.689 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)NCc1ccc(F)c(C)c1 ZINC000040098042 183034936 /nfs/dbraw/zinc/03/49/36/183034936.db2.gz CMUQPULQMBSLCR-UHFFFAOYSA-N 0 0 314.404 4.888 50 0 DJAARN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccsc1 ZINC000040105510 183035709 /nfs/dbraw/zinc/03/57/09/183035709.db2.gz RCWJWVSADHFEIS-KRWDZBQOSA-N 0 0 312.438 4.606 50 0 DJAARN CCCCc1nc(CN(C)[C@@H](C)c2ccccc2OC)cs1 ZINC000040120432 183037589 /nfs/dbraw/zinc/03/75/89/183037589.db2.gz FUYGZGOPSDJVIG-AWEZNQCLSA-N 0 0 318.486 4.687 50 0 DJAARN Cc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc1C ZINC000040139547 183039037 /nfs/dbraw/zinc/03/90/37/183039037.db2.gz BHFXPLKYUNRDRU-GDNBJRDFSA-N 0 0 310.784 4.689 50 0 DJAARN O=C1C[C@@H](c2cccc(O)c2)c2snc(-c3ccccc3)c2N1 ZINC000040285937 183051135 /nfs/dbraw/zinc/05/11/35/183051135.db2.gz IDJSNASRXYAKNY-AWEZNQCLSA-N 0 0 322.389 4.639 50 0 DJAARN S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 ZINC000040545126 183099391 /nfs/dbraw/zinc/09/93/91/183099391.db2.gz TYDOEMGHFZGMIC-UHFFFAOYSA-N 0 0 317.502 4.914 50 0 DJAARN c1ccc(CNc2nc(NC3CCCC3)nc3ccccc32)cc1 ZINC000041151197 183178813 /nfs/dbraw/zinc/17/88/13/183178813.db2.gz WMCSPIIELLTMJR-UHFFFAOYSA-N 0 0 318.424 4.596 50 0 DJAARN O=C(Nc1ccccc1Cl)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000043146974 183341628 /nfs/dbraw/zinc/34/16/28/183341628.db2.gz UFLYLLDNEBKEBP-ZJUUUORDSA-N 0 0 320.742 4.583 50 0 DJAARN CCCCCCc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 ZINC000043209873 183344543 /nfs/dbraw/zinc/34/45/43/183344543.db2.gz SLSXSRKOLPIEAR-UHFFFAOYSA-N 0 0 324.420 4.966 50 0 DJAARN Cc1cccc(CCC(=O)c2ccc(Br)c(F)c2)c1 ZINC000043211976 183344900 /nfs/dbraw/zinc/34/49/00/183344900.db2.gz QYOXJXBVLLAPQJ-UHFFFAOYSA-N 0 0 321.189 4.712 50 0 DJAARN Cc1cccc(C)c1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000043358360 183357171 /nfs/dbraw/zinc/35/71/71/183357171.db2.gz OPECBMQJOJEVDT-ZDUSSCGKSA-N 0 0 302.805 4.840 50 0 DJAARN COc1cc(Cl)c(C)cc1N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000044072352 183393473 /nfs/dbraw/zinc/39/34/73/183393473.db2.gz KOYXPUJORVZLEK-SNVBAGLBSA-N 0 0 323.824 4.511 50 0 DJAARN CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000044087453 183394483 /nfs/dbraw/zinc/39/44/83/183394483.db2.gz WZKIKKYLYFYPAP-UHFFFAOYSA-N 0 0 300.814 4.915 50 0 DJAARN CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl ZINC000044699442 183433934 /nfs/dbraw/zinc/43/39/34/183433934.db2.gz YPBCAMNSNFVYQL-UHFFFAOYSA-N 0 0 324.207 4.843 50 0 in-vitro DJAARN Cc1oc(-c2ccsc2)nc1COc1cccc(F)c1F ZINC000057933348 184062900 /nfs/dbraw/zinc/06/29/00/184062900.db2.gz RNSIQHOLJHNZMW-UHFFFAOYSA-N 0 0 307.321 4.569 50 0 DJAARN Cc1[nH]c2c(cc(C)cc2CNc2nc3ccccc3o2)c1C ZINC000057991399 184065546 /nfs/dbraw/zinc/06/55/46/184065546.db2.gz OXFRXMBPZCASKK-UHFFFAOYSA-N 0 0 305.381 4.846 50 0 DJAARN CCCCSc1nnc(SCCOCCC(C)C)s1 ZINC000058162720 184082943 /nfs/dbraw/zinc/08/29/43/184082943.db2.gz UZSUKALZZDZWFD-UHFFFAOYSA-N 0 0 320.549 4.585 50 0 DJAARN O=[S@@](Cc1ccc(Cl)cc1)Cc1cccc2ccccc21 ZINC000058168087 184083827 /nfs/dbraw/zinc/08/38/27/184083827.db2.gz BQYOQMMGLRBYDZ-OAQYLSRUSA-N 0 0 314.837 4.942 50 0 DJAARN Cc1ccccc1CSCc1nnc(-c2ccc(F)cc2)o1 ZINC000058172216 184084472 /nfs/dbraw/zinc/08/44/72/184084472.db2.gz NQIKNJQYWYKOFV-UHFFFAOYSA-N 0 0 314.385 4.618 50 0 DJAARN O=[S@@](Cc1ccc(Cl)cc1)Cc1c(F)cccc1Cl ZINC000058201657 184087096 /nfs/dbraw/zinc/08/70/96/184087096.db2.gz QJBRIMXNZVNLJM-LJQANCHMSA-N 0 0 317.212 4.581 50 0 DJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000058229139 184091565 /nfs/dbraw/zinc/09/15/65/184091565.db2.gz VOOPVFVFYJETET-NRFANRHFSA-N 0 0 300.467 4.741 50 0 DJAARN COc1ccc2nc(/C=C/c3cccnc3Cl)sc2c1 ZINC000058325171 184105163 /nfs/dbraw/zinc/10/51/63/184105163.db2.gz SLYSMPVHOSLEJA-QPJJXVBHSA-N 0 0 302.786 4.524 50 0 DJAARN Cc1cc(N[C@H](C)c2ccc(Cl)cc2)nc(-c2ccncc2)n1 ZINC000060217835 184145424 /nfs/dbraw/zinc/14/54/24/184145424.db2.gz LLQAKYBKJTXYOQ-CYBMUJFWSA-N 0 0 324.815 4.674 50 0 DJAARN C[C@@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)c2ccccc21 ZINC000060245823 184145521 /nfs/dbraw/zinc/14/55/21/184145521.db2.gz AOEQBQLYKUBAFP-SNVBAGLBSA-N 0 0 321.207 4.542 50 0 DJAARN Clc1ccccc1-c1csc(NCCc2ccccn2)n1 ZINC000060378202 184147443 /nfs/dbraw/zinc/14/74/43/184147443.db2.gz GDQOSZNXWFHLID-UHFFFAOYSA-N 0 0 315.829 4.513 50 0 DJAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C1CCCC1 ZINC000059312900 184136783 /nfs/dbraw/zinc/13/67/83/184136783.db2.gz QAKRZHYRGMNLMR-UHFFFAOYSA-N 0 0 320.392 4.932 50 0 DJAARN Cc1noc(C)c1CN([C@H](C)c1ccccc1Cl)C1CC1 ZINC000059334081 184136868 /nfs/dbraw/zinc/13/68/68/184136868.db2.gz QGHJBQVZHCQRMN-GFCCVEGCSA-N 0 0 304.821 4.670 50 0 DJAARN Clc1c(Cl)c(Br)ccc1Br ZINC000063339653 184280819 /nfs/dbraw/zinc/28/08/19/184280819.db2.gz YKQCCQSRNJMDMD-UHFFFAOYSA-N 0 0 304.796 4.518 50 0 DJAARN Cc1c(Cl)c(Br)c(Cl)cc1Br ZINC000063142581 184273846 /nfs/dbraw/zinc/27/38/46/184273846.db2.gz XMCAVTKZXXWDEJ-UHFFFAOYSA-N 0 0 318.823 4.827 50 0 DJAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc(Cl)cc1 ZINC000064579899 184300709 /nfs/dbraw/zinc/30/07/09/184300709.db2.gz SBGGLACIUPATOB-SFHVURJKSA-N 0 0 313.828 4.555 50 0 DJAARN c1cn2cc(CSC3=Nc4ccccc4CS3)nc2s1 ZINC000064313855 184293576 /nfs/dbraw/zinc/29/35/76/184293576.db2.gz LHUDALUCWMSRHJ-UHFFFAOYSA-N 0 0 317.464 4.564 50 0 DJAARN Cc1ccc(-c2cncc(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000064568262 184300181 /nfs/dbraw/zinc/30/01/81/184300181.db2.gz AQYRHNGMFLNNAE-UHFFFAOYSA-N 0 0 316.404 4.926 50 0 DJAARN Cc1ccc(-c2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000064568251 184300472 /nfs/dbraw/zinc/30/04/72/184300472.db2.gz KEWFYKJMJRRRJB-UHFFFAOYSA-N 0 0 316.404 4.926 50 0 DJAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1cccc(Cl)c1 ZINC000064579897 184300602 /nfs/dbraw/zinc/30/06/02/184300602.db2.gz AZMMSLLABBFGPG-SFHVURJKSA-N 0 0 313.828 4.555 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000064579843 184300641 /nfs/dbraw/zinc/30/06/41/184300641.db2.gz RYNNIZBOJATKCT-SFHVURJKSA-N 0 0 313.828 4.555 50 0 DJAARN Cc1nc(-c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cs1 ZINC000064677365 184302949 /nfs/dbraw/zinc/30/29/49/184302949.db2.gz CRLGOGSNLYYKSY-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN Cc1ccc(-c2noc3c2ncnc3Nc2cccc(C)c2)cc1 ZINC000064835076 184304153 /nfs/dbraw/zinc/30/41/53/184304153.db2.gz VMZLEAVELDWDBY-UHFFFAOYSA-N 0 0 316.364 4.645 50 0 DJAARN Cc1cc(C)c(CNc2cc(NC(=O)C3CC3)ccc2C)c(C)c1 ZINC000064948848 184306711 /nfs/dbraw/zinc/30/67/11/184306711.db2.gz AIVLQWBAANCPMN-UHFFFAOYSA-N 0 0 322.452 4.881 50 0 DJAARN Cc1cccc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cn2)c1 ZINC000065030027 184308969 /nfs/dbraw/zinc/30/89/69/184308969.db2.gz VELXDSCTKSFXID-UHFFFAOYSA-N 0 0 316.404 4.926 50 0 DJAARN Cc1ccc(-c2ccc(C(=O)NCCC3=CCCCC3)cn2)cc1 ZINC000065030091 184309047 /nfs/dbraw/zinc/30/90/47/184309047.db2.gz UMHHAWAKVGJBOS-UHFFFAOYSA-N 0 0 320.436 4.677 50 0 DJAARN Cc1cccc(C)c1NC(=O)c1ccnc(-c2ccsc2)c1 ZINC000065063140 184309926 /nfs/dbraw/zinc/30/99/26/184309926.db2.gz KDJMWRWMSIAOJC-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN Cc1nc2cc(-c3noc(-c4ccc(Cl)s4)n3)ccc2o1 ZINC000065149646 184311477 /nfs/dbraw/zinc/31/14/77/184311477.db2.gz GFDCZUQOXAEZDM-UHFFFAOYSA-N 0 0 317.757 4.568 50 0 DJAARN CCC(CC)n1ncc2c1NC(=O)C[C@@H]2/C(C)=C/c1ccccc1 ZINC000065393416 184333804 /nfs/dbraw/zinc/33/38/04/184333804.db2.gz PLCWTGKIOZCKGB-GWKQRERASA-N 0 0 323.440 4.774 50 0 DJAARN COc1ccccc1NC(=O)c1cc2cn(C(C)C)cc2s1 ZINC000065285414 184321228 /nfs/dbraw/zinc/32/12/28/184321228.db2.gz HOJKRPWPSQNGDR-UHFFFAOYSA-N 0 0 314.410 4.545 50 0 DJAARN CC(C)=Cc1c(-c2ccccc2)ncn1[C@@H](C)Cc1cnccn1 ZINC000065410703 184340011 /nfs/dbraw/zinc/34/00/11/184340011.db2.gz PEBALKINNHMOKU-INIZCTEOSA-N 0 0 318.424 4.567 50 0 DJAARN Cc1ccc(-c2nc(CN3CCC[C@H]3c3ccc[nH]3)co2)c(C)c1 ZINC000065565557 184367107 /nfs/dbraw/zinc/36/71/07/184367107.db2.gz YWNJZQUCXXOBBG-IBGZPJMESA-N 0 0 321.424 4.624 50 0 DJAARN CN(C(=O)c1cc2c(s1)CCC2)c1ccc(C(C)(C)C)cc1 ZINC000065860724 184381452 /nfs/dbraw/zinc/38/14/52/184381452.db2.gz TYILNPUIURFZQJ-UHFFFAOYSA-N 0 0 313.466 4.811 50 0 DJAARN Cc1c2c(cc(-c3ccccc3)oc2=O)c(-c2ccccc2)n1C ZINC000067340089 184460692 /nfs/dbraw/zinc/46/06/92/184460692.db2.gz SSPSWONFEHEZFU-UHFFFAOYSA-N 0 0 315.372 4.774 50 0 DJAARN FC(F)(F)Oc1ccccc1NCc1csc(C2CC2)n1 ZINC000158388191 197267807 /nfs/dbraw/zinc/26/78/07/197267807.db2.gz DTJQXFATDAZWSY-UHFFFAOYSA-N 0 0 314.332 4.531 50 0 DJAARN CCc1cccc(C)c1NC(=O)[C@H](C)SCc1ccccc1 ZINC000000471094 256512986 /nfs/dbraw/zinc/51/29/86/256512986.db2.gz SYSITNYRODSOGG-HNNXBMFYSA-N 0 0 313.466 4.818 50 0 DJAARN COc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 ZINC000000618327 256513848 /nfs/dbraw/zinc/51/38/48/256513848.db2.gz SOCKWPIVXOIOAL-UHFFFAOYSA-N 0 0 303.361 4.615 50 0 DJAARN Brc1cccc(-c2csc(-c3ccco3)n2)c1 ZINC000012735637 256525169 /nfs/dbraw/zinc/52/51/69/256525169.db2.gz XBTCUQXRNIVWIJ-UHFFFAOYSA-N 0 0 306.184 4.833 50 0 DJAARN C[C@@H](C(=O)Nc1scnc1-c1ccccc1)c1cccs1 ZINC000152990842 256587342 /nfs/dbraw/zinc/58/73/42/256587342.db2.gz RKPCRNITUPLBRR-LLVKDONJSA-N 0 0 314.435 4.614 50 0 DJAARN c1c(CSCc2cccc3ccccc32)nc2ccccn12 ZINC000521398326 257235184 /nfs/dbraw/zinc/23/51/84/257235184.db2.gz OHMDLLCSNNVFMB-UHFFFAOYSA-N 0 0 304.418 4.921 50 0 DJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1cccc(Cl)c1Cl ZINC000006726793 257242884 /nfs/dbraw/zinc/24/28/84/257242884.db2.gz RFENEHUZVCEKNK-NXEZZACHSA-N 0 0 301.217 4.788 50 0 DJAARN CC(=O)c1ccc(NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 ZINC000000129189 257266446 /nfs/dbraw/zinc/26/64/46/257266446.db2.gz BTNDQCOBQGFBBK-AWNIVKPZSA-N 0 0 307.393 4.665 50 0 DJAARN Cc1cccc(C)c1OC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000129526 257266518 /nfs/dbraw/zinc/26/65/18/257266518.db2.gz LMVIVOWDCOTMPS-UHFFFAOYSA-N 0 0 318.800 4.558 50 0 DJAARN c1coc(-c2nc(CN3CCC[C@H]3c3ccccc3)cs2)c1 ZINC000012730379 257268262 /nfs/dbraw/zinc/26/82/62/257268262.db2.gz QZURTYXGWKGPIO-INIZCTEOSA-N 0 0 310.422 4.740 50 0 DJAARN Cc1cccc2c1N(C(=S)Nc1cccc(Cl)c1)CCC2 ZINC000000067423 134426650 /nfs/dbraw/zinc/42/66/50/134426650.db2.gz WTKGVBAJELVHIH-UHFFFAOYSA-N 0 0 316.857 4.798 50 0 DJAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc2c(s1)CCCC2 ZINC000020606442 134648416 /nfs/dbraw/zinc/64/84/16/134648416.db2.gz ZYMXTNJCTUMZSM-UHFFFAOYSA-N 0 0 311.450 4.528 50 0 DJAARN CC[C@H]1CCCCN1C(=S)Nc1ccc(Cl)cc1Cl ZINC000003225214 262510390 /nfs/dbraw/zinc/51/03/90/262510390.db2.gz JQSKQROMMFXRIT-NSHDSACASA-N 0 0 317.285 4.955 50 0 DJAARN Cc1cc2c3c(C)n(-c4ccc(C)cc4)c(C)c3c(C)nn2c1 ZINC000000540257 331463643 /nfs/dbraw/zinc/46/36/43/331463643.db2.gz WMIQZRAJUIOLFW-UHFFFAOYSA-N 0 0 303.409 4.820 50 0 DJAARN O=C(NCCC1=CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000001001802 331465201 /nfs/dbraw/zinc/46/52/01/331465201.db2.gz BIBGOYBYVONXKS-UHFFFAOYSA-N 0 0 305.421 4.974 50 0 DJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cccs1 ZINC000003999061 331484208 /nfs/dbraw/zinc/48/42/08/331484208.db2.gz LLRKLTNKFHSDKD-SINXNMPMSA-N 0 0 324.449 4.616 50 0 biogenic DJAARN CC(C)c1ccc(C(=O)c2cccc(Br)c2)cc1 ZINC000004241850 331485356 /nfs/dbraw/zinc/48/53/56/331485356.db2.gz XUIHEUNSUDJGCC-UHFFFAOYSA-N 0 0 303.199 4.804 50 0 DJAARN C[C@@H](Oc1ccc2ccccc2c1)c1nnc([C@@H]2CCCCO2)o1 ZINC000521393869 331567577 /nfs/dbraw/zinc/56/75/77/331567577.db2.gz BNUXJIBEMKRKBI-DYVFJYSZSA-N 0 0 324.380 4.604 50 0 DJAARN Cc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1C ZINC000020538354 333357387 /nfs/dbraw/zinc/35/73/87/333357387.db2.gz SDOIVOUBYFDEIA-CYBMUJFWSA-N 0 0 302.805 4.840 50 0 DJAARN COC(=O)c1cc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)c1 ZINC000328579155 533714887 /nfs/dbraw/zinc/71/48/87/533714887.db2.gz WQYAJTPCOWXYOU-UHFFFAOYSA-N 0 0 317.388 4.819 50 0 DJAARN Cc1cc(OC(=O)Nc2cc(F)ccc2F)cc(C)c1Cl ZINC000000398340 336220111 /nfs/dbraw/zinc/22/01/11/336220111.db2.gz JUEAXTMZZVPJMQ-UHFFFAOYSA-N 0 0 311.715 4.846 50 0 DJAARN COc1ccc(C)cc1NC(=O)Oc1cc(C)c(C)cc1Cl ZINC000000398435 336220157 /nfs/dbraw/zinc/22/01/57/336220157.db2.gz RBIVRMSGRVFCNB-UHFFFAOYSA-N 0 0 319.788 4.885 50 0 DJAARN CSc1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000000401563 336220230 /nfs/dbraw/zinc/22/02/30/336220230.db2.gz XTBYKFAEWHNCOZ-UHFFFAOYSA-N 0 0 307.802 4.981 50 0 DJAARN COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000000619432 563631775 /nfs/dbraw/zinc/63/17/75/563631775.db2.gz VMBFZFDBTFFTSZ-UHFFFAOYSA-N 0 0 312.196 4.623 50 0 DJAARN CC(C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000229880430 563870760 /nfs/dbraw/zinc/87/07/60/563870760.db2.gz NKUGDFKQHFZHIK-SOUVJXGZSA-N 0 0 319.411 4.640 50 0 DJAARN Clc1ccc(SCc2ccc(-c3nnco3)cc2)cc1 ZINC000002150714 563916095 /nfs/dbraw/zinc/91/60/95/563916095.db2.gz UEDJSWMBOAWXIB-UHFFFAOYSA-N 0 0 302.786 4.682 50 0 DJAARN CC(C)(NCc1ccncc1Cl)c1ccc(F)cc1Cl ZINC000095963080 563932589 /nfs/dbraw/zinc/93/25/89/563932589.db2.gz GULVJAPKVOLTEB-UHFFFAOYSA-N 0 0 313.203 4.552 50 0 DJAARN CC(C)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 ZINC000008225392 563947139 /nfs/dbraw/zinc/94/71/39/563947139.db2.gz OOPMSNQNEVYJCZ-UHFFFAOYSA-N 0 0 317.458 4.615 50 0 DJAARN Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000000458308 563257725 /nfs/dbraw/zinc/25/77/25/563257725.db2.gz FUEQRTIILOYDJB-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN CC(=O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1 ZINC000000612867 563269434 /nfs/dbraw/zinc/26/94/34/563269434.db2.gz CCBQVYMOHQBAOA-UHFFFAOYSA-N 0 0 300.408 4.818 50 0 DJAARN Cc1ccc(CCC(=O)c2cccc(Br)c2)cc1C ZINC000002517642 563307374 /nfs/dbraw/zinc/30/73/74/563307374.db2.gz WXRQGLLSAAQUGZ-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN COc1cccc(OCCCOc2ccc(Cl)cc2C)c1 ZINC000002984768 563319234 /nfs/dbraw/zinc/31/92/34/563319234.db2.gz PCDGVACKFZQYHY-UHFFFAOYSA-N 0 0 306.789 4.505 50 0 DJAARN O=C(N/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000003105690 563321982 /nfs/dbraw/zinc/32/19/82/563321982.db2.gz KMMXTNMIRZGFDN-MDZDMXLPSA-N 0 0 307.180 4.786 50 0 DJAARN O[C@@H](c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000035287596 563452614 /nfs/dbraw/zinc/45/26/14/563452614.db2.gz IJECXTZHVDMNGS-ZDUSSCGKSA-N 0 0 320.232 4.806 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2ccc(C)c(Br)c2)c1 ZINC000000038510 563211554 /nfs/dbraw/zinc/21/15/54/563211554.db2.gz ULUJBZCDVFPXAI-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN O=C(Nc1ccccc1F)C1c2ccccc2Oc2ccccc21 ZINC000000030228 563211190 /nfs/dbraw/zinc/21/11/90/563211190.db2.gz DHCSZZPHOHEWIK-UHFFFAOYSA-N 0 0 319.335 4.702 50 0 DJAARN CC[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000000035622 563211194 /nfs/dbraw/zinc/21/11/94/563211194.db2.gz PTKFHNXSNUISCR-INIZCTEOSA-N 0 0 322.433 4.942 50 0 DJAARN COc1ccc2c(c1)oc(C)c(-c1csc(C)n1)c2=S ZINC000000048470 563211833 /nfs/dbraw/zinc/21/18/33/563211833.db2.gz QVGNPUCBOLGKAA-UHFFFAOYSA-N 0 0 303.408 4.911 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1 ZINC000000061676 563212213 /nfs/dbraw/zinc/21/22/13/563212213.db2.gz PBVKVOYAZNRNAH-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN CCOc1ccc2c(C)c(-c3ccccc3Cl)c(=O)oc2c1 ZINC000000058099 563212225 /nfs/dbraw/zinc/21/22/25/563212225.db2.gz AWWHFZJPKMTWLH-UHFFFAOYSA-N 0 0 314.768 4.821 50 0 DJAARN COc1ccccc1Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000060593 563212269 /nfs/dbraw/zinc/21/22/69/563212269.db2.gz JTCIZQPNXGAQMO-UHFFFAOYSA-N 0 0 300.358 4.701 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccccc1Cl ZINC000000064166 563212432 /nfs/dbraw/zinc/21/24/32/563212432.db2.gz YIEIHTQTTCLEGS-MDZDMXLPSA-N 0 0 306.192 4.954 50 0 DJAARN Cc1ccc2c(c1)CCCN2C(=S)Nc1cccc(Cl)c1 ZINC000000067418 563212778 /nfs/dbraw/zinc/21/27/78/563212778.db2.gz HCQMWJKBKUIGQH-UHFFFAOYSA-N 0 0 316.857 4.798 50 0 DJAARN COc1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000000070432 563212859 /nfs/dbraw/zinc/21/28/59/563212859.db2.gz WEXBYVSRHPYMNS-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN CCOc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000071713 563213507 /nfs/dbraw/zinc/21/35/07/563213507.db2.gz PQELSZQXYXKGOY-UHFFFAOYSA-N 0 0 310.349 4.601 50 0 DJAARN COc1ccc(-c2csc(Nc3cccc(C(C)=O)c3)n2)cc1 ZINC000000073590 563213624 /nfs/dbraw/zinc/21/36/24/563213624.db2.gz MICVFBLDHUIOBR-UHFFFAOYSA-N 0 0 324.405 4.765 50 0 DJAARN Cc1c(OC(C)C)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000000076702 563213778 /nfs/dbraw/zinc/21/37/78/563213778.db2.gz FTIWBFXODGEJJV-UHFFFAOYSA-N 0 0 322.404 4.788 50 0 DJAARN c1ccc(-c2nc3cc4nc(-c5ccccc5)[nH]c4cc3[nH]2)cc1 ZINC000000085270 563214735 /nfs/dbraw/zinc/21/47/35/563214735.db2.gz SMOUKXVXMLMBAS-UHFFFAOYSA-N 0 0 310.360 4.773 50 0 DJAARN Cc1cc2nnc(SCc3ccccc3F)n2c2ccccc12 ZINC000000087400 563215120 /nfs/dbraw/zinc/21/51/20/563215120.db2.gz IZNIDVBNZMLBJL-UHFFFAOYSA-N 0 0 323.396 4.622 50 0 DJAARN C[C@@H]1CCc2c(sc3ncnc(SCc4ccco4)c32)C1 ZINC000000087240 563215171 /nfs/dbraw/zinc/21/51/71/563215171.db2.gz QKAXUAWQJUIOTH-SNVBAGLBSA-N 0 0 316.451 4.701 50 0 DJAARN O=c1oc2c(cc(O)cc2-c2cc(Cl)cc(Cl)c2)s1 ZINC000000086620 563215268 /nfs/dbraw/zinc/21/52/68/563215268.db2.gz PHXDDGTXLDSRDN-UHFFFAOYSA-N 0 0 313.161 4.534 50 0 DJAARN C[C@H](CC(=O)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000000106547 563218064 /nfs/dbraw/zinc/21/80/64/563218064.db2.gz YUJIKNGGLNIOMR-SSDOTTSWSA-N 0 0 315.027 4.675 50 0 DJAARN CC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000106501 563218072 /nfs/dbraw/zinc/21/80/72/563218072.db2.gz LZLNAPZJIXFDNK-UHFFFAOYSA-N 0 0 323.179 4.840 50 0 DJAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3F)cc2)cc1 ZINC000000111217 563218669 /nfs/dbraw/zinc/21/86/69/563218669.db2.gz VXQHXDLCNZMXIJ-UHFFFAOYSA-N 0 0 321.351 4.754 50 0 DJAARN O=C1Nc2ccccc2/C1=C/c1ccc(C(F)(F)F)cc1Cl ZINC000000110555 563218823 /nfs/dbraw/zinc/21/88/23/563218823.db2.gz AHVQWWAKRUCRCU-GHXNOFRVSA-N 0 0 323.701 4.852 50 0 DJAARN O=C(c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000000117834 563219808 /nfs/dbraw/zinc/21/98/08/563219808.db2.gz WLCUKYHPYCYGCH-UHFFFAOYSA-N 0 0 304.374 4.525 50 0 DJAARN O=C(Sc1ncccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000000122800 563220449 /nfs/dbraw/zinc/22/04/49/563220449.db2.gz OJEFMZLGGHPOMO-UHFFFAOYSA-N 0 0 317.719 4.686 50 0 DJAARN COc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000125156 563221146 /nfs/dbraw/zinc/22/11/46/563221146.db2.gz MYGZEMZLHJZCHE-UHFFFAOYSA-N 0 0 303.361 4.615 50 0 DJAARN Nc1ccccc1SCc1ncc(C(F)(F)F)cc1Cl ZINC000000126887 563221222 /nfs/dbraw/zinc/22/12/22/563221222.db2.gz DCHCZGRJRONYFL-UHFFFAOYSA-N 0 0 318.751 4.628 50 0 DJAARN CCc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000000132029 563221582 /nfs/dbraw/zinc/22/15/82/563221582.db2.gz CAALAUNVMNPKPX-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN S=c1nc(-c2ccccc2)n(Cc2ccco2)c2c1CCCC2 ZINC000000134723 563222362 /nfs/dbraw/zinc/22/23/62/563222362.db2.gz IDYZHGZAMIQYFL-UHFFFAOYSA-N 0 0 322.433 4.800 50 0 DJAARN Fc1cccc(Cl)c1CNCc1c(F)cccc1Cl ZINC000000139237 563222649 /nfs/dbraw/zinc/22/26/49/563222649.db2.gz STSANHXLWBFBLE-UHFFFAOYSA-N 0 0 302.151 4.561 50 0 DJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1 ZINC000000138828 563222929 /nfs/dbraw/zinc/22/29/29/563222929.db2.gz QUTYLGJKVARSLP-UHFFFAOYSA-N 0 0 314.344 4.747 50 0 DJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)c1ccc(F)cc1 ZINC000000140692 563223186 /nfs/dbraw/zinc/22/31/86/563223186.db2.gz GCACZNIHMDJDCY-UHFFFAOYSA-N 0 0 315.731 4.674 50 0 DJAARN COc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000000143169 563223236 /nfs/dbraw/zinc/22/32/36/563223236.db2.gz ISOMEMFLSCFHDA-UHFFFAOYSA-N 0 0 318.328 4.747 50 0 DJAARN Cc1cc(C)n(C(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000000140940 563223318 /nfs/dbraw/zinc/22/33/18/563223318.db2.gz LZFPYEUBFJPXNH-UHFFFAOYSA-N 0 0 321.405 4.771 50 0 DJAARN Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccccc1 ZINC000000149076 563224464 /nfs/dbraw/zinc/22/44/64/563224464.db2.gz HEHFAYXJGKFLDZ-UHFFFAOYSA-N 0 0 300.427 4.637 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1C ZINC000000149074 563224544 /nfs/dbraw/zinc/22/45/44/563224544.db2.gz JAXINYCHEZBEGK-UHFFFAOYSA-N 0 0 314.454 4.946 50 0 DJAARN Oc1ccc(Nc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000000148657 563224580 /nfs/dbraw/zinc/22/45/80/563224580.db2.gz MYLKFQIETCATAW-UHFFFAOYSA-N 0 0 319.389 4.808 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCCCCC1 ZINC000000149936 563224611 /nfs/dbraw/zinc/22/46/11/563224611.db2.gz WNNSRGBJOLOTST-UHFFFAOYSA-N 0 0 301.217 4.838 50 0 DJAARN COc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1C)c2=O ZINC000000148026 563224641 /nfs/dbraw/zinc/22/46/41/563224641.db2.gz RYAPQCLDKQTPBX-UHFFFAOYSA-N 0 0 310.349 4.519 50 0 DJAARN Cc1cc(Br)cc(C)c1OC(=O)C1CCCCC1 ZINC000000149090 563224705 /nfs/dbraw/zinc/22/47/05/563224705.db2.gz BTLQAGIPXRRPQK-UHFFFAOYSA-N 0 0 311.219 4.552 50 0 DJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1Cl ZINC000000155351 563225774 /nfs/dbraw/zinc/22/57/74/563225774.db2.gz QVFYLBYASYJMTH-UHFFFAOYSA-N 0 0 314.816 4.583 50 0 DJAARN CN(C)c1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000000158164 563225778 /nfs/dbraw/zinc/22/57/78/563225778.db2.gz VCQQSCKQJIMQBF-UHFFFAOYSA-N 0 0 311.429 4.694 50 0 DJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000000155366 563225869 /nfs/dbraw/zinc/22/58/69/563225869.db2.gz OEQVSQZBGNZZBB-UHFFFAOYSA-N 0 0 323.440 4.938 50 0 DJAARN O=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000000165432 563226317 /nfs/dbraw/zinc/22/63/17/563226317.db2.gz LVHIVPKNRURKIV-UHFFFAOYSA-N 0 0 308.177 4.797 50 0 DJAARN Cn1c2ccccc2c(C=O)c1Oc1cccc(C(F)(F)F)c1 ZINC000000168721 563226351 /nfs/dbraw/zinc/22/63/51/563226351.db2.gz FZLAHHBDMCATQU-UHFFFAOYSA-N 0 0 319.282 4.802 50 0 DJAARN O=Cc1ccccc1Oc1ccc(OCc2ccccc2)cc1 ZINC000000167988 563226466 /nfs/dbraw/zinc/22/64/66/563226466.db2.gz XZOLMMBUVFEHQX-UHFFFAOYSA-N 0 0 304.345 4.870 50 0 DJAARN CCNC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C ZINC000000169816 563226947 /nfs/dbraw/zinc/22/69/47/563226947.db2.gz GARCBDAMSUFBSP-NRFANRHFSA-N 0 0 322.452 4.711 50 0 DJAARN Brc1ccc(-c2csc(-c3cccnc3)n2)cc1 ZINC000000171885 563227264 /nfs/dbraw/zinc/22/72/64/563227264.db2.gz LGXAFGTVYJRCNW-UHFFFAOYSA-N 0 0 317.211 4.635 50 0 DJAARN O=C(CCSc1c(Cl)cccc1Cl)c1ccco1 ZINC000000172641 563227616 /nfs/dbraw/zinc/22/76/16/563227616.db2.gz MAZOJFRGGFMCKV-UHFFFAOYSA-N 0 0 301.194 4.952 50 0 DJAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(Cl)c1 ZINC000000173108 563228116 /nfs/dbraw/zinc/22/81/16/563228116.db2.gz ZPJZWMPNOHPGOC-UHFFFAOYSA-N 0 0 322.795 4.578 50 0 DJAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(C)cc21 ZINC000000182809 563228583 /nfs/dbraw/zinc/22/85/83/563228583.db2.gz MZTJLGDNANUAKU-UHFFFAOYSA-N 0 0 311.768 4.650 50 0 DJAARN O=C(Nc1nccs1)OCC1c2ccccc2-c2ccccc21 ZINC000000186780 563229083 /nfs/dbraw/zinc/22/90/83/563229083.db2.gz JWHZDZGNELTVOI-UHFFFAOYSA-N 0 0 322.389 4.504 50 0 DJAARN CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000000184158 563229107 /nfs/dbraw/zinc/22/91/07/563229107.db2.gz BWAFLODPHBKWPC-HNNXBMFYSA-N 0 0 307.315 4.838 50 0 DJAARN Cc1ccnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 ZINC000000216331 563230960 /nfs/dbraw/zinc/23/09/60/563230960.db2.gz NXYBHRWZCPTSKO-GOSISDBHSA-N 0 0 320.417 4.501 50 0 DJAARN Cc1sc(NC(=O)c2ccco2)nc1-c1ccc(C)c(C)c1 ZINC000000260414 563234264 /nfs/dbraw/zinc/23/42/64/563234264.db2.gz PVBIJZUWAJEEAB-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN O=C(Oc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 ZINC000000267855 563234662 /nfs/dbraw/zinc/23/46/62/563234662.db2.gz OVHXXHAKVSZJMV-UHFFFAOYSA-N 0 0 320.319 4.669 50 0 DJAARN CC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000000269274 563234764 /nfs/dbraw/zinc/23/47/64/563234764.db2.gz SDEIAFPKNAMUPB-KRWDZBQOSA-N 0 0 300.789 4.539 50 0 DJAARN CC(C)(C)SC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000264169 563234858 /nfs/dbraw/zinc/23/48/58/563234858.db2.gz VWXNQAISSPYIOV-CQSZACIVSA-N 0 0 313.466 4.687 50 0 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317.175 4.794 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1cccc(Br)c1 ZINC000000288619 563236632 /nfs/dbraw/zinc/23/66/32/563236632.db2.gz GFDHZIFZKWLJHY-UHFFFAOYSA-N 0 0 318.214 4.572 50 0 DJAARN COc1ccc(NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000000302423 563237963 /nfs/dbraw/zinc/23/79/63/563237963.db2.gz KIQRHVFKNWUKPU-UHFFFAOYSA-N 0 0 317.344 4.847 50 0 DJAARN Cc1ccc2nc(NC(=O)C[C@H](C)c3ccccc3)sc2c1 ZINC000000303924 563238270 /nfs/dbraw/zinc/23/82/70/563238270.db2.gz IBGODCIVRJHZMK-ZDUSSCGKSA-N 0 0 310.422 4.737 50 0 DJAARN COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1 ZINC000000308047 563239030 /nfs/dbraw/zinc/23/90/30/563239030.db2.gz KSQIORNEORRAFQ-UHFFFAOYSA-N 0 0 318.731 4.570 50 0 DJAARN Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000000311605 563239555 /nfs/dbraw/zinc/23/95/55/563239555.db2.gz CEYAVHXDQVEOSF-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN O=C(/C=C/c1ccco1)Nc1ccc(Nc2ccccc2)cc1 ZINC000000310534 563239776 /nfs/dbraw/zinc/23/97/76/563239776.db2.gz KQCVLFWBEGTNKE-OUKQBFOZSA-N 0 0 304.349 4.675 50 0 DJAARN CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000000315614 563240335 /nfs/dbraw/zinc/24/03/35/563240335.db2.gz BKGYNVKKYMOKSJ-CYBMUJFWSA-N 0 0 317.816 4.617 50 0 DJAARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000000323556 563240807 /nfs/dbraw/zinc/24/08/07/563240807.db2.gz MWJOYNMEPZAMGM-UHFFFAOYSA-N 0 0 310.374 4.546 50 0 DJAARN CCOc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000000317885 563240987 /nfs/dbraw/zinc/24/09/87/563240987.db2.gz ZCQAMVGBZINHDI-UHFFFAOYSA-N 0 0 323.364 4.652 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000000331283 563241473 /nfs/dbraw/zinc/24/14/73/563241473.db2.gz RKSLDMWBVPPUMS-CYBMUJFWSA-N 0 0 319.857 4.909 50 0 DJAARN Cc1cccc(NC(=O)c2sc3ccccc3c2Cl)n1 ZINC000000339152 563241883 /nfs/dbraw/zinc/24/18/83/563241883.db2.gz ZTAQXMDRLPJAMQ-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CC[C@@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000000337775 563242115 /nfs/dbraw/zinc/24/21/15/563242115.db2.gz PPFLKHWWHRXPIH-OAHLLOKOSA-N 0 0 318.214 4.581 50 0 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O=C(Oc1ccc2c(Br)cccc2c1)C1CCCC1 ZINC000000364975 563245944 /nfs/dbraw/zinc/24/59/44/563245944.db2.gz ZMKNDYPLQCMGGP-UHFFFAOYSA-N 0 0 319.198 4.698 50 0 DJAARN Cc1cc(OCC(=O)Nc2ccccc2Cl)cc(C)c1Cl ZINC000000370793 563246506 /nfs/dbraw/zinc/24/65/06/563246506.db2.gz LSLBYDLQTFZZTN-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1ccc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000000375789 563246940 /nfs/dbraw/zinc/24/69/40/563246940.db2.gz MDVNXEVCRSIUCV-SHQCLWGWSA-N 0 0 313.828 4.847 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000000374348 563247197 /nfs/dbraw/zinc/24/71/97/563247197.db2.gz LAQAXZPYNGLNSC-UHFFFAOYSA-N 0 0 311.715 4.502 50 0 DJAARN Cc1sc2ncnc(Sc3c[nH]c4ccccc34)c2c1C ZINC000000383016 563248431 /nfs/dbraw/zinc/24/84/31/563248431.db2.gz ZOTUNJHUGJWGCG-UHFFFAOYSA-N 0 0 311.435 4.941 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000000385229 563248897 /nfs/dbraw/zinc/24/88/97/563248897.db2.gz BTHDROPNSFPDIJ-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN Brc1ccc(-c2cn3c(ccc4ccccc43)n2)cc1 ZINC000000387435 563249485 /nfs/dbraw/zinc/24/94/85/563249485.db2.gz UISXEAVALVXSQF-UHFFFAOYSA-N 0 0 323.193 4.917 50 0 DJAARN O=C(Nc1cccc2ccccc21)c1cc2ccccc2cc1O ZINC000000391026 563250056 /nfs/dbraw/zinc/25/00/56/563250056.db2.gz QGZGJNPVHADCFM-UHFFFAOYSA-N 0 0 313.356 4.951 50 0 DJAARN O=C(NCc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000000395867 563250090 /nfs/dbraw/zinc/25/00/90/563250090.db2.gz ZAAPJIZGEZAMQF-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN COc1ccccc1NC(=O)Nc1c(Cl)cccc1Cl ZINC000000398111 563250648 /nfs/dbraw/zinc/25/06/48/563250648.db2.gz MBYFEXZXTYPEPQ-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc(F)cc1 ZINC000000398413 563250652 /nfs/dbraw/zinc/25/06/52/563250652.db2.gz IYGNQMVPQPDDCW-UHFFFAOYSA-N 0 0 314.143 4.881 50 0 DJAARN Clc1c(Cl)c(Cl)c2c(c1Cl)O[C@@H]1CC=C[C@@H]1O2 ZINC000000401210 563251175 /nfs/dbraw/zinc/25/11/75/563251175.db2.gz LGHMNWNGZJHMBK-CRCLSJGQSA-N 0 0 311.979 4.769 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)n1ncc2cc(Cl)ccc21 ZINC000000399216 563251271 /nfs/dbraw/zinc/25/12/71/563251271.db2.gz MDZREDTXFAFASO-UHFFFAOYSA-N 0 0 320.179 4.732 50 0 DJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(F)c1 ZINC000000439770 563253762 /nfs/dbraw/zinc/25/37/62/563253762.db2.gz GBDDXYXRFXULOF-FNORWQNLSA-N 0 0 310.155 4.784 50 0 DJAARN CCc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000000440704 563253773 /nfs/dbraw/zinc/25/37/73/563253773.db2.gz HEPOKBMYRKYKNY-UHFFFAOYSA-N 0 0 324.405 4.845 50 0 DJAARN COc1ccc(C)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000000441519 563254648 /nfs/dbraw/zinc/25/46/48/563254648.db2.gz SMUQYZHZLNFKLO-XYOKQWHBSA-N 0 0 309.409 4.779 50 0 DJAARN Cc1oc(C(=O)Nc2ccccc2)cc1COc1ccc(C)cc1 ZINC000000446359 563255562 /nfs/dbraw/zinc/25/55/62/563255562.db2.gz HDTYMPQNMZFWLS-UHFFFAOYSA-N 0 0 321.376 4.728 50 0 DJAARN O=C(Nc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 ZINC000000445491 563255623 /nfs/dbraw/zinc/25/56/23/563255623.db2.gz FHLPBTQUECYLQJ-UHFFFAOYSA-N 0 0 319.335 4.702 50 0 DJAARN Cc1ccc(NC(=O)CSc2cccc3cccnc32)c(C)c1 ZINC000000446367 563255668 /nfs/dbraw/zinc/25/56/68/563255668.db2.gz JFENHTMTWGANMP-UHFFFAOYSA-N 0 0 322.433 4.582 50 0 DJAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(C)C ZINC000000452569 563256789 /nfs/dbraw/zinc/25/67/89/563256789.db2.gz RJUMUTDZTMQIBI-UHFFFAOYSA-N 0 0 310.422 4.866 50 0 DJAARN COc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1Cl ZINC000000452337 563256834 /nfs/dbraw/zinc/25/68/34/563256834.db2.gz MAPJFGCFANYKLQ-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000000452950 563256870 /nfs/dbraw/zinc/25/68/70/563256870.db2.gz CZEXSILMMHDUBQ-UHFFFAOYSA-N 0 0 311.425 4.582 50 0 DJAARN CC(C)C(NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(C)C ZINC000000454522 563257076 /nfs/dbraw/zinc/25/70/76/563257076.db2.gz YPFNXPPRNJXRDB-SOFGYWHQSA-N 0 0 314.256 4.803 50 0 DJAARN Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000454323 563257150 /nfs/dbraw/zinc/25/71/50/563257150.db2.gz HKRCJOVFFQRHBR-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN CCCc1cc(=O)oc2c(C)c(OCc3ccc(C)cc3)ccc12 ZINC000000453766 563257257 /nfs/dbraw/zinc/25/72/57/563257257.db2.gz SWCDFHMQZQRATB-UHFFFAOYSA-N 0 0 322.404 4.941 50 0 DJAARN O=C(CCC1CCCCC1)Nc1ccc(Br)cc1 ZINC000000457752 563258032 /nfs/dbraw/zinc/25/80/32/563258032.db2.gz CKVXHNOTCDACIW-UHFFFAOYSA-N 0 0 310.235 4.748 50 0 DJAARN Cc1c(C)c(C)c(COc2ccc3ccc(=O)oc3c2)c(C)c1C ZINC000000458978 563258436 /nfs/dbraw/zinc/25/84/36/563258436.db2.gz RNKXPZFLSMRVGV-UHFFFAOYSA-N 0 0 322.404 4.914 50 0 biogenic DJAARN CCc1sc(NC(=O)C2CCCCC2)nc1-c1ccccc1 ZINC000000463227 563259191 /nfs/dbraw/zinc/25/91/91/563259191.db2.gz DUHLBDFDVXWIRB-UHFFFAOYSA-N 0 0 314.454 4.891 50 0 DJAARN Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1 ZINC000000469315 563259938 /nfs/dbraw/zinc/25/99/38/563259938.db2.gz ZMKIOGXWSZVEDE-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN C[C@@H]1Cc2ccccc2N1C(=O)Nc1cccc2ccccc21 ZINC000000471917 563260636 /nfs/dbraw/zinc/26/06/36/563260636.db2.gz YSXNTEGLHYVLIH-CQSZACIVSA-N 0 0 302.377 4.823 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000472172 563261099 /nfs/dbraw/zinc/26/10/99/563261099.db2.gz INPLXJRXCZTCKU-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000000472173 563261323 /nfs/dbraw/zinc/26/13/23/563261323.db2.gz INPLXJRXCZTCKU-NSHDSACASA-N 0 0 324.207 4.708 50 0 DJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(F)c1 ZINC000000475088 563261889 /nfs/dbraw/zinc/26/18/89/563261889.db2.gz LBWOCUXCNSATRM-FNORWQNLSA-N 0 0 310.155 4.784 50 0 DJAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000483619 563262882 /nfs/dbraw/zinc/26/28/82/563262882.db2.gz MBFCWOAWCYYSLD-UHFFFAOYSA-N 0 0 314.599 4.828 50 0 DJAARN O=C(OCc1ccc(Cl)cc1)c1cc2ccccc2cc1O ZINC000000482443 563262894 /nfs/dbraw/zinc/26/28/94/563262894.db2.gz YJBNJZWOJSOBQR-UHFFFAOYSA-N 0 0 312.752 4.556 50 0 DJAARN O=C(COc1cccc(Cl)c1)Nc1ccc2ccccc2c1 ZINC000000483245 563263059 /nfs/dbraw/zinc/26/30/59/563263059.db2.gz OYJOKYIRBASWNG-UHFFFAOYSA-N 0 0 311.768 4.511 50 0 DJAARN Cc1cccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)c1 ZINC000000496908 563263503 /nfs/dbraw/zinc/26/35/03/563263503.db2.gz DATQDPZQMSXZOM-UHFFFAOYSA-N 0 0 322.408 4.922 50 0 DJAARN O=C(c1cc2sc3ccccc3c2s1)N1CCCCC1 ZINC000000522009 563264079 /nfs/dbraw/zinc/26/40/79/563264079.db2.gz ZKXBNBABESXDAO-UHFFFAOYSA-N 0 0 301.436 4.742 50 0 DJAARN c1ccc2c(c1)cccc2CSc1nnc(-c2ccncc2)o1 ZINC000000527821 563264727 /nfs/dbraw/zinc/26/47/27/563264727.db2.gz QUIZQPCMYKLGMY-UHFFFAOYSA-N 0 0 319.389 4.577 50 0 DJAARN CC(C)CCn1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000000527460 563264811 /nfs/dbraw/zinc/26/48/11/563264811.db2.gz FEYJXUSFTCLKOH-UHFFFAOYSA-N 0 0 316.408 4.693 50 0 DJAARN CCc1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000000543714 563265296 /nfs/dbraw/zinc/26/52/96/563265296.db2.gz RGALNMJLYSEIMD-UHFFFAOYSA-N 0 0 312.196 4.720 50 0 DJAARN CC(=O)n1c2ccccc2c2nc(Nc3ccccc3)sc21 ZINC000000563596 563266549 /nfs/dbraw/zinc/26/65/49/563266549.db2.gz IVNYGZQVGBMLQH-UHFFFAOYSA-N 0 0 307.378 4.655 50 0 DJAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000000563409 563266596 /nfs/dbraw/zinc/26/65/96/563266596.db2.gz ISUFPPPOKKEZDO-UHFFFAOYSA-N 0 0 317.388 4.750 50 0 DJAARN COc1ccc2cc([C@@H](C)c3nc4ccccc4[nH]3)ccc2c1 ZINC000000561710 563266621 /nfs/dbraw/zinc/26/66/21/563266621.db2.gz UDIAOOPLLRAFMQ-CYBMUJFWSA-N 0 0 302.377 4.877 50 0 DJAARN O=C(OCc1ccc(Cl)cc1)c1ccc2ccccc2c1O ZINC000000566940 563267107 /nfs/dbraw/zinc/26/71/07/563267107.db2.gz DKPBANPOIZCUHJ-UHFFFAOYSA-N 0 0 312.752 4.556 50 0 DJAARN CCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000566904 563267327 /nfs/dbraw/zinc/26/73/27/563267327.db2.gz XSVIPDUNLOHZOB-UHFFFAOYSA-N 0 0 319.198 4.621 50 0 DJAARN O=C(CSCc1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000000567344 563267351 /nfs/dbraw/zinc/26/73/51/563267351.db2.gz WIJWFXBVUHYMPU-UHFFFAOYSA-N 0 0 323.889 4.580 50 0 DJAARN C=Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000000608469 563268063 /nfs/dbraw/zinc/26/80/63/563268063.db2.gz IWYZSWYZPNXTPU-UHFFFAOYSA-N 0 0 306.361 4.632 50 0 DJAARN CC[C@@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000000582835 563268157 /nfs/dbraw/zinc/26/81/57/563268157.db2.gz ZXXZKXXCNSALDZ-OAHLLOKOSA-N 0 0 313.466 4.816 50 0 DJAARN COc1ccc(NC(=S)Nc2cccc3ccccc32)c(C)c1 ZINC000000610387 563268750 /nfs/dbraw/zinc/26/87/50/563268750.db2.gz PTRKPHRULDJZLS-UHFFFAOYSA-N 0 0 322.433 4.966 50 0 DJAARN Cc1nc(C)c(-c2csc(Nc3ccc(O)cc3C)n2)s1 ZINC000000613650 563269375 /nfs/dbraw/zinc/26/93/75/563269375.db2.gz GAFFBJRAVSNRGF-UHFFFAOYSA-N 0 0 317.439 4.641 50 0 DJAARN CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1 ZINC000000615779 563270179 /nfs/dbraw/zinc/27/01/79/563270179.db2.gz PGVJFYHADFADOY-UHFFFAOYSA-N 0 0 307.846 4.959 50 0 DJAARN O=C(Nc1ccc(F)cc1F)c1ccccc1-c1ccccc1 ZINC000000618361 563270372 /nfs/dbraw/zinc/27/03/72/563270372.db2.gz LXYWLVJTJIXDKU-UHFFFAOYSA-N 0 0 309.315 4.884 50 0 DJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000000618046 563270485 /nfs/dbraw/zinc/27/04/85/563270485.db2.gz JOSZEYUORSJBPZ-HNAYVOBHSA-N 0 0 311.425 4.996 50 0 DJAARN Fc1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000000618543 563270644 /nfs/dbraw/zinc/27/06/44/563270644.db2.gz QTYSJTXQHVVLRY-UHFFFAOYSA-N 0 0 315.200 4.941 50 0 DJAARN Cc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000000860137 563272587 /nfs/dbraw/zinc/27/25/87/563272587.db2.gz HFYNEZUIFCSLGQ-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000859310 563272646 /nfs/dbraw/zinc/27/26/46/563272646.db2.gz NMFHYOLWUXZHEH-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CC(=O)N1c2ccc(C)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000000973248 563272808 /nfs/dbraw/zinc/27/28/08/563272808.db2.gz UHWQFJIDBCYRIB-OAQYLSRUSA-N 0 0 307.437 4.836 50 0 DJAARN CC1(C)CCC(=O)c2c3ccccc3n(Cc3ccccc3)c21 ZINC000001016263 563274470 /nfs/dbraw/zinc/27/44/70/563274470.db2.gz VDIHGEIMRYDPTO-UHFFFAOYSA-N 0 0 303.405 4.944 50 0 DJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccs1 ZINC000001044424 563275381 /nfs/dbraw/zinc/27/53/81/563275381.db2.gz LLRKLTNKFHSDKD-JARZOMNASA-N 0 0 324.449 4.616 50 0 biogenic DJAARN CC(C)=CCOc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 ZINC000001078523 563277253 /nfs/dbraw/zinc/27/72/53/563277253.db2.gz XVIIUIAFPSYZBF-UHFFFAOYSA-N 0 0 324.351 4.944 50 0 biogenic DJAARN O=C(/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000001083970 563277284 /nfs/dbraw/zinc/27/72/84/563277284.db2.gz MBUHOSQRUKWLHL-WUKNDPDISA-N 0 0 313.400 4.606 50 0 DJAARN O=C1S/C(=C\c2cccs2)C(=O)N1c1ccccc1Cl ZINC000001112611 563277778 /nfs/dbraw/zinc/27/77/78/563277778.db2.gz OYTQUWSFWXJDCQ-WQLSENKSSA-N 0 0 321.810 4.642 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1C ZINC000001146036 563277901 /nfs/dbraw/zinc/27/79/01/563277901.db2.gz JORLNKQDPLUORC-UHFFFAOYSA-N 0 0 301.389 4.808 50 0 DJAARN Cc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000001164261 563278660 /nfs/dbraw/zinc/27/86/60/563278660.db2.gz AHKUQYPCHMGKSR-UHFFFAOYSA-N 0 0 308.377 4.606 50 0 DJAARN Cc1ccc(NCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001226287 563280033 /nfs/dbraw/zinc/28/00/33/563280033.db2.gz MTLIOHFLYNUVJI-UHFFFAOYSA-N 0 0 301.389 4.957 50 0 DJAARN O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000001391638 563282173 /nfs/dbraw/zinc/28/21/73/563282173.db2.gz IFFMTIZWXOFECS-UHFFFAOYSA-N 0 0 320.097 4.638 50 0 DJAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1-c1ccccc1 ZINC000001400618 563282886 /nfs/dbraw/zinc/28/28/86/563282886.db2.gz PEVQWLDYBJKLHI-UHFFFAOYSA-N 0 0 311.768 4.732 50 0 DJAARN Oc1ccc(CSc2nc3ccccc3s2)c2cccnc12 ZINC000001421027 563283363 /nfs/dbraw/zinc/28/33/63/563283363.db2.gz FVANFLJHBJMTAO-UHFFFAOYSA-N 0 0 324.430 4.842 50 0 DJAARN c1ccc(N2Cc3cc4c(cc3C2)CN(c2ccccc2)C4)cc1 ZINC000001446456 563283446 /nfs/dbraw/zinc/28/34/46/563283446.db2.gz UUDDWLYJRUSCPU-UHFFFAOYSA-N 0 0 312.416 4.727 50 0 DJAARN Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001434577 563283651 /nfs/dbraw/zinc/28/36/51/563283651.db2.gz JFVIYUBXQOGCDS-UHFFFAOYSA-N 0 0 301.389 4.766 50 0 DJAARN c1ccc2[nH]c(-c3cccc(-c4nc5ccccc5[nH]4)c3)nc2c1 ZINC000001720090 563293047 /nfs/dbraw/zinc/29/30/47/563293047.db2.gz DNYDWFIQGPJANT-UHFFFAOYSA-N 0 0 310.360 4.773 50 0 DJAARN Cc1ccccc1OCCCC(=O)Nc1ccccc1C(C)C ZINC000001772476 563295194 /nfs/dbraw/zinc/29/51/94/563295194.db2.gz CHVYZRBXPMRCPX-UHFFFAOYSA-N 0 0 311.425 4.916 50 0 DJAARN CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(OCCC)cc1 ZINC000001778362 563295613 /nfs/dbraw/zinc/29/56/13/563295613.db2.gz VXZUUVBFNUGXAH-GWKQRERASA-N 0 0 317.473 4.821 50 0 DJAARN CCCC[C@@H](CC)C(=O)Nc1ccc(C)cc1Br ZINC000002104896 563300208 /nfs/dbraw/zinc/30/02/08/563300208.db2.gz IHFBTFZJAMBJHI-GFCCVEGCSA-N 0 0 312.251 4.912 50 0 DJAARN CCCOC(=O)[C@]12CC(C)=C(C)C[C@@H]1CCCc1ccccc12 ZINC000002154245 563300935 /nfs/dbraw/zinc/30/09/35/563300935.db2.gz CLBCEBCGAWBHAK-GHTZIAJQSA-N 0 0 312.453 4.960 50 0 DJAARN O[C@@H](COC1CCCCC1)Cn1c2ccccc2c2ccccc21 ZINC000002201623 563301749 /nfs/dbraw/zinc/30/17/49/563301749.db2.gz VGJQYNSCFDNIPB-MRXNPFEDSA-N 0 0 323.436 4.505 50 0 DJAARN O=P(Oc1ccccc1)(Oc1ccccc1)N1CCCCC1 ZINC000002306196 563302051 /nfs/dbraw/zinc/30/20/51/563302051.db2.gz FEFQSANAAZUCLC-UHFFFAOYSA-N 0 0 317.325 4.738 50 0 DJAARN CC(C)CNc1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn21 ZINC000002241729 563302417 /nfs/dbraw/zinc/30/24/17/563302417.db2.gz XERPTAJKCAETQM-UHFFFAOYSA-N 0 0 322.456 4.762 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)CCCC(C)C ZINC000002458958 563303800 /nfs/dbraw/zinc/30/38/00/563303800.db2.gz BBFVYIHLOUCXHC-AWEZNQCLSA-N 0 0 314.429 4.595 50 0 DJAARN Cc1nn2c(nc(C)cc2NC2CCCCC2)c1-c1ccccc1 ZINC000002427025 563303867 /nfs/dbraw/zinc/30/38/67/563303867.db2.gz SNTGLHPDEISYOW-UHFFFAOYSA-N 0 0 320.440 4.758 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCCOc1cc(C)cc(C)c1 ZINC000002497209 563304425 /nfs/dbraw/zinc/30/44/25/563304425.db2.gz FEKLTNGQPPGEJT-UHFFFAOYSA-N 0 0 300.446 4.825 50 0 DJAARN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000002493718 563304630 /nfs/dbraw/zinc/30/46/30/563304630.db2.gz BNYCBYXYKJQYFU-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1ccc(C(=O)CCc2ccc(Br)cc2)c(C)c1 ZINC000002516766 563306652 /nfs/dbraw/zinc/30/66/52/563306652.db2.gz JDXVYABRLIAEQV-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN CCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 ZINC000002518095 563307231 /nfs/dbraw/zinc/30/72/31/563307231.db2.gz QIFFYAGZISWGEC-UHFFFAOYSA-N 0 0 318.457 4.781 50 0 DJAARN O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000002517863 563307238 /nfs/dbraw/zinc/30/72/38/563307238.db2.gz GLWYRGJHWGAYNZ-UHFFFAOYSA-N 0 0 316.681 4.712 50 0 DJAARN CCn1c(=S)[nH]nc1-c1csc(C)c1-c1ccc(C)cc1 ZINC000002536767 563308590 /nfs/dbraw/zinc/30/85/90/563308590.db2.gz FMKZLCVGOXTCNM-UHFFFAOYSA-N 0 0 315.467 4.973 50 0 DJAARN FC(F)(F)Oc1cccc2c(Cl)cc(C(F)(F)F)nc12 ZINC000002557803 563309122 /nfs/dbraw/zinc/30/91/22/563309122.db2.gz INCNYMOBGMRZKG-UHFFFAOYSA-N 0 0 315.600 4.806 50 0 DJAARN CCCC[C@@H](CC)CNC(=O)/C=C/c1c(F)cccc1Cl ZINC000002739833 563312022 /nfs/dbraw/zinc/31/20/22/563312022.db2.gz YWYILLIUDQFGTR-OCHBPSSRSA-N 0 0 311.828 4.825 50 0 DJAARN Cc1ccc(CNc2ccc(Cc3ccc(C)cc3)cn2)cc1 ZINC000034691199 563312027 /nfs/dbraw/zinc/31/20/27/563312027.db2.gz OTPFACPGFBCEMV-UHFFFAOYSA-N 0 0 302.421 4.901 50 0 DJAARN CCOc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 ZINC000002838148 563314450 /nfs/dbraw/zinc/31/44/50/563314450.db2.gz LCPDSUCKKIVGQP-UHFFFAOYSA-N 0 0 315.438 4.515 50 0 DJAARN CCSc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000002851851 563314896 /nfs/dbraw/zinc/31/48/96/563314896.db2.gz WOWRRCWNSTUQHY-OAHLLOKOSA-N 0 0 313.466 4.550 50 0 DJAARN CC(=O)Nc1cccc(-c2csc(Nc3ccc(C)cc3)n2)c1 ZINC000002862022 563315446 /nfs/dbraw/zinc/31/54/46/563315446.db2.gz ZQWAONYXKYFWKR-UHFFFAOYSA-N 0 0 323.421 4.821 50 0 DJAARN CCCCCn1cc(C(=O)NCc2ccccc2)c2ccccc21 ZINC000002875319 563316052 /nfs/dbraw/zinc/31/60/52/563316052.db2.gz OLACYTSBFXCDOH-UHFFFAOYSA-N 0 0 320.436 4.762 50 0 in-vitro DJAARN CCC(CC)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000002873923 563316116 /nfs/dbraw/zinc/31/61/16/563316116.db2.gz VEHOYSIFROHCKE-UHFFFAOYSA-N 0 0 321.424 4.913 50 0 DJAARN CCN(CC)c1ccc(Nc2ncnc3sc(C)cc32)cc1 ZINC000002879381 563316373 /nfs/dbraw/zinc/31/63/73/563316373.db2.gz OIUAFPYWXRFNLF-UHFFFAOYSA-N 0 0 312.442 4.590 50 0 DJAARN CSc1ccccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000002886559 563316829 /nfs/dbraw/zinc/31/68/29/563316829.db2.gz UCPJRKKCFSBSEW-UHFFFAOYSA-N 0 0 312.221 4.968 50 0 DJAARN COc1cccc(OCCCCOc2cccc(C)c2C)c1 ZINC000002904730 563317485 /nfs/dbraw/zinc/31/74/85/563317485.db2.gz UOQFKHILVMCGFM-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN CCOc1cc2oc(C)c(-c3ccccc3)c(=O)c2cc1CC ZINC000002918249 563317489 /nfs/dbraw/zinc/31/74/89/563317489.db2.gz YSYLRRQLYBWIRC-UHFFFAOYSA-N 0 0 308.377 4.730 50 0 DJAARN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1Cl ZINC000002983108 563318711 /nfs/dbraw/zinc/31/87/11/563318711.db2.gz FAJCCFDUXCMJIN-UHFFFAOYSA-N 0 0 303.789 4.553 50 0 DJAARN CCOc1ccccc1OCCCCOc1ccccc1C ZINC000002983724 563318872 /nfs/dbraw/zinc/31/88/72/563318872.db2.gz HNGXXYBFEPAUSS-UHFFFAOYSA-N 0 0 300.398 4.632 50 0 DJAARN COc1cc(C)ccc1OCCCCOc1c(C)cccc1C ZINC000002983848 563318946 /nfs/dbraw/zinc/31/89/46/563318946.db2.gz FHSZWHGJFMQJSS-UHFFFAOYSA-N 0 0 314.425 4.858 50 0 DJAARN CCOc1ccc(OCCCCOc2ccc(C)c(C)c2)cc1 ZINC000002985495 563319355 /nfs/dbraw/zinc/31/93/55/563319355.db2.gz BRWVEYXBTSYDIA-UHFFFAOYSA-N 0 0 314.425 4.940 50 0 DJAARN CCc1cc(OCCCOc2cccc(OC)c2)ccc1Cl ZINC000002986936 563319912 /nfs/dbraw/zinc/31/99/12/563319912.db2.gz ZPOCJORIOXRMFG-UHFFFAOYSA-N 0 0 320.816 4.759 50 0 DJAARN COc1cc(C)ccc1OCCCCOc1cc(C)ccc1C ZINC000002987065 563319939 /nfs/dbraw/zinc/31/99/39/563319939.db2.gz KKSIMUCWXUIJSO-UHFFFAOYSA-N 0 0 314.425 4.858 50 0 DJAARN CCOc1ccc(OCCCOc2ccccc2Cl)cc1 ZINC000002991423 563319952 /nfs/dbraw/zinc/31/99/52/563319952.db2.gz ZCERDSKYKGKHNI-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN Cc1ccc(OCCOc2cccc3ccc(C)nc32)c(C)c1 ZINC000003003301 563320537 /nfs/dbraw/zinc/32/05/37/563320537.db2.gz GKBZOOAUIUOMTQ-UHFFFAOYSA-N 0 0 307.393 4.618 50 0 DJAARN c1ccc(COc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000003038989 563321360 /nfs/dbraw/zinc/32/13/60/563321360.db2.gz ISENDYNGVUEAAJ-UHFFFAOYSA-N 0 0 300.361 4.809 50 0 DJAARN C[C@H]1C[C@H](C)CC2(C1)Nc1ccccc1C(=O)N2c1ccccc1 ZINC000005798618 563330975 /nfs/dbraw/zinc/33/09/75/563330975.db2.gz MCFXJQPYYSUTSK-HOTGVXAUSA-N 0 0 320.436 4.911 50 0 DJAARN FC(F)(F)c1ccnc(S[C@@H]2CCCc3ccccc32)n1 ZINC000071907181 563332497 /nfs/dbraw/zinc/33/24/97/563332497.db2.gz CIRYKFNYULTBSD-GFCCVEGCSA-N 0 0 310.344 4.665 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000006866281 563334811 /nfs/dbraw/zinc/33/48/11/563334811.db2.gz RUNDGBMYSJNTNS-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN Cc1cc(Cl)cc2sc(NC(=O)c3cccc(F)c3)nc21 ZINC000002713888 563339570 /nfs/dbraw/zinc/33/95/70/563339570.db2.gz KMSGACOSVMEMAR-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN Cn1nc(C2CC2)c2c1nc(-c1cccs1)cc2C(F)F ZINC000002741119 563339874 /nfs/dbraw/zinc/33/98/74/563339874.db2.gz PZBALKHHYQXATJ-UHFFFAOYSA-N 0 0 305.353 4.512 50 0 DJAARN CCCCNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000002742403 563340270 /nfs/dbraw/zinc/34/02/70/563340270.db2.gz UVMNLUDXSXJWCA-UHFFFAOYSA-N 0 0 324.449 4.802 50 0 DJAARN O=C(Nc1ccccn1)c1sc2cccc(Cl)c2c1Cl ZINC000002766910 563342064 /nfs/dbraw/zinc/34/20/64/563342064.db2.gz IPOYCFLLPZTTEI-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002785565 563342123 /nfs/dbraw/zinc/34/21/23/563342123.db2.gz MRMVJAIBJAZGLY-NEPJUHHUSA-N 0 0 315.726 4.505 50 0 DJAARN COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1Cl ZINC000008036171 563344082 /nfs/dbraw/zinc/34/40/82/563344082.db2.gz FVUKOUDBFBDVSJ-VMPITWQZSA-N 0 0 311.768 4.773 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000008377480 563346366 /nfs/dbraw/zinc/34/63/66/563346366.db2.gz GQQKRAVZDMELGH-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN CCOc1ccc2ccccc2c1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000008382831 563346555 /nfs/dbraw/zinc/34/65/55/563346555.db2.gz LXEFCOKLBWEYPD-RHSMWYFYSA-N 0 0 311.425 4.547 50 0 DJAARN CCOc1ccc2ccccc2c1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000008382829 563346651 /nfs/dbraw/zinc/34/66/51/563346651.db2.gz LXEFCOKLBWEYPD-WMLDXEAASA-N 0 0 311.425 4.547 50 0 DJAARN COc1ccc(-c2cc(-c3ccc4ccccc4c3O)[nH]n2)cc1 ZINC000009045123 563351541 /nfs/dbraw/zinc/35/15/41/563351541.db2.gz WINUQYMBXMOIRF-UHFFFAOYSA-N 0 0 316.360 4.611 50 0 DJAARN Cc1c([C@@H](C)[NH2+]C2CCC2)cnn1-c1cccc2ccccc21 ZINC000011839994 563359935 /nfs/dbraw/zinc/35/99/35/563359935.db2.gz CRUPBKALIYIQGW-CQSZACIVSA-N 0 0 305.425 4.537 50 0 DJAARN Cc1occc1C(=O)Nc1ccc2c(c1)ncn2C1CCCCC1 ZINC000012372525 563366793 /nfs/dbraw/zinc/36/67/93/563366793.db2.gz UHVUOZRJLVTVBT-UHFFFAOYSA-N 0 0 323.396 4.695 50 0 DJAARN c1sc(-c2ccccc2)nc1CSc1nc2ccccc2[nH]1 ZINC000012523663 563370555 /nfs/dbraw/zinc/37/05/55/563370555.db2.gz OXKHQKAYWIXXSM-UHFFFAOYSA-N 0 0 323.446 4.979 50 0 DJAARN Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012971749 563376067 /nfs/dbraw/zinc/37/60/67/563376067.db2.gz UKMSIBGBPIRSHM-UHFFFAOYSA-N 0 0 320.367 4.757 50 0 DJAARN CC(C)CN(C(=O)Cc1coc2ccc3ccccc3c12)C1CC1 ZINC000012975789 563376175 /nfs/dbraw/zinc/37/61/75/563376175.db2.gz CQBKZRPLCFHWAK-UHFFFAOYSA-N 0 0 321.420 4.776 50 0 DJAARN Cc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)o1 ZINC000013124439 563378311 /nfs/dbraw/zinc/37/83/11/563378311.db2.gz IYEJXJXJJNGZQY-IBGZPJMESA-N 0 0 301.349 4.577 50 0 DJAARN CC(C)(C)c1cc(C(=S)N2CCCC2)cc(C(C)(C)C)c1O ZINC000013126200 563378313 /nfs/dbraw/zinc/37/83/13/563378313.db2.gz NYZBXFRUFOCELN-UHFFFAOYSA-N 0 0 319.514 4.759 50 0 DJAARN c1nc(-c2ccccc2)oc1CSc1nc2ccccc2[nH]1 ZINC000013230252 563379925 /nfs/dbraw/zinc/37/99/25/563379925.db2.gz GZWHTTHUQZXAAH-UHFFFAOYSA-N 0 0 307.378 4.510 50 0 DJAARN C[C@@H](COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1 ZINC000013282483 563379973 /nfs/dbraw/zinc/37/99/73/563379973.db2.gz NHDHVHZZCFYRSB-INIZCTEOSA-N 0 0 321.376 4.720 50 0 in-man DJAARN CSc1cccc(NC(=S)Nc2cc(C)ccc2C)c1 ZINC000013659068 563384884 /nfs/dbraw/zinc/38/48/84/563384884.db2.gz HHURJPVKVMEYIF-UHFFFAOYSA-N 0 0 302.468 4.834 50 0 DJAARN C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000013744553 563388178 /nfs/dbraw/zinc/38/81/78/563388178.db2.gz WXNNQKNKDYLMMS-SSDOTTSWSA-N 0 0 316.760 4.562 50 0 DJAARN C[C@H](c1ccc(Cl)cc1)N(C)Cc1nc2ccccc2o1 ZINC000032777540 563391410 /nfs/dbraw/zinc/39/14/10/563391410.db2.gz XPGUKTCDIPJPCC-GFCCVEGCSA-N 0 0 300.789 4.674 50 0 DJAARN CCc1ccccc1NC(=S)N[C@H](C)c1cc(C)ccc1C ZINC000013931195 563392134 /nfs/dbraw/zinc/39/21/34/563392134.db2.gz GTVBBBIOVDHMQZ-OAHLLOKOSA-N 0 0 312.482 4.913 50 0 DJAARN Cc1c2ccccc2[nH]c1[C@H]1c2ccccc2C(=O)N1C(C)(C)C ZINC000013955667 563393268 /nfs/dbraw/zinc/39/32/68/563393268.db2.gz PEPLEBJHGXNFIF-LJQANCHMSA-N 0 0 318.420 4.820 50 0 DJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000013958590 563393386 /nfs/dbraw/zinc/39/33/86/563393386.db2.gz UALMAMFREKWKOW-HDICACEKSA-N 0 0 321.464 4.998 50 0 DJAARN COc1ccccc1NC(=O)CCS[C@H](C)c1ccccc1 ZINC000032778754 563393860 /nfs/dbraw/zinc/39/38/60/563393860.db2.gz SIVOFYVLMOYBTN-CQSZACIVSA-N 0 0 315.438 4.518 50 0 DJAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c(C)c1 ZINC000014095772 563395264 /nfs/dbraw/zinc/39/52/64/563395264.db2.gz OJQNIIOZMJKSRG-UHFFFAOYSA-N 0 0 320.392 4.530 50 0 DJAARN Cc1cccc(-c2nnc([C@@H](C)Nc3ccc(Cl)cc3)o2)c1 ZINC000014136038 563396257 /nfs/dbraw/zinc/39/62/57/563396257.db2.gz GQIZTMBIAIDGEG-GFCCVEGCSA-N 0 0 313.788 4.872 50 0 DJAARN O=C(Nc1ccccc1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000014246005 563398893 /nfs/dbraw/zinc/39/88/93/563398893.db2.gz QOKHKDAFTZPEDZ-CQSZACIVSA-N 0 0 318.829 4.699 50 0 DJAARN Clc1ccc(CN2c3cc(Cl)ccc3N3CCC[C@@H]23)cc1 ZINC000014361537 563400313 /nfs/dbraw/zinc/40/03/13/563400313.db2.gz BTWBHZFQCQJJBY-QGZVFWFLSA-N 0 0 319.235 4.940 50 0 DJAARN C[C@H]1C[C@H]1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000014377432 563400388 /nfs/dbraw/zinc/40/03/88/563400388.db2.gz NVZAIOGHUWCQJM-SMDDNHRTSA-N 0 0 324.405 4.683 50 0 DJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000014268957 563400533 /nfs/dbraw/zinc/40/05/33/563400533.db2.gz LDZSWERXVLKWGR-MRXNPFEDSA-N 0 0 308.425 4.626 50 0 DJAARN Cc1cc(C)c(NC(=O)CCCc2cccs2)c(Cl)c1 ZINC000014668930 563402243 /nfs/dbraw/zinc/40/22/43/563402243.db2.gz RAWPDAPIPPABNS-UHFFFAOYSA-N 0 0 307.846 4.980 50 0 DJAARN CCCCOc1ccccc1C[C@@H]1c2cc(C)cc(C)c2NC1=O ZINC000015017987 563406245 /nfs/dbraw/zinc/40/62/45/563406245.db2.gz HXQQNBUCRBCZRM-GOSISDBHSA-N 0 0 323.436 4.761 50 0 DJAARN CN(Cc1cscn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000032893583 563408879 /nfs/dbraw/zinc/40/88/79/563408879.db2.gz DXPZHDBKVDSPKB-GOSISDBHSA-N 0 0 312.413 4.504 50 0 DJAARN Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CCc4ccccc43)cc2c1C ZINC000032905647 563410719 /nfs/dbraw/zinc/41/07/19/563410719.db2.gz KBIXMFCJKKEXIN-FQEVSTJZSA-N 0 0 318.420 4.544 50 0 DJAARN Clc1cc(Br)c(Cl)cc1Br ZINC000000390981 563413913 /nfs/dbraw/zinc/41/39/13/563413913.db2.gz DGJPEYHWCWGMFF-UHFFFAOYSA-N 0 0 304.796 4.518 50 0 DJAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cccc3ccccc32)on1 ZINC000032937729 563415793 /nfs/dbraw/zinc/41/57/93/563415793.db2.gz UGSZAYCFUDTIBK-QGZVFWFLSA-N 0 0 321.380 4.505 50 0 DJAARN FC(F)(F)c1cccnc1Oc1ccc(Br)cc1 ZINC000019806542 563416073 /nfs/dbraw/zinc/41/60/73/563416073.db2.gz OLGCYDJEZGMFQF-UHFFFAOYSA-N 0 0 318.092 4.655 50 0 DJAARN CC(C)(C)c1cc(Cl)ccc1OCCCCn1ccnc1 ZINC000012381566 563418941 /nfs/dbraw/zinc/41/89/41/563418941.db2.gz SVNOQMVLECWCJB-UHFFFAOYSA-N 0 0 306.837 4.693 50 0 DJAARN Cc1cc(Cl)ccc1Nc1nc(N)c(C(=O)CC(C)C)s1 ZINC000032947975 563418946 /nfs/dbraw/zinc/41/89/46/563418946.db2.gz VTPJXISBFAGOEA-UHFFFAOYSA-N 0 0 323.849 4.660 50 0 DJAARN CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000005633141 563419268 /nfs/dbraw/zinc/41/92/68/563419268.db2.gz OOEPTWYVKXPRLY-QZTJIDSGSA-N 0 0 323.480 4.736 50 0 DJAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C)cc1 ZINC000025559618 563423661 /nfs/dbraw/zinc/42/36/61/563423661.db2.gz XRTLAJONJNLLCK-YVEFUNNKSA-N 0 0 312.800 4.538 50 0 DJAARN COc1ccc(S[C@@H](C)c2nc(-c3cccs3)no2)cc1 ZINC000026045715 563424574 /nfs/dbraw/zinc/42/45/74/563424574.db2.gz SORZXJLCZKKSNS-JTQLQIEISA-N 0 0 318.423 4.660 50 0 DJAARN COc1cccc(CN(C)C(=O)Nc2cccc3ccccc32)c1 ZINC000011003459 563424901 /nfs/dbraw/zinc/42/49/01/563424901.db2.gz MDVUXKXPFFKQJA-UHFFFAOYSA-N 0 0 320.392 4.512 50 0 DJAARN COc1ccc(Cl)cc1C(=O)N[C@@H](c1cccs1)C(C)C ZINC000026802916 563426791 /nfs/dbraw/zinc/42/67/91/563426791.db2.gz HVBWITATNYEPMW-OAHLLOKOSA-N 0 0 323.845 4.537 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1C ZINC000027583514 563428775 /nfs/dbraw/zinc/42/87/75/563428775.db2.gz HFVOGXYZFHAEIM-UHFFFAOYSA-N 0 0 320.392 4.828 50 0 DJAARN CCN(C(=O)c1cc(-c2ccc(C)c(C)c2)on1)c1ccccc1 ZINC000027583543 563428823 /nfs/dbraw/zinc/42/88/23/563428823.db2.gz LRLOAVIDOKYALV-UHFFFAOYSA-N 0 0 320.392 4.625 50 0 DJAARN Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c1 ZINC000027582468 563428827 /nfs/dbraw/zinc/42/88/27/563428827.db2.gz HIONNNQXASQNKT-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(F)ccc1F ZINC000028210756 563430991 /nfs/dbraw/zinc/43/09/91/563430991.db2.gz MBKDGBKYRDEWRO-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN CC(C)Cc1ccc([C@H](C)c2n[nH]c(=S)n2C(C)C)cc1 ZINC000028295959 563431735 /nfs/dbraw/zinc/43/17/35/563431735.db2.gz SCUXKLDMYQIYIM-ZDUSSCGKSA-N 0 0 303.475 4.872 50 0 DJAARN Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)s3)cc2)co1 ZINC000029955099 563436152 /nfs/dbraw/zinc/43/61/52/563436152.db2.gz YQJWUUXKOQDTLM-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN Cc1nc(NC(=O)c2ccccc2F)sc1-c1ccccc1 ZINC000029921640 563436277 /nfs/dbraw/zinc/43/62/77/563436277.db2.gz RPPCZYKBVNOYRB-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Fc1cccc(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000032544614 563442785 /nfs/dbraw/zinc/44/27/85/563442785.db2.gz QVKWLABMZKHCDM-UHFFFAOYSA-N 0 0 307.250 4.531 50 0 DJAARN O=C(C[C@@H](c1ccc(F)cc1)[C@H]1CCCCC1=O)c1ccccc1 ZINC000000307691 563447387 /nfs/dbraw/zinc/44/73/87/563447387.db2.gz GTXZGYKPXWBFQH-MOPGFXCFSA-N 0 0 324.395 4.942 50 0 DJAARN COc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1 ZINC000000266011 563447574 /nfs/dbraw/zinc/44/75/74/563447574.db2.gz DPQQYZSHQTTZBC-UHFFFAOYSA-N 0 0 308.377 4.766 50 0 DJAARN COc1cccc2c(C)cc(NCc3cccc(Cl)c3)nc12 ZINC000016667847 563448913 /nfs/dbraw/zinc/44/89/13/563448913.db2.gz ZNPXSWWVDJOTRW-UHFFFAOYSA-N 0 0 312.800 4.817 50 0 DJAARN CCC(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000022108780 563449724 /nfs/dbraw/zinc/44/97/24/563449724.db2.gz VDPJFWDCUIHYNV-UHFFFAOYSA-N 0 0 316.360 4.997 50 0 DJAARN COc1ccc(OCCCOc2ccc(Cl)c(C)c2)cc1 ZINC000002904477 563449925 /nfs/dbraw/zinc/44/99/25/563449925.db2.gz HUWIGLNTUAECDK-UHFFFAOYSA-N 0 0 306.789 4.505 50 0 DJAARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)c(Cl)c1Cl)NC=O ZINC000034780546 563451184 /nfs/dbraw/zinc/45/11/84/563451184.db2.gz DGGKABXQVJYUBF-XOIDGJRKSA-N 0 0 320.647 4.821 50 0 DJAARN O=C(COc1ccc2c(c1)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000035181750 563452550 /nfs/dbraw/zinc/45/25/50/563452550.db2.gz YXQHIURUWPIYFD-UHFFFAOYSA-N 0 0 321.203 4.744 50 0 DJAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccncc1 ZINC000035325374 563452688 /nfs/dbraw/zinc/45/26/88/563452688.db2.gz CIJUIGBGNZNZKH-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000036620382 563455842 /nfs/dbraw/zinc/45/58/42/563455842.db2.gz NRXINNSWNCUIDE-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000036620546 563456137 /nfs/dbraw/zinc/45/61/37/563456137.db2.gz HROJLUUJLUFQEC-IBGZPJMESA-N 0 0 308.425 4.926 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1C ZINC000036621131 563456382 /nfs/dbraw/zinc/45/63/82/563456382.db2.gz HYTBLBJINZKDCE-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000036621152 563456669 /nfs/dbraw/zinc/45/66/69/563456669.db2.gz BQDUINQYGYQIGW-GOSISDBHSA-N 0 0 312.388 4.757 50 0 DJAARN Cc1cc(Oc2cc(N3CCCCCC3)ncn2)ccc1Cl ZINC000037376950 563458110 /nfs/dbraw/zinc/45/81/10/563458110.db2.gz ONHYLVGGNGLMJW-UHFFFAOYSA-N 0 0 317.820 4.611 50 0 DJAARN Nc1onc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000037350255 563458261 /nfs/dbraw/zinc/45/82/61/563458261.db2.gz DLJUSOPVEJABLR-UHFFFAOYSA-N 0 0 305.164 4.898 50 0 DJAARN Cc1cccc2[nH]c([C@H](C)Oc3ccc(Cl)c(C)c3)nc21 ZINC000033004193 563461221 /nfs/dbraw/zinc/46/12/21/563461221.db2.gz DXGVFUQZFGCCOR-LBPRGKRZSA-N 0 0 300.789 4.973 50 0 DJAARN CCc1ccc(C2=NNC(=Nc3ccccc3C)SC2)s1 ZINC000011116499 563465009 /nfs/dbraw/zinc/46/50/09/563465009.db2.gz VJKQZIOQZHBTMA-UHFFFAOYSA-N 0 0 315.467 4.538 50 0 DJAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccco1 ZINC000033036513 563469755 /nfs/dbraw/zinc/46/97/55/563469755.db2.gz BYXOWLVJMPQODP-UHFFFAOYSA-N 0 0 320.323 4.819 50 0 DJAARN O=C(N[C@H](c1ccccc1)C1CC1)c1cc(Cl)ccc1Cl ZINC000011203899 563480706 /nfs/dbraw/zinc/48/07/06/563480706.db2.gz ASQUHGCCWXCBNX-MRXNPFEDSA-N 0 0 320.219 4.875 50 0 DJAARN C(=C/c1nc2ccccc2c(N2CCCCC2)n1)\c1ccccc1 ZINC000004666672 563496901 /nfs/dbraw/zinc/49/69/01/563496901.db2.gz AYJXNZLKJVPEAH-BUHFOSPRSA-N 0 0 315.420 4.791 50 0 DJAARN CC[C@H](C)N1Cc2ccccc2N(CC)[C@@H]1c1ccccc1F ZINC000004668749 563497256 /nfs/dbraw/zinc/49/72/56/563497256.db2.gz RODLRMNVEAZBRE-YWZLYKJASA-N 0 0 312.432 4.965 50 0 DJAARN Cc1ccc(-c2ncccc2C(=O)Nc2cccc(F)c2)s1 ZINC000033139061 563497348 /nfs/dbraw/zinc/49/73/48/563497348.db2.gz CYMSTFRRNGCHFY-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN O=C(NC1CCCC1)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140128 563497666 /nfs/dbraw/zinc/49/76/66/563497666.db2.gz ITPAMGIMGSCGTC-UHFFFAOYSA-N 0 0 316.404 4.574 50 0 DJAARN Cc1nn2c(nccc2-c2ccco2)c1-c1cccc(Cl)c1 ZINC000071375849 563499076 /nfs/dbraw/zinc/49/90/76/563499076.db2.gz ACDQASVVXGDRKQ-UHFFFAOYSA-N 0 0 309.756 4.618 50 0 DJAARN Fc1ccc(-c2cnn3c2nccc3-c2ccccc2Cl)cc1 ZINC000071385174 563499254 /nfs/dbraw/zinc/49/92/54/563499254.db2.gz CGHDUDSQINYVQO-UHFFFAOYSA-N 0 0 323.758 4.856 50 0 DJAARN CC(C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000033169276 563499957 /nfs/dbraw/zinc/49/99/57/563499957.db2.gz ZMHNVQKXNFBONC-UHFFFAOYSA-N 0 0 306.365 4.603 50 0 DJAARN Fc1ccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033255368 563502659 /nfs/dbraw/zinc/50/26/59/563502659.db2.gz QKHWWWPIDBXSCL-UHFFFAOYSA-N 0 0 323.371 4.533 50 0 DJAARN CCCc1cc(=O)oc2cc(OCc3ccc(C)cc3)ccc12 ZINC000000044974 563512077 /nfs/dbraw/zinc/51/20/77/563512077.db2.gz RIKUSZGXBHNYOU-UHFFFAOYSA-N 0 0 308.377 4.633 50 0 biogenic DJAARN CCCC(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C ZINC000000055113 563515140 /nfs/dbraw/zinc/51/51/40/563515140.db2.gz MXWCNSJGEXNQIY-MAUKXSAKSA-N 0 0 308.425 4.765 50 0 DJAARN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc1C ZINC000033271191 563517986 /nfs/dbraw/zinc/51/79/86/563517986.db2.gz RTURGYOEUKJNFI-NDXORKPFSA-N 0 0 323.436 4.865 50 0 DJAARN Cc1ccc(CNC(=O)/C=C\c2c(Cl)cccc2Cl)cc1 ZINC000033317306 563519530 /nfs/dbraw/zinc/51/95/30/563519530.db2.gz ZKQCVUOQTNROCU-KTKRTIGZSA-N 0 0 320.219 4.631 50 0 DJAARN Cc1ccc2c(c1)C=C(C(=O)Nc1cc(C)ccc1C)C=CO2 ZINC000033321252 563521702 /nfs/dbraw/zinc/52/17/02/563521702.db2.gz YMZHZXVSPYBGOM-UHFFFAOYSA-N 0 0 305.377 4.540 50 0 DJAARN Cc1cccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000033327180 563521840 /nfs/dbraw/zinc/52/18/40/563521840.db2.gz VSSMBKHBQAQJNK-UHFFFAOYSA-N 0 0 307.180 4.757 50 0 DJAARN Cc1ccc(-c2nc3ccccc3c(N3CCC[C@@H](C)C3)n2)cc1 ZINC000000080956 563524597 /nfs/dbraw/zinc/52/45/97/563524597.db2.gz LJZSJQRATDDPHQ-MRXNPFEDSA-N 0 0 317.436 4.842 50 0 DJAARN CCc1cccc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000011467741 563526967 /nfs/dbraw/zinc/52/69/67/563526967.db2.gz FVNFQZDJQULVFW-UHFFFAOYSA-N 0 0 321.376 4.673 50 0 DJAARN Clc1cc(Br)cc(OC(Cl)(Cl)Cl)c1 ZINC000095215591 563529074 /nfs/dbraw/zinc/52/90/74/563529074.db2.gz JKSNFDHPHCFNOJ-UHFFFAOYSA-N 0 0 324.816 4.809 50 0 DJAARN CCc1cc(=O)oc2cc3occ(-c4ccc(OC)cc4)c3cc12 ZINC000000095263 563531723 /nfs/dbraw/zinc/53/17/23/563531723.db2.gz MIMDFQORCOFNTL-UHFFFAOYSA-N 0 0 320.344 4.777 50 0 biogenic DJAARN Cc1nc(C)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)s1 ZINC000096148556 563534028 /nfs/dbraw/zinc/53/40/28/563534028.db2.gz NJTRCIOVJWDKPI-UHFFFAOYSA-N 0 0 316.470 4.686 50 0 DJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000097155883 563537548 /nfs/dbraw/zinc/53/75/48/563537548.db2.gz SEBAYFQUTFKDPL-OAHLLOKOSA-N 0 0 309.365 4.620 50 0 DJAARN O=C(c1ccnc(-c2ccc(C3CCCC3)cc2)c1)N1CCCC1 ZINC000097217647 563538356 /nfs/dbraw/zinc/53/83/56/563538356.db2.gz AQZMQENUTUJQLQ-UHFFFAOYSA-N 0 0 320.436 4.642 50 0 DJAARN Cc1cc2cccc(C(=O)N3CCCC[C@@H]3c3cccnc3)c2o1 ZINC000097360239 563538588 /nfs/dbraw/zinc/53/85/88/563538588.db2.gz CFZOLAIIKNJTHF-GOSISDBHSA-N 0 0 320.392 4.504 50 0 DJAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C)c(C)c1 ZINC000000098364 563538758 /nfs/dbraw/zinc/53/87/58/563538758.db2.gz JZVVQUJEEIJRMB-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN CCc1cccc(C)c1NC(=O)CCOc1cc(C)cc(C)c1 ZINC000011637546 563539443 /nfs/dbraw/zinc/53/94/43/563539443.db2.gz SFNFHOQFGGLYJW-UHFFFAOYSA-N 0 0 311.425 4.582 50 0 DJAARN COc1cccc([C@@H]2CCCCN2Cc2coc(C(C)C)n2)c1 ZINC000097546662 563540650 /nfs/dbraw/zinc/54/06/50/563540650.db2.gz BNYKNTJIWQEOFG-SFHVURJKSA-N 0 0 314.429 4.534 50 0 DJAARN Cc1cc([C@@H]2CCCCN2Cc2ccc(F)cc2Cl)no1 ZINC000097681888 563541876 /nfs/dbraw/zinc/54/18/76/563541876.db2.gz CZPUBYHSIVHZJV-INIZCTEOSA-N 0 0 308.784 4.503 50 0 DJAARN Cc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1F ZINC000098073003 563543804 /nfs/dbraw/zinc/54/38/04/563543804.db2.gz OZTRJXLHFCTWKC-UHFFFAOYSA-N 0 0 319.379 4.905 50 0 DJAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccnc1 ZINC000100630809 563552480 /nfs/dbraw/zinc/55/24/80/563552480.db2.gz XNTQYMXXSAXOGU-IBGZPJMESA-N 0 0 319.408 4.953 50 0 DJAARN CCCCOc1ccccc1C[C@H]1c2cc(C)cc(C)c2NC1=O ZINC000101014652 563555956 /nfs/dbraw/zinc/55/59/56/563555956.db2.gz HXQQNBUCRBCZRM-SFHVURJKSA-N 0 0 323.436 4.761 50 0 DJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2c(s1)CCC2 ZINC000014181977 563560687 /nfs/dbraw/zinc/56/06/87/563560687.db2.gz USJBSCFGIQARPI-UHFFFAOYSA-N 0 0 312.221 4.796 50 0 DJAARN Cc1sc(-c2ccc(O)cc2)nc1-c1c[nH]c2ccccc21 ZINC000000103904 563568305 /nfs/dbraw/zinc/56/83/05/563568305.db2.gz PDPMNEKXHHUHPS-UHFFFAOYSA-N 0 0 306.390 4.972 50 0 DJAARN Fc1ccc(Oc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000125675 563571421 /nfs/dbraw/zinc/57/14/21/563571421.db2.gz KAXNGUPYWGBEAE-UHFFFAOYSA-N 0 0 300.358 4.502 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 ZINC000000121753 563571488 /nfs/dbraw/zinc/57/14/88/563571488.db2.gz UDSYJVBVXRWNKE-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN Cc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1C ZINC000000130363 563572202 /nfs/dbraw/zinc/57/22/02/563572202.db2.gz IGOZFHZCXGQSKX-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000000180230 563575662 /nfs/dbraw/zinc/57/56/62/563575662.db2.gz MUOWUMUAFUAJDN-LJQANCHMSA-N 0 0 311.450 4.897 50 0 DJAARN O=c1oc2ccccc2cc1-c1nc(-c2ccc(F)cc2)cs1 ZINC000000196752 563577355 /nfs/dbraw/zinc/57/73/55/563577355.db2.gz SWGASKDNHZQEHS-UHFFFAOYSA-N 0 0 323.348 4.723 50 0 DJAARN COc1ccc(C)cc1Nc1nc(C)nc2sc(C)c(C)c21 ZINC000000223258 563580012 /nfs/dbraw/zinc/58/00/12/563580012.db2.gz NTVBYLBNHFTGGT-UHFFFAOYSA-N 0 0 313.426 4.677 50 0 DJAARN O=C1CS[C@@H](c2ccccc2Cl)N1c1cccc(Cl)c1 ZINC000000240213 563580604 /nfs/dbraw/zinc/58/06/04/563580604.db2.gz PDTFUFNKAWDNJO-HNNXBMFYSA-N 0 0 324.232 4.772 50 0 DJAARN COc1ccc2c(Cl)c(C(=O)Nc3ccccc3)sc2c1 ZINC000000251088 563582390 /nfs/dbraw/zinc/58/23/90/563582390.db2.gz XYBFMFSFAPVMCI-UHFFFAOYSA-N 0 0 317.797 4.816 50 0 DJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC000000281569 563584764 /nfs/dbraw/zinc/58/47/64/563584764.db2.gz OXYMQVGPRWTGEZ-GFCCVEGCSA-N 0 0 305.830 4.768 50 0 DJAARN CC(C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)Nc2ccccc21 ZINC000000332746 563588594 /nfs/dbraw/zinc/58/85/94/563588594.db2.gz KLNRFEANOBVSAV-KXBFYZLASA-N 0 0 308.425 4.621 50 0 DJAARN Cc1ccc(NCn2nc(-c3ccccc3)oc2=S)c(C)c1 ZINC000000329456 563588716 /nfs/dbraw/zinc/58/87/16/563588716.db2.gz BYJSASYGQRADLP-UHFFFAOYSA-N 0 0 311.410 4.559 50 0 DJAARN Cc1ccccc1N1C(=O)c2cccc3c(Cl)ccc(c32)C1=O ZINC000000341533 563589477 /nfs/dbraw/zinc/58/94/77/563589477.db2.gz IPUYAGPLHQJHNY-UHFFFAOYSA-N 0 0 321.763 4.602 50 0 DJAARN CC(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000000348821 563589700 /nfs/dbraw/zinc/58/97/00/563589700.db2.gz GFRKDRVUUBTHRN-UHFFFAOYSA-N 0 0 301.430 4.680 50 0 DJAARN O=C(Nc1ccccc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000000371835 563590709 /nfs/dbraw/zinc/59/07/09/563590709.db2.gz KRANHGYMKVJEBT-OAHLLOKOSA-N 0 0 300.789 4.539 50 0 DJAARN O=C(Nc1ccccc1)c1ccc(CSc2ccccn2)cc1 ZINC000000386473 563591830 /nfs/dbraw/zinc/59/18/30/563591830.db2.gz UVWXGWFQCQCRDQ-UHFFFAOYSA-N 0 0 320.417 4.626 50 0 DJAARN Cc1ccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000000384849 563591948 /nfs/dbraw/zinc/59/19/48/563591948.db2.gz ZHRZODHNWYHZIF-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN COc1ccccc1/C=C\c1nc2ccccn2c1NC(C)(C)C ZINC000033482548 563592532 /nfs/dbraw/zinc/59/25/32/563592532.db2.gz BKKUMZMZKHZEOF-SEYXRHQNSA-N 0 0 321.424 4.724 50 0 DJAARN CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000004935487 563594592 /nfs/dbraw/zinc/59/45/92/563594592.db2.gz OKVUYXINBKFLCD-DJKXOVBDSA-N 0 0 308.425 4.621 50 0 DJAARN O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1cccs1 ZINC000011858463 563600054 /nfs/dbraw/zinc/60/00/54/563600054.db2.gz CYRGOIJUTSRNPO-ONEGZZNKSA-N 0 0 307.374 4.533 50 0 DJAARN Cc1nc2c(c(Nc3ccc(Nc4ccccc4)cc3)n1)CCC2 ZINC000011907829 563601418 /nfs/dbraw/zinc/60/14/18/563601418.db2.gz IVTQEKGJQBHTEF-UHFFFAOYSA-N 0 0 316.408 4.761 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1F ZINC000011916780 563601471 /nfs/dbraw/zinc/60/14/71/563601471.db2.gz HAFSGQABFIYFQL-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)c1ccccc1 ZINC000012016860 563603405 /nfs/dbraw/zinc/60/34/05/563603405.db2.gz WPHBCOPKKUHQJW-AWEZNQCLSA-N 0 0 320.417 4.507 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1Cl ZINC000000179969 563606690 /nfs/dbraw/zinc/60/66/90/563606690.db2.gz CBEOFYOWFMHLBS-INIZCTEOSA-N 0 0 321.804 4.566 50 0 DJAARN Cc1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1 ZINC000000260280 563607403 /nfs/dbraw/zinc/60/74/03/563607403.db2.gz UERWKPGHHYUQNW-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Cc1ccc([C@@H]2n3c4ccccc4nc3-c3ccccc3N2C)o1 ZINC000000203658 563611016 /nfs/dbraw/zinc/61/10/16/563611016.db2.gz IEQJTPVFFBPVML-FQEVSTJZSA-N 0 0 315.376 4.601 50 0 DJAARN Cc1cccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=S)c1C ZINC000000424444 563611960 /nfs/dbraw/zinc/61/19/60/563611960.db2.gz XDSQQDZAAWPHRC-UHFFFAOYSA-N 0 0 324.405 4.547 50 0 DJAARN CCn1c(SCc2ccccc2)nnc1C1CCCCC1 ZINC000000422352 563612245 /nfs/dbraw/zinc/61/22/45/563612245.db2.gz GDJLBLTYEUKEJI-UHFFFAOYSA-N 0 0 301.459 4.638 50 0 DJAARN Cc1ccc(-n2c(=O)c3sc4ccccc4c3[nH]c2=S)cc1 ZINC000000424645 563612262 /nfs/dbraw/zinc/61/22/62/563612262.db2.gz BVUVAHFVSDTXSJ-UHFFFAOYSA-N 0 0 324.430 4.571 50 0 DJAARN C[C@H]1CN(c2nc3ccccc3cc2-c2ccccc2)C[C@H](C)O1 ZINC000005276217 563619493 /nfs/dbraw/zinc/61/94/93/563619493.db2.gz JJGWRHQVRKJBHZ-HOTGVXAUSA-N 0 0 318.420 4.515 50 0 DJAARN COC1=CC2=CC[C@H]3[C@H]4CC[C@@]5(CO5)[C@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000005377427 563620242 /nfs/dbraw/zinc/62/02/42/563620242.db2.gz HECCEGWAJYZYKW-JRBOJVLQSA-N 0 0 314.469 4.858 50 0 DJAARN O=C(OCCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002490420 563621579 /nfs/dbraw/zinc/62/15/79/563621579.db2.gz HCRUNJLTDRNZOU-UHFFFAOYSA-N 0 0 302.373 4.753 50 0 DJAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CC[C@@H](c1ccccc1)O3 ZINC000002129324 563621717 /nfs/dbraw/zinc/62/17/17/563621717.db2.gz LFGTWKSMTSGXJC-SFHVURJKSA-N 0 0 320.388 4.785 50 0 biogenic DJAARN Cc1cc(C)cc(OC(=O)/C=C/c2nc3ccccc3s2)c1 ZINC000007781295 563625351 /nfs/dbraw/zinc/62/53/51/563625351.db2.gz AZXWIZMNUBUPRL-BQYQJAHWSA-N 0 0 309.390 4.532 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000008558814 563625519 /nfs/dbraw/zinc/62/55/19/563625519.db2.gz SIQAKPWLMDUNCD-MRXNPFEDSA-N 0 0 311.425 4.833 50 0 DJAARN O=C(NCc1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000000476307 563627296 /nfs/dbraw/zinc/62/72/96/563627296.db2.gz RPQBAICVVAGZOD-UHFFFAOYSA-N 0 0 319.788 4.624 50 0 DJAARN COc1ccc(C(C)=O)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000000137772 563628120 /nfs/dbraw/zinc/62/81/20/563628120.db2.gz PLBWJRYDDBHHNU-UHFFFAOYSA-N 0 0 318.800 4.747 50 0 DJAARN O=C(COc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000000476270 563630685 /nfs/dbraw/zinc/63/06/85/563630685.db2.gz XHLZAZUXZZMASI-UHFFFAOYSA-N 0 0 306.336 4.754 50 0 DJAARN COc1ccc(-c2csc([C@@H]3CCO[C@H](C(C)C)C3)n2)cc1 ZINC000000497139 563650606 /nfs/dbraw/zinc/65/06/06/563650606.db2.gz FOQSLYIJGKDUCH-PBHICJAKSA-N 0 0 317.454 4.737 50 0 DJAARN CCC1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000000240494 563664105 /nfs/dbraw/zinc/66/41/05/563664105.db2.gz HNQZDUYPBVNOBR-UHFFFAOYSA-N 0 0 310.235 4.604 50 0 DJAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2CC(C)C)cc1 ZINC000000537247 563667157 /nfs/dbraw/zinc/66/71/57/563667157.db2.gz VNAFCPZYKCZRMC-UHFFFAOYSA-N 0 0 316.408 4.611 50 0 DJAARN Cc1ccc2[nH]c3c(ncnc3NCc3ccccc3Cl)c2c1 ZINC000000543280 563668767 /nfs/dbraw/zinc/66/87/67/563668767.db2.gz ULZJVZTUGDABAU-UHFFFAOYSA-N 0 0 322.799 4.685 50 0 DJAARN Cc1cc(F)ccc1NC(=O)c1ccccc1Cc1ccccc1 ZINC000014785911 563672501 /nfs/dbraw/zinc/67/25/01/563672501.db2.gz UJQRLGNRCHKPEL-UHFFFAOYSA-N 0 0 319.379 4.977 50 0 DJAARN Cc1ccc(OCCn2cc(C(=O)C3CC3)c3ccccc32)cc1 ZINC000000578884 563675139 /nfs/dbraw/zinc/67/51/39/563675139.db2.gz GXDCHQMZNQLOEQ-UHFFFAOYSA-N 0 0 319.404 4.621 50 0 DJAARN O=C([C@H]1CCCc2ccccc21)N1CCC[C@H]1c1ccsc1 ZINC000046911841 563677858 /nfs/dbraw/zinc/67/78/58/563677858.db2.gz LWAFVQGHRIOZSZ-ROUUACIJSA-N 0 0 311.450 4.532 50 0 DJAARN O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H]1c1ccsc1 ZINC000046911843 563678278 /nfs/dbraw/zinc/67/82/78/563678278.db2.gz LWAFVQGHRIOZSZ-MSOLQXFVSA-N 0 0 311.450 4.532 50 0 DJAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2cccc(C)c2)C1(C)C ZINC000106863110 563682342 /nfs/dbraw/zinc/68/23/42/563682342.db2.gz APJYJDUVACDGGG-GUDVDZBRSA-N 0 0 311.469 4.897 50 0 DJAARN Cc1ccc(/C=C\n2c3ccc(C)cc3c3c2CCN(C)C3)cc1 ZINC000045374016 563688705 /nfs/dbraw/zinc/68/87/05/563688705.db2.gz PGTITFHSGHMHPT-RAXLEYEMSA-N 0 0 316.448 4.874 50 0 DJAARN Cc1c(F)cccc1NC(=O)Nc1ccccc1Br ZINC000051354535 563691232 /nfs/dbraw/zinc/69/12/32/563691232.db2.gz ITMPVOVTMAQWJO-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN Cc1cccc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)c1 ZINC000046017977 563691620 /nfs/dbraw/zinc/69/16/20/563691620.db2.gz NJGNPEOKJSXZGB-INIZCTEOSA-N 0 0 317.791 4.765 50 0 DJAARN O=C(c1c(F)cccc1Cl)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018071 563691839 /nfs/dbraw/zinc/69/18/39/563691839.db2.gz MQCVCRYXPOCHCM-HNNXBMFYSA-N 0 0 321.754 4.596 50 0 DJAARN O=C(Nc1ccccc1F)N1CCC[C@@H]1c1ccccc1Cl ZINC000048051335 563692756 /nfs/dbraw/zinc/69/27/56/563692756.db2.gz NDJJEBJYZGNZCR-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN c1cc([C@@H]2CCCN2Cc2nc3ccccc3s2)cs1 ZINC000048235986 563694038 /nfs/dbraw/zinc/69/40/38/563694038.db2.gz BZBDEWXNCHNBHG-AWEZNQCLSA-N 0 0 300.452 4.695 50 0 DJAARN C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000048325867 563696514 /nfs/dbraw/zinc/69/65/14/563696514.db2.gz ZBHJAAUPKXXANI-LBPRGKRZSA-N 0 0 320.339 4.513 50 0 DJAARN Cc1cc2cc(N[C@@H](C)c3nc(-c4cccs4)no3)ccc2[nH]1 ZINC000113307990 563701112 /nfs/dbraw/zinc/70/11/12/563701112.db2.gz IHNPGWBECIJLSX-NSHDSACASA-N 0 0 324.409 4.761 50 0 DJAARN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc2ccccc2c1 ZINC000014909871 563703241 /nfs/dbraw/zinc/70/32/41/563703241.db2.gz LCCYWNXYZOXDBY-QGZVFWFLSA-N 0 0 317.432 4.520 50 0 DJAARN Cc1csc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)n1 ZINC000007180624 563713707 /nfs/dbraw/zinc/71/37/07/563713707.db2.gz SRCZTRSTORFOIY-NSHDSACASA-N 0 0 317.439 4.663 50 0 DJAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1cc2ccccc2o1 ZINC000390830527 563719845 /nfs/dbraw/zinc/71/98/45/563719845.db2.gz LPDKIRRDTXQKDY-UHFFFAOYSA-N 0 0 317.344 4.623 50 0 DJAARN CCOc1ccccc1[C@H]1Nc2ccc(C)cc2-c2cc(C)nn21 ZINC000000817744 563720644 /nfs/dbraw/zinc/72/06/44/563720644.db2.gz YQUHYHRIBIBQBM-FQEVSTJZSA-N 0 0 319.408 4.538 50 0 DJAARN COc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000000445074 563724776 /nfs/dbraw/zinc/72/47/76/563724776.db2.gz PKKHXWMQTBWZNA-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN CCc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc(OC)cc1)N2 ZINC000222353966 563725147 /nfs/dbraw/zinc/72/51/47/563725147.db2.gz WJGKHRKQVHWSMK-DUXKGJEZSA-N 0 0 323.436 4.892 50 0 DJAARN Cc1cc(CNc2ccc(-c3ccccc3)cn2)cc(Cl)n1 ZINC000225516876 563757708 /nfs/dbraw/zinc/75/77/08/563757708.db2.gz HDVYFUFCIWOQJL-UHFFFAOYSA-N 0 0 309.800 4.718 50 0 DJAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253611244 563784447 /nfs/dbraw/zinc/78/44/47/563784447.db2.gz DYVGYXXLXQESJE-PEVULQDJSA-N 0 0 318.501 4.595 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497547 563784471 /nfs/dbraw/zinc/78/44/71/563784471.db2.gz AURFZBICLPNKBZ-LRHPIFBUSA-N 0 0 318.501 4.595 50 0 biogenic DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253611277 563785230 /nfs/dbraw/zinc/78/52/30/563785230.db2.gz MLNZCTSOJJGHSQ-NOULKFBDSA-N 0 0 314.469 4.579 50 0 DJAARN CCc1nc2ccccc2c(NC(=O)/C=C/c2ccccc2)c1C ZINC000000980157 563785576 /nfs/dbraw/zinc/78/55/76/563785576.db2.gz JZCMPYISYSAMDF-BUHFOSPRSA-N 0 0 316.404 4.758 50 0 DJAARN Cc1ccc2oc(=O)cc(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000001016434 563786688 /nfs/dbraw/zinc/78/66/88/563786688.db2.gz ISISACAAIBCYEJ-UHFFFAOYSA-N 0 0 303.720 4.638 50 0 DJAARN O=C1[C@H](Cc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000001019834 563786786 /nfs/dbraw/zinc/78/67/86/563786786.db2.gz OAJDVBJWASMZHT-RTWAWAEBSA-N 0 0 313.400 4.633 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025314361 563787551 /nfs/dbraw/zinc/78/75/51/563787551.db2.gz AKLHEQGXTBGPNF-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN CCCCc1nn2c(C)c(-c3ccc(OCC)cc3)nc2s1 ZINC000007994994 563795192 /nfs/dbraw/zinc/79/51/92/563795192.db2.gz DIHBWFCXVTUOPA-UHFFFAOYSA-N 0 0 315.442 4.508 50 0 DJAARN Clc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000031676129 563796076 /nfs/dbraw/zinc/79/60/76/563796076.db2.gz UEVIQJHPCYNOAD-UHFFFAOYSA-N 0 0 321.163 4.622 50 0 DJAARN CC(C)Oc1ccc(NC(=O)Nc2ccccc2F)cc1Cl ZINC000031663727 563796151 /nfs/dbraw/zinc/79/61/51/563796151.db2.gz HJEXUISRUSCAQX-UHFFFAOYSA-N 0 0 322.767 4.910 50 0 DJAARN Cc1ccccc1N=C1NN=C(c2ccc(Cl)s2)CS1 ZINC000012522807 563797396 /nfs/dbraw/zinc/79/73/96/563797396.db2.gz DVAWGSVGCBRDKD-UHFFFAOYSA-N 0 0 321.858 4.629 50 0 DJAARN Cc1cccc2sc(C(=O)Nc3ccccn3)c(Cl)c21 ZINC000012590698 563802919 /nfs/dbraw/zinc/80/29/19/563802919.db2.gz NNEVJFXGPQSIMZ-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CCc1cccc(NC(=O)COc2cc(C(C)C)ccc2C)c1 ZINC000015316696 563804287 /nfs/dbraw/zinc/80/42/87/563804287.db2.gz FYHUJIUURGVCPY-UHFFFAOYSA-N 0 0 311.425 4.698 50 0 DJAARN Cc1c(Cl)cccc1N[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000078595076 563809209 /nfs/dbraw/zinc/80/92/09/563809209.db2.gz QPLWPTQTQQOVTK-LBPRGKRZSA-N 0 0 313.788 4.872 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2cccc(C)c2)c2cc(C)ccc2O1 ZINC000001328850 563811451 /nfs/dbraw/zinc/81/14/51/563811451.db2.gz LQEHRDHPSSJMCY-INIZCTEOSA-N 0 0 310.397 4.513 50 0 DJAARN O=C(c1ccccc1Cl)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032100701 563811497 /nfs/dbraw/zinc/81/14/97/563811497.db2.gz GRMCEYMLMAIGRB-UHFFFAOYSA-N 0 0 324.811 4.626 50 0 DJAARN Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)c(Cl)c1 ZINC000001314005 563811539 /nfs/dbraw/zinc/81/15/39/563811539.db2.gz LQOMOQICBFYSQI-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN Cn1c2cc(Cl)c(Cl)cc2nc1-c1cccnc1Cl ZINC000001382146 563814590 /nfs/dbraw/zinc/81/45/90/563814590.db2.gz VITHVMZMUZJYGR-UHFFFAOYSA-N 0 0 312.587 4.596 50 0 DJAARN O=C1CCCc2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000001386970 563814958 /nfs/dbraw/zinc/81/49/58/563814958.db2.gz IRMQRVFJFGKZHJ-UHFFFAOYSA-N 0 0 320.219 4.863 50 0 DJAARN Cc1ccc(Oc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000001387555 563815303 /nfs/dbraw/zinc/81/53/03/563815303.db2.gz PSILJPBDMCCERC-UHFFFAOYSA-N 0 0 304.271 4.749 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2F)c2cccnc12 ZINC000012735105 563815772 /nfs/dbraw/zinc/81/57/72/563815772.db2.gz PDZFTVWSGPLUOR-UHFFFAOYSA-N 0 0 314.747 4.588 50 0 DJAARN Cc1nc(-c2ccccc2)sc1-c1cn2ccc(C)cc2n1 ZINC000001390126 563816113 /nfs/dbraw/zinc/81/61/13/563816113.db2.gz WIFAMKPCYAGPFZ-UHFFFAOYSA-N 0 0 305.406 4.742 50 0 DJAARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1ccco1 ZINC000004648778 563816719 /nfs/dbraw/zinc/81/67/19/563816719.db2.gz XTMGRNIXXUJHEV-QUHSPFQSSA-N 0 0 302.329 4.680 50 0 DJAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCCc2ccccc21 ZINC000001393930 563817329 /nfs/dbraw/zinc/81/73/29/563817329.db2.gz XOIVAVFXMBDDQK-UHFFFAOYSA-N 0 0 306.192 4.586 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)cc1F ZINC000012738551 563818126 /nfs/dbraw/zinc/81/81/26/563818126.db2.gz UOZKCIPWYINOLU-UHFFFAOYSA-N 0 0 324.330 4.588 50 0 DJAARN CC[C@H](C)Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000001400360 563818717 /nfs/dbraw/zinc/81/87/17/563818717.db2.gz ZDGASVMCFAARLE-NSHDSACASA-N 0 0 320.845 4.878 50 0 DJAARN O=C(NCc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000001405249 563819526 /nfs/dbraw/zinc/81/95/26/563819526.db2.gz IAESHTHFRXFPBW-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)[C@@H]1C[C@@H]1C ZINC000084064645 563821091 /nfs/dbraw/zinc/82/10/91/563821091.db2.gz QDFZTUJCVDMTAP-NURSFMCSSA-N 0 0 319.401 4.518 50 0 DJAARN CSc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000001430297 563823750 /nfs/dbraw/zinc/82/37/50/563823750.db2.gz MFEBOKGKJRSCDZ-LJQANCHMSA-N 0 0 321.449 4.861 50 0 DJAARN O=C(c1csc2ccccc12)N1CC[C@H](c2ccccc2)C1 ZINC000084525536 563827722 /nfs/dbraw/zinc/82/77/22/563827722.db2.gz UTFWTIKZGKLVMW-HNNXBMFYSA-N 0 0 307.418 4.531 50 0 DJAARN C[C@@H]1CCCN(C(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000084697647 563829656 /nfs/dbraw/zinc/82/96/56/563829656.db2.gz RAYHFYQOLWVYIG-HIFRSBDPSA-N 0 0 308.491 4.667 50 0 DJAARN CCN(C(=O)c1cc(C)n(Cc2ccccc2)c1C)C1CCCC1 ZINC000084761152 563830536 /nfs/dbraw/zinc/83/05/36/563830536.db2.gz UIOQTVKISDNJMX-UHFFFAOYSA-N 0 0 324.468 4.558 50 0 DJAARN CC[C@H]1CCCCN1C(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000084735488 563830666 /nfs/dbraw/zinc/83/06/66/563830666.db2.gz ACAWVSZJTWKDEI-SFHVURJKSA-N 0 0 323.436 4.767 50 0 DJAARN CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)cc1 ZINC000001439950 563832113 /nfs/dbraw/zinc/83/21/13/563832113.db2.gz YAEDYFCEFQZGFM-UHFFFAOYSA-N 0 0 309.409 4.747 50 0 DJAARN CC[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1 ZINC000011907407 563835925 /nfs/dbraw/zinc/83/59/25/563835925.db2.gz QWXLVNJVEVYHBJ-QGZVFWFLSA-N 0 0 322.433 4.744 50 0 DJAARN COC(=O)c1cc(-c2ccc(CC(C)C)cc2)nc2ccccc21 ZINC000001457154 563835930 /nfs/dbraw/zinc/83/59/30/563835930.db2.gz MDHKLVDLNQXSLA-UHFFFAOYSA-N 0 0 319.404 4.887 50 0 DJAARN CC(C)c1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000012812537 563836031 /nfs/dbraw/zinc/83/60/31/563836031.db2.gz ALSNUSZOUYGYMZ-UHFFFAOYSA-N 0 0 310.422 4.696 50 0 DJAARN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c2ccccc21)c1cnccn1 ZINC000185332217 563838306 /nfs/dbraw/zinc/83/83/06/563838306.db2.gz MXZHZRDYGWIBHV-STQMWFEESA-N 0 0 311.816 4.695 50 0 DJAARN CC[C@H]1CCCCN1C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000001480325 563839129 /nfs/dbraw/zinc/83/91/29/563839129.db2.gz SCMAIBKNVRPOJJ-VMPCVLLUSA-N 0 0 312.240 4.798 50 0 DJAARN CCOc1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000000182208 563842689 /nfs/dbraw/zinc/84/26/89/563842689.db2.gz XXRGNRZVPGEJOH-UHFFFAOYSA-N 0 0 306.365 4.883 50 0 DJAARN CC(C)n1ccc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc21 ZINC000085879251 563844202 /nfs/dbraw/zinc/84/42/02/563844202.db2.gz SPFLHNAETPOMAB-UHFFFAOYSA-N 0 0 317.392 4.956 50 0 biogenic DJAARN C[C@@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)c1ccccc1 ZINC000012865358 563845619 /nfs/dbraw/zinc/84/56/19/563845619.db2.gz KRDRQCBJEONDNI-CQSZACIVSA-N 0 0 315.372 4.971 50 0 DJAARN Cc1ccccc1NC(=O)Oc1ccc(Cl)c2cccnc12 ZINC000000397948 563846065 /nfs/dbraw/zinc/84/60/65/563846065.db2.gz RSWXUTKQPKETAK-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 ZINC000012868445 563846067 /nfs/dbraw/zinc/84/60/67/563846067.db2.gz QKFRTVVSILXFMW-JHMRYYBSSA-N 0 0 323.436 4.826 50 0 DJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000038329 563846232 /nfs/dbraw/zinc/84/62/32/563846232.db2.gz GTZUASCJOCKKQS-NXEZZACHSA-N 0 0 301.217 4.788 50 0 DJAARN Clc1ccc([C@]23Nc4ccccc4N2Cc2ccccc23)cc1 ZINC000002172298 563847455 /nfs/dbraw/zinc/84/74/55/563847455.db2.gz LETTWAUYEUKYHJ-FQEVSTJZSA-N 0 0 318.807 4.987 50 0 DJAARN Cc1csc(-c2cc(N3CCC(C)CC3)c3ccccc3n2)n1 ZINC000025695275 563847846 /nfs/dbraw/zinc/84/78/46/563847846.db2.gz VIAOSNRGPVAGIT-UHFFFAOYSA-N 0 0 323.465 4.903 50 0 DJAARN Cc1[nH]c2ccc(C(=O)Nc3cccc4ncccc43)cc2c1C ZINC000012923778 563854204 /nfs/dbraw/zinc/85/42/04/563854204.db2.gz ZJNCCPWQOLTFAK-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012926640 563854684 /nfs/dbraw/zinc/85/46/84/563854684.db2.gz FUUSBDSJXLEGJE-UHFFFAOYSA-N 0 0 320.367 4.757 50 0 DJAARN c1csc(-c2nc(CN3CCC[C@H]3c3cccs3)c[nH]2)c1 ZINC000075109068 563860535 /nfs/dbraw/zinc/86/05/35/563860535.db2.gz YFOURHGMSNIJFZ-ZDUSSCGKSA-N 0 0 315.467 4.537 50 0 DJAARN CCCCOc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000075284466 563862752 /nfs/dbraw/zinc/86/27/52/563862752.db2.gz LFVWMIVQJHGXLC-UHFFFAOYSA-N 0 0 308.381 4.891 50 0 DJAARN C[C@H](Cc1csc2ccccc12)NC(=O)Nc1cccs1 ZINC000575619393 563867817 /nfs/dbraw/zinc/86/78/17/563867817.db2.gz DPDNAIIOJDZWCQ-LLVKDONJSA-N 0 0 316.451 4.716 50 0 DJAARN Cc1ccccc1NC(=O)N[C@@H](C)Cc1csc2ccccc12 ZINC000575620770 563868294 /nfs/dbraw/zinc/86/82/94/563868294.db2.gz LZQBDTZXYKYZPM-AWEZNQCLSA-N 0 0 324.449 4.962 50 0 DJAARN Cc1ccc2[nH]c(SCC(=O)c3c(C)cc(C)cc3C)nc2c1 ZINC000012971061 563871546 /nfs/dbraw/zinc/87/15/46/563871546.db2.gz JMQMJOOCICGQOZ-UHFFFAOYSA-N 0 0 324.449 4.772 50 0 DJAARN CCc1cccc(NC(=O)c2c(C)onc2-c2cccc(F)c2)c1 ZINC000035536564 563872287 /nfs/dbraw/zinc/87/22/87/563872287.db2.gz ZTQUIRKJMWNCNH-UHFFFAOYSA-N 0 0 324.355 4.604 50 0 DJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cc(C)ccc1C ZINC000035536526 563872434 /nfs/dbraw/zinc/87/24/34/563872434.db2.gz XZXBRLFCMDIGGT-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Cc1ccc2nc(Cl)c(C=C3SC(=S)NC3=O)cc2c1 ZINC000095350676 563874543 /nfs/dbraw/zinc/87/45/43/563874543.db2.gz CZNJCRQWSCOQJP-IZZDOVSWSA-N 0 0 320.826 4.526 50 0 DJAARN Cc1cccc2sc(NC(=O)c3cc(Cl)ccc3F)nc21 ZINC000013007288 563875534 /nfs/dbraw/zinc/87/55/34/563875534.db2.gz GQFCKQRFTPMJFD-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN CC[C@H](C)[C@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000013007144 563875712 /nfs/dbraw/zinc/87/57/12/563875712.db2.gz ZBFICRVIOYLUIW-SJCJKPOMSA-N 0 0 303.352 4.733 50 0 DJAARN Cc1ccccc1C1=NC(=S)N(c2ccc(Cl)cc2)C1 ZINC000001786918 563878604 /nfs/dbraw/zinc/87/86/04/563878604.db2.gz VAPLNWKKYYBMHF-UHFFFAOYSA-N 0 0 300.814 4.790 50 0 DJAARN CCCCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 ZINC000001797540 563879262 /nfs/dbraw/zinc/87/92/62/563879262.db2.gz GGWZJHNJSANIDQ-UHFFFAOYSA-N 0 0 308.377 4.947 50 0 DJAARN CC1=C[C@@H](C)C2(COC([C@@H]3[C@H](C)CC(C)=C[C@@H]3C)OC2)[C@@H](C)C1 ZINC000239287502 563879638 /nfs/dbraw/zinc/87/96/38/563879638.db2.gz CXAHWQODSLYXFB-XYGAUDBPSA-N 0 0 318.501 5.206 50 0 DJAARN O=C(Oc1cccc(Cl)c1Cl)c1cc2ccccc2o1 ZINC000002637681 563882325 /nfs/dbraw/zinc/88/23/25/563882325.db2.gz IYWFOHFXBRRDNC-UHFFFAOYSA-N 0 0 307.132 4.959 50 0 DJAARN Cc1ccc(OCCCCSc2nc3ccccc3[nH]2)cc1 ZINC000001926977 563886393 /nfs/dbraw/zinc/88/63/93/563886393.db2.gz YDFCZDQPMHLTPB-UHFFFAOYSA-N 0 0 312.438 4.823 50 0 DJAARN CCCOc1ccc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc1 ZINC000002145231 563887174 /nfs/dbraw/zinc/88/71/74/563887174.db2.gz VPSAALLOESLLRF-UHFFFAOYSA-N 0 0 324.376 4.571 50 0 biogenic DJAARN CC1=C[C@H](C)C2(COC(CCc3ccccc3)OC2)[C@@H](C)C1 ZINC000001189424 563887369 /nfs/dbraw/zinc/88/73/69/563887369.db2.gz AJGPBQYWOGYCGN-BEEJXANESA-N 0 0 300.442 4.601 50 0 biogenic DJAARN CC(C)c1nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2o1 ZINC000064968230 563895325 /nfs/dbraw/zinc/89/53/25/563895325.db2.gz SFKDQVVMSYVEQQ-UHFFFAOYSA-N 0 0 314.772 4.857 50 0 DJAARN CCc1ccc(NC(=O)N2C[C@H](CC)Oc3ccc(C)cc32)cc1 ZINC000006843112 563896722 /nfs/dbraw/zinc/89/67/22/563896722.db2.gz MFRDLDLHDAVITJ-KRWDZBQOSA-N 0 0 324.424 4.767 50 0 DJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000006847945 563897012 /nfs/dbraw/zinc/89/70/12/563897012.db2.gz RVMXPPAPFISWNN-UHFFFAOYSA-N 0 0 309.390 4.557 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2ccccc2F)c2ccccc2S1 ZINC000006877052 563898014 /nfs/dbraw/zinc/89/80/14/563898014.db2.gz GHWAUIZFYKRCIS-LBPRGKRZSA-N 0 0 316.401 4.749 50 0 DJAARN COc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1F ZINC000036393976 563898374 /nfs/dbraw/zinc/89/83/74/563898374.db2.gz GSXPWADLRTXTDP-UHFFFAOYSA-N 0 0 321.351 4.754 50 0 DJAARN COc1cccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000006886490 563898830 /nfs/dbraw/zinc/89/88/30/563898830.db2.gz XLRFFTFAGGHDRN-UHFFFAOYSA-N 0 0 317.388 4.543 50 0 DJAARN Fc1ccc(-c2cnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000007004415 563900904 /nfs/dbraw/zinc/90/09/04/563900904.db2.gz LVVIKFMOCGSDQX-UHFFFAOYSA-N 0 0 303.720 4.713 50 0 DJAARN O=C(/C=C/c1ccccc1)OCCC12CC3CC(CC(C3)C1)C2 ZINC000006996137 563901027 /nfs/dbraw/zinc/90/10/27/563901027.db2.gz FCUCSWLAPHRVNP-VOTSOKGWSA-N 0 0 310.437 4.850 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000036620509 563901686 /nfs/dbraw/zinc/90/16/86/563901686.db2.gz AKPWVYVSGLTPPT-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN Cc1ncc([C@H](C)[NH+]2CCC(c3cccc(F)c3F)CC2)s1 ZINC000170602830 563907329 /nfs/dbraw/zinc/90/73/29/563907329.db2.gz ZWYYAFQIIDAJOC-NSHDSACASA-N 0 0 322.424 4.670 50 0 DJAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1F ZINC000009909682 563909032 /nfs/dbraw/zinc/90/90/32/563909032.db2.gz OUDAZVLPYKWPEV-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000071283110 563909117 /nfs/dbraw/zinc/90/91/17/563909117.db2.gz HBHHKGOGEJSCFK-NSHDSACASA-N 0 0 324.211 4.894 50 0 DJAARN C[C@H](NC(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000013329873 563909624 /nfs/dbraw/zinc/90/96/24/563909624.db2.gz VIFOUELDXSICRV-JTQLQIEISA-N 0 0 315.244 4.686 50 0 DJAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000013329610 563909664 /nfs/dbraw/zinc/90/96/64/563909664.db2.gz KSDLVTQPIDDSRM-MRXNPFEDSA-N 0 0 311.425 4.582 50 0 DJAARN CC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000005020000 563909763 /nfs/dbraw/zinc/90/97/63/563909763.db2.gz VRRHHTISESGZFN-GHRYLNIYSA-N 0 0 312.453 4.644 50 0 DJAARN Fc1ccc(NC(=S)Nc2cccc3ccccc32)cc1F ZINC000013787577 563910038 /nfs/dbraw/zinc/91/00/38/563910038.db2.gz JYFLCWDHGRAKNA-UHFFFAOYSA-N 0 0 314.360 4.927 50 0 DJAARN S=C(NCc1ccco1)Nc1ccccc1Oc1ccccc1 ZINC000013812398 563910056 /nfs/dbraw/zinc/91/00/56/563910056.db2.gz QDDFUSXZNZVUQX-UHFFFAOYSA-N 0 0 324.405 4.559 50 0 DJAARN S=c1sc2ccccc2n1CN1CCc2sccc2C1 ZINC000014309319 563910541 /nfs/dbraw/zinc/91/05/41/563910541.db2.gz RYVAHHCVJVPFDR-UHFFFAOYSA-N 0 0 318.492 4.510 50 0 DJAARN Cc1cc2nc(N[C@H](C)c3ccc(C)s3)c3ccccc3n2n1 ZINC000089656314 563910944 /nfs/dbraw/zinc/91/09/44/563910944.db2.gz WWBULOXORQTLRX-CYBMUJFWSA-N 0 0 322.437 4.734 50 0 DJAARN Fc1cccc(Nc2nnc(SCc3ccccc3)s2)c1 ZINC000007576917 563911531 /nfs/dbraw/zinc/91/15/31/563911531.db2.gz YZDXCQAWXQBIIZ-UHFFFAOYSA-N 0 0 317.414 4.713 50 0 DJAARN Brc1ccc(-c2ncc(-c3ccccc3)cn2)cc1 ZINC000000246876 563912696 /nfs/dbraw/zinc/91/26/96/563912696.db2.gz UVFIXGWTZRLWMV-UHFFFAOYSA-N 0 0 311.182 4.573 50 0 aggregator DJAARN CCCCCC[C@H]1C[C@H](Cc2c(C)[nH]c3ccccc32)C(=O)O1 ZINC000002097856 563913867 /nfs/dbraw/zinc/91/38/67/563913867.db2.gz NTEPIQBWTWYRGV-CVEARBPZSA-N 0 0 313.441 4.921 50 0 biogenic DJAARN COc1ccc(C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001570037 563915581 /nfs/dbraw/zinc/91/55/81/563915581.db2.gz YMLOKHXCNBRTMF-UHFFFAOYSA-N 0 0 302.373 4.710 50 0 DJAARN CCCCOCC[S@](=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000170643327 563915657 /nfs/dbraw/zinc/91/56/57/563915657.db2.gz DYWSEKPJMSFBLR-WYRIXSBYSA-N 0 0 323.285 4.620 50 0 DJAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2ccccc2C)C1(C)C ZINC000252477909 563915755 /nfs/dbraw/zinc/91/57/55/563915755.db2.gz XOQTVXHPOFSNEY-CEXWTWQISA-N 0 0 311.469 4.897 50 0 DJAARN COc1ccccc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C ZINC000007609906 563917182 /nfs/dbraw/zinc/91/71/82/563917182.db2.gz STOKBTRBIBUOFL-KRWDZBQOSA-N 0 0 317.816 4.727 50 0 DJAARN Cc1cc2nc(N[C@@H](C)c3ccc(F)cc3)c3ccccc3n2n1 ZINC000007779328 563919069 /nfs/dbraw/zinc/91/90/69/563919069.db2.gz 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563931866 /nfs/dbraw/zinc/93/18/66/563931866.db2.gz XPEGQVIXSYLPEU-UHFFFAOYSA-N 0 0 301.342 4.708 50 0 DJAARN CCC[C@@H]1c2cccn2CCN1C(=O)Nc1ccccc1Cl ZINC000021051139 563931977 /nfs/dbraw/zinc/93/19/77/563931977.db2.gz OLVPCQUPSNTXDW-MRXNPFEDSA-N 0 0 317.820 4.530 50 0 DJAARN Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)CC1CC1 ZINC000095948075 563932161 /nfs/dbraw/zinc/93/21/61/563932161.db2.gz RWXXGUTUKQRJHL-UHFFFAOYSA-N 0 0 306.475 4.759 50 0 DJAARN CC1=C(C(=O)Nc2ccccc2Oc2ccccc2)CCCO1 ZINC000095974981 563933732 /nfs/dbraw/zinc/93/37/32/563933732.db2.gz QBPRZBXJAYSQSQ-UHFFFAOYSA-N 0 0 309.365 4.502 50 0 DJAARN c1cc2cccc(-c3nc([C@@H]4CCCc5ccccc54)no3)c2[nH]1 ZINC000096009107 563934848 /nfs/dbraw/zinc/93/48/48/563934848.db2.gz FUPBUJYLYPWEGQ-MRXNPFEDSA-N 0 0 315.376 4.686 50 0 DJAARN Cc1cc(C)cc(-n2ccnc2S[C@H](C)c2nccs2)c1 ZINC000096010387 563934971 /nfs/dbraw/zinc/93/49/71/563934971.db2.gz ZXVFTQAGOJXCNP-CYBMUJFWSA-N 0 0 315.467 4.799 50 0 DJAARN COc1ccccc1O[P@](C)(=O)Nc1ccc(Cl)cc1 ZINC000000326150 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ZINC000095444064 185367079 /nfs/dbraw/zinc/36/70/79/185367079.db2.gz SYPCNBDYPPZGMI-WUXMJOGZSA-N 0 0 319.448 4.800 50 0 DJAARN CC(C)(O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 ZINC000095454286 185369812 /nfs/dbraw/zinc/36/98/12/185369812.db2.gz GJRFLTVCNSGQDV-UHFFFAOYSA-N 0 0 310.315 4.512 50 0 DJAARN CC(C)(c1nc(-c2ccc(O)cc2O)cs1)c1ccccc1 ZINC000095455746 185370070 /nfs/dbraw/zinc/37/00/70/185370070.db2.gz VIRVKVAQIGDQRV-UHFFFAOYSA-N 0 0 311.406 4.547 50 0 DJAARN O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1 ZINC000020428865 190646151 /nfs/dbraw/zinc/64/61/51/190646151.db2.gz NDKGACIWVAOUQH-UHFFFAOYSA-N 0 0 316.445 4.660 50 0 in-vitro DJAARN Cc1noc2c1[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102750857 185420213 /nfs/dbraw/zinc/42/02/13/185420213.db2.gz OHVNASXWQRSUEL-HNNXBMFYSA-N 0 0 314.410 4.895 50 0 DJAARN CC(C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000229880415 201854163 /nfs/dbraw/zinc/85/41/63/201854163.db2.gz NKUGDFKQHFZHIK-RRFJBIMHSA-N 0 0 319.411 4.640 50 0 DJAARN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343926 192149938 /nfs/dbraw/zinc/14/99/38/192149938.db2.gz LRTLXKOPBNXGPY-LSDHHAIUSA-N 0 0 324.182 4.875 50 0 DJAARN O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343929 192149965 /nfs/dbraw/zinc/14/99/65/192149965.db2.gz LRTLXKOPBNXGPY-GJZGRUSLSA-N 0 0 324.182 4.875 50 0 DJAARN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343920 192150309 /nfs/dbraw/zinc/15/03/09/192150309.db2.gz LRTLXKOPBNXGPY-HUUCEWRRSA-N 0 0 324.182 4.875 50 0 DJAARN Clc1ccc(-c2cnn3c2nccc3-c2ccsc2)cc1 ZINC000071385162 190965233 /nfs/dbraw/zinc/96/52/33/190965233.db2.gz HIJXYQZHJCDVCU-UHFFFAOYSA-N 0 0 311.797 4.778 50 0 DJAARN Clc1ccc(-c2cnn3c2nccc3-c2ccccc2)cc1 ZINC000071754866 191024648 /nfs/dbraw/zinc/02/46/48/191024648.db2.gz KXEGUOIOCDODGH-UHFFFAOYSA-N 0 0 305.768 4.717 50 0 DJAARN CC(/C=C/[C@@H](O)/C(C)=C/CC1=C(C)CCCC1(C)C)=C\CO ZINC000071769496 191030083 /nfs/dbraw/zinc/03/00/83/191030083.db2.gz FRMVBNPEOHCJAG-WWTNKRIKSA-N 0 0 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321.342 4.759 50 0 DJAARN Cc1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(C)o1 ZINC000000036464 180673649 /nfs/dbraw/zinc/67/36/49/180673649.db2.gz ZAQRMSLIQQNPJW-UHFFFAOYSA-N 0 0 307.349 4.941 50 0 DJAARN Cc1ccc(NCn2nc(-c3ccc(C)cc3)oc2=S)cc1 ZINC000000067164 180682344 /nfs/dbraw/zinc/68/23/44/180682344.db2.gz YWEYNZADPPOMQK-UHFFFAOYSA-N 0 0 311.410 4.559 50 0 DJAARN Cc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1C ZINC000000066717 180682398 /nfs/dbraw/zinc/68/23/98/180682398.db2.gz QMQCAYZNUOESDE-UHFFFAOYSA-N 0 0 324.405 4.899 50 0 DJAARN Cc1ccc(-c2nnc(N3CCCCCC3)c3ccccc32)cc1 ZINC000000038136 180674899 /nfs/dbraw/zinc/67/48/99/180674899.db2.gz VBWIYMDGYOGPQH-UHFFFAOYSA-N 0 0 317.436 4.986 50 0 DJAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1Cl ZINC000000041390 180675292 /nfs/dbraw/zinc/67/52/92/180675292.db2.gz HJHVXCXUGNXTQE-QPUJVOFHSA-N 0 0 318.631 4.870 50 0 DJAARN Fc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000000039029 180675357 /nfs/dbraw/zinc/67/53/57/180675357.db2.gz XPVACSAPTYZVCV-UHFFFAOYSA-N 0 0 309.127 4.850 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000000048923 180677788 /nfs/dbraw/zinc/67/77/88/180677788.db2.gz QNPRAGCTVLFKKV-QGZVFWFLSA-N 0 0 317.841 4.735 50 0 DJAARN CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OC)ccc32)cc1 ZINC000000090242 180689378 /nfs/dbraw/zinc/68/93/78/180689378.db2.gz INVUEMGRPBKGJR-UHFFFAOYSA-N 0 0 323.392 4.549 50 0 DJAARN COc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1 ZINC000000076429 180685356 /nfs/dbraw/zinc/68/53/56/180685356.db2.gz HKHRMMJPYPQBRZ-UHFFFAOYSA-N 0 0 323.417 4.527 50 0 DJAARN Cc1ccsc1/C=C/NC(=O)Nc1ccc(C(C)C)cc1 ZINC000000082931 180687150 /nfs/dbraw/zinc/68/71/50/180687150.db2.gz BWWQKOZOJQUVCR-CSKARUKUSA-N 0 0 300.427 4.972 50 0 DJAARN Cc1csc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000000082648 180687230 /nfs/dbraw/zinc/68/72/30/180687230.db2.gz KTKADWRBFDHZEC-UHFFFAOYSA-N 0 0 310.300 4.792 50 0 DJAARN Cc1nc2sc3c(c2c(N2CCCCCC2)n1)CC[C@H](C)C3 ZINC000000087582 180688081 /nfs/dbraw/zinc/68/80/81/180688081.db2.gz PFDQPLBWZUXAAI-LBPRGKRZSA-N 0 0 315.486 4.505 50 0 DJAARN c1ccc(OCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000000099381 180691829 /nfs/dbraw/zinc/69/18/29/180691829.db2.gz AWJFNEHHBCOHQW-UHFFFAOYSA-N 0 0 314.388 4.782 50 0 DJAARN CC(C)Sc1nc2[nH]c3c(c2c(SC(C)C)n1)CCCC3 ZINC000000098961 180691953 /nfs/dbraw/zinc/69/19/53/180691953.db2.gz NJRMUFAXLQMVKC-UHFFFAOYSA-N 0 0 321.515 4.838 50 0 DJAARN Cc1ccc(Oc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000000125877 180701048 /nfs/dbraw/zinc/70/10/48/180701048.db2.gz UJKXNGWQKZEBOS-UHFFFAOYSA-N 0 0 310.422 4.979 50 0 DJAARN CC(C)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000000128448 180702346 /nfs/dbraw/zinc/70/23/46/180702346.db2.gz OACHKXROVWSMDG-UHFFFAOYSA-N 0 0 311.425 4.951 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)c1c(C)cc(C)cc1C ZINC000000145299 180707766 /nfs/dbraw/zinc/70/77/66/180707766.db2.gz BGXGJGDKQCKPOB-UHFFFAOYSA-N 0 0 317.816 4.835 50 0 DJAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccco1 ZINC000000206252 180725391 /nfs/dbraw/zinc/72/53/91/180725391.db2.gz MUGDFAIHHORQBB-UHFFFAOYSA-N 0 0 318.332 4.649 50 0 DJAARN Cc1nc2sc(-c3ccccc3)c(-c3ccccc3)c2c(=O)o1 ZINC000000192479 180721196 /nfs/dbraw/zinc/72/11/96/180721196.db2.gz UASLMFLZBGEUTH-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000000195053 180721889 /nfs/dbraw/zinc/72/18/89/180721889.db2.gz SWPWJIJMLGHKAY-GOSISDBHSA-N 0 0 317.388 4.713 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000000259724 180740682 /nfs/dbraw/zinc/74/06/82/180740682.db2.gz OWWARDSTBDHWBU-UHFFFAOYSA-N 0 0 306.148 4.992 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000000292881 180749854 /nfs/dbraw/zinc/74/98/54/180749854.db2.gz XVJJVIKWFHLPKA-STQMWFEESA-N 0 0 306.192 4.736 50 0 DJAARN C[C@H](CC(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000000318770 180758571 /nfs/dbraw/zinc/75/85/71/180758571.db2.gz FPFSNAXKRVMDCC-GFCCVEGCSA-N 0 0 318.214 4.581 50 0 DJAARN CCc1ccccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000000372191 180769583 /nfs/dbraw/zinc/76/95/83/180769583.db2.gz SXVRHUMNZKYUOE-UHFFFAOYSA-N 0 0 308.208 4.737 50 0 DJAARN COc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000359001 180766256 /nfs/dbraw/zinc/76/62/56/180766256.db2.gz DPVQWHFSTWXDIJ-UHFFFAOYSA-N 0 0 318.781 4.783 50 0 DJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000000363311 180767009 /nfs/dbraw/zinc/76/70/09/180767009.db2.gz ZIEJQCSTIWHJJV-UHFFFAOYSA-N 0 0 311.425 4.753 50 0 DJAARN CC(C)=CCOc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000405977 180778152 /nfs/dbraw/zinc/77/81/52/180778152.db2.gz ABLWAGJMSKIPNA-UHFFFAOYSA-N 0 0 306.361 4.805 50 0 biogenic DJAARN O=C(Nc1nc2ccc(Cl)cc2s1)Nc1ccccc1 ZINC000000405669 180778196 /nfs/dbraw/zinc/77/81/96/180778196.db2.gz VIVVJCSDIGBZJW-UHFFFAOYSA-N 0 0 303.774 4.594 50 0 DJAARN O=C(Nc1ccc2ccccc2c1)N1CCS[C@H]1c1ccco1 ZINC000000429980 180788655 /nfs/dbraw/zinc/78/86/55/180788655.db2.gz FBPGUZCJIRXRCR-KRWDZBQOSA-N 0 0 324.405 4.712 50 0 DJAARN COc1ccc(OC)c(Nc2nc3cc(C)ccc3cc2C)c1 ZINC000000438912 180791021 /nfs/dbraw/zinc/79/10/21/180791021.db2.gz LVYNNDGLZPMAEB-UHFFFAOYSA-N 0 0 308.381 4.612 50 0 DJAARN Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000000441703 180791656 /nfs/dbraw/zinc/79/16/56/180791656.db2.gz PHADSNYAGMSCEH-VAWYXSNFSA-N 0 0 320.417 4.770 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1 ZINC000000441475 180792026 /nfs/dbraw/zinc/79/20/26/180792026.db2.gz YKXURFMCKHIUPC-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccc(-c2nnc(SCC(C)C)n2-c2ccccc2)cc1 ZINC000000422892 180784360 /nfs/dbraw/zinc/78/43/60/180784360.db2.gz UHPZPOZJSFSXQM-UHFFFAOYSA-N 0 0 323.465 4.991 50 0 DJAARN CCOc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1C ZINC000000457438 180796979 /nfs/dbraw/zinc/79/69/79/180796979.db2.gz GKTWFWVAFYCPGM-UHFFFAOYSA-N 0 0 314.768 4.821 50 0 DJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000000461678 180798724 /nfs/dbraw/zinc/79/87/24/180798724.db2.gz LKFLHDDVSIPRRA-CQSZACIVSA-N 0 0 317.816 4.671 50 0 DJAARN CCCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000444377 180792928 /nfs/dbraw/zinc/79/29/28/180792928.db2.gz MXOBRCNTMYUCLC-UHFFFAOYSA-N 0 0 314.772 4.887 50 0 DJAARN Cc1ccc(C)c(NC(=O)CSCc2ccccc2Cl)c1 ZINC000000444006 180792977 /nfs/dbraw/zinc/79/29/77/180792977.db2.gz RRRXSXYRFLWZQH-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN CCCC(=O)Nc1cccc(-c2nc3cc(CC)ccc3o2)c1 ZINC000000444396 180792994 /nfs/dbraw/zinc/79/29/94/180792994.db2.gz WYSWFTSVKRFAJQ-UHFFFAOYSA-N 0 0 308.381 4.796 50 0 DJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc2ccccc2o1 ZINC000000444339 180793408 /nfs/dbraw/zinc/79/34/08/180793408.db2.gz OJDMEODYWRZKDL-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN CSc1ccc(Cl)c(C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000000448310 180794504 /nfs/dbraw/zinc/79/45/04/180794504.db2.gz HVJMSAAEKJSITF-GFCCVEGCSA-N 0 0 319.857 4.595 50 0 DJAARN CC[C@H](C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000482856 180804573 /nfs/dbraw/zinc/80/45/73/180804573.db2.gz WAYJZKUYFHXJAE-ZDUSSCGKSA-N 0 0 321.376 4.559 50 0 DJAARN CCCN(CCC)C(=O)C[C@H](c1ccco1)c1ccc(C)cc1 ZINC000000552214 180819730 /nfs/dbraw/zinc/81/97/30/180819730.db2.gz BRYJKRVHLQXRQI-SFHVURJKSA-N 0 0 313.441 4.759 50 0 DJAARN Cc1ccc(SCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000555106 180820559 /nfs/dbraw/zinc/82/05/59/180820559.db2.gz UUAJTXWQFVSNBG-UHFFFAOYSA-N 0 0 323.820 4.908 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(Br)c1 ZINC000000580894 180825748 /nfs/dbraw/zinc/82/57/48/180825748.db2.gz AKJDICBSVTZXAZ-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN COc1ccc2cc([C@H](C)c3nc4ccccc4n3C)ccc2c1 ZINC000000561716 180822317 /nfs/dbraw/zinc/82/23/17/180822317.db2.gz ACRCBAHXOMVKJU-AWEZNQCLSA-N 0 0 316.404 4.887 50 0 DJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001002185 180840727 /nfs/dbraw/zinc/84/07/27/180840727.db2.gz DWUQHUKPKZFRHS-NSHDSACASA-N 0 0 324.207 4.708 50 0 DJAARN C[C@H]1CCc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000001002482 180840808 /nfs/dbraw/zinc/84/08/08/180840808.db2.gz DOWOHUTZPNVHFP-VIFPVBQESA-N 0 0 321.833 4.565 50 0 DJAARN Cc1ccc(-c2nn(CNc3ccccc3C)c(=S)o2)cc1 ZINC000001023728 180841862 /nfs/dbraw/zinc/84/18/62/180841862.db2.gz UMJZYUUIYYVFQE-UHFFFAOYSA-N 0 0 311.410 4.559 50 0 DJAARN Cc1cc(-c2ccccc2)nc(SCc2ccc(F)cc2)n1 ZINC000001050961 180842796 /nfs/dbraw/zinc/84/27/96/180842796.db2.gz PSRVBVLYQHSHTE-UHFFFAOYSA-N 0 0 310.397 4.883 50 0 DJAARN CC(C)[C@H](NC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000001071946 180845176 /nfs/dbraw/zinc/84/51/76/180845176.db2.gz NFGMPHHOEROFPM-FQEVSTJZSA-N 0 0 303.405 4.967 50 0 DJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001208443 180849365 /nfs/dbraw/zinc/84/93/65/180849365.db2.gz ILCANUXPTILMMD-UHFFFAOYSA-N 0 0 311.768 4.732 50 0 DJAARN CCc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCC2=O)cc1 ZINC000001233915 180850631 /nfs/dbraw/zinc/85/06/31/180850631.db2.gz AWOPOQBQEGLCQH-VQTJNVASSA-N 0 0 320.432 4.975 50 0 DJAARN Cc1c(NC(=O)c2ccco2)cccc1-c1nc2ccccc2o1 ZINC000001411751 180863016 /nfs/dbraw/zinc/86/30/16/180863016.db2.gz LYFSEFQGVQUFEZ-UHFFFAOYSA-N 0 0 318.332 4.649 50 0 DJAARN COc1ccc(-c2cc3cc(Br)ccc3[nH]2)cc1 ZINC000001517845 180871342 /nfs/dbraw/zinc/87/13/42/180871342.db2.gz DGIPPVLCMMJSRL-UHFFFAOYSA-N 0 0 302.171 4.606 50 0 DJAARN CCCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000001821681 180897591 /nfs/dbraw/zinc/89/75/91/180897591.db2.gz WLKFUPQMMVIFFQ-UHFFFAOYSA-N 0 0 308.377 4.947 50 0 biogenic DJAARN CCCOC(=O)[C@]12CC(C)=C(C)C[C@H]1CCCc1ccccc12 ZINC000002154239 180912946 /nfs/dbraw/zinc/91/29/46/180912946.db2.gz CLBCEBCGAWBHAK-WIYYLYMNSA-N 0 0 312.453 4.960 50 0 DJAARN CCCOc1cc(OCCC)c2c(C)c(CCC)c(=O)oc2c1 ZINC000002116458 180910665 /nfs/dbraw/zinc/91/06/65/180910665.db2.gz JVOOXJKSONLQJT-UHFFFAOYSA-N 0 0 318.413 4.632 50 0 biogenic DJAARN CCOc1ccccc1OCCCCCCc1c(C)n[nH]c1C ZINC000002484835 180926353 /nfs/dbraw/zinc/92/63/53/180926353.db2.gz QTWZYAMTEGFSJD-UHFFFAOYSA-N 0 0 316.445 4.607 50 0 DJAARN FC(F)(F)Oc1ccc2nc(C(F)(F)F)cc(Cl)c2c1 ZINC000002380515 180921555 /nfs/dbraw/zinc/92/15/55/180921555.db2.gz UXLVWJGHJDXMKP-UHFFFAOYSA-N 0 0 315.600 4.806 50 0 DJAARN Fc1cccc(Nc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000002501645 180928426 /nfs/dbraw/zinc/92/84/26/180928426.db2.gz JVAHHFVXFCPCDS-UHFFFAOYSA-N 0 0 316.339 4.575 50 0 DJAARN Cc1cc(C)cc(C(=O)CCc2cccc(Br)c2)c1 ZINC000002516718 180930681 /nfs/dbraw/zinc/93/06/81/180930681.db2.gz GYCGDXVBYJCOGC-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN Cc1c(C)c(C2=C[C@@H](c3[nH]c(C=O)c(C)c3C)CCC2)[nH]c1C=O ZINC000002519497 180931318 /nfs/dbraw/zinc/93/13/18/180931318.db2.gz MPIPZMGQMSXBQY-HNNXBMFYSA-N 0 0 324.424 4.553 50 0 DJAARN Cc1ccc2cccc(Oc3ccc(C(F)(F)F)cn3)c2n1 ZINC000002550031 180934378 /nfs/dbraw/zinc/93/43/78/180934378.db2.gz UCOJQTLQCYLIGN-UHFFFAOYSA-N 0 0 304.271 4.749 50 0 DJAARN Cc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)c(C)c1 ZINC000002637445 180942207 /nfs/dbraw/zinc/94/22/07/180942207.db2.gz SNYLWZJCUJZTQB-UHFFFAOYSA-N 0 0 316.404 4.593 50 0 DJAARN O=C(Nc1nc2c(s1)c(Cl)ccc2Cl)c1ccccc1 ZINC000002713878 180948459 /nfs/dbraw/zinc/94/84/59/180948459.db2.gz OVZASPWHEHVINH-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN CCCCOc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 ZINC000002751347 180952358 /nfs/dbraw/zinc/95/23/58/180952358.db2.gz FODJOUGCSYPRNX-UHFFFAOYSA-N 0 0 318.800 4.876 50 0 DJAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002785564 180956819 /nfs/dbraw/zinc/95/68/19/180956819.db2.gz MRMVJAIBJAZGLY-RYUDHWBXSA-N 0 0 315.726 4.505 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)s1 ZINC000002763832 180953528 /nfs/dbraw/zinc/95/35/28/180953528.db2.gz XVLRKOQBKNTTHW-UHFFFAOYSA-N 0 0 315.423 4.824 50 0 DJAARN CCc1ccc(OCCOc2cccc3ccc(C)nc32)cc1 ZINC000002824191 180961860 /nfs/dbraw/zinc/96/18/60/180961860.db2.gz QJJRFRYSJFRHTN-UHFFFAOYSA-N 0 0 307.393 4.563 50 0 DJAARN CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002838491 180962623 /nfs/dbraw/zinc/96/26/23/180962623.db2.gz YFKNYLRZPAHYHV-UHFFFAOYSA-N 0 0 319.857 4.772 50 0 DJAARN CCCC(=O)Nc1ccccc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000002843707 180962802 /nfs/dbraw/zinc/96/28/02/180962802.db2.gz FZQGFDXXGOSRBL-INIZCTEOSA-N 0 0 324.424 4.558 50 0 DJAARN Cc1ccccc1NC(=S)NCCCSC1CCCCC1 ZINC000002933357 180970624 /nfs/dbraw/zinc/97/06/24/180970624.db2.gz HIKNHJDZEOPACX-UHFFFAOYSA-N 0 0 322.543 4.737 50 0 DJAARN Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)oc(=O)c2c1 ZINC000002935195 180970958 /nfs/dbraw/zinc/97/09/58/180970958.db2.gz FIEVGGXBFCVOIA-UHFFFAOYSA-N 0 0 313.356 4.830 50 0 DJAARN Cc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000002959683 180972105 /nfs/dbraw/zinc/97/21/05/180972105.db2.gz BMZASBICGPNEDV-UHFFFAOYSA-N 0 0 305.830 4.769 50 0 DJAARN Cc1cccc(OCc2nc(-c3ccccc3Cl)no2)c1C ZINC000002862629 180964847 /nfs/dbraw/zinc/96/48/47/180964847.db2.gz HNOAOBPJNOMTQG-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN Clc1ccccc1OCCCOc1cccc2cccnc21 ZINC000002983759 180973344 /nfs/dbraw/zinc/97/33/44/180973344.db2.gz GAPNYTPDAZTVKD-UHFFFAOYSA-N 0 0 313.784 4.736 50 0 DJAARN CCCCC(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000002973159 180973635 /nfs/dbraw/zinc/97/36/35/180973635.db2.gz LBQCYMIDKKPYHK-UHFFFAOYSA-N 0 0 308.381 4.932 50 0 DJAARN CC(C)CCC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002991732 180975375 /nfs/dbraw/zinc/97/53/75/180975375.db2.gz YVWDFVYPCVRMEG-NSHDSACASA-N 0 0 302.245 4.938 50 0 DJAARN CCOc1ccc(OCCCCOc2cccc(Cl)c2)cc1 ZINC000002991189 180975544 /nfs/dbraw/zinc/97/55/44/180975544.db2.gz WPFPCSBUDSCAHJ-UHFFFAOYSA-N 0 0 320.816 4.977 50 0 DJAARN CCCCC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000003012227 180976407 /nfs/dbraw/zinc/97/64/07/180976407.db2.gz QGFHOJICIHTDPM-UHFFFAOYSA-N 0 0 316.784 4.932 50 0 DJAARN C/C=C/C=C/C(=O)Nc1cccc(C(=O)c2ccc(C)c(C)c2)c1 ZINC000003141054 180984810 /nfs/dbraw/zinc/98/48/10/180984810.db2.gz STZPNDQCQBFHNF-UMCKCUICSA-N 0 0 319.404 4.605 50 0 DJAARN O=C(OCc1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000003200453 180991000 /nfs/dbraw/zinc/99/10/00/180991000.db2.gz IIRFTPBVDJPZHI-UHFFFAOYSA-N 0 0 319.385 4.807 50 0 DJAARN COc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1 ZINC000003213750 180992289 /nfs/dbraw/zinc/99/22/89/180992289.db2.gz XHGIXXGMPBRHQC-UHFFFAOYSA-N 0 0 318.376 4.691 50 0 DJAARN Cc1cc(C)n(CCc2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000003253404 180996751 /nfs/dbraw/zinc/99/67/51/180996751.db2.gz CLSXHHPEZRSHBB-UHFFFAOYSA-N 0 0 317.845 4.520 50 0 DJAARN COc1ccccc1CNc1nc(-c2ccc(C)cc2)cs1 ZINC000003317367 181004291 /nfs/dbraw/zinc/00/42/91/181004291.db2.gz GENMYJAHHBAALH-UHFFFAOYSA-N 0 0 310.422 4.739 50 0 DJAARN c1cc2c(ncnc2NC(c2ccccc2)c2ccccc2)s1 ZINC000003285231 181000181 /nfs/dbraw/zinc/00/01/81/181000181.db2.gz LEJNYPJJOQXKQH-UHFFFAOYSA-N 0 0 317.417 4.893 50 0 DJAARN CCC(=O)c1ccc(Oc2ncnc3sc4c(c32)CCC4)cc1 ZINC000003285536 181000339 /nfs/dbraw/zinc/00/03/39/181000339.db2.gz OGGSWVJZPIGFPC-UHFFFAOYSA-N 0 0 324.405 4.565 50 0 DJAARN Clc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000003290195 181000865 /nfs/dbraw/zinc/00/08/65/181000865.db2.gz JNVOFABVUNGRAL-UHFFFAOYSA-N 0 0 321.163 4.622 50 0 DJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000003299219 181002013 /nfs/dbraw/zinc/00/20/13/181002013.db2.gz JIRVQGFNOVXFFH-SNVBAGLBSA-N 0 0 306.192 4.585 50 0 DJAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000003299217 181002037 /nfs/dbraw/zinc/00/20/37/181002037.db2.gz JIRVQGFNOVXFFH-JTQLQIEISA-N 0 0 306.192 4.585 50 0 DJAARN CCc1cccc(C)c1NC(=O)CNc1cccc2ccccc21 ZINC000003305029 181002377 /nfs/dbraw/zinc/00/23/77/181002377.db2.gz YFLDCKVTAOEDQD-UHFFFAOYSA-N 0 0 318.420 4.761 50 0 DJAARN Cc1cc(Nc2ccc(F)cc2)n(-c2nc3ccccc3s2)n1 ZINC000003306105 181002961 /nfs/dbraw/zinc/00/29/61/181002961.db2.gz UIUVIEHJADVNSB-UHFFFAOYSA-N 0 0 324.384 4.673 50 0 DJAARN O=C(Cc1ccsc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003370087 181012368 /nfs/dbraw/zinc/01/23/68/181012368.db2.gz XRBSRXBREONSLB-UHFFFAOYSA-N 0 0 309.390 4.722 50 0 DJAARN Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000003382475 181013606 /nfs/dbraw/zinc/01/36/06/181013606.db2.gz TUHVWIWVTMOCEI-NSHDSACASA-N 0 0 324.207 4.708 50 0 DJAARN Cc1ccsc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000003333455 181006556 /nfs/dbraw/zinc/00/65/56/181006556.db2.gz WYBJPDBWYUCJNQ-SECBINFHSA-N 0 0 314.237 4.854 50 0 DJAARN CC(C)(C)c1ccccc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000003332500 181006639 /nfs/dbraw/zinc/00/66/39/181006639.db2.gz RJZNQPTYKTYKNI-UHFFFAOYSA-N 0 0 319.351 4.838 50 0 DJAARN Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000003335472 181007701 /nfs/dbraw/zinc/00/77/01/181007701.db2.gz DTKMJNXKFGOKHR-UHFFFAOYSA-N 0 0 307.418 4.576 50 0 DJAARN CSc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003345890 181009328 /nfs/dbraw/zinc/00/93/28/181009328.db2.gz NAOGIUGINNMHCV-UHFFFAOYSA-N 0 0 311.328 4.680 50 0 DJAARN Cc1ccc(OCCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003410955 181016507 /nfs/dbraw/zinc/01/65/07/181016507.db2.gz NLKWLKKJCOBZEO-UHFFFAOYSA-N 0 0 305.377 4.556 50 0 DJAARN CCCCOc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000003428192 181018167 /nfs/dbraw/zinc/01/81/67/181018167.db2.gz OUBKHNMOKRLCBO-FQEVSTJZSA-N 0 0 323.436 4.673 50 0 DJAARN Cc1cccc(C(=O)NCCc2ccc(Cl)cc2Cl)c1C ZINC000003428131 181018242 /nfs/dbraw/zinc/01/82/42/181018242.db2.gz BTANPIRWELLSQJ-UHFFFAOYSA-N 0 0 322.235 4.583 50 0 DJAARN CSc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000003428111 181018338 /nfs/dbraw/zinc/01/83/38/181018338.db2.gz ZWFOETCAXOQELF-UHFFFAOYSA-N 0 0 311.328 4.680 50 0 DJAARN C[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1Cl ZINC000003435525 181019596 /nfs/dbraw/zinc/01/95/96/181019596.db2.gz IJJKZAAJCZGWRE-LBPRGKRZSA-N 0 0 311.768 4.806 50 0 DJAARN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000003449465 181021682 /nfs/dbraw/zinc/02/16/82/181021682.db2.gz JXJQTVSYJBRNQD-VIFPVBQESA-N 0 0 312.171 4.624 50 0 DJAARN CSc1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1 ZINC000003528481 181030664 /nfs/dbraw/zinc/03/06/64/181030664.db2.gz DQLROHLRJOLLKE-UHFFFAOYSA-N 0 0 311.406 4.644 50 0 DJAARN CCOc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000003476687 181024719 /nfs/dbraw/zinc/02/47/19/181024719.db2.gz XLSBOCXTDRRRGW-UHFFFAOYSA-N 0 0 303.446 4.876 50 0 DJAARN COc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003481821 181025323 /nfs/dbraw/zinc/02/53/23/181025323.db2.gz VNTJFASJKKGTDN-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN CC(=O)c1c(C)[nH]c(-c2csc(Nc3ccccc3)n2)c1C ZINC000003547658 181032741 /nfs/dbraw/zinc/03/27/41/181032741.db2.gz CHKSLLZLERVDTN-UHFFFAOYSA-N 0 0 311.410 4.701 50 0 DJAARN Cc1csc(N(C(=O)c2cccc(F)c2)c2ccccc2)n1 ZINC000003554679 181033843 /nfs/dbraw/zinc/03/38/43/181033843.db2.gz KVAWRJZJMDOQLY-UHFFFAOYSA-N 0 0 312.369 4.569 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000003553907 181033860 /nfs/dbraw/zinc/03/38/60/181033860.db2.gz PTQFOESMZWAXGS-UHFFFAOYSA-N 0 0 303.789 4.688 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2C)c2ccccc2n1 ZINC000003554044 181034107 /nfs/dbraw/zinc/03/41/07/181034107.db2.gz VTNGJFSAOXWZHK-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000003561415 181034717 /nfs/dbraw/zinc/03/47/17/181034717.db2.gz BTHAQGRABKZROW-UHFFFAOYSA-N 0 0 307.315 4.654 50 0 DJAARN O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000003562449 181035260 /nfs/dbraw/zinc/03/52/60/181035260.db2.gz NSSAELDPPNTIPN-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN Cc1ccc([C@H]2CCN(C(=S)Nc3cc(C)ccc3C)C2)cc1 ZINC000003588613 181037912 /nfs/dbraw/zinc/03/79/12/181037912.db2.gz MNTMXFMRVZSOMD-SFHVURJKSA-N 0 0 324.493 4.798 50 0 DJAARN CCCCc1ccc(NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000003628148 181042987 /nfs/dbraw/zinc/04/29/87/181042987.db2.gz OUQNMLIEQQZELJ-UHFFFAOYSA-N 0 0 321.424 5.000 50 0 DJAARN COc1cc2c(cc1NC(=O)c1cccs1)oc1ccccc12 ZINC000003642214 181043418 /nfs/dbraw/zinc/04/34/18/181043418.db2.gz GICDNZJNLBPVBH-UHFFFAOYSA-N 0 0 323.373 4.908 50 0 DJAARN CCCCCn1c2ccccc2nc1NCc1ccccc1OC ZINC000003656454 181044069 /nfs/dbraw/zinc/04/40/69/181044069.db2.gz IBPSAZIRVZJYLH-UHFFFAOYSA-N 0 0 323.440 4.847 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCOc1ccc(Cl)c(C)c1 ZINC000003667870 181044466 /nfs/dbraw/zinc/04/44/66/181044466.db2.gz GFUYEIWIPMHUKU-UHFFFAOYSA-N 0 0 306.837 4.780 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000003608269 181040037 /nfs/dbraw/zinc/04/00/37/181040037.db2.gz LPPDLDXFZLGPRY-UHFFFAOYSA-N 0 0 312.800 4.701 50 0 DJAARN N=C1c2ccccc2CN1c1cccc(Oc2ccccc2)c1 ZINC000003885546 181052180 /nfs/dbraw/zinc/05/21/80/181052180.db2.gz RRMKATKXVYKVNF-UHFFFAOYSA-N 0 0 300.361 4.824 50 0 DJAARN Cc1cccc(C)c1Nc1c(-c2cccs2)nc2cnccn21 ZINC000003896541 181053524 /nfs/dbraw/zinc/05/35/24/181053524.db2.gz AULPTDOEUXQAHA-UHFFFAOYSA-N 0 0 320.421 4.818 50 0 DJAARN CCCCNC(=O)c1cc(-c2ccccc2)nc2c(C)cccc12 ZINC000003898793 181054295 /nfs/dbraw/zinc/05/42/95/181054295.db2.gz CIQZDONBYUMECM-UHFFFAOYSA-N 0 0 318.420 4.740 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccs2)on1 ZINC000003908474 181056572 /nfs/dbraw/zinc/05/65/72/181056572.db2.gz PGWDVQRTRIAAIS-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 aggregator DJAARN CSc1nccn1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000004024059 181063817 /nfs/dbraw/zinc/06/38/17/181063817.db2.gz VJMANNGBHKPNRG-UHFFFAOYSA-N 0 0 317.241 4.688 50 0 DJAARN FC(F)(F)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 ZINC000004051439 181066652 /nfs/dbraw/zinc/06/66/52/181066652.db2.gz CMNAUTORQWOCSR-UHFFFAOYSA-N 0 0 306.209 4.863 50 0 DJAARN COc1ccccc1N[C@H](C)CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C ZINC000003999259 181060496 /nfs/dbraw/zinc/06/04/96/181060496.db2.gz NWPFUGLRWBMGIL-QMTMVMCOSA-N 0 0 315.457 4.693 50 0 biogenic DJAARN O=C(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000004005882 181061200 /nfs/dbraw/zinc/06/12/00/181061200.db2.gz GFWSZXULGGXLHW-UHFFFAOYSA-N 0 0 319.379 4.668 50 0 DJAARN Cc1nc2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2s1 ZINC000004088331 181071435 /nfs/dbraw/zinc/07/14/35/181071435.db2.gz GXKOKLQKYVOUSP-UHFFFAOYSA-N 0 0 322.433 4.736 50 0 DJAARN CC(C)(C)c1ccc(COc2ncnc3cccc(F)c32)cc1 ZINC000004109918 181074779 /nfs/dbraw/zinc/07/47/79/181074779.db2.gz PVNMKQJWZMNLIG-UHFFFAOYSA-N 0 0 310.372 4.645 50 0 DJAARN O=C(Nc1ccc(F)cc1)C1c2ccccc2-c2ccccc21 ZINC000004107006 181073950 /nfs/dbraw/zinc/07/39/50/181073950.db2.gz YJWFOVMRVYSYIU-UHFFFAOYSA-N 0 0 303.336 4.577 50 0 DJAARN Fc1cccc(CSc2ncnc3c4ccccc4oc32)c1 ZINC000004106814 181074052 /nfs/dbraw/zinc/07/40/52/181074052.db2.gz JNOVSMUYAXWARW-UHFFFAOYSA-N 0 0 310.353 4.807 50 0 DJAARN O=C(COc1ccc(-c2ccccc2)cc1)OC1CCCCC1 ZINC000004056195 181067196 /nfs/dbraw/zinc/06/71/96/181067196.db2.gz AJHFZFMOXCENSU-UHFFFAOYSA-N 0 0 310.393 4.608 50 0 DJAARN O[C@H]1c2ccccc2OC/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000004060880 181067788 /nfs/dbraw/zinc/06/77/88/181067788.db2.gz DUQAGDYANRZHJS-AYAUWGRQSA-N 0 0 307.176 4.503 50 0 DJAARN CC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000004173478 181081711 /nfs/dbraw/zinc/08/17/11/181081711.db2.gz UXUBZXKQXUGYCB-UHFFFAOYSA-N 0 0 314.193 4.510 50 0 DJAARN CCONC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004181497 181082440 /nfs/dbraw/zinc/08/24/40/181082440.db2.gz XKPYPNPNFAHJKF-UHFFFAOYSA-N 0 0 303.405 4.520 50 0 DJAARN CCCC[C@@H](CC)C(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000004123832 181076623 /nfs/dbraw/zinc/07/66/23/181076623.db2.gz VQMXUUAJYSOUIC-CQSZACIVSA-N 0 0 314.473 4.604 50 0 DJAARN Cc1ccc2c(c1)SCc1ccccc1[C@]2(O)c1ccccc1 ZINC000004128477 181077069 /nfs/dbraw/zinc/07/70/69/181077069.db2.gz WRLOSNNRDOBKER-OAQYLSRUSA-N 0 0 318.441 4.885 50 0 DJAARN c1ccc(C2=NN(c3ccccc3)[C@@H]3c4ccccc4C[C@@H]23)cc1 ZINC000004146902 181079001 /nfs/dbraw/zinc/07/90/01/181079001.db2.gz BMPYNJMSUJGDCT-RBBKRZOGSA-N 0 0 310.400 4.825 50 0 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COCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000004385635 181104665 /nfs/dbraw/zinc/10/46/65/181104665.db2.gz MHNYQBXEDUEWPJ-UHFFFAOYSA-N 0 0 321.207 4.538 50 0 DJAARN Cc1cccc(Oc2ccc(NC(=O)c3ccco3)cc2)c1C ZINC000004525794 181120187 /nfs/dbraw/zinc/12/01/87/181120187.db2.gz HSJVMHGFESPHSE-UHFFFAOYSA-N 0 0 307.349 4.941 50 0 DJAARN CC(C)COc1cccc(C(=O)Nc2ccccc2Cl)c1 ZINC000004543594 181122519 /nfs/dbraw/zinc/12/25/19/181122519.db2.gz LONLORXWIKKOFJ-UHFFFAOYSA-N 0 0 303.789 4.627 50 0 DJAARN Clc1ccccc1Nc1ncnc2sc3c(c21)CCC3 ZINC000004473226 181111434 /nfs/dbraw/zinc/11/14/34/181111434.db2.gz CBNNSJCAKLCTIO-UHFFFAOYSA-N 0 0 301.802 4.577 50 0 DJAARN CSc1cccc(C(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000004517477 181118677 /nfs/dbraw/zinc/11/86/77/181118677.db2.gz FBUYGTBRWOXONC-UHFFFAOYSA-N 0 0 314.435 4.579 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCOc1ccc(C)cc1Cl ZINC000004568318 181125275 /nfs/dbraw/zinc/12/52/75/181125275.db2.gz CFLNGRBGFIXKJH-UHFFFAOYSA-N 0 0 306.837 4.780 50 0 DJAARN Cc1ccc(N2N=C(c3cccnc3)C[C@@H]2c2ccccc2)cc1 ZINC000004566934 181125556 /nfs/dbraw/zinc/12/55/56/181125556.db2.gz XYWTYZUVLOUZGT-OAQYLSRUSA-N 0 0 313.404 4.746 50 0 DJAARN O=C1N[C@@H](/C=C/c2ccco2)Nc2scc(-c3ccccc3)c21 ZINC000004571805 181126126 /nfs/dbraw/zinc/12/61/26/181126126.db2.gz NISUDNZJUSBUBB-XVJNWHFHSA-N 0 0 322.389 4.778 50 0 DJAARN O=C(Nc1cccnc1Cl)C(c1ccccc1)c1ccccc1 ZINC000004577070 181126746 /nfs/dbraw/zinc/12/67/46/181126746.db2.gz JPVTUNPPUNLQAQ-UHFFFAOYSA-N 0 0 322.795 4.506 50 0 DJAARN CCOc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 ZINC000004586219 181127194 /nfs/dbraw/zinc/12/71/94/181127194.db2.gz OBIPLHWXAFCVHS-UHFFFAOYSA-N 0 0 306.317 4.605 50 0 DJAARN CCCCc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1 ZINC000004589424 181127839 /nfs/dbraw/zinc/12/78/39/181127839.db2.gz AGUZWMZJDNFBAI-AQTBWJFISA-N 0 0 323.367 4.513 50 0 DJAARN CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004660752 181133672 /nfs/dbraw/zinc/13/36/72/181133672.db2.gz XHLFJIJKSHCBFO-LBPRGKRZSA-N 0 0 323.845 4.654 50 0 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C/C(=C/c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004680320 181135931 /nfs/dbraw/zinc/13/59/31/181135931.db2.gz OECOHTLTOQUBNW-OWBHPGMISA-N 0 0 320.417 4.852 50 0 DJAARN Cc1ccc(Nc2nc(-c3cccnc3)cs2)cc1Cl ZINC000004688515 181137135 /nfs/dbraw/zinc/13/71/35/181137135.db2.gz YPLWUKPYCZUFLT-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN FC(F)(F)c1ccccc1Nc1nc(-c2ccncc2)cs1 ZINC000004688519 181137214 /nfs/dbraw/zinc/13/72/14/181137214.db2.gz SCLWQFGBWRCUOW-UHFFFAOYSA-N 0 0 321.327 4.968 50 0 DJAARN CCOC(=O)c1ccc(Nc2cc(C)c3cccc(C)c3n2)cc1 ZINC000004711176 181141227 /nfs/dbraw/zinc/14/12/27/181141227.db2.gz MDYIHWOLHYLDAK-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN Cc1ccc2c(cc(C(=O)Nc3ccc(C(C)C)cc3)n2C)c1 ZINC000004711990 181141242 /nfs/dbraw/zinc/14/12/42/181141242.db2.gz PNQQMWJXLXUOKO-UHFFFAOYSA-N 0 0 306.409 4.862 50 0 DJAARN Cc1csc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1 ZINC000004738947 181144764 /nfs/dbraw/zinc/14/47/64/181144764.db2.gz JTRUVLYRTZKJSV-SFQUDFHCSA-N 0 0 320.417 4.631 50 0 DJAARN Cc1scc(C(=O)N[C@@H](C)C(C)(C)C)c1-c1ccccc1 ZINC000004750215 181147648 /nfs/dbraw/zinc/14/76/48/181147648.db2.gz HRUKRKCDLZPLAP-ZDUSSCGKSA-N 0 0 301.455 4.888 50 0 DJAARN OC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2n1 ZINC000004773032 181150456 /nfs/dbraw/zinc/15/04/56/181150456.db2.gz MSEVIABBGAUNIM-UHFFFAOYSA-N 0 0 311.384 4.519 50 0 DJAARN O=C1c2ccccc2C(Cl)(c2ccccc2)c2ccccc21 ZINC000004794196 181152433 /nfs/dbraw/zinc/15/24/33/181152433.db2.gz AKVMLMOHNFTOIG-UHFFFAOYSA-N 0 0 304.776 4.762 50 0 DJAARN CCC(CC)C(=O)Nc1cccc(-c2cn3ccc(C)cc3n2)c1 ZINC000004809743 181154569 /nfs/dbraw/zinc/15/45/69/181154569.db2.gz AGAICCMWMYRAJO-UHFFFAOYSA-N 0 0 321.424 4.684 50 0 DJAARN Cc1c(O[C@@H](C)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000004833443 181159264 /nfs/dbraw/zinc/15/92/64/181159264.db2.gz FLOLAUOWUQEXKY-AWEZNQCLSA-N 0 0 320.388 4.730 50 0 DJAARN Cc1cc(NCc2cccs2)ccc1NC(=O)c1ccco1 ZINC000004842354 181161507 /nfs/dbraw/zinc/16/15/07/181161507.db2.gz LREVOAIBAWGXKY-UHFFFAOYSA-N 0 0 312.394 4.514 50 0 DJAARN CC1(C)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004854006 181163436 /nfs/dbraw/zinc/16/34/36/181163436.db2.gz KXBDFVCFEWOJCY-MRXNPFEDSA-N 0 0 312.800 4.620 50 0 DJAARN Cc1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000004853019 181163438 /nfs/dbraw/zinc/16/34/38/181163438.db2.gz AETDFUVSUGTIED-UHFFFAOYSA-N 0 0 305.377 4.826 50 0 DJAARN CC/C(=C\c1ccc(-c2ccc(Br)cc2)o1)[N+](=O)[O-] ZINC000004865661 181165266 /nfs/dbraw/zinc/16/52/66/181165266.db2.gz RJRZUAIIMWKDGQ-FMIVXFBMSA-N 0 0 322.158 4.737 50 0 DJAARN Cc1ccc(C(=O)N(c2ccccn2)[C@@H](C)c2ccco2)cc1C ZINC000004869247 181166415 /nfs/dbraw/zinc/16/64/15/181166415.db2.gz ISBMNVZQCTVDLU-INIZCTEOSA-N 0 0 320.392 4.699 50 0 DJAARN CC[C@@H](O)c1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000004911223 181172437 /nfs/dbraw/zinc/17/24/37/181172437.db2.gz QJUXWJWGFMFWMV-HXUWFJFHSA-N 0 0 316.404 4.681 50 0 DJAARN CC[C@H](O)c1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000004911219 181172487 /nfs/dbraw/zinc/17/24/87/181172487.db2.gz QJUXWJWGFMFWMV-FQEVSTJZSA-N 0 0 316.404 4.681 50 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DJAARN COc1ccc(Cl)cc1Nc1nc(-c2ccccn2)cs1 ZINC000005015026 181190765 /nfs/dbraw/zinc/19/07/65/181190765.db2.gz CVPYYVADQBAPRU-UHFFFAOYSA-N 0 0 317.801 4.611 50 0 DJAARN CCn1c(C(=O)N[C@@H]2CCCC[C@H]2C)cc2sc(Cl)cc21 ZINC000005036624 181194467 /nfs/dbraw/zinc/19/44/67/181194467.db2.gz XBULHRAILFVUJT-GHMZBOCLSA-N 0 0 324.877 4.685 50 0 DJAARN CCOc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000005032586 181193721 /nfs/dbraw/zinc/19/37/21/181193721.db2.gz YBDOASLKTZZSEO-UHFFFAOYSA-N 0 0 309.365 4.701 50 0 DJAARN CCCCOc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 ZINC000005072174 181201281 /nfs/dbraw/zinc/20/12/81/181201281.db2.gz JLQHXHVYEGNYDE-UHFFFAOYSA-N 0 0 300.789 4.834 50 0 DJAARN Fc1cccc(Cl)c1Cc1noc(/C=C/c2ccccc2)n1 ZINC000005101949 181203810 /nfs/dbraw/zinc/20/38/10/181203810.db2.gz FEGUQXZFXFANOW-MDZDMXLPSA-N 0 0 314.747 4.623 50 0 DJAARN Clc1ccccc1Cc1noc(-c2ccccc2Cl)n1 ZINC000005102089 181203824 /nfs/dbraw/zinc/20/38/24/181203824.db2.gz PNOBLOVUBKVVJD-UHFFFAOYSA-N 0 0 305.164 4.634 50 0 DJAARN 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Cc1ccc2c(c1)/C(=C\c1ccc3c(c1)OCO3)c1cccnc1-2 ZINC000005784401 181283591 /nfs/dbraw/zinc/28/35/91/181283591.db2.gz GWRLNUQLATUCDS-ZDLGFXPLSA-N 0 0 313.356 4.688 50 0 DJAARN CCCCc1nc2sc3c([nH]cnc3=S)c2c2c1CCC2 ZINC000005808092 181285829 /nfs/dbraw/zinc/28/58/29/181285829.db2.gz IFTPVPQREYZRGX-UHFFFAOYSA-N 0 0 315.467 4.733 50 0 DJAARN CC(C)c1nc2sc3c([nH]cnc3=S)c2c2c1CCCC2 ZINC000005822554 181286752 /nfs/dbraw/zinc/28/67/52/181286752.db2.gz LHKGFCZMTYYXCM-UHFFFAOYSA-N 0 0 315.467 4.904 50 0 DJAARN O=C(Nc1cccc2c1CCCC2)NC12CC3CC(CC(C3)C1)C2 ZINC000005897113 181294324 /nfs/dbraw/zinc/29/43/24/181294324.db2.gz JULANUGYJPEDGS-UHFFFAOYSA-N 0 0 324.468 4.656 50 0 DJAARN CCOc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000005906994 181295095 /nfs/dbraw/zinc/29/50/95/181295095.db2.gz MIXBUFHWFPLEMK-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN CCCc1nc2c(c3c4ccccc4[nH]c31)C(=O)CC(C)(C)C2 ZINC000005904219 181295164 /nfs/dbraw/zinc/29/51/64/181295164.db2.gz BZCZAKLDKYCVQO-UHFFFAOYSA-N 0 0 306.409 4.824 50 0 biogenic DJAARN Cc1sc(N)c(C(=O)OC(C)C)c1-c1ccc(C(C)C)cc1 ZINC000005921293 181296554 /nfs/dbraw/zinc/29/65/54/181296554.db2.gz GNMNGXLUBKTWSV-UHFFFAOYSA-N 0 0 317.454 4.994 50 0 DJAARN Cc1cc(C(=O)COc2ccccc2-c2ccccc2)c(C)n1C ZINC000005936210 181298076 /nfs/dbraw/zinc/29/80/76/181298076.db2.gz OJFMXTYKBBKHNB-UHFFFAOYSA-N 0 0 319.404 4.571 50 0 DJAARN CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC(OC)=CC4 ZINC000005955124 181300570 /nfs/dbraw/zinc/30/05/70/181300570.db2.gz PQMRKLSVUBRLLQ-XSYGEPLQSA-N 0 0 300.442 4.803 50 0 DJAARN CN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1 ZINC000006085097 181311628 /nfs/dbraw/zinc/31/16/28/181311628.db2.gz ZOBANEVLWWYPNC-UHFFFAOYSA-N 0 0 301.389 4.626 50 0 DJAARN C[C@@H]1CCCC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000006183157 181317590 /nfs/dbraw/zinc/31/75/90/181317590.db2.gz RMZNOEVUDYPOSF-APWZRJJASA-N 0 0 307.437 4.513 50 0 DJAARN CC(C)c1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000006217298 181320457 /nfs/dbraw/zinc/32/04/57/181320457.db2.gz TUKIKZYCBUCTCJ-UHFFFAOYSA-N 0 0 321.779 4.620 50 0 DJAARN Cc1ccc(Cl)c(OC(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000006236637 181321717 /nfs/dbraw/zinc/32/17/17/181321717.db2.gz IGSADCODPCWILD-UHFFFAOYSA-N 0 0 316.571 4.569 50 0 DJAARN C/C(=C\c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000006279460 181325574 /nfs/dbraw/zinc/32/55/74/181325574.db2.gz PMHRNTRZPHVMPU-VAWYXSNFSA-N 0 0 321.298 4.627 50 0 DJAARN COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000006270085 181324919 /nfs/dbraw/zinc/32/49/19/181324919.db2.gz JIQFAKZBTXOAJL-UHFFFAOYSA-N 0 0 317.388 4.543 50 0 DJAARN Cc1ccc(/C=C/c2nc(Cc3ccccc3Cl)no2)cc1 ZINC000006283748 181325885 /nfs/dbraw/zinc/32/58/85/181325885.db2.gz KACPTHHCFIMERG-ZHACJKMWSA-N 0 0 310.784 4.793 50 0 DJAARN CC[C@@H](C)Sc1ccc(NCc2nnc(C3CC3)o2)c(C)c1 ZINC000089942340 192916306 /nfs/dbraw/zinc/91/63/06/192916306.db2.gz AOCDJXJLPYMZND-GFCCVEGCSA-N 0 0 317.458 4.758 50 0 DJAARN CCOc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000006340990 181332165 /nfs/dbraw/zinc/33/21/65/181332165.db2.gz NYUMBRHRVMGISA-UHFFFAOYSA-N 0 0 315.438 4.668 50 0 DJAARN Cc1ccc(C)c(OCCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000006388569 181336544 /nfs/dbraw/zinc/33/65/44/181336544.db2.gz MIKMTAIITBJUCM-UHFFFAOYSA-N 0 0 321.779 4.504 50 0 DJAARN C[C@@H]1CCCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000006509554 181347837 /nfs/dbraw/zinc/34/78/37/181347837.db2.gz CLCAFZCRGXAWQY-CQSZACIVSA-N 0 0 307.393 4.530 50 0 DJAARN CCc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 ZINC000006519221 181348552 /nfs/dbraw/zinc/34/85/52/181348552.db2.gz BQCHTVLZLBXMFN-GOSISDBHSA-N 0 0 310.466 4.613 50 0 DJAARN Cc1cccc(N2C(=S)N=NC2c2csc3ccccc32)c1 ZINC000006533952 181350729 /nfs/dbraw/zinc/35/07/29/181350729.db2.gz ZBGPPCBUIFBRNH-UHFFFAOYSA-N 0 0 323.446 4.746 50 0 DJAARN Cc1ccccc1N1C(=S)N=NC1c1csc2ccccc21 ZINC000006533993 181351967 /nfs/dbraw/zinc/35/19/67/181351967.db2.gz ODNUJYATAXLXSW-UHFFFAOYSA-N 0 0 323.446 4.746 50 0 DJAARN Cc1[nH]c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2c1C ZINC000006558612 181354948 /nfs/dbraw/zinc/35/49/48/181354948.db2.gz MTJADTDSRFLLIH-UHFFFAOYSA-N 0 0 312.800 4.999 50 0 DJAARN Cc1nc2sc3c(c2c(N(C)Cc2ccccc2)n1)CCCC3 ZINC000006598466 181359200 /nfs/dbraw/zinc/35/92/00/181359200.db2.gz GJOIDCCFBRYZEP-UHFFFAOYSA-N 0 0 323.465 4.515 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2n1 ZINC000006602255 181360078 /nfs/dbraw/zinc/36/00/78/181360078.db2.gz WGMMEYDLAKMXSA-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN CCn1c(=S)[nH]nc1-c1csc(C)c1-c1ccccc1 ZINC000006605327 181360126 /nfs/dbraw/zinc/36/01/26/181360126.db2.gz OMXSUDDFMNVPGI-UHFFFAOYSA-N 0 0 301.440 4.665 50 0 DJAARN CCOC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000006604273 181360218 /nfs/dbraw/zinc/36/02/18/181360218.db2.gz DOPBEPYJIQAQLB-UHFFFAOYSA-N 0 0 309.390 4.654 50 0 DJAARN CC1CCC(Nc2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000006640534 181363676 /nfs/dbraw/zinc/36/36/76/181363676.db2.gz ZIBKSPGRIZLUEF-UHFFFAOYSA-N 0 0 318.424 4.682 50 0 DJAARN Cc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000006638697 181363738 /nfs/dbraw/zinc/36/37/38/181363738.db2.gz CNIGPINQPIBSQP-KRWDZBQOSA-N 0 0 309.453 4.993 50 0 DJAARN C[C@H](NC(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000006652040 181364965 /nfs/dbraw/zinc/36/49/65/181364965.db2.gz SXBHHKFBPWRLEV-KRWDZBQOSA-N 0 0 315.416 4.774 50 0 DJAARN O=C(Nc1cc(Cl)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000006652654 181366049 /nfs/dbraw/zinc/36/60/49/181366049.db2.gz XKNOMNKAISPZHV-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCCCc2ccccc21 ZINC000006668191 181368072 /nfs/dbraw/zinc/36/80/72/181368072.db2.gz ZRDIFSCRCUSQCA-UHFFFAOYSA-N 0 0 300.789 4.715 50 0 DJAARN COc1ccc(Cl)cc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000006703253 181374566 /nfs/dbraw/zinc/37/45/66/181374566.db2.gz XWWKTEFOGZDFMN-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN CCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000006716086 181376849 /nfs/dbraw/zinc/37/68/49/181376849.db2.gz IGXLAZUQYPCBKI-UHFFFAOYSA-N 0 0 317.392 4.549 50 0 in-vivo DJAARN CCCc1cc(-c2nc(-c3ccc(OC)cc3)cs2)ccn1 ZINC000006719836 181377047 /nfs/dbraw/zinc/37/70/47/181377047.db2.gz UVUVXLDIFQWHBY-UHFFFAOYSA-N 0 0 310.422 4.833 50 0 DJAARN Cc1ccc(-c2noc(CCSCc3ccccc3)n2)cc1 ZINC000006730483 181378374 /nfs/dbraw/zinc/37/83/74/181378374.db2.gz OXBXALOLMXNLOM-UHFFFAOYSA-N 0 0 310.422 4.521 50 0 DJAARN C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc(Cl)cc1Cl ZINC000006741002 181380508 /nfs/dbraw/zinc/38/05/08/181380508.db2.gz FZRRIFPZJGILFV-UWVGGRQHSA-N 0 0 301.217 4.788 50 0 DJAARN Cc1cccc(-c2nc(CSc3nccc(C)n3)cs2)c1 ZINC000006741310 181380670 /nfs/dbraw/zinc/38/06/70/181380670.db2.gz KTNITMXCNXGPIW-UHFFFAOYSA-N 0 0 313.451 4.509 50 0 DJAARN Cc1[nH]c2ccccc2c1C(=O)COc1ccc(F)c(Cl)c1 ZINC000006787728 181388962 /nfs/dbraw/zinc/38/89/62/181388962.db2.gz LUDMENFZGCBEDD-UHFFFAOYSA-N 0 0 317.747 4.531 50 0 DJAARN CCCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1 ZINC000006791084 181389773 /nfs/dbraw/zinc/38/97/73/181389773.db2.gz GZSFDCOZOALTOO-UHFFFAOYSA-N 0 0 308.834 4.846 50 0 DJAARN CN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 ZINC000006804830 181392055 /nfs/dbraw/zinc/39/20/55/181392055.db2.gz FTCPVNAGUGYSPO-UHFFFAOYSA-N 0 0 321.401 4.584 50 0 DJAARN Cc1cc2occ(CC(=O)Nc3c(C)cccc3C)c2c(C)c1 ZINC000006809783 181392801 /nfs/dbraw/zinc/39/28/01/181392801.db2.gz MWMLTDWJFCSLIH-UHFFFAOYSA-N 0 0 307.393 4.848 50 0 DJAARN CCCN(C(=O)CC)c1nc(-c2cccc(Cl)c2)cs1 ZINC000006826649 181395525 /nfs/dbraw/zinc/39/55/25/181395525.db2.gz PQLKHFMLNAEPAT-UHFFFAOYSA-N 0 0 308.834 4.617 50 0 DJAARN Cc1c(C(=O)N2CC[C@@H]2c2ccccc2)[nH]c2c1c(C)ccc2C ZINC000091664619 193086564 /nfs/dbraw/zinc/08/65/64/193086564.db2.gz LCERVPDTKIJLSA-QGZVFWFLSA-N 0 0 318.420 4.680 50 0 DJAARN Cc1occc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000007061999 181436519 /nfs/dbraw/zinc/43/65/19/181436519.db2.gz YSDYHMFGFVOFLR-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN COc1ccc(COc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000261494338 203074102 /nfs/dbraw/zinc/07/41/02/203074102.db2.gz VFXGRJHKNOJZLE-UHFFFAOYSA-N 0 0 316.706 4.946 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257345784 203067018 /nfs/dbraw/zinc/06/70/18/203067018.db2.gz IUJIIZWBDHXZCJ-YWUYUPJPSA-N 0 0 314.469 4.579 50 0 DJAARN CO[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257359381 203068528 /nfs/dbraw/zinc/06/85/28/203068528.db2.gz ZWUUVHILQRWRSQ-PRGVCLAKSA-N 0 0 304.474 4.613 50 0 DJAARN CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257346405 203068614 /nfs/dbraw/zinc/06/86/14/203068614.db2.gz CEMJHSLXAAITIK-MEBXZZOTSA-N 0 0 318.501 4.739 50 0 DJAARN Cc1cccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)c1 ZINC000007333515 181454740 /nfs/dbraw/zinc/45/47/40/181454740.db2.gz AJVNRWSTSGMIIY-JYRVWZFOSA-N 0 0 302.786 4.843 50 0 DJAARN CC[C@@H](C)c1ccccc1NC(=O)CCc1ccc(OC)cc1 ZINC000007349881 181456564 /nfs/dbraw/zinc/45/65/64/181456564.db2.gz IPCOQFWHUZPKCL-OAHLLOKOSA-N 0 0 311.425 4.780 50 0 DJAARN c1c(CSc2nc3ccccc3[nH]2)noc1-c1ccccc1 ZINC000007221219 181447152 /nfs/dbraw/zinc/44/71/52/181447152.db2.gz BUGJWHMXYWVHCT-UHFFFAOYSA-N 0 0 307.378 4.510 50 0 DJAARN Cc1c(Cl)cccc1-c1ccc(CNCc2ccco2)o1 ZINC000007539335 181474023 /nfs/dbraw/zinc/47/40/23/181474023.db2.gz ZSOGONVSPNUGQT-UHFFFAOYSA-N 0 0 301.773 4.791 50 0 DJAARN CC(C)CNc1cc(C(C)C)nc2c(-c3ccccc3)cnn21 ZINC000007636180 181481289 /nfs/dbraw/zinc/48/12/89/181481289.db2.gz OTEXMCVFTGRQLW-UHFFFAOYSA-N 0 0 308.429 4.588 50 0 DJAARN Cc1cc2nc(Oc3ccccc3Cl)c3ccccc3n2n1 ZINC000007737798 181491385 /nfs/dbraw/zinc/49/13/85/181491385.db2.gz ASSHZGLHOACOQR-UHFFFAOYSA-N 0 0 309.756 4.637 50 0 DJAARN CC(C)n1ccc(=O)nc1S[C@H](C)c1ccc2ccccc2c1 ZINC000095948586 193454956 /nfs/dbraw/zinc/45/49/56/193454956.db2.gz CGEYXFPFHAPNET-CQSZACIVSA-N 0 0 324.449 4.831 50 0 DJAARN CC(C)=CCSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007790846 181497282 /nfs/dbraw/zinc/49/72/82/181497282.db2.gz OSIZHXIFUHKMSA-UHFFFAOYSA-N 0 0 324.453 4.820 50 0 DJAARN CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007885909 181504913 /nfs/dbraw/zinc/50/49/13/181504913.db2.gz FNMAYMZVNHNRBL-LJQANCHMSA-N 0 0 320.436 4.713 50 0 DJAARN O=C(CCCOc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000008274638 181542853 /nfs/dbraw/zinc/54/28/53/181542853.db2.gz HDXAENFIQWFRGJ-UHFFFAOYSA-N 0 0 324.207 4.791 50 0 DJAARN Cc1ccc(Oc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000008080401 181525031 /nfs/dbraw/zinc/52/50/31/181525031.db2.gz IIAZMAUEBWMXFW-UHFFFAOYSA-N 0 0 313.360 4.793 50 0 DJAARN CC(C)c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 ZINC000008157859 181530964 /nfs/dbraw/zinc/53/09/64/181530964.db2.gz SEQHLZGIUVNNLG-UHFFFAOYSA-N 0 0 313.372 4.551 50 0 DJAARN CCOc1ccc2ccccc2c1C(=O)Nc1cccc(C)c1 ZINC000008382779 181552829 /nfs/dbraw/zinc/55/28/29/181552829.db2.gz RNVBXVVDMILNLR-UHFFFAOYSA-N 0 0 305.377 4.799 50 0 DJAARN C[C@@H](Oc1ccccc1Cl)c1nnc(-c2cccs2)o1 ZINC000008392557 181554069 /nfs/dbraw/zinc/55/40/69/181554069.db2.gz SXVSESIMWYEYID-SECBINFHSA-N 0 0 306.774 4.592 50 0 DJAARN CCc1cccc(CC)c1NC(=O)c1cccc2ncccc21 ZINC000008744636 181581453 /nfs/dbraw/zinc/58/14/53/181581453.db2.gz VLJJGVCYRRLBKB-UHFFFAOYSA-N 0 0 304.393 4.612 50 0 DJAARN CCCCc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 ZINC000008798637 181586841 /nfs/dbraw/zinc/58/68/41/181586841.db2.gz DWQYTMPHFHNTSK-UHFFFAOYSA-N 0 0 308.381 4.731 50 0 DJAARN CCCCN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000009355457 181616929 /nfs/dbraw/zinc/61/69/29/181616929.db2.gz OYLTTYYMURFJCC-HXUWFJFHSA-N 0 0 318.420 4.524 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000009576112 181630294 /nfs/dbraw/zinc/63/02/94/181630294.db2.gz HCSBOROHUZXXPR-UHFFFAOYSA-N 0 0 317.816 4.826 50 0 DJAARN Cc1ccc2cccc(OCc3cccc4cccnc43)c2n1 ZINC000010900824 181681470 /nfs/dbraw/zinc/68/14/70/181681470.db2.gz VHSHZYXGVFAQRB-UHFFFAOYSA-N 0 0 300.361 4.670 50 0 DJAARN Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(C(C)C)n1 ZINC000011695158 181700180 /nfs/dbraw/zinc/70/01/80/181700180.db2.gz DENAEARFNQOMDD-UHFFFAOYSA-N 0 0 319.408 4.692 50 0 DJAARN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)no1 ZINC000012381616 181754374 /nfs/dbraw/zinc/75/43/74/181754374.db2.gz TZFLFPRRNQJNAA-UHFFFAOYSA-N 0 0 313.184 4.531 50 0 DJAARN Cc1nc2cc(NC(=O)c3cc(Cl)cc(Cl)c3)ccc2o1 ZINC000012748848 181792137 /nfs/dbraw/zinc/79/21/37/181792137.db2.gz STUUNURZHJQQEB-UHFFFAOYSA-N 0 0 321.163 4.695 50 0 DJAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C)ccc1C ZINC000012792876 181798776 /nfs/dbraw/zinc/79/87/76/181798776.db2.gz ZJEBZCCACKKCKC-HNNXBMFYSA-N 0 0 311.425 4.834 50 0 DJAARN C[C@H](NC(=O)CCc1ccccc1)c1cccc2ccccc21 ZINC000012935759 181813857 /nfs/dbraw/zinc/81/38/57/181813857.db2.gz SVBFLEWKSIQHKW-INIZCTEOSA-N 0 0 303.405 4.650 50 0 DJAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000012940937 181814105 /nfs/dbraw/zinc/81/41/05/181814105.db2.gz CZDPSSFHAOGZPG-KBPBESRZSA-N 0 0 315.388 4.745 50 0 DJAARN CCc1cccc(CC)c1NC(=O)c1ccc2ccccc2n1 ZINC000013005845 181821757 /nfs/dbraw/zinc/82/17/57/181821757.db2.gz KQVMNRYRDJEMPI-UHFFFAOYSA-N 0 0 304.393 4.612 50 0 DJAARN Cc1ccc(C)c(CSCCC(=O)Nc2ccccc2F)c1 ZINC000013017556 181824259 /nfs/dbraw/zinc/82/42/59/181824259.db2.gz SSORBMZZRWNYJC-UHFFFAOYSA-N 0 0 317.429 4.705 50 0 DJAARN O=C(NCc1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC000013327901 181844269 /nfs/dbraw/zinc/84/42/69/181844269.db2.gz MIYBUTWBJMFWFB-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN Cc1ccc(O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013483828 181855046 /nfs/dbraw/zinc/85/50/46/181855046.db2.gz QZBOWZWSUSJXHM-LBPRGKRZSA-N 0 0 314.772 4.838 50 0 DJAARN CCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000013744571 181888377 /nfs/dbraw/zinc/88/83/77/181888377.db2.gz JVHYVXODPVQCGR-SNVBAGLBSA-N 0 0 308.834 4.847 50 0 DJAARN C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000014248452 181942594 /nfs/dbraw/zinc/94/25/94/181942594.db2.gz ZUNNRBHQVROXOX-LLVKDONJSA-N 0 0 315.369 4.638 50 0 DJAARN O=C(Cc1c[nH]c2ccccc12)Oc1ccc(Cl)c(Cl)c1 ZINC000015013587 181983517 /nfs/dbraw/zinc/98/35/17/181983517.db2.gz GUKPCYRJOBBQGR-UHFFFAOYSA-N 0 0 320.175 4.623 50 0 DJAARN Cc1ccc2cccc(OCc3cc(-c4ccccc4)on3)c2n1 ZINC000015554929 182006725 /nfs/dbraw/zinc/00/67/25/182006725.db2.gz CGGAPHAEUYEAAK-UHFFFAOYSA-N 0 0 316.360 4.777 50 0 DJAARN Cc1cc(C2=NNC(=Nc3ccccc3C)SC2)c(C)s1 ZINC000015403888 182000691 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ZINC000016125168 182035208 /nfs/dbraw/zinc/03/52/08/182035208.db2.gz JCSZXGTXRLOCHN-UHFFFAOYSA-N 0 0 307.187 4.558 50 0 DJAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000016303311 182039620 /nfs/dbraw/zinc/03/96/20/182039620.db2.gz QOMGIXVWKMTGDT-FZMZJTMJSA-N 0 0 301.773 4.727 50 0 DJAARN C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000016641881 182054656 /nfs/dbraw/zinc/05/46/56/182054656.db2.gz UIJVDKUCYSTRRB-LBPRGKRZSA-N 0 0 319.857 4.941 50 0 DJAARN Cc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1C ZINC000016506085 182047536 /nfs/dbraw/zinc/04/75/36/182047536.db2.gz MNEVYRMQSKVPIS-UHFFFAOYSA-N 0 0 324.449 4.875 50 0 DJAARN Cc1cc(O[C@@H](C)c2nc3cc(F)ccc3[nH]2)ccc1Cl ZINC000016903983 182063976 /nfs/dbraw/zinc/06/39/76/182063976.db2.gz OMTHLFGWDSHXNF-JTQLQIEISA-N 0 0 304.752 4.804 50 0 DJAARN COC(=O)c1ccccc1-c1ccc(OCc2ccccc2)cc1 ZINC000016946881 182065043 /nfs/dbraw/zinc/06/50/43/182065043.db2.gz NRZAIIOLJCQPEX-UHFFFAOYSA-N 0 0 318.372 4.719 50 0 DJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000017066368 182074142 /nfs/dbraw/zinc/07/41/42/182074142.db2.gz OEPFYPKPWVMYAT-UHFFFAOYSA-N 0 0 324.302 4.666 50 0 DJAARN CN(Cc1ccccc1)C(=O)c1ccccc1Nc1ccccc1 ZINC000017334092 182084159 /nfs/dbraw/zinc/08/41/59/182084159.db2.gz YQBDKSDLKDBETI-UHFFFAOYSA-N 0 0 316.404 4.702 50 0 DJAARN C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000017743173 182085737 /nfs/dbraw/zinc/08/57/37/182085737.db2.gz NLEUIHOBTSWRTR-SNVBAGLBSA-N 0 0 306.818 4.553 50 0 DJAARN CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000018131185 182093804 /nfs/dbraw/zinc/09/38/04/182093804.db2.gz WWYPXGPZMKWRIA-FQEVSTJZSA-N 0 0 320.436 4.614 50 0 DJAARN CC(C)c1ccc(CCNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000018010991 182089682 /nfs/dbraw/zinc/08/96/82/182089682.db2.gz CWYPSMYKOYWDGP-UHFFFAOYSA-N 0 0 319.807 4.575 50 0 DJAARN COc1ccc(Cl)cc1-c1n[nH]c(=S)n1C1CCCCC1 ZINC000018136990 182094744 /nfs/dbraw/zinc/09/47/44/182094744.db2.gz SXOYEPCYIHPRBW-UHFFFAOYSA-N 0 0 323.849 4.775 50 0 DJAARN O=C(Nc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1 ZINC000018172496 182095743 /nfs/dbraw/zinc/09/57/43/182095743.db2.gz QGLOVROUGNNHDL-UHFFFAOYSA-N 0 0 315.804 4.584 50 0 DJAARN C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000018172374 182095834 /nfs/dbraw/zinc/09/58/34/182095834.db2.gz LDBNHWCSLNHPTC-ZDUSSCGKSA-N 0 0 308.356 4.862 50 0 DJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000018181035 182096923 /nfs/dbraw/zinc/09/69/23/182096923.db2.gz IULSZVZHVSSOIS-SECBINFHSA-N 0 0 313.184 4.778 50 0 DJAARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ccccc3N=CC12 ZINC000018222460 182099400 /nfs/dbraw/zinc/09/94/00/182099400.db2.gz WEVFWPLDGDRSKB-LBPRGKRZSA-N 0 0 304.349 4.570 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1F ZINC000019075114 182103947 /nfs/dbraw/zinc/10/39/47/182103947.db2.gz GQCSJBKWLKGVRN-UHFFFAOYSA-N 0 0 317.122 4.916 50 0 DJAARN Cc1cc2c(c(C)c1Cl)CN(Cc1ccccc1Cl)CO2 ZINC000019856977 182156947 /nfs/dbraw/zinc/15/69/47/182156947.db2.gz AJDOFOMQMYUQEB-UHFFFAOYSA-N 0 0 322.235 4.962 50 0 DJAARN C[C@H](Cc1c[nH]c2ccccc12)Nc1ccc2ccccc2n1 ZINC000019857115 182158640 /nfs/dbraw/zinc/15/86/40/182158640.db2.gz JROTXPVKVRQMGU-CQSZACIVSA-N 0 0 301.393 4.759 50 0 DJAARN CC(=O)c1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000020096547 182185867 /nfs/dbraw/zinc/18/58/67/182185867.db2.gz SHZDPOQVSYLHRN-UHFFFAOYSA-N 0 0 321.420 4.648 50 0 DJAARN O=C1O/C(=C\c2ccc3ccc(Cl)cc3n2)c2ccccc21 ZINC000020060148 182184794 /nfs/dbraw/zinc/18/47/94/182184794.db2.gz GWWHUPKGYXPRKZ-YVLHZVERSA-N 0 0 307.736 4.557 50 0 DJAARN CCc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000020192191 182196247 /nfs/dbraw/zinc/19/62/47/182196247.db2.gz ATEFCXYJBBMPNJ-AWEZNQCLSA-N 0 0 308.425 4.620 50 0 DJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1C ZINC000020394580 182214282 /nfs/dbraw/zinc/21/42/82/182214282.db2.gz KBGPJXRGIAVMOZ-HNNXBMFYSA-N 0 0 308.425 4.675 50 0 DJAARN c1[nH]nc2nc(-c3cccc4cccnc43)c(-c3ccccc3)cc12 ZINC000020407049 182214723 /nfs/dbraw/zinc/21/47/23/182214723.db2.gz MLJJWDCQJVMOSZ-UHFFFAOYSA-N 0 0 322.371 4.840 50 0 DJAARN Cc1sc2c(c1C)CSC(C(=O)Nc1ccc(F)cc1)=C2 ZINC000020557293 182231419 /nfs/dbraw/zinc/23/14/19/182231419.db2.gz VGLAERYYRYJDPO-UHFFFAOYSA-N 0 0 319.426 4.730 50 0 DJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCCCCCC1 ZINC000020515149 182226583 /nfs/dbraw/zinc/22/65/83/182226583.db2.gz AEPKHWLMTKLPRJ-UHFFFAOYSA-N 0 0 300.324 4.503 50 0 DJAARN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000020536126 182228236 /nfs/dbraw/zinc/22/82/36/182228236.db2.gz BOOJOHGCZDNEFZ-SECBINFHSA-N 0 0 314.332 4.650 50 0 DJAARN CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nccc3N2)cc1 ZINC000020616562 182239352 /nfs/dbraw/zinc/23/93/52/182239352.db2.gz LXZABDZIFWMVDY-KBPBESRZSA-N 0 0 309.335 4.667 50 0 DJAARN Cc1noc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c12 ZINC000020615637 182239514 /nfs/dbraw/zinc/23/95/14/182239514.db2.gz JEOWRVFSQRWWME-UHFFFAOYSA-N 0 0 318.367 4.937 50 0 DJAARN Cc1noc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 ZINC000020605075 182237215 /nfs/dbraw/zinc/23/72/15/182237215.db2.gz OUYSHIFBWOYSOQ-UHFFFAOYSA-N 0 0 318.707 4.932 50 0 DJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C)noc3n2)cc1 ZINC000020605809 182238015 /nfs/dbraw/zinc/23/80/15/182238015.db2.gz UCRLVVCGBGNTGY-UHFFFAOYSA-N 0 0 306.287 4.779 50 0 DJAARN CC(=O)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000020820998 182247964 /nfs/dbraw/zinc/24/79/64/182247964.db2.gz VAAWSGLQFKNICQ-UHFFFAOYSA-N 0 0 310.180 4.531 50 0 DJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000020863394 182249981 /nfs/dbraw/zinc/24/99/81/182249981.db2.gz DAYOGDCBCDFBGW-ZWKOTPCHSA-N 0 0 319.404 4.644 50 0 DJAARN Cc1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)cc1 ZINC000020997966 182258393 /nfs/dbraw/zinc/25/83/93/182258393.db2.gz VPYLHQLKPGSKSJ-FQEVSTJZSA-N 0 0 318.420 4.723 50 0 DJAARN Cc1ccccc1NC(=O)C[C@@H](c1ccccc1C)n1cccc1 ZINC000020998675 182258975 /nfs/dbraw/zinc/25/89/75/182258975.db2.gz QAOMQJRDJIYCPM-FQEVSTJZSA-N 0 0 318.420 4.723 50 0 DJAARN Cc1cccc([C@@H](CC(=O)Nc2ccccc2C)n2cccc2)c1 ZINC000020999010 182258977 /nfs/dbraw/zinc/25/89/77/182258977.db2.gz 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AKSBXXCIXNLLNK-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN CCOC(=O)c1cnc(Nc2ccccc2CC)c2ccccc12 ZINC000021650184 182281997 /nfs/dbraw/zinc/28/19/97/182281997.db2.gz XWLXHEYHYLATRV-UHFFFAOYSA-N 0 0 320.392 4.718 50 0 DJAARN CCCCNc1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC000021643140 182282340 /nfs/dbraw/zinc/28/23/40/182282340.db2.gz QHKSYFBNUOXFEK-UHFFFAOYSA-N 0 0 313.426 4.579 50 0 DJAARN C/C=C/c1ccc(O[C@H](C)c2nc3ccccc3[nH]2)c(OC)c1 ZINC000021658896 182282856 /nfs/dbraw/zinc/28/28/56/182282856.db2.gz YIRDRBWMTHCFKI-WXJAXGNASA-N 0 0 308.381 4.745 50 0 biogenic DJAARN CCOC(=O)c1cnc(Nc2cc(C)ccc2C)c2ccccc12 ZINC000021650222 182282882 /nfs/dbraw/zinc/28/28/82/182282882.db2.gz MKRKXWUUFZBFNW-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)nc1 ZINC000021877210 182296221 /nfs/dbraw/zinc/29/62/21/182296221.db2.gz FWAMXRMMOVKGKC-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN CC(C)c1ccc(-c2nnc(NC(=O)CC(C)(C)C)s2)cc1 ZINC000021907992 182298074 /nfs/dbraw/zinc/29/80/74/182298074.db2.gz FQBDONJBTWGGHP-UHFFFAOYSA-N 0 0 317.458 4.703 50 0 DJAARN O=C(c1cc2ccccc2s1)N1CCC[C@@H]1c1cccs1 ZINC000022131794 182309867 /nfs/dbraw/zinc/30/98/67/182309867.db2.gz KZOJONYPIRZABF-CYBMUJFWSA-N 0 0 313.447 4.940 50 0 DJAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2c1C ZINC000022131697 182309896 /nfs/dbraw/zinc/30/98/96/182309896.db2.gz FGWLTBJIUYREME-KRWDZBQOSA-N 0 0 324.449 4.824 50 0 DJAARN c1sc2ncnc(Oc3cccnc3)c2c1-c1ccccc1 ZINC000021937649 182299176 /nfs/dbraw/zinc/29/91/76/182299176.db2.gz GSPPMCOPEVAJBM-UHFFFAOYSA-N 0 0 305.362 4.546 50 0 DJAARN CCC(CC)C(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000022341099 182319361 /nfs/dbraw/zinc/31/93/61/182319361.db2.gz VJUMFZBCOFTWOE-OAQYLSRUSA-N 0 0 321.464 4.905 50 0 DJAARN CCCN(CC1CC1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000022341687 182319453 /nfs/dbraw/zinc/31/94/53/182319453.db2.gz NELGPOBIOUNWPH-UHFFFAOYSA-N 0 0 317.429 4.816 50 0 DJAARN CC(C)(C)c1ccc2oc(-c3ccc4c(c3)OCCO4)nc2c1 ZINC000022646993 182329817 /nfs/dbraw/zinc/32/98/17/182329817.db2.gz AWFYLOADBRHPAI-UHFFFAOYSA-N 0 0 309.365 4.564 50 0 DJAARN CCOc1ccc(OCC)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000022648341 182329991 /nfs/dbraw/zinc/32/99/91/182329991.db2.gz LYQGRLDURRTJGU-UHFFFAOYSA-N 0 0 311.381 4.909 50 0 DJAARN CC[C@@H](C)C(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1 ZINC000022468068 182322920 /nfs/dbraw/zinc/32/29/20/182322920.db2.gz BTPRTQFYFRAZHH-SNVBAGLBSA-N 0 0 313.426 4.584 50 0 DJAARN CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCc2ccccc21 ZINC000023151666 182351286 /nfs/dbraw/zinc/35/12/86/182351286.db2.gz YHMYFWVDGJYSCD-KRWDZBQOSA-N 0 0 305.377 4.582 50 0 DJAARN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc2ccccc21 ZINC000023119970 182348865 /nfs/dbraw/zinc/34/88/65/182348865.db2.gz CCMMVHNWROPAHI-UHFFFAOYSA-N 0 0 323.367 4.775 50 0 DJAARN Cc1cc(N[C@@H](C)CCCC(C)(C)O)nc2cc(Cl)ccc12 ZINC000023634295 182364492 /nfs/dbraw/zinc/36/44/92/182364492.db2.gz OMIOJWGIEOPMFL-ZDUSSCGKSA-N 0 0 320.864 4.938 50 0 DJAARN COc1cccc2c(C)cc(NCc3ccccc3Cl)nc12 ZINC000023634624 182365121 /nfs/dbraw/zinc/36/51/21/182365121.db2.gz JAIDAUKLGIJDAX-UHFFFAOYSA-N 0 0 312.800 4.817 50 0 DJAARN COc1cc(C)ccc1OCc1coc(-c2ccc(C)cc2)n1 ZINC000024987097 182397829 /nfs/dbraw/zinc/39/78/29/182397829.db2.gz RIGANZOFPBYYEK-UHFFFAOYSA-N 0 0 309.365 4.546 50 0 DJAARN CC[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2nc1C ZINC000025949415 182426027 /nfs/dbraw/zinc/42/60/27/182426027.db2.gz CVXHRWNQFZBBRD-OAHLLOKOSA-N 0 0 316.832 4.601 50 0 DJAARN CC(C)C[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025583227 182416978 /nfs/dbraw/zinc/41/69/78/182416978.db2.gz QRSRRKFEYGMLGP-UYAOXDASSA-N 0 0 324.399 4.741 50 0 DJAARN COc1ccc(S[C@H](C)c2nc(-c3cccs3)no2)cc1 ZINC000026045721 182429419 /nfs/dbraw/zinc/42/94/19/182429419.db2.gz SORZXJLCZKKSNS-SNVBAGLBSA-N 0 0 318.423 4.660 50 0 DJAARN O=C(CC1CCCCC1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032104622 182635624 /nfs/dbraw/zinc/63/56/24/182635624.db2.gz XCUZJQPWFDBPFR-UHFFFAOYSA-N 0 0 310.441 4.629 50 0 DJAARN Cc1ccc([C@@H](NC(=O)C[C@H]2C=CCC2)c2ccccc2)cc1C ZINC000032739271 182657973 /nfs/dbraw/zinc/65/79/73/182657973.db2.gz RHBAUEMECXIISN-AVRDEDQJSA-N 0 0 319.448 4.865 50 0 DJAARN O=C(Nc1cccnc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000032832616 182669950 /nfs/dbraw/zinc/66/99/50/182669950.db2.gz MQHMLYMOHVVOPN-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(C)nc2)cc1 ZINC000032898837 182675567 /nfs/dbraw/zinc/67/55/67/182675567.db2.gz ZKYZKHMOBIJQAK-UHFFFAOYSA-N 0 0 316.404 4.545 50 0 DJAARN CCC[C@@H](NC(=O)N[C@H](C)c1cccs1)c1ccccc1 ZINC000032801866 182665431 /nfs/dbraw/zinc/66/54/31/182665431.db2.gz UIPFCVMGLPJYQM-UKRRQHHQSA-N 0 0 302.443 4.650 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1cccnc1-c1cccs1 ZINC000033139042 182694670 /nfs/dbraw/zinc/69/46/70/182694670.db2.gz JFEGNKQQOVLXNU-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN Cc1cc(C)c(NC(=O)/C=C\c2ccc(F)cc2)c(Cl)c1 ZINC000033287744 182700817 /nfs/dbraw/zinc/70/08/17/182700817.db2.gz BTCJETJXWOVHIS-YVMONPNESA-N 0 0 303.764 4.748 50 0 DJAARN CCC(=O)Oc1cccc2ccc(/C=C\c3cccc(F)c3)nc21 ZINC000033457239 182713522 /nfs/dbraw/zinc/71/35/22/182713522.db2.gz FFDXBTYOSFYQED-LUAWRHEFSA-N 0 0 321.351 4.860 50 0 DJAARN Cc1ccccc1-c1nc(COc2cccc3ccccc32)no1 ZINC000034906947 182742296 /nfs/dbraw/zinc/74/22/96/182742296.db2.gz PQMFIFMVKQUQFQ-UHFFFAOYSA-N 0 0 316.360 4.777 50 0 DJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000036620410 182830127 /nfs/dbraw/zinc/83/01/27/182830127.db2.gz GCIWBRDLEAIZRO-SFHVURJKSA-N 0 0 312.388 4.757 50 0 DJAARN COc1ccc(Nc2ncc(Cc3ccccc3C)s2)cc1 ZINC000036635978 182832282 /nfs/dbraw/zinc/83/22/82/182832282.db2.gz FYRPZWIZWGNGBC-UHFFFAOYSA-N 0 0 310.422 4.795 50 0 DJAARN CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 ZINC000040049948 183029677 /nfs/dbraw/zinc/02/96/77/183029677.db2.gz VAMWJKPVRUGDIA-INIZCTEOSA-N 0 0 320.219 4.753 50 0 DJAARN C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccccc1F)C1CC1 ZINC000040070280 183030841 /nfs/dbraw/zinc/03/08/41/183030841.db2.gz DISMKQNSFDOVRT-GFCCVEGCSA-N 0 0 317.791 4.845 50 0 DJAARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)Cc1cccs1 ZINC000039479355 183019776 /nfs/dbraw/zinc/01/97/76/183019776.db2.gz WOMTXJAETYKEDV-UHFFFAOYSA-N 0 0 319.813 4.728 50 0 DJAARN Cc1cc2occ(CC(=O)Nc3ccccc3F)c2cc1Cl ZINC000039892747 183022134 /nfs/dbraw/zinc/02/21/34/183022134.db2.gz QORWMGRPVSANAP-UHFFFAOYSA-N 0 0 317.747 4.715 50 0 DJAARN CCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000040072757 183031384 /nfs/dbraw/zinc/03/13/84/183031384.db2.gz RTMFIFZMILVBBP-UHFFFAOYSA-N 0 0 301.217 4.790 50 0 DJAARN CSc1ccc(CN(C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000040095033 183033481 /nfs/dbraw/zinc/03/34/81/183033481.db2.gz DQSKYIAGPCLUMG-UHFFFAOYSA-N 0 0 314.454 4.689 50 0 DJAARN C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000040096034 183034133 /nfs/dbraw/zinc/03/41/33/183034133.db2.gz NNGHMZIOCSITOZ-LLVKDONJSA-N 0 0 308.303 4.588 50 0 DJAARN Cc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1C ZINC000040095292 183034240 /nfs/dbraw/zinc/03/42/40/183034240.db2.gz IZTUNEKPTALKML-AWEZNQCLSA-N 0 0 300.377 4.667 50 0 DJAARN Cc1cc(C)c(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c(C)c1 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Cc1ccccc1[C@@H](C)NC(=O)c1[nH]c2ccccc2c1Cl ZINC000040144894 183039063 /nfs/dbraw/zinc/03/90/63/183039063.db2.gz QQHSDKILZFRKHA-GFCCVEGCSA-N 0 0 312.800 4.621 50 0 DJAARN O=C(Nc1ccc2c(c1)CCC2)c1[nH]c2ccccc2c1Cl ZINC000040144078 183039076 /nfs/dbraw/zinc/03/90/76/183039076.db2.gz BBUQQCPXWDAVBH-UHFFFAOYSA-N 0 0 310.784 4.562 50 0 DJAARN CC(C)c1nc2cc(NC(=O)c3ccccc3Cl)ccc2[nH]1 ZINC000040287631 183052169 /nfs/dbraw/zinc/05/21/69/183052169.db2.gz ONXFFRPBRISZHM-UHFFFAOYSA-N 0 0 313.788 4.592 50 0 DJAARN O=C(Nc1ccc(-c2ccccc2)nc1Cl)c1ccccc1 ZINC000040816650 183137413 /nfs/dbraw/zinc/13/74/13/183137413.db2.gz XZSXMXFKMUCBBN-UHFFFAOYSA-N 0 0 308.768 4.654 50 0 DJAARN c1ccc2c(c1)nc(NC1CCCCC1)nc2N1CCCCCC1 ZINC000041149509 183177509 /nfs/dbraw/zinc/17/75/09/183177509.db2.gz WROKJEDEMBQIHJ-UHFFFAOYSA-N 0 0 324.472 4.755 50 0 DJAARN CCc1cccc(C)c1NC(=O)N(C)Cc1sccc1C ZINC000043156107 183342287 /nfs/dbraw/zinc/34/22/87/183342287.db2.gz SKTNQAUBUOQPBF-UHFFFAOYSA-N 0 0 302.443 4.591 50 0 DJAARN CCOC(=O)/C=C(\C)c1ccc(-c2ccc(F)cc2F)cc1 ZINC000043761137 183384849 /nfs/dbraw/zinc/38/48/49/183384849.db2.gz NFDQLLITCOILEQ-ZRDIBKRKSA-N 0 0 302.320 4.598 50 0 DJAARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)c1ccccc1F ZINC000044029631 183392925 /nfs/dbraw/zinc/39/29/25/183392925.db2.gz IYQQGFCAXMTCDN-VIFPVBQESA-N 0 0 305.403 4.526 50 0 DJAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(C)c2C)c1 ZINC000046018357 183543238 /nfs/dbraw/zinc/54/32/38/183543238.db2.gz CQRJMVVGHZCGSA-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)c2c(F)cccc2Cl)cc1 ZINC000046017948 183543442 /nfs/dbraw/zinc/54/34/42/183543442.db2.gz UGAIOUSMVSJMHG-MRXNPFEDSA-N 0 0 317.791 4.765 50 0 DJAARN C[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)c2cc(Cl)ccc2S1 ZINC000048343617 183647826 /nfs/dbraw/zinc/64/78/26/183647826.db2.gz MCXGBEOWCIZLSV-OLZOCXBDSA-N 0 0 321.873 4.914 50 0 DJAARN Cc1c(F)cccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000051354545 183824290 /nfs/dbraw/zinc/82/42/90/183824290.db2.gz OQGMAPULUHGUED-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN Cc1ccc(CC(=O)Nc2ccccc2OC2CCCC2)s1 ZINC000057046558 184025992 /nfs/dbraw/zinc/02/59/92/184025992.db2.gz CYBJRTPNMSKNLS-UHFFFAOYSA-N 0 0 315.438 4.559 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(C)C)c3)n[nH]2)cc1 ZINC000057477025 184039850 /nfs/dbraw/zinc/03/98/50/184039850.db2.gz FRKSATIIOWXFQJ-UHFFFAOYSA-N 0 0 319.408 4.761 50 0 DJAARN Cc1csc(N(C(=O)[C@H]2C[C@@H]2c2ccco2)c2ccccc2)n1 ZINC000058202866 184087550 /nfs/dbraw/zinc/08/75/50/184087550.db2.gz VZACLCGCPBLUHB-GJZGRUSLSA-N 0 0 324.405 4.513 50 0 DJAARN O=C(c1cccc2ccccc21)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000058354976 184107786 /nfs/dbraw/zinc/10/77/86/184107786.db2.gz CNODJBINMHTJOK-HXUWFJFHSA-N 0 0 319.379 4.956 50 0 DJAARN CS[C@@H](C)C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000058357719 184109037 /nfs/dbraw/zinc/10/90/37/184109037.db2.gz UIMGNHIWLLRGLY-ZDUSSCGKSA-N 0 0 322.433 4.592 50 0 DJAARN c1cc2c(ncnc2Oc2ccc(Oc3ccccn3)cc2)s1 ZINC000058394206 184112448 /nfs/dbraw/zinc/11/24/48/184112448.db2.gz BDAFDPNLFUBHII-UHFFFAOYSA-N 0 0 321.361 4.671 50 0 DJAARN CC(C)c1noc(CN(C)c2ccc(Oc3ccccc3)cc2)n1 ZINC000058418775 184115310 /nfs/dbraw/zinc/11/53/10/184115310.db2.gz NMRSTZOSYSJYPP-UHFFFAOYSA-N 0 0 323.396 4.622 50 0 DJAARN Cc1cn2c(/C=C/c3ccc4ccccc4n3)c(C)nc2s1 ZINC000058452711 184119305 /nfs/dbraw/zinc/11/93/05/184119305.db2.gz CVTHWLGJMZAJGS-MDZDMXLPSA-N 0 0 305.406 4.731 50 0 DJAARN CCc1ccsc1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000060205819 184144996 /nfs/dbraw/zinc/14/49/96/184144996.db2.gz ZMOYKGATBSLGAF-UHFFFAOYSA-N 0 0 321.873 4.672 50 0 DJAARN CCC(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 ZINC000060388980 184147973 /nfs/dbraw/zinc/14/79/73/184147973.db2.gz HKQDQRJNKWWVDG-UHFFFAOYSA-N 0 0 324.449 4.856 50 0 DJAARN C[C@@H](c1ccccc1Cl)N(C(=O)NC1CCCCC1)C1CC1 ZINC000062581924 184244504 /nfs/dbraw/zinc/24/45/04/184244504.db2.gz QJWORCONHXRCRF-ZDUSSCGKSA-N 0 0 320.864 4.908 50 0 DJAARN C[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000063402749 184281324 /nfs/dbraw/zinc/28/13/24/184281324.db2.gz RAYHFYQOLWVYIG-UKRRQHHQSA-N 0 0 308.491 4.667 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)c(C)c1 ZINC000065030138 184308855 /nfs/dbraw/zinc/30/88/55/184308855.db2.gz MQKWOIOJNOMMOX-UHFFFAOYSA-N 0 0 320.367 4.757 50 0 DJAARN CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(C)cc3)c2c1 ZINC000065033741 184308873 /nfs/dbraw/zinc/30/88/73/184308873.db2.gz HPKAHBJXGJXJAD-UHFFFAOYSA-N 0 0 320.392 4.636 50 0 DJAARN Cc1c2cc(C)ccc2oc1-c1noc(-c2ccc(F)cc2)n1 ZINC000065097200 184310858 /nfs/dbraw/zinc/31/08/58/184310858.db2.gz BOKUBJTZHNWJDJ-UHFFFAOYSA-N 0 0 308.312 4.906 50 0 DJAARN CCOc1ccccc1CN1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064667115 184302098 /nfs/dbraw/zinc/30/20/98/184302098.db2.gz BYLSGYPGRQZMOL-KRWDZBQOSA-N 0 0 314.429 4.534 50 0 DJAARN CCc1cccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000064677378 184302562 /nfs/dbraw/zinc/30/25/62/184302562.db2.gz ISUPNUMUFQNLAX-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN Cc1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)oc1C ZINC000065428930 184343614 /nfs/dbraw/zinc/34/36/14/184343614.db2.gz 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/nfs/dbraw/zinc/38/74/82/563387482.db2.gz YGAMKEXJGQQBDH-CAPFRKAQSA-N 0 0 305.333 4.753 50 0 DJAARN CN(Cc1ccsc1)C(=O)c1ccccc1Nc1ccccc1 ZINC000032741254 563389038 /nfs/dbraw/zinc/38/90/38/563389038.db2.gz GPRPJDFZYIVHGR-UHFFFAOYSA-N 0 0 322.433 4.764 50 0 DJAARN CC1CCC(NC(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000013775031 563389293 /nfs/dbraw/zinc/38/92/93/563389293.db2.gz BVYGVTKUDGZNEN-UHFFFAOYSA-N 0 0 316.392 4.571 50 0 DJAARN CC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013807511 563389689 /nfs/dbraw/zinc/38/96/89/563389689.db2.gz MZRZIDNDIZYVMP-SJLPKXTDSA-N 0 0 312.800 4.620 50 0 DJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(F)c(F)c1 ZINC000032754308 563390697 /nfs/dbraw/zinc/39/06/97/563390697.db2.gz YKXZCDZECLPCQH-NSHDSACASA-N 0 0 315.319 4.544 50 0 DJAARN CCc1ccccc1NC(=S)N[C@@H](C)c1cc(C)ccc1C ZINC000013931194 563391949 /nfs/dbraw/zinc/39/19/49/563391949.db2.gz GTVBBBIOVDHMQZ-HNNXBMFYSA-N 0 0 312.482 4.913 50 0 DJAARN COc1ccccc1CC(=O)Nc1ccccc1-c1cccs1 ZINC000014016712 563393943 /nfs/dbraw/zinc/39/39/43/563393943.db2.gz MIPWUVFITAYMAL-UHFFFAOYSA-N 0 0 323.417 4.605 50 0 DJAARN Cc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1F ZINC000032801983 563395558 /nfs/dbraw/zinc/39/55/58/563395558.db2.gz JGWAHELNJBCDQC-UHFFFAOYSA-N 0 0 321.804 4.540 50 0 DJAARN CCC[C@H](NC(=O)N[C@H](C)c1cccs1)c1ccccc1 ZINC000032801868 563395717 /nfs/dbraw/zinc/39/57/17/563395717.db2.gz UIPFCVMGLPJYQM-HIFRSBDPSA-N 0 0 302.443 4.650 50 0 DJAARN Cc1ccc(-c2noc([C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000014201627 563397541 /nfs/dbraw/zinc/39/75/41/563397541.db2.gz YBCQLYRQEZNNDM-GFCCVEGCSA-N 0 0 314.772 4.838 50 0 DJAARN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000014242798 563399027 /nfs/dbraw/zinc/39/90/27/563399027.db2.gz SFIKQXYGIUKLMY-VIFPVBQESA-N 0 0 310.731 4.501 50 0 DJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 ZINC000014268959 563400373 /nfs/dbraw/zinc/40/03/73/563400373.db2.gz LDZSWERXVLKWGR-INIZCTEOSA-N 0 0 308.425 4.626 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000014427202 563401028 /nfs/dbraw/zinc/40/10/28/563401028.db2.gz KEAPNZULUWMJSE-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1c2ccccc2sc1C(=O)Nc1ccncc1Cl ZINC000032845157 563401839 /nfs/dbraw/zinc/40/18/39/563401839.db2.gz AGKRIJQWFNUIRY-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 ZINC000032847901 563402296 /nfs/dbraw/zinc/40/22/96/563402296.db2.gz YIKHGHQJHMWYGQ-INIZCTEOSA-N 0 0 320.436 4.538 50 0 DJAARN CCN1c2ccccc2[C@H](Cc2oc3c(cccc3C)c2C)C1=O ZINC000015018012 563405995 /nfs/dbraw/zinc/40/59/95/563405995.db2.gz XLYAOJIUTXEXAC-KRWDZBQOSA-N 0 0 319.404 4.742 50 0 DJAARN COc1cccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)c1 ZINC000015018088 563406247 /nfs/dbraw/zinc/40/62/47/563406247.db2.gz BJPWKMLYKNBUJI-YYWHXJBOSA-N 0 0 323.436 4.947 50 0 DJAARN CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000015349395 563409466 /nfs/dbraw/zinc/40/94/66/563409466.db2.gz QJPFHHYXZPUYST-UHFFFAOYSA-N 0 0 301.389 4.559 50 0 DJAARN O=C(Nc1ccccc1F)Oc1cc(Cl)ccc1Cl ZINC000000398593 563414295 /nfs/dbraw/zinc/41/42/95/563414295.db2.gz OCWHMGRRXIRURI-UHFFFAOYSA-N 0 0 300.116 4.743 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2cccc3cnccc32)cc1 ZINC000021217784 563417706 /nfs/dbraw/zinc/41/77/06/563417706.db2.gz PBYIIOZKYJEKJP-UHFFFAOYSA-N 0 0 304.393 4.785 50 0 DJAARN Cc1ccc(C(=O)Nc2ccccc2SC2CCCC2)cn1 ZINC000025267170 563422203 /nfs/dbraw/zinc/42/22/03/563422203.db2.gz HEYVZHKVTJORAE-UHFFFAOYSA-N 0 0 312.438 4.677 50 0 DJAARN CC[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2nc1C ZINC000025949419 563424274 /nfs/dbraw/zinc/42/42/74/563424274.db2.gz CVXHRWNQFZBBRD-HNNXBMFYSA-N 0 0 316.832 4.601 50 0 DJAARN COc1ccccc1[C@@H](C)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000026333434 563425339 /nfs/dbraw/zinc/42/53/39/563425339.db2.gz HTIPYWRKRHBYCF-OAHLLOKOSA-N 0 0 322.408 4.543 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000027255199 563427157 /nfs/dbraw/zinc/42/71/57/563427157.db2.gz IRQNCCGYCLLPIX-FOIQADDNSA-N 0 0 322.452 4.708 50 0 DJAARN Cc1nc2ccccc2n1C(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000026964834 563427259 /nfs/dbraw/zinc/42/72/59/563427259.db2.gz JTIWJAYMDDYRDS-HZMBPMFUSA-N 0 0 323.223 4.576 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c1 ZINC000027583520 563428766 /nfs/dbraw/zinc/42/87/66/563428766.db2.gz WMSFGGZPIJSQDA-UHFFFAOYSA-N 0 0 320.392 4.828 50 0 DJAARN CN(C(=O)c1ccc(CSc2ccccc2)o1)c1ccccc1 ZINC000028265830 563430736 /nfs/dbraw/zinc/43/07/36/563430736.db2.gz NOZANDVWPWNXIX-UHFFFAOYSA-N 0 0 323.417 4.849 50 0 DJAARN COc1ccc(-c2csc(-c3sccc3C)n2)cc1F ZINC000028334554 563431708 /nfs/dbraw/zinc/43/17/08/563431708.db2.gz WLBVXHJUXKVXFF-UHFFFAOYSA-N 0 0 305.399 4.995 50 0 DJAARN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000028881112 563432912 /nfs/dbraw/zinc/43/29/12/563432912.db2.gz AZQORLIFFSBQPP-MRXNPFEDSA-N 0 0 321.342 4.515 50 0 DJAARN COc1ccccc1-c1c(C)c2ccc(C(C)(C)C)cc2[nH]c1=O ZINC000030822825 563438956 /nfs/dbraw/zinc/43/89/56/563438956.db2.gz SMEOGSPCNDYIFM-UHFFFAOYSA-N 0 0 321.420 4.810 50 0 DJAARN Clc1ccccc1-c1nnc(-c2ccc3ccccc3n2)o1 ZINC000030823934 563439013 /nfs/dbraw/zinc/43/90/13/563439013.db2.gz XUTQMMBTBQRRDM-UHFFFAOYSA-N 0 0 307.740 4.605 50 0 DJAARN CCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000000442830 563447475 /nfs/dbraw/zinc/44/74/75/563447475.db2.gz GPHCDOUDJMEAST-UHFFFAOYSA-N 0 0 318.298 4.985 50 0 DJAARN CCc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccccc1OC)N2 ZINC000035360421 563450599 /nfs/dbraw/zinc/45/05/99/563450599.db2.gz JSDGFFUVLZVHDB-ORYQWCPZSA-N 0 0 323.436 4.892 50 0 DJAARN Cc1ccc2cc(-c3noc(-c4ccccc4)n3)c(Cl)nc2c1 ZINC000034927103 563451910 /nfs/dbraw/zinc/45/19/10/563451910.db2.gz LUTZXISGFRRTKI-UHFFFAOYSA-N 0 0 321.767 4.914 50 0 DJAARN Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccccc2)cc1 ZINC000035561703 563453479 /nfs/dbraw/zinc/45/34/79/563453479.db2.gz DJNDMDINCOQGRE-FQEVSTJZSA-N 0 0 322.452 4.822 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1C ZINC000036620305 563455437 /nfs/dbraw/zinc/45/54/37/563455437.db2.gz IGAGFILIROXJRI-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000036620698 563455785 /nfs/dbraw/zinc/45/57/85/563455785.db2.gz XGEGJNBSBFVLOT-KRWDZBQOSA-N 0 0 316.351 4.642 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ccccc1F ZINC000036620587 563455946 /nfs/dbraw/zinc/45/59/46/563455946.db2.gz JUEMJTVJGWNUSP-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1C ZINC000036621130 563455992 /nfs/dbraw/zinc/45/59/92/563455992.db2.gz HYTBLBJINZKDCE-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1ccccc1F ZINC000036620588 563456153 /nfs/dbraw/zinc/45/61/53/563456153.db2.gz JUEMJTVJGWNUSP-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1cccc(C)c1O[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000033004187 563461566 /nfs/dbraw/zinc/46/15/66/563461566.db2.gz DMSSDJUXYKGDKG-GFCCVEGCSA-N 0 0 300.789 4.973 50 0 DJAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1 ZINC000013545419 563465911 /nfs/dbraw/zinc/46/59/11/563465911.db2.gz YFBGSSUAQFXIQK-HNNXBMFYSA-N 0 0 310.466 4.684 50 0 DJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2Cl)s1 ZINC000033049092 563477588 /nfs/dbraw/zinc/47/75/88/563477588.db2.gz JZQLLWRFUWAEKB-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN Cc1sc(CC(=O)Nc2ccccc2C)nc1-c1ccccc1 ZINC000011179673 563478716 /nfs/dbraw/zinc/47/87/16/563478716.db2.gz LNYZQQRWRGINIS-UHFFFAOYSA-N 0 0 322.433 4.608 50 0 DJAARN O=C(Nc1sc2ccccc2c1Cl)OCC(F)(F)F ZINC000068592324 563495092 /nfs/dbraw/zinc/49/50/92/563495092.db2.gz NMHCLVKHPLSXKA-UHFFFAOYSA-N 0 0 309.696 4.666 50 0 DJAARN CC(C)c1ccc([C@@H](C)NC(=O)c2cc3ccccn3c2)cc1 ZINC000033138729 563497234 /nfs/dbraw/zinc/49/72/34/563497234.db2.gz FBMYVHIYHYQALB-OAHLLOKOSA-N 0 0 306.409 4.554 50 0 DJAARN CC1(C)c2ccccc2-c2ccc(I)cc21 ZINC000071257444 563498571 /nfs/dbraw/zinc/49/85/71/563498571.db2.gz DVLSJPCXPNKPRJ-UHFFFAOYSA-N 0 0 320.173 4.598 50 0 DJAARN C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000033193459 563500680 /nfs/dbraw/zinc/50/06/80/563500680.db2.gz PUNXNGRMEXMUSH-ZETCQYMHSA-N 0 0 318.200 4.685 50 0 DJAARN Cc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 ZINC000033255363 563502821 /nfs/dbraw/zinc/50/28/21/563502821.db2.gz NCSUUIGZRWIXDB-UHFFFAOYSA-N 0 0 319.408 4.702 50 0 DJAARN CC(=O)N(C)c1cccc(N[C@H](C)c2cc3ccccc3o2)c1 ZINC000097045707 563504403 /nfs/dbraw/zinc/50/44/03/563504403.db2.gz BFAKUYKPPJNDSY-CYBMUJFWSA-N 0 0 308.381 4.589 50 0 DJAARN Cc1ccc2nc(N3CCC[C@H](C)C3)nc(-c3ccccc3)c2c1 ZINC000097105901 563505221 /nfs/dbraw/zinc/50/52/21/563505221.db2.gz VAZLFMPXWHNLLK-INIZCTEOSA-N 0 0 317.436 4.842 50 0 DJAARN Cc1cccc(C(=O)Nc2c3ccccc3nc(C)c2C(C)C)n1 ZINC000097104289 563505595 /nfs/dbraw/zinc/50/55/95/563505595.db2.gz KGCPYRMYJPJPPP-UHFFFAOYSA-N 0 0 319.408 4.622 50 0 DJAARN O=C(CSC1CCCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000000041513 563508248 /nfs/dbraw/zinc/50/82/48/563508248.db2.gz SJEWTVOKDQUACJ-UHFFFAOYSA-N 0 0 318.269 4.998 50 0 DJAARN c1cnc2c(c1)cccc2Oc1ncnc2sc3c(c21)CCC3 ZINC000000038294 563508460 /nfs/dbraw/zinc/50/84/60/563508460.db2.gz YMJMOOGLURHXDU-UHFFFAOYSA-N 0 0 319.389 4.521 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)Cc3ccccc3C)n2)cc1 ZINC000023119002 563513715 /nfs/dbraw/zinc/51/37/15/563513715.db2.gz KVMKJPJRTMEDQE-UHFFFAOYSA-N 0 0 322.433 4.608 50 0 DJAARN CC[C@@](C)(O)CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000004731164 563517352 /nfs/dbraw/zinc/51/73/52/563517352.db2.gz VWPNQCLIQCRCCG-GRLGQGAKSA-N 0 0 310.522 4.921 50 0 biogenic DJAARN COc1ccc(NC(=O)/C=C\c2c(Cl)cccc2Cl)cc1 ZINC000033289571 563518407 /nfs/dbraw/zinc/51/84/07/563518407.db2.gz HUKNFUHBJVTQTQ-KTKRTIGZSA-N 0 0 322.191 4.654 50 0 DJAARN COc1ccc(/C=C\C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000033289381 563518696 /nfs/dbraw/zinc/51/86/96/563518696.db2.gz WPQVXHJLNQTJGX-RAXLEYEMSA-N 0 0 309.409 4.779 50 0 DJAARN O=C(/C=C\c1cccs1)Nc1nc2ccc(Cl)cc2s1 ZINC000033317279 563520049 /nfs/dbraw/zinc/52/00/49/563520049.db2.gz GUMSSTMAUKMPPI-XQRVVYSFSA-N 0 0 320.826 4.663 50 0 DJAARN Cc1ccc(NC(=O)C2=Cc3ccc(C)cc3OC=C2)c(C)c1 ZINC000033321285 563521172 /nfs/dbraw/zinc/52/11/72/563521172.db2.gz LQMUHWPTUVSZLA-UHFFFAOYSA-N 0 0 305.377 4.540 50 0 DJAARN CC(C)c1cc2c(c(C(C)C)c1)O[C@@](C)(c1ccccc1)NC2=O ZINC000585152516 563522733 /nfs/dbraw/zinc/52/27/33/563522733.db2.gz WXLJHYCXJLPDHC-NRFANRHFSA-N 0 0 323.436 4.929 50 0 DJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccccc1 ZINC000000071907 563522863 /nfs/dbraw/zinc/52/28/63/563522863.db2.gz DEFVNVNONGGPJR-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN CCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccccc1 ZINC000000075433 563523515 /nfs/dbraw/zinc/52/35/15/563523515.db2.gz TZGOMZUKGHOHOR-UHFFFAOYSA-N 0 0 309.287 4.846 50 0 DJAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cccnc1 ZINC000011512508 563528182 /nfs/dbraw/zinc/52/81/82/563528182.db2.gz QGKIRLAZDKFKEN-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN O=C(COc1cccc(Cl)c1)Nc1cccc2ccccc21 ZINC000000094147 563528366 /nfs/dbraw/zinc/52/83/66/563528366.db2.gz DMGJFUIUIPWHPZ-UHFFFAOYSA-N 0 0 311.768 4.511 50 0 DJAARN FC(F)(F)Oc1c(Cl)cc(Br)cc1Cl ZINC000095215491 563529146 /nfs/dbraw/zinc/52/91/46/563529146.db2.gz AOXSWZIJQSPEEI-UHFFFAOYSA-N 0 0 309.896 4.655 50 0 DJAARN Cc1nnc(-c2ccccc2-c2ccc(F)c(C(F)(F)F)c2)o1 ZINC000096166865 563534878 /nfs/dbraw/zinc/53/48/78/563534878.db2.gz QILYCPNRDZZSOV-UHFFFAOYSA-N 0 0 322.261 4.870 50 0 DJAARN CC(C)(C)c1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000096191864 563535649 /nfs/dbraw/zinc/53/56/49/563535649.db2.gz AMHRXUWWEUILHZ-UHFFFAOYSA-N 0 0 316.832 4.959 50 0 DJAARN Cc1cc2cccc(C(=O)N3CCCC[C@H]3c3cccnc3)c2o1 ZINC000097360240 563538598 /nfs/dbraw/zinc/53/85/98/563538598.db2.gz CFZOLAIIKNJTHF-SFHVURJKSA-N 0 0 320.392 4.504 50 0 DJAARN Cc1cc([C@H]2CCCCN2Cc2ccc(F)cc2Cl)no1 ZINC000097681889 563542010 /nfs/dbraw/zinc/54/20/10/563542010.db2.gz CZPUBYHSIVHZJV-MRXNPFEDSA-N 0 0 308.784 4.503 50 0 DJAARN CC(=O)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1C ZINC000098087278 563543875 /nfs/dbraw/zinc/54/38/75/563543875.db2.gz PTNDQYLLFVQQNE-UHFFFAOYSA-N 0 0 308.381 4.885 50 0 DJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000098072786 563543983 /nfs/dbraw/zinc/54/39/83/563543983.db2.gz QUOTWMXMCSTZKY-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN CC(C)(C)OC(=O)Nc1c(Br)ccc(Cl)c1F ZINC000098211094 563544496 /nfs/dbraw/zinc/54/44/96/563544496.db2.gz APZIRQJSBLFXOZ-UHFFFAOYSA-N 0 0 324.577 4.589 50 0 DJAARN CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000014258073 563565642 /nfs/dbraw/zinc/56/56/42/563565642.db2.gz CXKAQYYYIIROFT-UHFFFAOYSA-N 0 0 312.344 4.619 50 0 DJAARN Cc1cc(OCc2nc(-c3cccs3)no2)cc(C)c1Cl ZINC000000118854 563570795 /nfs/dbraw/zinc/57/07/95/563570795.db2.gz AVJQHBLYQVIAGT-UHFFFAOYSA-N 0 0 320.801 4.647 50 0 DJAARN C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@H]2CCCC[C@@H]12 ZINC000247856823 563572475 /nfs/dbraw/zinc/57/24/75/563572475.db2.gz XWEBGPXGDINQEI-NJAFHUGGSA-N 0 0 310.441 4.742 50 0 DJAARN Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccncc1 ZINC000000141257 563572585 /nfs/dbraw/zinc/57/25/85/563572585.db2.gz ZHSXKDYZIMWDFM-QGZVFWFLSA-N 0 0 320.421 4.529 50 0 DJAARN Cc1ccc(-n2ncnc2-c2ccc(Cl)cc2)cc1Cl ZINC000000180941 563575743 /nfs/dbraw/zinc/57/57/43/563575743.db2.gz MWTUPHJRLYSQBS-UHFFFAOYSA-N 0 0 304.180 4.550 50 0 DJAARN Cc1ccc(-c2nc3ccccc3c(N3CCC(C)CC3)n2)cc1 ZINC000000215603 563578411 /nfs/dbraw/zinc/57/84/11/563578411.db2.gz YMRSCINOLOFICX-UHFFFAOYSA-N 0 0 317.436 4.842 50 0 DJAARN O=C(Nc1c2ccccc2nc2c1CCCC2)c1ccccc1F ZINC000000211892 563578721 /nfs/dbraw/zinc/57/87/21/563578721.db2.gz XKOKGXPVEQGWLS-UHFFFAOYSA-N 0 0 320.367 4.505 50 0 DJAARN CC(C)(C)/N=c1\scc(-c2ccccc2)n1Cc1ccccc1 ZINC000000230280 563579596 /nfs/dbraw/zinc/57/95/96/563579596.db2.gz XWSYFZNYGKYISB-VZCXRCSSSA-N 0 0 322.477 4.964 50 0 DJAARN Cc1cc(Br)ccc1NC(=O)C1CCC(C)CC1 ZINC000000241665 563581239 /nfs/dbraw/zinc/58/12/39/563581239.db2.gz XCTCVCAQOUBGDP-UHFFFAOYSA-N 0 0 310.235 4.522 50 0 DJAARN Cc1ccc2nc(-c3ccc(NC(=O)C(C)C)cc3)sc2c1 ZINC000000247591 563581588 /nfs/dbraw/zinc/58/15/88/563581588.db2.gz JXUWBUJQYHEUDJ-UHFFFAOYSA-N 0 0 310.422 4.866 50 0 DJAARN COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000258830 563582946 /nfs/dbraw/zinc/58/29/46/563582946.db2.gz SGOOCRXTMWSTKF-RUDMXATFSA-N 0 0 322.191 4.654 50 0 biogenic DJAARN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000258810 563583041 /nfs/dbraw/zinc/58/30/41/563583041.db2.gz RWIRXHDXDFNTQI-RUDMXATFSA-N 0 0 322.191 4.654 50 0 biogenic DJAARN Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1C ZINC000000363146 563590744 /nfs/dbraw/zinc/59/07/44/563590744.db2.gz XXMHBNHMVOLWIA-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Fc1ccc(NC=Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100324214 563592440 /nfs/dbraw/zinc/59/24/40/563592440.db2.gz NXNMKQXVAFRTGQ-AATRIKPKSA-N 0 0 316.685 4.976 50 0 DJAARN COC(=O)c1cc(Nc2cc(C)cc(C)c2)c2cccc(F)c2n1 ZINC000038486819 563598015 /nfs/dbraw/zinc/59/80/15/563598015.db2.gz MSWFHSACPFBXOS-UHFFFAOYSA-N 0 0 324.355 4.521 50 0 DJAARN CCCCCCn1c2ccccc2c(O)c(-c2ccccc2)c1=O ZINC000100710396 563599590 /nfs/dbraw/zinc/59/95/90/563599590.db2.gz HCJIEHCGUMIKFG-UHFFFAOYSA-N 0 0 321.420 4.954 50 0 DJAARN COc1ccc(-c2cc(Nc3ccc(C)cc3)nc(C)n2)cc1 ZINC000011907657 563601469 /nfs/dbraw/zinc/60/14/69/563601469.db2.gz RLOQZBSOLSIOCH-UHFFFAOYSA-N 0 0 305.381 4.513 50 0 DJAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2)cc1 ZINC000011916248 563601792 /nfs/dbraw/zinc/60/17/92/563601792.db2.gz NEDAPXNUQSJWDD-UHFFFAOYSA-N 0 0 323.417 4.604 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c(C)c1 ZINC000011916868 563602216 /nfs/dbraw/zinc/60/22/16/563602216.db2.gz LCTXHWUKHSSALK-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1Cl ZINC000011916719 563602300 /nfs/dbraw/zinc/60/23/00/563602300.db2.gz YMLRYKBEDZNXSA-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000411321 563611572 /nfs/dbraw/zinc/61/15/72/563611572.db2.gz QDSBXHVDWCMLJV-UHFFFAOYSA-N 0 0 311.388 4.910 50 0 DJAARN CCOc1ccc(-c2cn(-c3ccc(F)cc3)c(=S)[nH]2)cc1 ZINC000000424434 563612076 /nfs/dbraw/zinc/61/20/76/563612076.db2.gz WXFYJVOKXATCGU-UHFFFAOYSA-N 0 0 314.385 4.740 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)cc1 ZINC000000431356 563614695 /nfs/dbraw/zinc/61/46/95/563614695.db2.gz BAXVFRKYXMJMGQ-INIZCTEOSA-N 0 0 321.804 4.566 50 0 DJAARN Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccccc1 ZINC000002621781 563621468 /nfs/dbraw/zinc/62/14/68/563621468.db2.gz PUTXEAFAFVVCPL-UHFFFAOYSA-N 0 0 322.433 4.690 50 0 DJAARN Cc1ccc(C)c(OCCC(=O)Nc2cccc3ccccc32)c1 ZINC000002660571 563621658 /nfs/dbraw/zinc/62/16/58/563621658.db2.gz BGAKRHXFODGLBC-UHFFFAOYSA-N 0 0 319.404 4.864 50 0 DJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1CCCC2 ZINC000003241583 563622053 /nfs/dbraw/zinc/62/20/53/563622053.db2.gz PEGDTMNKYMLKOZ-JLHYYAGUSA-N 0 0 311.812 4.871 50 0 DJAARN CCCCNC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003135807 563625388 /nfs/dbraw/zinc/62/53/88/563625388.db2.gz GNUYPVSAUXZCAY-UHFFFAOYSA-N 0 0 312.369 4.516 50 0 DJAARN Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 ZINC000000184010 563628013 /nfs/dbraw/zinc/62/80/13/563628013.db2.gz CAOKMGXJEUXVEV-UHFFFAOYSA-N 0 0 306.843 4.824 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000000146469 563628258 /nfs/dbraw/zinc/62/82/58/563628258.db2.gz OKQQVABQAXPORN-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN CC(=O)c1cccc(NC(=O)Nc2cccc3ccccc32)c1 ZINC000000276250 563629296 /nfs/dbraw/zinc/62/92/96/563629296.db2.gz XITKFOCCWURCFV-UHFFFAOYSA-N 0 0 304.349 4.686 50 0 DJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000000505809 563629723 /nfs/dbraw/zinc/62/97/23/563629723.db2.gz OFOQQXWOICEKKR-HNNXBMFYSA-N 0 0 311.425 4.834 50 0 DJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 ZINC000000505777 563629825 /nfs/dbraw/zinc/62/98/25/563629825.db2.gz BKZDTMRUGVJKCA-AWEZNQCLSA-N 0 0 311.425 4.834 50 0 DJAARN Clc1cc2[nH]c(C(Cl)(Cl)Cl)nc2c(Cl)c1 ZINC000000346849 563629886 /nfs/dbraw/zinc/62/98/86/563629886.db2.gz NXCKYOGSYXCXGW-UHFFFAOYSA-N 0 0 304.391 4.696 50 0 DJAARN CCC(C)(C)c1ccc(OCC(=O)c2ccc(F)cc2)cc1 ZINC000000474309 563630920 /nfs/dbraw/zinc/63/09/20/563630920.db2.gz IGUOPFREWMPMRQ-UHFFFAOYSA-N 0 0 300.373 4.775 50 0 DJAARN CCc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1 ZINC000000568399 563631170 /nfs/dbraw/zinc/63/11/70/563631170.db2.gz BJIADLNXTJCMLF-UHFFFAOYSA-N 0 0 310.441 4.656 50 0 DJAARN COc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000000477495 563631189 /nfs/dbraw/zinc/63/11/89/563631189.db2.gz VOINDMULONLDBV-UHFFFAOYSA-N 0 0 305.164 4.612 50 0 DJAARN FC(F)(F)c1cccc(NC(=S)NC2CCCCCC2)c1 ZINC000000612227 563631730 /nfs/dbraw/zinc/63/17/30/563631730.db2.gz ZPKJOQCYCPDWND-UHFFFAOYSA-N 0 0 316.392 4.715 50 0 DJAARN Cc1cc(C)c2sc(NC(=O)CCC3CCCCC3)nc2n1 ZINC000011666322 563650254 /nfs/dbraw/zinc/65/02/54/563650254.db2.gz UTZIJJHJCMDNLK-UHFFFAOYSA-N 0 0 317.458 4.607 50 0 DJAARN CCc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 ZINC000000491141 563650353 /nfs/dbraw/zinc/65/03/53/563650353.db2.gz RFTWUXJLUHSONV-UHFFFAOYSA-N 0 0 320.344 4.777 50 0 biogenic DJAARN Brc1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000018192754 563652997 /nfs/dbraw/zinc/65/29/97/563652997.db2.gz KQKZBILGPDPYLZ-UHFFFAOYSA-N 0 0 300.155 4.771 50 0 DJAARN Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2C)c1 ZINC000000505715 563656032 /nfs/dbraw/zinc/65/60/32/563656032.db2.gz CSCLQIMIYRSZPN-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN Cc1c2ccc(O)cc2oc1C(=O)Cc1cc2ccccc2o1 ZINC000000518480 563661906 /nfs/dbraw/zinc/66/19/06/563661906.db2.gz RLPWBCKTFSWUKX-UHFFFAOYSA-N 0 0 306.317 4.618 50 0 biogenic DJAARN CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 ZINC000000521150 563664131 /nfs/dbraw/zinc/66/41/31/563664131.db2.gz LGLGOXAOBAAHJG-UHFFFAOYSA-N 0 0 315.467 4.574 50 0 DJAARN Cc1cccc(NC(=O)C[C@@H](c2ccco2)c2ccc(F)cc2)c1 ZINC000000521141 563664146 /nfs/dbraw/zinc/66/41/46/563664146.db2.gz NMLXJMKFGIIHCG-GOSISDBHSA-N 0 0 323.367 4.888 50 0 DJAARN CCCN(CCC)C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000536255 563667421 /nfs/dbraw/zinc/66/74/21/563667421.db2.gz ZCFZUWYERLRTCE-UHFFFAOYSA-N 0 0 320.820 4.566 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2cc(F)ccc2n1 ZINC000000542669 563668268 /nfs/dbraw/zinc/66/82/68/563668268.db2.gz RXYSBYJZRCHAJI-UHFFFAOYSA-N 0 0 314.747 4.588 50 0 DJAARN CCOc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000000541657 563668323 /nfs/dbraw/zinc/66/83/23/563668323.db2.gz OYDAXUYGICTJEN-UHFFFAOYSA-N 0 0 314.768 4.821 50 0 DJAARN Cc1cc(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12 ZINC000000544703 563668892 /nfs/dbraw/zinc/66/88/92/563668892.db2.gz QNQRMZDORAYZSJ-UHFFFAOYSA-N 0 0 314.768 4.642 50 0 DJAARN Cc1ccc(NC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000000550846 563669994 /nfs/dbraw/zinc/66/99/94/563669994.db2.gz YWPBJYJWYPMDQD-UHFFFAOYSA-N 0 0 316.430 4.538 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2cccc3cccnc32)cc1 ZINC000000556588 563670417 /nfs/dbraw/zinc/67/04/17/563670417.db2.gz SEHSLTZRUTVCLZ-UHFFFAOYSA-N 0 0 304.393 4.785 50 0 DJAARN CCn1c(SCc2ccc(F)cc2)nnc1C1CCCCC1 ZINC000000560823 563670960 /nfs/dbraw/zinc/67/09/60/563670960.db2.gz OVYNSUFQDKJYCV-UHFFFAOYSA-N 0 0 319.449 4.777 50 0 DJAARN Cc1cccc(NC(=O)CSCc2ccccc2Cl)c1C ZINC000000567291 563671316 /nfs/dbraw/zinc/67/13/16/563671316.db2.gz SNPWLBWLSSSKIO-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN Cc1cc2sc(NC(=O)c3ccc(Cl)s3)nc2c(C)c1 ZINC000000567809 563671416 /nfs/dbraw/zinc/67/14/16/563671416.db2.gz UELJLEXONZAFJI-UHFFFAOYSA-N 0 0 322.842 4.880 50 0 DJAARN Cc1cc(C)cc(OCC(=O)Sc2ccc(Cl)cc2)c1 ZINC000000572295 563673243 /nfs/dbraw/zinc/67/32/43/563673243.db2.gz AFULZEZEWGRNTJ-UHFFFAOYSA-N 0 0 306.814 4.655 50 0 DJAARN O=C(Nc1ccccc1SCC(F)(F)F)c1ccccc1 ZINC000014900880 563673248 /nfs/dbraw/zinc/67/32/48/563673248.db2.gz IMIGVCPDTXBIJZ-UHFFFAOYSA-N 0 0 311.328 4.593 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)n[nH]2)cc1 ZINC000044837590 563685198 /nfs/dbraw/zinc/68/51/98/563685198.db2.gz VPMYXAWXTZTUOY-UHFFFAOYSA-N 0 0 319.408 4.563 50 0 DJAARN CCc1ccc(NC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000044844899 563685666 /nfs/dbraw/zinc/68/56/66/563685666.db2.gz CPXGKSTUQOYGGN-UHFFFAOYSA-N 0 0 304.777 4.555 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1Cl ZINC000044845091 563685744 /nfs/dbraw/zinc/68/57/44/563685744.db2.gz DIXBPMJMMPRBOM-UHFFFAOYSA-N 0 0 300.789 4.781 50 0 DJAARN CC[C@H](c1ccccc1)[S@@](=O)[C@H](C)c1c(F)cccc1F ZINC000108351937 563688242 /nfs/dbraw/zinc/68/82/42/563688242.db2.gz ZOBKMYLPMBHCLW-YDZGXFTCSA-N 0 0 308.393 4.926 50 0 DJAARN Cc1cc(F)ccc1NC(=O)Nc1cccc(Br)c1 ZINC000051354364 563690489 /nfs/dbraw/zinc/69/04/89/563690489.db2.gz ZDOORROABHRYQI-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN CCc1cccc(NC(=O)Nc2cccc(Br)c2)c1 ZINC000051354320 563690581 /nfs/dbraw/zinc/69/05/81/563690581.db2.gz UCBHWJHSNFOWLE-UHFFFAOYSA-N 0 0 319.202 4.656 50 0 DJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000046018467 563691610 /nfs/dbraw/zinc/69/16/10/563691610.db2.gz XRYHDVABZJZANO-GOSISDBHSA-N 0 0 324.424 4.681 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000046018445 563691782 /nfs/dbraw/zinc/69/17/82/563691782.db2.gz GPZZXEFPECQMBJ-IBGZPJMESA-N 0 0 308.425 4.926 50 0 DJAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000046018330 563691804 /nfs/dbraw/zinc/69/18/04/563691804.db2.gz YOCADHACQKVUAB-GOSISDBHSA-N 0 0 324.424 4.763 50 0 DJAARN Cc1csc(SCc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000047831935 563692714 /nfs/dbraw/zinc/69/27/14/563692714.db2.gz CWUAJLWWPYWNII-UHFFFAOYSA-N 0 0 306.387 4.538 50 0 DJAARN Clc1ccc(Cl)c(NCc2nnc(-c3ccccc3)o2)c1 ZINC000048132424 563693429 /nfs/dbraw/zinc/69/34/29/563693429.db2.gz NWZLVMGDSDIFGJ-UHFFFAOYSA-N 0 0 320.179 4.656 50 0 DJAARN CCN(Cc1ccco1)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000048287522 563695072 /nfs/dbraw/zinc/69/50/72/563695072.db2.gz YZRJXEFJQJNHCT-UHFFFAOYSA-N 0 0 310.397 4.547 50 0 DJAARN CC1(C)CN(C(=O)c2ccc(Cl)cc2F)[C@H]1c1ccccc1 ZINC000048325703 563696319 /nfs/dbraw/zinc/69/63/19/563696319.db2.gz KAZGEBWETCKGTE-INIZCTEOSA-N 0 0 317.791 4.702 50 0 DJAARN C[C@H]1CCN(C(=O)[C@H]2CC=CCC2)c2cc(Cl)ccc2S1 ZINC000048343619 563697010 /nfs/dbraw/zinc/69/70/10/563697010.db2.gz MCXGBEOWCIZLSV-STQMWFEESA-N 0 0 321.873 4.914 50 0 DJAARN C[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)c2cc(Cl)ccc2S1 ZINC000048343623 563697119 /nfs/dbraw/zinc/69/71/19/563697119.db2.gz MCXGBEOWCIZLSV-QWHCGFSZSA-N 0 0 321.873 4.914 50 0 DJAARN FC(F)(F)c1ccccc1Nc1nc(-c2ccccn2)cs1 ZINC000000612406 563699134 /nfs/dbraw/zinc/69/91/34/563699134.db2.gz BXCZBPDHCBIHDV-UHFFFAOYSA-N 0 0 321.327 4.968 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563882032 /nfs/dbraw/zinc/88/20/32/563882032.db2.gz DXEVUBWTFVQQLX-NXEZZACHSA-N 0 0 319.392 4.551 50 0 DJAARN CCn1ccc2cc(CCC(=O)Nc3ccccc3C)ccc21 ZINC000075550613 563883797 /nfs/dbraw/zinc/88/37/97/563883797.db2.gz TZQVVDFWBPBNQO-UHFFFAOYSA-N 0 0 306.409 4.541 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497615 563884316 /nfs/dbraw/zinc/88/43/16/563884316.db2.gz XMRPGKVKISIQBV-NOULKFBDSA-N 0 0 316.485 4.803 50 0 DJAARN Cc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc1C ZINC000001945805 563886087 /nfs/dbraw/zinc/88/60/87/563886087.db2.gz KSYLZQHUILPZOL-JXMROGBWSA-N 0 0 300.427 4.535 50 0 DJAARN CCCCC(=O)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 ZINC000001920354 563886175 /nfs/dbraw/zinc/88/61/75/563886175.db2.gz SYPVULYAQZSVPU-XNTDXEJSSA-N 0 0 308.377 4.678 50 0 biogenic DJAARN CC1=C[C@@H](C)C2(COC(CCc3ccccc3)OC2)[C@@H](C)C1 ZINC000001189422 563887361 /nfs/dbraw/zinc/88/73/61/563887361.db2.gz AJGPBQYWOGYCGN-WSCVDHEUSA-N 0 0 300.442 4.601 50 0 biogenic DJAARN C[C@@H](Oc1ccc2ccccc2c1)c1nnc([C@H]2CCCCO2)o1 ZINC000521393868 563887908 /nfs/dbraw/zinc/88/79/08/563887908.db2.gz BNUXJIBEMKRKBI-CXAGYDPISA-N 0 0 324.380 4.604 50 0 DJAARN O=C1C[C@H](c2ccccc2)c2ncn(-c3ccccc3Cl)c2N1 ZINC000036354050 563895802 /nfs/dbraw/zinc/89/58/02/563895802.db2.gz IODRMUGMDLLCTK-CYBMUJFWSA-N 0 0 323.783 4.649 50 0 DJAARN Cc1nnc(SCc2ccccc2)c2cc3sccc3n21 ZINC000006893838 563898770 /nfs/dbraw/zinc/89/87/70/563898770.db2.gz JQCOXTCSBAHAAQ-UHFFFAOYSA-N 0 0 311.435 4.545 50 0 DJAARN c1ccc(-c2nc3cc(-c4noc(C5CCC5)n4)ccc3o2)cc1 ZINC000065149819 563899627 /nfs/dbraw/zinc/89/96/27/563899627.db2.gz HAMXMGPHPBYLDS-UHFFFAOYSA-N 0 0 317.348 4.812 50 0 DJAARN CCN(C(=O)c1cc(C)cc(C)c1)c1nc2c(cccc2C)s1 ZINC000006933599 563899671 /nfs/dbraw/zinc/89/96/71/563899671.db2.gz CRJYEGKDIBPMEM-UHFFFAOYSA-N 0 0 324.449 4.888 50 0 DJAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000006946482 563900199 /nfs/dbraw/zinc/90/01/99/563900199.db2.gz ZZIHZZUZVDZUAQ-UHFFFAOYSA-N 0 0 315.800 4.558 50 0 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CCc1ccc([C@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013320042 563909554 /nfs/dbraw/zinc/90/95/54/563909554.db2.gz GFYKLIDKSIBELH-ZDUSSCGKSA-N 0 0 314.454 4.854 50 0 DJAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC)[C@@]3(C)CC[C@H]21 ZINC000027089773 563912959 /nfs/dbraw/zinc/91/29/59/563912959.db2.gz UJVDXOJUUSHVJY-SLHNCBLASA-N 0 0 300.442 4.566 50 0 DJAARN Cc1ccc2cccc(OCCOc3ccc(C)c(C)c3)c2n1 ZINC000002825427 563913033 /nfs/dbraw/zinc/91/30/33/563913033.db2.gz GGARUVUBLMKWBS-UHFFFAOYSA-N 0 0 307.393 4.618 50 0 DJAARN C[C@@H]1CCC[C@H](C)N(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000170639050 563913838 /nfs/dbraw/zinc/91/38/38/563913838.db2.gz APUTVOPWWLJLEB-CABCVRRESA-N 0 0 320.436 4.972 50 0 DJAARN Cc1cc2cc(NC(=O)/C=C\c3ccc([C@@H]4C[C@H]4C)o3)ccc2[nH]1 ZINC000252457275 563915070 /nfs/dbraw/zinc/91/50/70/563915070.db2.gz SSHCAGAIFOHMOQ-SFIFLEQKSA-N 0 0 320.392 4.845 50 0 DJAARN Cc1cccc(NC(=O)c2c3ccccc3nc3c2CCCC3)c1 ZINC000000264453 563915511 /nfs/dbraw/zinc/91/55/11/563915511.db2.gz 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/nfs/dbraw/zinc/91/95/47/563919547.db2.gz ROBDYPVGKAOPPZ-LFYGLDEFSA-N 0 0 320.388 4.759 50 0 DJAARN CN(C(=O)c1ccnc2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000195590052 563919874 /nfs/dbraw/zinc/91/98/74/563919874.db2.gz WRRDRLLNZUQLTP-UHFFFAOYSA-N 0 0 318.420 4.809 50 0 DJAARN Cc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1Cl ZINC000000133702 563920558 /nfs/dbraw/zinc/92/05/58/563920558.db2.gz YCRJRKZLFQPWKH-VQHVLOKHSA-N 0 0 306.192 4.954 50 0 DJAARN COc1cccc2c1CC[C@@H]1[C@H]2CCC2=C(C)C(=O)CC[C@@]21C ZINC000019865471 563923670 /nfs/dbraw/zinc/92/36/70/563923670.db2.gz PCOHITLOWVXTHW-KLHJMIIUSA-N 0 0 310.437 4.821 50 0 DJAARN COP(=O)(OC)[C@@H](Nc1cc(C)ccc1C)c1ccccc1 ZINC000002317106 563925829 /nfs/dbraw/zinc/92/58/29/563925829.db2.gz RNSUQKNCYFOJJT-QGZVFWFLSA-N 0 0 319.341 4.900 50 0 DJAARN CCCCOP(=O)(OCCCC)[C@@H](O)c1ccc(F)cc1 ZINC000002332187 563926213 /nfs/dbraw/zinc/92/62/13/563926213.db2.gz HMBAYGCWPDNUAR-OAHLLOKOSA-N 0 0 318.325 4.643 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CS1 ZINC000253499217 563926391 /nfs/dbraw/zinc/92/63/91/563926391.db2.gz DBMAUQKFWFYPTE-DSWGTCOTSA-N 0 0 318.526 4.796 50 0 biogenic DJAARN FC(F)(F)c1cc(Cl)c2nnc(/C=C/c3ccccc3)n2c1 ZINC000008925786 563927462 /nfs/dbraw/zinc/92/74/62/563927462.db2.gz BWLZUNQBGJWGBS-VOTSOKGWSA-N 0 0 323.705 4.572 50 0 DJAARN CCCCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C ZINC000002394960 563927830 /nfs/dbraw/zinc/92/78/30/563927830.db2.gz GGTCFHJIBCCRIN-UHFFFAOYSA-N 0 0 320.436 4.735 50 0 DJAARN CCCCCCNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000002408442 563927851 /nfs/dbraw/zinc/92/78/51/563927851.db2.gz ZXOYAVKLTWGCJG-UHFFFAOYSA-N 0 0 302.809 4.757 50 0 DJAARN O=C(/C=C/c1ccsc1)NC1c2ccccc2-c2ccccc21 ZINC000010218829 563927911 /nfs/dbraw/zinc/92/79/11/563927911.db2.gz ZGKLKPXQQVTVET-MDZDMXLPSA-N 0 0 317.413 4.648 50 0 DJAARN CSc1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000007945068 563928975 /nfs/dbraw/zinc/92/89/75/563928975.db2.gz CCTHNMKOPOXDQX-UHFFFAOYSA-N 0 0 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313.441 4.619 50 0 DJAARN CC(C)c1cc(CN[C@H](C)c2cc(Cl)cc(Cl)c2)on1 ZINC000095968044 563933073 /nfs/dbraw/zinc/93/30/73/563933073.db2.gz SASZBADDPSKKHW-SNVBAGLBSA-N 0 0 313.228 4.956 50 0 DJAARN C[C@H](c1ccc(C(F)(F)F)cc1)[S@@](=O)c1cccs1 ZINC000095971729 563933432 /nfs/dbraw/zinc/93/34/32/563933432.db2.gz GIHVYPRKMZUQCN-HOGDKLEQSA-N 0 0 304.358 4.636 50 0 DJAARN C/C=C\c1ccc(OCc2coc(-c3ccccc3)n2)c(OC)c1 ZINC000096117659 563935526 /nfs/dbraw/zinc/93/55/26/563935526.db2.gz XEFHARZXSBJZHA-CLTKARDFSA-N 0 0 321.376 4.962 50 0 DJAARN COc1ccc(Nc2nc(-c3cc(C)oc3C)cs2)cc1F ZINC000096124478 563935649 /nfs/dbraw/zinc/93/56/49/563935649.db2.gz FYAGJVIJRPJXGG-UHFFFAOYSA-N 0 0 318.373 4.911 50 0 DJAARN O=C(c1ccco1)c1coc2ccc(OCc3ccccc3)cc12 ZINC000096184087 563935753 /nfs/dbraw/zinc/93/57/53/563935753.db2.gz OTDRROLOHKVXRY-UHFFFAOYSA-N 0 0 318.328 4.836 50 0 DJAARN Cc1cccc(C)c1NC(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000096543719 563937645 /nfs/dbraw/zinc/93/76/45/563937645.db2.gz IWUXUZFKOVDWMG-FLIBITNWSA-N 0 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Cc1cccc(CCC(=O)c2ccc(Br)cc2)c1C ZINC000002517435 180930921 /nfs/dbraw/zinc/93/09/21/180930921.db2.gz KTRIVWVFUGZGCB-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1nccs1 ZINC000002652444 180944708 /nfs/dbraw/zinc/94/47/08/180944708.db2.gz RGVCKBIEWPNAIJ-UHFFFAOYSA-N 0 0 308.362 4.603 50 0 DJAARN C[C@@H]1C[C@H](NC(=O)c2csc3ccccc23)CC(C)(C)C1 ZINC000002772843 180954808 /nfs/dbraw/zinc/95/48/08/180954808.db2.gz HQTYULSTMYRLOD-OLZOCXBDSA-N 0 0 301.455 4.846 50 0 DJAARN C[C@H]1CCCN(c2ncnc3sc(-c4ccccc4)cc32)C1 ZINC000002875213 180966125 /nfs/dbraw/zinc/96/61/25/180966125.db2.gz AHFAMCGTTXRGJI-ZDUSSCGKSA-N 0 0 309.438 4.595 50 0 DJAARN Cc1cc2occ(CC(=O)Nc3cc(C)cc(C)c3)c2c(C)c1 ZINC000002886048 180967728 /nfs/dbraw/zinc/96/77/28/180967728.db2.gz KIOCBWFNZZWPHC-UHFFFAOYSA-N 0 0 307.393 4.848 50 0 DJAARN Cc1c2cc(F)ccc2oc1C(=O)Oc1ccccc1Cl ZINC000002890149 180968288 /nfs/dbraw/zinc/96/82/88/180968288.db2.gz VABBZJGQTGDPOA-UHFFFAOYSA-N 0 0 304.704 4.753 50 0 DJAARN COc1cccc(OCCCOc2cccc3ccccc32)c1 ZINC000002904905 180969052 /nfs/dbraw/zinc/96/90/52/180969052.db2.gz GDNCKSHCKFIYHT-UHFFFAOYSA-N 0 0 308.377 4.696 50 0 DJAARN CCCCc1cc(=O)oc2c(C)c(OCC=C(C)C)ccc12 ZINC000002986505 180974702 /nfs/dbraw/zinc/97/47/02/180974702.db2.gz DXBJXKYCTPCIDE-UHFFFAOYSA-N 0 0 300.398 4.789 50 0 biogenic DJAARN CCN(CC)c1cccc(OC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003182790 180989521 /nfs/dbraw/zinc/98/95/21/180989521.db2.gz LONRSCQYYZZBBO-UHFFFAOYSA-N 0 0 318.804 4.797 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)c1ccc2ccccc2c1 ZINC000003192528 180990469 /nfs/dbraw/zinc/99/04/69/180990469.db2.gz UWWZOWCYXCDXDW-UHFFFAOYSA-N 0 0 311.768 4.754 50 0 DJAARN CCc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000003251504 180996381 /nfs/dbraw/zinc/99/63/81/180996381.db2.gz URNXBIOQRWCCOA-UHFFFAOYSA-N 0 0 309.192 4.913 50 0 DJAARN Cc1cc2occ(CC(=O)Nc3nccs3)c2cc1C(C)C ZINC000003284101 181000096 /nfs/dbraw/zinc/00/00/96/181000096.db2.gz IUAGXTIMIFSBBC-UHFFFAOYSA-N 0 0 314.410 4.502 50 0 DJAARN O=C(CSc1cccc2cccnc21)c1cc2ccccc2o1 ZINC000003288736 181001023 /nfs/dbraw/zinc/00/10/23/181001023.db2.gz PXTZBWLKCGXRNM-UHFFFAOYSA-N 0 0 319.385 4.956 50 0 DJAARN Clc1c2ccccc2sc1-c1nnc2n1CCCCC2 ZINC000003299400 181002408 /nfs/dbraw/zinc/00/24/08/181002408.db2.gz RRSKULFYMOHAAL-UHFFFAOYSA-N 0 0 303.818 4.540 50 0 DJAARN COc1cccc(NC(=S)Nc2ccc(C(C)C)cc2)c1 ZINC000003313434 181003435 /nfs/dbraw/zinc/00/34/35/181003435.db2.gz PVNSLOQIAICIIJ-UHFFFAOYSA-N 0 0 300.427 4.628 50 0 DJAARN CCCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000003382091 181013333 /nfs/dbraw/zinc/01/33/33/181013333.db2.gz AJHLZJFASSUZNT-UHFFFAOYSA-N 0 0 303.789 4.690 50 0 DJAARN O=C(c1c(-c2ccccc2)cc2ccccn21)c1cccc(F)c1 ZINC000003333412 181006772 /nfs/dbraw/zinc/00/67/72/181006772.db2.gz QKBZVIREWHMUSS-UHFFFAOYSA-N 0 0 315.347 4.976 50 0 DJAARN C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000003336447 181007767 /nfs/dbraw/zinc/00/77/67/181007767.db2.gz GXEJOSICIKOOMV-VIFPVBQESA-N 0 0 312.171 4.624 50 0 DJAARN CCCOc1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000003340405 181008194 /nfs/dbraw/zinc/00/81/94/181008194.db2.gz NSMBOIKISRLCFW-UHFFFAOYSA-N 0 0 319.404 4.810 50 0 DJAARN C[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000003339608 181008629 /nfs/dbraw/zinc/00/86/29/181008629.db2.gz WTZKYDDQZGARLC-HNNXBMFYSA-N 0 0 319.379 4.984 50 0 DJAARN Cc1ccc(C(C)C)c(OC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000003344594 181009098 /nfs/dbraw/zinc/00/90/98/181009098.db2.gz AIFFPYSPSXEZFY-UHFFFAOYSA-N 0 0 320.335 4.939 50 0 DJAARN Cc1sc(NC(=O)C2CCCC2)nc1-c1ccc(F)c(F)c1 ZINC000003421104 181017602 /nfs/dbraw/zinc/01/76/02/181017602.db2.gz USKSASGXEDPDMC-UHFFFAOYSA-N 0 0 322.380 4.525 50 0 DJAARN CSc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000003438006 181019650 /nfs/dbraw/zinc/01/96/50/181019650.db2.gz CAINDDKOVBAACZ-UHFFFAOYSA-N 0 0 313.756 4.592 50 0 DJAARN Cc1ccc(C)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000003446094 181021124 /nfs/dbraw/zinc/02/11/24/181021124.db2.gz CHYYBKJKRXVTDW-UHFFFAOYSA-N 0 0 322.433 4.608 50 0 DJAARN CC(C)(C)c1ccc(C(=O)NCc2cccc(Cl)c2)cc1 ZINC000003451669 181021446 /nfs/dbraw/zinc/02/14/46/181021446.db2.gz SFEZFRHANKSQEQ-UHFFFAOYSA-N 0 0 301.817 4.568 50 0 DJAARN Cc1ccc2c(CC(=O)Nc3nc4ccccc4s3)coc2c1 ZINC000003528490 181030775 /nfs/dbraw/zinc/03/07/75/181030775.db2.gz RGSQJLYHKHROLF-UHFFFAOYSA-N 0 0 322.389 4.532 50 0 DJAARN O=C(Nc1ccc(SC(F)F)cc1)c1cc2ccccc2o1 ZINC000003462260 181023458 /nfs/dbraw/zinc/02/34/58/181023458.db2.gz PFSXEPVIMLVESE-UHFFFAOYSA-N 0 0 319.332 5.000 50 0 DJAARN CCOc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000003483047 181025141 /nfs/dbraw/zinc/02/51/41/181025141.db2.gz BHMJCDYMAABWNE-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CCOc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000003483044 181025327 /nfs/dbraw/zinc/02/53/27/181025327.db2.gz XFKSKDQYENQGGI-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN CSc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000003548767 181033119 /nfs/dbraw/zinc/03/31/19/181033119.db2.gz MIADAUGNFYGVRM-UHFFFAOYSA-N 0 0 311.328 4.680 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)c1cccc(OC(F)F)c1 ZINC000003553948 181033747 /nfs/dbraw/zinc/03/37/47/181033747.db2.gz PFPFZMICEGKIEM-UHFFFAOYSA-N 0 0 311.715 4.502 50 0 DJAARN CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000003557598 181034446 /nfs/dbraw/zinc/03/44/46/181034446.db2.gz XCPOCZUAOUWQKJ-CYBMUJFWSA-N 0 0 317.816 4.617 50 0 DJAARN Cc1cc(C)c(NC(=O)/C=C/c2cccc(F)c2)c(Cl)c1 ZINC000003556496 181034719 /nfs/dbraw/zinc/03/47/19/181034719.db2.gz NASKIJBARBMORH-VOTSOKGWSA-N 0 0 303.764 4.748 50 0 DJAARN Cc1cccc2sc(NC(=O)c3cc4ccccc4o3)nc21 ZINC000003558887 181034770 /nfs/dbraw/zinc/03/47/70/181034770.db2.gz XGAIMXGOJNDQTC-UHFFFAOYSA-N 0 0 308.362 4.603 50 0 DJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000003565823 181036127 /nfs/dbraw/zinc/03/61/27/181036127.db2.gz OZHXOQCRNFYDMO-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN Cc1ccc([C@H]2CCN(C(=S)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000003588529 181037938 /nfs/dbraw/zinc/03/79/38/181037938.db2.gz KBECBARQWSQSQW-SFHVURJKSA-N 0 0 324.493 4.798 50 0 DJAARN CCOP(=O)(OCC)[C@H](Nc1ccc(C)cc1)c1ccco1 ZINC000003642072 181043725 /nfs/dbraw/zinc/04/37/25/181043725.db2.gz GNTTZSCWDITSAM-INIZCTEOSA-N 0 0 323.329 4.965 50 0 DJAARN CCCCC/C=C/C(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000003666022 181044033 /nfs/dbraw/zinc/04/40/33/181044033.db2.gz AGUZFGQXEPKZLL-CMDGGOBGSA-N 0 0 318.442 4.770 50 0 DJAARN O=C(c1ccco1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000003655972 181044108 /nfs/dbraw/zinc/04/41/08/181044108.db2.gz JVMSPPYNADSTKP-UHFFFAOYSA-N 0 0 301.345 4.514 50 0 DJAARN CCCOc1cccc(NC(=O)c2cc(C(C)(C)C)oc2C)c1 ZINC000003670631 181044202 /nfs/dbraw/zinc/04/42/02/181044202.db2.gz JPBQQPYANSOPNX-UHFFFAOYSA-N 0 0 315.413 4.927 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCOc1ccccc1C(C)C ZINC000003667869 181044239 /nfs/dbraw/zinc/04/42/39/181044239.db2.gz XITQATRMWBLXPH-UHFFFAOYSA-N 0 0 300.446 4.942 50 0 DJAARN O=C1c2ccccc2-c2ccc(Br)c3cccc1c32 ZINC000003875547 181051403 /nfs/dbraw/zinc/05/14/03/181051403.db2.gz WVECFEIAZAKUNF-UHFFFAOYSA-N 0 0 309.162 4.814 50 0 DJAARN Cc1ccc(C(C)(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC000003878881 181051790 /nfs/dbraw/zinc/05/17/90/181051790.db2.gz OBPSZKFMMZUWFD-UHFFFAOYSA-N 0 0 302.421 4.514 50 0 DJAARN CC(C)NC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003895589 181053836 /nfs/dbraw/zinc/05/38/36/181053836.db2.gz FRWZYFOPVYQAPL-UHFFFAOYSA-N 0 0 313.441 4.651 50 0 DJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)CC(C)(C)C ZINC000003906529 181055601 /nfs/dbraw/zinc/05/56/01/181055601.db2.gz OPWBHPVHOVBXQQ-UHFFFAOYSA-N 0 0 321.424 4.684 50 0 DJAARN COc1ccc(C(c2ccc(C)o2)c2ccc(C)o2)cc1OC ZINC000003848486 181049015 /nfs/dbraw/zinc/04/90/15/181049015.db2.gz CZQFZCGMDNUGRJ-UHFFFAOYSA-N 0 0 312.365 4.687 50 0 DJAARN COc1ccc(-c2nnc(SC/C=C/c3ccccc3)o2)cc1 ZINC000004050277 181066886 /nfs/dbraw/zinc/06/68/86/181066886.db2.gz YEMCHKHIMXKHOJ-VMPITWQZSA-N 0 0 324.405 4.551 50 0 DJAARN Cc1nccc(Cl)c1Oc1ncc(C(F)(F)F)cc1Cl ZINC000004040638 181065774 /nfs/dbraw/zinc/06/57/74/181065774.db2.gz HIJIAYIXVGTJRY-UHFFFAOYSA-N 0 0 323.101 4.903 50 0 DJAARN Cc1nc(-c2ccc3ccccc3n2)cn1Cc1ccc(F)cc1 ZINC000004002659 181061515 /nfs/dbraw/zinc/06/15/15/181061515.db2.gz OKOIUFUZPJDVFJ-UHFFFAOYSA-N 0 0 317.367 4.594 50 0 DJAARN ClC(Cl)=C[C@H]1CC(c2ccccc2)=NN1c1ccccc1 ZINC000004011882 181062013 /nfs/dbraw/zinc/06/20/13/181062013.db2.gz UMPSIQCPTPUUEX-OAHLLOKOSA-N 0 0 317.219 4.989 50 0 DJAARN CCCc1cc(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000004084762 181071422 /nfs/dbraw/zinc/07/14/22/181071422.db2.gz IWHOHDIAWNCDEB-UHFFFAOYSA-N 0 0 312.409 4.773 50 0 biogenic DJAARN FCCCOc1ccc(-c2ccnc(-c3ccccc3)n2)cc1 ZINC000004092166 181072107 /nfs/dbraw/zinc/07/21/07/181072107.db2.gz RECBAHXGAXTDJB-UHFFFAOYSA-N 0 0 308.356 4.549 50 0 DJAARN Cc1ccc(C)n1-c1nc(C)cc(-c2sccc2Cl)n1 ZINC000004088729 181072225 /nfs/dbraw/zinc/07/22/25/181072225.db2.gz JLTXJYSYIIVOJG-UHFFFAOYSA-N 0 0 303.818 4.574 50 0 DJAARN Cc1csc2c1nc(-c1ccc(Cl)cc1Cl)oc2=O ZINC000004105199 181074029 /nfs/dbraw/zinc/07/40/29/181074029.db2.gz ZBAUBAFUTXTNNR-UHFFFAOYSA-N 0 0 312.177 4.532 50 0 DJAARN Cc1cc(C)cc(NC(=O)CSc2cn(C)c3ccccc23)c1 ZINC000004059770 181068122 /nfs/dbraw/zinc/06/81/22/181068122.db2.gz NRXWVVNGFINKMY-UHFFFAOYSA-N 0 0 324.449 4.526 50 0 DJAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(C)cc43)oc21 ZINC000004062821 181068857 /nfs/dbraw/zinc/06/88/57/181068857.db2.gz RCFFADUYOPJTJP-UHFFFAOYSA-N 0 0 320.344 4.832 50 0 biogenic DJAARN O=C(CN1CCCCC1)OC1CCCCCCCCCCC1 ZINC000004184485 181082366 /nfs/dbraw/zinc/08/23/66/181082366.db2.gz AIYPHYUTIQDYMN-UHFFFAOYSA-N 0 0 309.494 4.689 50 0 DJAARN c1coc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000004142243 181078769 /nfs/dbraw/zinc/07/87/69/181078769.db2.gz WATHMQJGGGQOJJ-YLJYHZDGSA-N 0 0 316.360 4.522 50 0 DJAARN Fc1ccc(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000004159651 181079664 /nfs/dbraw/zinc/07/96/64/181079664.db2.gz SFRUVWRGPPJKQC-SFHVURJKSA-N 0 0 306.340 4.774 50 0 DJAARN Cc1ccccc1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000004186965 181083439 /nfs/dbraw/zinc/08/34/39/181083439.db2.gz IRLBRTNZDLDMIF-UHFFFAOYSA-N 0 0 321.449 4.745 50 0 DJAARN COc1ccccc1NC(=O)c1ccccc1Oc1ccccc1 ZINC000004196002 181083601 /nfs/dbraw/zinc/08/36/01/181083601.db2.gz OUPCBJVFBXTVEP-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)s3)nc21 ZINC000004264314 181089586 /nfs/dbraw/zinc/08/95/86/181089586.db2.gz KRAOIIGCNNCJQT-UHFFFAOYSA-N 0 0 322.842 4.880 50 0 DJAARN CCCCO[C@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21 ZINC000004268398 181090067 /nfs/dbraw/zinc/09/00/67/181090067.db2.gz IOZJRZWULOVVDA-GOSISDBHSA-N 0 0 316.784 4.528 50 0 DJAARN Cc1ccc2sc(NC(=O)c3ccc(Cl)s3)nc2c1C ZINC000004275367 181090731 /nfs/dbraw/zinc/09/07/31/181090731.db2.gz UCTVZAVWYYJTGF-UHFFFAOYSA-N 0 0 322.842 4.880 50 0 DJAARN Cc1sc(C=O)cc1CSc1nc2ccccc2s1 ZINC000004343219 181100635 /nfs/dbraw/zinc/10/06/35/181100635.db2.gz RTIOZIBVECFBOW-UHFFFAOYSA-N 0 0 305.449 4.771 50 0 DJAARN Fc1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000004356363 181101733 /nfs/dbraw/zinc/10/17/33/181101733.db2.gz UGIBZKXAQPNHEH-UHFFFAOYSA-N 0 0 314.360 4.714 50 0 DJAARN Clc1ccc(CSc2ccc(-c3ccco3)nn2)cc1 ZINC000004357968 181101913 /nfs/dbraw/zinc/10/19/13/181101913.db2.gz LPPBUZPLSGDYOL-UHFFFAOYSA-N 0 0 302.786 4.682 50 0 DJAARN Cc1ccsc1-c1cnc(OC(C)(C)C)nc1OC(C)(C)C ZINC000004419597 181108797 /nfs/dbraw/zinc/10/87/97/181108797.db2.gz SKZZUUGUEVGZEH-UHFFFAOYSA-N 0 0 320.458 4.868 50 0 DJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H]2CCCO2)c1 ZINC000004386861 181105931 /nfs/dbraw/zinc/10/59/31/181105931.db2.gz JHEARUVBLQFZJA-IBGZPJMESA-N 0 0 306.409 4.553 50 0 DJAARN COc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1Cl ZINC000004542053 181121587 /nfs/dbraw/zinc/12/15/87/181121587.db2.gz VEACLOMDRSZBPU-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(Cl)c1 ZINC000004541804 181122032 /nfs/dbraw/zinc/12/20/32/181122032.db2.gz BQFXQLKKTKFJSQ-UHFFFAOYSA-N 0 0 317.816 4.726 50 0 DJAARN COc1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000004542187 181122737 /nfs/dbraw/zinc/12/27/37/181122737.db2.gz IVGRNSTYOMAUCO-UHFFFAOYSA-N 0 0 317.816 4.537 50 0 DJAARN Cc1ccc(SCC(=O)Nc2ccc3sccc3c2)cc1 ZINC000004496465 181115066 /nfs/dbraw/zinc/11/50/66/181115066.db2.gz PROITVOTXQSRNH-UHFFFAOYSA-N 0 0 313.447 4.941 50 0 DJAARN CC(C)CCSc1nc2sc3c(c2c(N)n1)C[C@H](C)CC3 ZINC000004550113 181123722 /nfs/dbraw/zinc/12/37/22/181123722.db2.gz FALUUBMIPDQABO-SNVBAGLBSA-N 0 0 321.515 4.537 50 0 DJAARN CC(C)CCSc1nc2sc3c(c2c(N)n1)C[C@@H](C)CC3 ZINC000004550114 181124071 /nfs/dbraw/zinc/12/40/71/181124071.db2.gz FALUUBMIPDQABO-JTQLQIEISA-N 0 0 321.515 4.537 50 0 DJAARN O=C(N=S(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004566777 181125552 /nfs/dbraw/zinc/12/55/52/181125552.db2.gz QVKNXZRLIGJNMU-UHFFFAOYSA-N 0 0 305.402 4.747 50 0 DJAARN O=C1N[C@H](/C=C/c2ccco2)Nc2scc(-c3ccccc3)c21 ZINC000004571803 181125945 /nfs/dbraw/zinc/12/59/45/181125945.db2.gz NISUDNZJUSBUBB-HVHJFMEUSA-N 0 0 322.389 4.778 50 0 DJAARN COc1ccc(/C=C/c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000004657178 181132614 /nfs/dbraw/zinc/13/26/14/181132614.db2.gz BUKITPUYNLXVFK-DHZHZOJOSA-N 0 0 312.756 4.569 50 0 DJAARN Fc1ccc(/C=C/c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000004657179 181133037 /nfs/dbraw/zinc/13/30/37/181133037.db2.gz HBUDGXGATTVPMQ-JXMROGBWSA-N 0 0 300.720 4.700 50 0 DJAARN CC(C)[C@@H](NC(=O)[C@@H](c1ccccc1)C(C)C)c1ccccc1 ZINC000004667894 181133955 /nfs/dbraw/zinc/13/39/55/181133955.db2.gz XYDUVAQOHZKDBE-WOJBJXKFSA-N 0 0 309.453 4.940 50 0 DJAARN Cc1cc(O)ccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000004666381 181134109 /nfs/dbraw/zinc/13/41/09/181134109.db2.gz QMKWHFUCNKLVTF-OAHLLOKOSA-N 0 0 311.425 4.641 50 0 DJAARN C[C@@H]1C[C@H](C)CN(C(=O)/C(=C\c2ccccc2)c2ccccc2)C1 ZINC000004616170 181130007 /nfs/dbraw/zinc/13/00/07/181130007.db2.gz JOJVYEUWFFQKCZ-JECJDTASSA-N 0 0 319.448 4.732 50 0 DJAARN Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1 ZINC000004649423 181132320 /nfs/dbraw/zinc/13/23/20/181132320.db2.gz WACKEHFXEFWXQY-GZTJUZNOSA-N 0 0 323.417 4.540 50 0 DJAARN CCOc1ccccc1OCCOc1cccc(C(C)C)c1 ZINC000004701972 181139166 /nfs/dbraw/zinc/13/91/66/181139166.db2.gz HXMDNSOUIXHIKN-UHFFFAOYSA-N 0 0 300.398 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563279536 /nfs/dbraw/zinc/27/95/36/563279536.db2.gz FETQTAIPPBVULL-UHFFFAOYSA-N 0 0 316.360 4.997 50 0 DJAARN CC[C@@H](C)c1ccc(NC(=O)c2cc3ccccc3o2)c(O)c1 ZINC000001220603 563279959 /nfs/dbraw/zinc/27/99/59/563279959.db2.gz KKSZQZQEIVJAMT-GFCCVEGCSA-N 0 0 309.365 4.904 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000001402773 563282708 /nfs/dbraw/zinc/28/27/08/563282708.db2.gz BAAAYZPVZHPPPJ-UHFFFAOYSA-N 0 0 309.394 4.763 50 0 DJAARN CC(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001401603 563282921 /nfs/dbraw/zinc/28/29/21/563282921.db2.gz YGVSVUVPZIFTEH-UHFFFAOYSA-N 0 0 319.735 4.609 50 0 DJAARN CCC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 ZINC000001413897 563283434 /nfs/dbraw/zinc/28/34/34/563283434.db2.gz VMZWEULBRTVAKC-UHFFFAOYSA-N 0 0 314.772 4.805 50 0 DJAARN CCCC(=O)Nc1ccc2nc(-c3ccc(CC)cc3)oc2c1 ZINC000001413996 563283723 /nfs/dbraw/zinc/28/37/23/563283723.db2.gz MLVTUROPYGBNEM-UHFFFAOYSA-N 0 0 308.381 4.796 50 0 DJAARN Clc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1 ZINC000001452034 563284093 /nfs/dbraw/zinc/28/40/93/563284093.db2.gz KBVNBTOSHFCEBB-UHFFFAOYSA-N 0 0 311.797 4.778 50 0 DJAARN C[C@@](O)(c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000001668778 563289754 /nfs/dbraw/zinc/28/97/54/563289754.db2.gz IOJUSEUQECGGDK-WOJBJXKFSA-N 0 0 323.823 4.775 50 0 DJAARN COc1ccc(C)cc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000001753315 563295251 /nfs/dbraw/zinc/29/52/51/563295251.db2.gz QDTPZWIRFSBIRK-UHFFFAOYSA-N 0 0 324.302 4.666 50 0 DJAARN Cc1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000001773402 563295271 /nfs/dbraw/zinc/29/52/71/563295271.db2.gz KXCAKVFPQFURJQ-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN CCOc1ccc2[nH]c(SC/C=C/c3ccccc3)nc2c1 ZINC000001794203 563295586 /nfs/dbraw/zinc/29/55/86/563295586.db2.gz MFVLLFMZPFFBNG-RMKNXTFCSA-N 0 0 310.422 4.767 50 0 DJAARN O=C(CCCOc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000001775877 563295666 /nfs/dbraw/zinc/29/56/66/563295666.db2.gz CPMWIXLFARFBOV-UHFFFAOYSA-N 0 0 324.207 4.791 50 0 DJAARN CCCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000001777908 563295739 /nfs/dbraw/zinc/29/57/39/563295739.db2.gz YBJIRKPCENTCLN-JXMROGBWSA-N 0 0 309.409 4.744 50 0 DJAARN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1C ZINC000001773571 563295968 /nfs/dbraw/zinc/29/59/68/563295968.db2.gz YRSFDOUKASGHMJ-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN Cc1cccc(OCCCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000001773799 563296000 /nfs/dbraw/zinc/29/60/00/563296000.db2.gz UKVTUXPUBMVCBP-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN CCCC[C@H](CC)CNC(=O)c1c(C)onc1-c1ccccc1 ZINC000002084187 563299436 /nfs/dbraw/zinc/29/94/36/563299436.db2.gz CFFMQZLRMNKILT-HNNXBMFYSA-N 0 0 314.429 4.596 50 0 DJAARN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000002080142 563299782 /nfs/dbraw/zinc/29/97/82/563299782.db2.gz RUJDYJPJJQYCKF-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN CCc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000002165496 563300733 /nfs/dbraw/zinc/30/07/33/563300733.db2.gz HCWVVCLJYCXSMD-UHFFFAOYSA-N 0 0 308.303 4.912 50 0 DJAARN CCCCCOc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000002190232 563301682 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/nfs/dbraw/zinc/31/29/79/563312979.db2.gz KPAJSRBYFRZTSR-DTQAZKPQSA-N 0 0 321.464 4.962 50 0 DJAARN Cc1ccc(COc2ccc(-c3noc(C(C)(C)C)n3)cc2)cc1 ZINC000034680369 563313279 /nfs/dbraw/zinc/31/32/79/563313279.db2.gz WWAVJGVQKXWQEJ-UHFFFAOYSA-N 0 0 322.408 4.922 50 0 DJAARN CCCCOP(=O)(Nc1cccc(F)c1)OCCCC ZINC000002810022 563313563 /nfs/dbraw/zinc/31/35/63/563313563.db2.gz HWYAJLIPRJAXQZ-UHFFFAOYSA-N 0 0 303.314 4.979 50 0 DJAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2CC)cc1 ZINC000002853839 563314833 /nfs/dbraw/zinc/31/48/33/563314833.db2.gz ARSAQRFIWFRFRC-UHFFFAOYSA-N 0 0 324.424 4.630 50 0 DJAARN Cc1cc(=O)oc2c(C)c(OC/C=C/c3ccccc3)ccc12 ZINC000002841872 563315114 /nfs/dbraw/zinc/31/51/14/563315114.db2.gz RGVVOQAPZIUCQI-RMKNXTFCSA-N 0 0 306.361 4.502 50 0 DJAARN C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)CC(C)(C)C1 ZINC000002869955 563315653 /nfs/dbraw/zinc/31/56/53/563315653.db2.gz QFRKSSIXIDGZIO-NXEZZACHSA-N 0 0 315.791 4.563 50 0 DJAARN CCOc1cccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1 ZINC000002879035 563316197 /nfs/dbraw/zinc/31/61/97/563316197.db2.gz CQURRCZJVVMUNR-GOSISDBHSA-N 0 0 317.388 4.713 50 0 DJAARN CCOc1cccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1 ZINC000002879036 563316244 /nfs/dbraw/zinc/31/62/44/563316244.db2.gz CQURRCZJVVMUNR-SFHVURJKSA-N 0 0 317.388 4.713 50 0 DJAARN Cc1ccc(C(C)C)c(OCCNC(=O)CCC2CCCC2)c1 ZINC000002943927 563318071 /nfs/dbraw/zinc/31/80/71/563318071.db2.gz NBAHQKBHQUPQEH-UHFFFAOYSA-N 0 0 317.473 4.584 50 0 DJAARN COc1cc(C)ccc1OCCCOc1cc(C)cc(C)c1C ZINC000002983872 563318672 /nfs/dbraw/zinc/31/86/72/563318672.db2.gz KGKBJLGZZKCAFB-UHFFFAOYSA-N 0 0 314.425 4.777 50 0 DJAARN CCOc1ccc(OCCCOc2cc(C)cc(C)c2)cc1 ZINC000002983761 563318699 /nfs/dbraw/zinc/31/86/99/563318699.db2.gz GIUZBVPSDXRDDZ-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN CCOc1cccc(OCCOc2ccc(C(C)C)cc2)c1 ZINC000002983569 563318777 /nfs/dbraw/zinc/31/87/77/563318777.db2.gz FKOPYPZMHGOLBL-UHFFFAOYSA-N 0 0 300.398 4.667 50 0 DJAARN Fc1ccc(OCCCCOc2cccc3cccnc32)cc1 ZINC000002984297 563319385 /nfs/dbraw/zinc/31/93/85/563319385.db2.gz VYGQGGYZSMACAN-UHFFFAOYSA-N 0 0 311.356 4.612 50 0 DJAARN Clc1ccc(OCCCOc2cccc3cccnc32)cc1 ZINC000002984841 563319524 /nfs/dbraw/zinc/31/95/24/563319524.db2.gz NCDIXADIRZUZFY-UHFFFAOYSA-N 0 0 313.784 4.736 50 0 DJAARN COc1cc(C)ccc1OCCCCOc1cccc(C)c1C ZINC000002985369 563319531 /nfs/dbraw/zinc/31/95/31/563319531.db2.gz WUSBCXBZBYQAEV-UHFFFAOYSA-N 0 0 314.425 4.858 50 0 DJAARN CCOc1ccc(OCCCOc2ccc(Cl)cc2)cc1 ZINC000002991131 563319957 /nfs/dbraw/zinc/31/99/57/563319957.db2.gz KUAFDGFSVZUXSN-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN CC(C)CCC[C@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC000002988441 563319968 /nfs/dbraw/zinc/31/99/68/563319968.db2.gz QFKGWMLRFUSJNL-NSHDSACASA-N 0 0 302.245 4.938 50 0 DJAARN CC(C)C(NC(=O)CCSc1ccc(Cl)cc1)C(C)C ZINC000002994743 563320529 /nfs/dbraw/zinc/32/05/29/563320529.db2.gz OOCSLWSWTXZPAH-UHFFFAOYSA-N 0 0 313.894 4.619 50 0 DJAARN OC(CSCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003128205 563322607 /nfs/dbraw/zinc/32/26/07/563322607.db2.gz GCDTUNDKVIEDPQ-UHFFFAOYSA-N 0 0 320.457 4.856 50 0 DJAARN Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(C)o1 ZINC000003354544 563324521 /nfs/dbraw/zinc/32/45/21/563324521.db2.gz HVBIAVCJWKVRPW-UHFFFAOYSA-N 0 0 305.377 4.740 50 0 DJAARN Cc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)C(C)(C)C ZINC000034795695 563324528 /nfs/dbraw/zinc/32/45/28/563324528.db2.gz RNLLPBMLVAOLOR-UHFFFAOYSA-N 0 0 313.445 4.667 50 0 DJAARN Cc1cccc(OCc2noc(-c3ccc4ccccc4c3)n2)c1 ZINC000034907018 563324566 /nfs/dbraw/zinc/32/45/66/563324566.db2.gz XCABENHZDZCSNB-UHFFFAOYSA-N 0 0 316.360 4.777 50 0 DJAARN Fc1cccc(OCc2noc(-c3cccc4ccccc43)n2)c1 ZINC000034907005 563324597 /nfs/dbraw/zinc/32/45/97/563324597.db2.gz RZYCNMQNZPPVAI-UHFFFAOYSA-N 0 0 320.323 4.608 50 0 DJAARN CC(C)(C)c1ccc(-c2n[nH]c(C3CC3)c2NC(=O)C2CC2)cc1 ZINC000034795812 563324609 /nfs/dbraw/zinc/32/46/09/563324609.db2.gz KLJSPXBDBAVAFE-UHFFFAOYSA-N 0 0 323.440 4.600 50 0 DJAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)CC(C)C ZINC000034913333 563325370 /nfs/dbraw/zinc/32/53/70/563325370.db2.gz DRRNFRBYHCMPOF-UHFFFAOYSA-N 0 0 321.424 4.603 50 0 DJAARN C[C@H]1c2cc(Cl)ccc2O[C@H]2c3ccc(Cl)cc3C(=O)N21 ZINC000035324774 563326488 /nfs/dbraw/zinc/32/64/88/563326488.db2.gz ZCXLIHVLCDZOOI-PWJLMRLQSA-N 0 0 320.175 4.601 50 0 DJAARN CCn1c2ccccc2c2cc(N[C@@H](C)c3nnc(C)o3)ccc21 ZINC000071902379 563331004 /nfs/dbraw/zinc/33/10/04/563331004.db2.gz HCDFIAUFBUKELC-LBPRGKRZSA-N 0 0 320.396 4.679 50 0 DJAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(F)c1 ZINC000006887078 563334292 /nfs/dbraw/zinc/33/42/92/563334292.db2.gz IWPLYOTXNKANGH-UHFFFAOYSA-N 0 0 305.352 4.674 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H]2CCCCC=C[C@H]21 ZINC000584904471 563338473 /nfs/dbraw/zinc/33/84/73/563338473.db2.gz YKKQZNRTCYTFJV-LALPHHSUSA-N 0 0 310.224 4.924 50 0 DJAARN CCCCNc1cc(C)nc2c(-c3ccccc3Cl)cnn21 ZINC000007636193 563339892 /nfs/dbraw/zinc/33/98/92/563339892.db2.gz PHSDKGSVRIXORR-UHFFFAOYSA-N 0 0 314.820 4.570 50 0 DJAARN CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002739298 563340042 /nfs/dbraw/zinc/34/00/42/563340042.db2.gz YVLPRIXQVQEDCD-UHFFFAOYSA-N 0 0 324.811 4.693 50 0 DJAARN Cc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cs1 ZINC000002735925 563340657 /nfs/dbraw/zinc/34/06/57/563340657.db2.gz OFJPLBUPDCQPCX-CYBMUJFWSA-N 0 0 301.455 4.845 50 0 DJAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cs1 ZINC000002735924 563340796 /nfs/dbraw/zinc/34/07/96/563340796.db2.gz OFJPLBUPDCQPCX-ZDUSSCGKSA-N 0 0 301.455 4.845 50 0 DJAARN C[C@@H]1C[C@@H](NC(=O)c2csc3ccccc23)CC(C)(C)C1 ZINC000002772841 563341964 /nfs/dbraw/zinc/34/19/64/563341964.db2.gz HQTYULSTMYRLOD-CHWSQXEVSA-N 0 0 301.455 4.846 50 0 DJAARN Cc1nn2c(nc(-c3ccc(C)c(C)c3)cc2C(F)F)c1Cl ZINC000002786673 563342038 /nfs/dbraw/zinc/34/20/38/563342038.db2.gz QWQAGVZGELVYQE-UHFFFAOYSA-N 0 0 321.758 4.913 50 0 DJAARN Cc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 ZINC000008073425 563343974 /nfs/dbraw/zinc/34/39/74/563343974.db2.gz ZYKJHICKBPJMGO-UHFFFAOYSA-N 0 0 317.388 4.826 50 0 DJAARN CCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000071916615 563344524 /nfs/dbraw/zinc/34/45/24/563344524.db2.gz RYSUBLVRNJUDMZ-OAHLLOKOSA-N 0 0 312.413 4.539 50 0 DJAARN c1coc(-c2cc(-c3ccccc3)nn2Cc2ccccc2)c1 ZINC000003014250 563345444 /nfs/dbraw/zinc/34/54/44/563345444.db2.gz OJNNPYADVWOZSC-UHFFFAOYSA-N 0 0 300.361 4.858 50 0 DJAARN S=c1nc2ccccc2c(NCCc2ccc(Cl)cc2)[nH]1 ZINC000002970309 563345513 /nfs/dbraw/zinc/34/55/13/563345513.db2.gz VBXCPFCCRDMTTR-UHFFFAOYSA-N 0 0 315.829 4.600 50 0 DJAARN Cc1c([C@H](C)[NH2+]C2CCC2)cnn1-c1cccc2ccccc21 ZINC000011839995 563359991 /nfs/dbraw/zinc/35/99/91/563359991.db2.gz CRUPBKALIYIQGW-AWEZNQCLSA-N 0 0 305.425 4.537 50 0 DJAARN COc1ccc2c(ccc3c2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)c1 ZINC000012379863 563367813 /nfs/dbraw/zinc/36/78/13/563367813.db2.gz JCRFIZBVXKZZHN-PCCBWWKXSA-N 0 0 324.420 4.610 50 0 DJAARN C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1F ZINC000012787782 563373046 /nfs/dbraw/zinc/37/30/46/563373046.db2.gz TZRREDZBAIXGDA-SECBINFHSA-N 0 0 312.171 4.624 50 0 DJAARN Cc1oc(-c2ccsc2)nc1CN(C)[C@@H](C)c1cccs1 ZINC000012762015 563373512 /nfs/dbraw/zinc/37/35/12/563373512.db2.gz JUHXCZPJMWNEDQ-NSHDSACASA-N 0 0 318.467 4.966 50 0 DJAARN C[C@H]1CCN(C(=O)c2ccc(Cl)cc2)c2ccccc2S1 ZINC000012799628 563373668 /nfs/dbraw/zinc/37/36/68/563373668.db2.gz PBEZMAIDEDHTJH-LBPRGKRZSA-N 0 0 317.841 4.871 50 0 DJAARN ClC12C[C@@H]3C[C@H](C1)CC(c1nnc(-c4ccccc4)o1)(C3)C2 ZINC000012803525 563373998 /nfs/dbraw/zinc/37/39/98/563373998.db2.gz MMYNQGARQLJTIZ-NLKGSNSHSA-N 0 0 314.816 4.566 50 0 DJAARN O=C(c1ccccc1Cl)N1CCSc2ccc(Cl)cc21 ZINC000012974033 563375898 /nfs/dbraw/zinc/37/58/98/563375898.db2.gz HFYXHTNFMUSUOG-UHFFFAOYSA-N 0 0 324.232 4.746 50 0 DJAARN Cc1ccc([C@H](NC(=O)Nc2ccccc2)c2cccs2)cc1 ZINC000012988482 563376764 /nfs/dbraw/zinc/37/67/64/563376764.db2.gz WPWIJFNEQLAYTF-SFHVURJKSA-N 0 0 322.433 4.968 50 0 DJAARN COc1ccc(NC(=O)c2ccccc2)cc1Cc1ccccc1 ZINC000012996444 563376839 /nfs/dbraw/zinc/37/68/39/563376839.db2.gz ZRBIPABPXKLZLV-UHFFFAOYSA-N 0 0 317.388 4.538 50 0 DJAARN Cc1ccc(NC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000012985402 563376946 /nfs/dbraw/zinc/37/69/46/563376946.db2.gz YBLKHYGNZYLBHN-GOSISDBHSA-N 0 0 322.433 4.968 50 0 DJAARN Cc1ccc2[nH]c(SCCCCOc3ccccc3)nc2c1 ZINC000013063436 563377479 /nfs/dbraw/zinc/37/74/79/563377479.db2.gz YYNXQNXJTSUCCE-UHFFFAOYSA-N 0 0 312.438 4.823 50 0 DJAARN Oc1ccccc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1 ZINC000013130395 563378832 /nfs/dbraw/zinc/37/88/32/563378832.db2.gz PXGAZZSLFJADRL-UHFFFAOYSA-N 0 0 316.282 4.535 50 0 DJAARN C[C@@H]1CCC[C@H](C)N1C(=O)Nc1ccc(Cl)cc1Cl ZINC000013320364 563380319 /nfs/dbraw/zinc/38/03/19/563380319.db2.gz FZRRIFPZJGILFV-AOOOYVTPSA-N 0 0 301.217 4.788 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)o1 ZINC000013327599 563380733 /nfs/dbraw/zinc/38/07/33/563380733.db2.gz IIFQHXYSQCDTHY-UHFFFAOYSA-N 0 0 317.694 4.821 50 0 DJAARN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1c1ccccc1 ZINC000013534849 563382656 /nfs/dbraw/zinc/38/26/56/563382656.db2.gz YGMDGYBHVRDUML-GXDHUFHOSA-N 0 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563609656 /nfs/dbraw/zinc/60/96/56/563609656.db2.gz LSLPDNADAPCDKB-UHFFFAOYSA-N 0 0 309.793 4.518 50 0 DJAARN Cc1ccc2cc3cc(C(=O)N4CCC(C)CC4)sc3nc2c1 ZINC000000428310 563612719 /nfs/dbraw/zinc/61/27/19/563612719.db2.gz AZPVALXSUXSTFM-UHFFFAOYSA-N 0 0 324.449 4.630 50 0 DJAARN CCCn1cc(SCC(=O)Nc2ccccc2)c2ccccc21 ZINC000000425883 563613422 /nfs/dbraw/zinc/61/34/22/563613422.db2.gz DCCGVCAPHVRCEW-UHFFFAOYSA-N 0 0 324.449 4.782 50 0 DJAARN CC(C)c1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000000430988 563613884 /nfs/dbraw/zinc/61/38/84/563613884.db2.gz VJPMRBJCYAIGIL-NIEGGPFSSA-N 0 0 317.388 4.820 50 0 DJAARN Cc1ccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000000441074 563615207 /nfs/dbraw/zinc/61/52/07/563615207.db2.gz ZCYRAAJKKFQNJB-UHFFFAOYSA-N 0 0 322.408 4.922 50 0 DJAARN C[C@@H](Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccn1 ZINC000179637444 563619480 /nfs/dbraw/zinc/61/94/80/563619480.db2.gz GRIVWBSFOBFSFC-OAHLLOKOSA-N 0 0 323.440 4.774 50 0 DJAARN CCOC(=O)c1nc2cc3n(c(C)c-2c1C)[C@@H](C)C(CC)=C3C 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CC(C)(C)C1CCC(C(=O)Oc2cccc3cccnc32)CC1 ZINC000003149444 563637860 /nfs/dbraw/zinc/63/78/60/563637860.db2.gz HCMSNBCPCOTOGN-UHFFFAOYSA-N 0 0 311.425 4.993 50 0 DJAARN Cc1cc(C)c(S(=O)(=O)c2cccc(C(C)(C)C)c2)c(C)c1 ZINC000003151215 563638715 /nfs/dbraw/zinc/63/87/15/563638715.db2.gz NFLFXFPBADDTQP-UHFFFAOYSA-N 0 0 316.466 4.742 50 0 DJAARN Fc1cc(OCc2ccccc2)c(Br)cc1Cl ZINC000168764676 563645997 /nfs/dbraw/zinc/64/59/97/563645997.db2.gz ULJTWZXNDQHHPR-UHFFFAOYSA-N 0 0 315.569 4.821 50 0 DJAARN C[C@H]1C(=O)Nc2ccc(-c3csc(-c4cccs4)n3)cc21 ZINC000101089539 563650710 /nfs/dbraw/zinc/65/07/10/563650710.db2.gz XHCAGXLKOMJJNO-SECBINFHSA-N 0 0 312.419 4.594 50 0 DJAARN CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)=CC1(C)C ZINC000000500752 563653393 /nfs/dbraw/zinc/65/33/93/563653393.db2.gz SMXHXIFHRLGPDT-UHFFFAOYSA-N 0 0 313.228 4.938 50 0 DJAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC2CCCCC2)o1 ZINC000101316710 563654906 /nfs/dbraw/zinc/65/49/06/563654906.db2.gz YFGUWEUDSDWFJF-UHFFFAOYSA-N 0 0 309.413 4.956 50 0 DJAARN 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/nfs/dbraw/zinc/90/16/71/563901671.db2.gz RPFLTARKQTVQRU-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000007223253 563904612 /nfs/dbraw/zinc/90/46/12/563904612.db2.gz HFNFADFOKMCEGR-NSHDSACASA-N 0 0 323.223 4.741 50 0 DJAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000007402030 563906220 /nfs/dbraw/zinc/90/62/20/563906220.db2.gz MSUKHRDAATVWON-GFCCVEGCSA-N 0 0 323.845 4.654 50 0 DJAARN CC(C)OCc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000007476653 563906744 /nfs/dbraw/zinc/90/67/44/563906744.db2.gz ZGFDOYGKKOXCKZ-UHFFFAOYSA-N 0 0 303.789 4.517 50 0 DJAARN CCCNC(=S)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000007527828 563908163 /nfs/dbraw/zinc/90/81/63/563908163.db2.gz CHKKHPXQDFWWEU-UHFFFAOYSA-N 0 0 311.454 4.511 50 0 DJAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N1CCc2ccccc21 ZINC000170620607 563908569 /nfs/dbraw/zinc/90/85/69/563908569.db2.gz MGQAQEAPVCOVGH-CYBMUJFWSA-N 0 0 314.816 4.516 50 0 DJAARN O=C1CS[C@H](c2c(F)cccc2Cl)c2sccc2N1 ZINC000071283161 563909048 /nfs/dbraw/zinc/90/90/48/563909048.db2.gz CSWDAVXAXBXWCF-CYBMUJFWSA-N 0 0 313.806 4.965 50 0 DJAARN O=C1CS[C@@H](c2ccc(F)c(Cl)c2)c2sccc2N1 ZINC000071283052 563909061 /nfs/dbraw/zinc/90/90/61/563909061.db2.gz WXTJLNIZZJUCTE-LBPRGKRZSA-N 0 0 313.806 4.965 50 0 DJAARN O=C(Cc1cccc2ccccc21)Nc1ccc2scnc2c1 ZINC000010217538 563909296 /nfs/dbraw/zinc/90/92/96/563909296.db2.gz IAPZLANCARLXMN-UHFFFAOYSA-N 0 0 318.401 4.631 50 0 DJAARN CCC[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320411 563909497 /nfs/dbraw/zinc/90/94/97/563909497.db2.gz VBVCWHMZQDHZCK-MRVPVSSYSA-N 0 0 308.731 4.669 50 0 DJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1 ZINC000013320083 563909561 /nfs/dbraw/zinc/90/95/61/563909561.db2.gz VGNVQRURMIHZAR-UHFFFAOYSA-N 0 0 316.376 4.776 50 0 DJAARN O=C(NCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000013327897 563909669 /nfs/dbraw/zinc/90/96/69/563909669.db2.gz NPUSEQNZPVISGY-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN O=C(NCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000013327899 563909703 /nfs/dbraw/zinc/90/97/03/563909703.db2.gz IGSNKBBNXVSAJI-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN CC(C)(C)CN(C(=O)c1ccnc(Cl)c1)c1ccc(F)cc1 ZINC000089643037 563910919 /nfs/dbraw/zinc/91/09/19/563910919.db2.gz PYJODFVTBVSMAR-UHFFFAOYSA-N 0 0 320.795 4.567 50 0 DJAARN CN(C(=O)c1ccc(Cl)cc1)[C@H](c1ccc(F)cc1)C1CC1 ZINC000076018744 563911648 /nfs/dbraw/zinc/91/16/48/563911648.db2.gz LNORYFZMCQUNRJ-KRWDZBQOSA-N 0 0 317.791 4.702 50 0 DJAARN CC(C)Cn1ccc2cc(NC(=O)N3CCCC[C@H]3C)ccc21 ZINC000089929730 563912456 /nfs/dbraw/zinc/91/24/56/563912456.db2.gz IQPJMOARWXKBNQ-OAHLLOKOSA-N 0 0 313.445 4.704 50 0 DJAARN CCCCCC[C@H]1C[C@@H](Cc2c(C)[nH]c3ccccc32)C(=O)O1 ZINC000002097852 563913839 /nfs/dbraw/zinc/91/38/39/563913839.db2.gz NTEPIQBWTWYRGV-HOTGVXAUSA-N 0 0 313.441 4.921 50 0 biogenic DJAARN c1ccc(CNc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000274067 563915545 /nfs/dbraw/zinc/91/55/45/563915545.db2.gz WXCHSHPXEPXKFN-UHFFFAOYSA-N 0 0 311.388 4.909 50 0 in-vivo DJAARN O=C(CCNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000002522072 563915750 /nfs/dbraw/zinc/91/57/50/563915750.db2.gz WILYYXYYRZZNNT-UHFFFAOYSA-N 0 0 311.278 4.529 50 0 DJAARN CN(c1cc(Oc2ccc(Cl)cc2)ncn1)C1CCCCC1 ZINC000037378305 563916561 /nfs/dbraw/zinc/91/65/61/563916561.db2.gz FGBOCMOWQBCVTG-UHFFFAOYSA-N 0 0 317.820 4.691 50 0 DJAARN Cc1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000007609680 563917253 /nfs/dbraw/zinc/91/72/53/563917253.db2.gz SUZALCIBFBUJQM-UHFFFAOYSA-N 0 0 317.388 4.826 50 0 DJAARN Cc1ccc([C@@H](NC(=O)C2CCCCC2)c2ccccc2)cc1 ZINC000007686025 563917836 /nfs/dbraw/zinc/91/78/36/563917836.db2.gz BQBCIUZGIANEGY-FQEVSTJZSA-N 0 0 307.437 4.781 50 0 DJAARN CN(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000007668552 563917925 /nfs/dbraw/zinc/91/79/25/563917925.db2.gz CZKISJFVFKUVLV-UHFFFAOYSA-N 0 0 317.388 4.542 50 0 DJAARN O=C(Nc1ccc(Br)cc1Cl)C1CCCCC1 ZINC000007748348 563918782 /nfs/dbraw/zinc/91/87/82/563918782.db2.gz JKRPBYCWGZCXKM-UHFFFAOYSA-N 0 0 316.626 4.621 50 0 DJAARN C=C=C/C=C/C=C\Oc1ccc(CO)cc1O/C=C/C=C\C=C=C ZINC000252627169 563919549 /nfs/dbraw/zinc/91/95/49/563919549.db2.gz ROBDYPVGKAOPPZ-YTPYISAWSA-N 0 0 320.388 4.759 50 0 DJAARN Cc1nc2scc(-c3ccccc3)c2c(Oc2cccnc2)n1 ZINC000007902739 563920407 /nfs/dbraw/zinc/92/04/07/563920407.db2.gz KKUZPAFNDBJPNN-UHFFFAOYSA-N 0 0 319.389 4.854 50 0 DJAARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)CCC2)c1ccccc1 ZINC000015222351 563920427 /nfs/dbraw/zinc/92/04/27/563920427.db2.gz KWUZAQNIKXLVCB-CQSZACIVSA-N 0 0 317.388 4.642 50 0 DJAARN Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000007917177 563920575 /nfs/dbraw/zinc/92/05/75/563920575.db2.gz YFQYLQQSKUWCMK-UHFFFAOYSA-N 0 0 302.377 4.673 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000007915417 563920643 /nfs/dbraw/zinc/92/06/43/563920643.db2.gz VUFZIPIIBAVGJG-UHFFFAOYSA-N 0 0 306.340 4.504 50 0 DJAARN O=C(OCn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000002277960 563921200 /nfs/dbraw/zinc/92/12/00/563921200.db2.gz IFXSYLVFKBNKPC-UHFFFAOYSA-N 0 0 301.345 4.609 50 0 DJAARN CCCc1nc(CN2CC(C)(C)[C@@H]2c2cccs2)cs1 ZINC000253419954 563925222 /nfs/dbraw/zinc/92/52/22/563925222.db2.gz NAMMITSINBJRQL-HNNXBMFYSA-N 0 0 306.500 4.740 50 0 DJAARN Clc1cc(Cl)c2cc(Cl)c(Br)cc2n1 ZINC000575441192 563925356 /nfs/dbraw/zinc/92/53/56/563925356.db2.gz YVPHHSFKEDTUQG-UHFFFAOYSA-N 0 0 311.393 4.958 50 0 DJAARN COc1ccccc1[C@@H](C)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154360775 563926727 /nfs/dbraw/zinc/92/67/27/563926727.db2.gz KENYGLRKZCNWJQ-KUHUBIRLSA-N 0 0 323.440 4.619 50 0 DJAARN CSc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002383610 563927722 /nfs/dbraw/zinc/92/77/22/563927722.db2.gz DJJYCIIACPIQRZ-RUDMXATFSA-N 0 0 321.804 4.853 50 0 DJAARN O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)Nc1cccnc1 ZINC000010366969 563927966 /nfs/dbraw/zinc/92/79/66/563927966.db2.gz QHZHDFKTWXBRSB-CSKARUKUSA-N 0 0 324.380 4.601 50 0 DJAARN CC(C)Cc1nc2ccccc2n1CCCOc1ccccc1 ZINC000012621350 563928762 /nfs/dbraw/zinc/92/87/62/563928762.db2.gz ZXFXVXHRTNBSQD-UHFFFAOYSA-N 0 0 308.425 4.704 50 0 DJAARN CCOc1ccc/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c21 ZINC000012658262 563928855 /nfs/dbraw/zinc/92/88/55/563928855.db2.gz MOXCDLJMGPNTSQ-HEHNFIMWSA-N 0 0 323.392 4.689 50 0 biogenic DJAARN O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000012764596 563928909 /nfs/dbraw/zinc/92/89/09/563928909.db2.gz JXTSAOXLZVWXID-LVMGUKCRSA-N 0 0 311.812 4.717 50 0 DJAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/c1nc2ccccc2o1 ZINC000012754912 563928933 /nfs/dbraw/zinc/92/89/33/563928933.db2.gz KPIMADQSGJVWIO-OUKQBFOZSA-N 0 0 315.376 4.801 50 0 DJAARN CCCCN(C)c1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC000002452352 563929125 /nfs/dbraw/zinc/92/91/25/563929125.db2.gz QDPZJYLRCMTOME-UHFFFAOYSA-N 0 0 305.425 4.842 50 0 DJAARN CC(C)(C)C(=O)Nc1ccccc1C(=O)c1ccccc1Cl ZINC000013367325 563929555 /nfs/dbraw/zinc/92/95/55/563929555.db2.gz VMLMFRINFFDTHP-UHFFFAOYSA-N 0 0 315.800 4.556 50 0 DJAARN COc1ccc(-c2nnc(SCCC3CCCCC3)o2)cc1 ZINC000078931827 563930118 /nfs/dbraw/zinc/93/01/18/563930118.db2.gz FKQPUYOATQCESP-UHFFFAOYSA-N 0 0 318.442 4.808 50 0 DJAARN Cc1nscc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000095458331 563931647 /nfs/dbraw/zinc/93/16/47/563931647.db2.gz GLPPBRYBBSFCGD-ZDUSSCGKSA-N 0 0 322.433 4.610 50 0 DJAARN CC(C)n1ccc(=O)nc1S[C@@H](C)c1ccc2ccccc2c1 ZINC000095948585 563932093 /nfs/dbraw/zinc/93/20/93/563932093.db2.gz CGEYXFPFHAPNET-AWEZNQCLSA-N 0 0 324.449 4.831 50 0 DJAARN Cc1csc(SCc2cc(Cl)nc3ccccc23)n1 ZINC000095945759 563932144 /nfs/dbraw/zinc/93/21/44/563932144.db2.gz GVOPODZUMJAABG-UHFFFAOYSA-N 0 0 306.843 4.945 50 0 DJAARN FC(F)(F)[C@@H]1CCC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000095955910 563932348 /nfs/dbraw/zinc/93/23/48/563932348.db2.gz HQZVEIMQNVHAMM-DTWKUNHWSA-N 0 0 302.321 4.634 50 0 DJAARN COc1cccc(NC(=O)N(C)[C@H](c2ccccc2)C(C)C)c1 ZINC000095958897 563932401 /nfs/dbraw/zinc/93/24/01/563932401.db2.gz SBGLHZPKYISMMZ-SFHVURJKSA-N 0 0 312.413 4.556 50 0 DJAARN C[C@H](c1ccc(C(F)(F)F)cc1)[S@](=O)c1cccs1 ZINC000095971731 563933425 /nfs/dbraw/zinc/93/34/25/563933425.db2.gz GIHVYPRKMZUQCN-AYLIAGHASA-N 0 0 304.358 4.636 50 0 DJAARN C[C@@H](Cc1ccncc1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000095991459 563934507 /nfs/dbraw/zinc/93/45/07/563934507.db2.gz CDALMDRPBADUQD-AWEZNQCLSA-N 0 0 314.404 4.585 50 0 DJAARN C[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3Cl)o2)C1 ZINC000096183881 563935856 /nfs/dbraw/zinc/93/58/56/563935856.db2.gz DXRSFRSTBQYDNE-LBPRGKRZSA-N 0 0 319.788 4.597 50 0 DJAARN CCCOc1cc(C)c2c(c1)oc(C)c(Oc1ccccc1)c2=O ZINC000002476069 563937969 /nfs/dbraw/zinc/93/79/69/563937969.db2.gz CGTFCOIQRZYBHL-UHFFFAOYSA-N 0 0 324.376 4.991 50 0 biogenic DJAARN Cc1ccc(Nc2c(-c3cccnc3)nc3ccc(C)cn32)cc1 ZINC000002468842 563938000 /nfs/dbraw/zinc/93/80/00/563938000.db2.gz CXPFAHKHBQTFTH-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Cc1ccc(Nc2c(-c3cccnc3)nc3cc(C)ccn32)cc1 ZINC000002468791 563938098 /nfs/dbraw/zinc/93/80/98/563938098.db2.gz MRGPDSJBVGLSGQ-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Cc1n[nH]c(C)c1CCCCOc1ccc(C(C)(C)C)cc1 ZINC000002502346 563938242 /nfs/dbraw/zinc/93/82/42/563938242.db2.gz XKKOWPKVVXMILY-UHFFFAOYSA-N 0 0 300.446 4.726 50 0 DJAARN CCn1c(C)c(C)c2cc(C(=O)Nc3ccccc3OC)ccc21 ZINC000028226412 563939096 /nfs/dbraw/zinc/93/90/96/563939096.db2.gz CAZKNLYFUTXZON-UHFFFAOYSA-N 0 0 322.408 4.539 50 0 DJAARN CCOc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1Cl ZINC000670417736 563939358 /nfs/dbraw/zinc/93/93/58/563939358.db2.gz ZOJUDCNKKOCXBQ-UHFFFAOYSA-N 0 0 307.180 4.935 50 0 DJAARN O=C(CSc1nc2ccccc2s1)c1ccc(F)c(F)c1 ZINC000002619937 563939506 /nfs/dbraw/zinc/93/95/06/563939506.db2.gz YDNBVKIZORQKHC-UHFFFAOYSA-N 0 0 321.373 4.550 50 0 DJAARN Cc1ccc(C)c(OCC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000002629102 563939727 /nfs/dbraw/zinc/93/97/27/563939727.db2.gz DKTNXPASRNBCKP-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCC1 ZINC000002634809 563939900 /nfs/dbraw/zinc/93/99/00/563939900.db2.gz FPXJFSOFNCGRNO-UHFFFAOYSA-N 0 0 308.406 4.702 50 0 DJAARN O=C(NCc1ccc(F)cc1)c1cccc(Oc2ccccc2)c1 ZINC000002647343 563940054 /nfs/dbraw/zinc/94/00/54/563940054.db2.gz QYBDFCSTZSRWAP-UHFFFAOYSA-N 0 0 321.351 4.548 50 0 DJAARN COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000002662799 563940243 /nfs/dbraw/zinc/94/02/43/563940243.db2.gz UNQRMDMCXWYGMT-UHFFFAOYSA-N 0 0 317.388 4.538 50 0 DJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000002655276 563940305 /nfs/dbraw/zinc/94/03/05/563940305.db2.gz MBXKSPNYGOCHLE-UHFFFAOYSA-N 0 0 323.392 4.955 50 0 DJAARN CCc1ccc(-c2cc(C(F)F)n3nc(C)c(Cl)c3n2)cc1 ZINC000002787030 563940694 /nfs/dbraw/zinc/94/06/94/563940694.db2.gz YMXXUZHBUJDBKT-UHFFFAOYSA-N 0 0 321.758 4.858 50 0 DJAARN Cc1c(C)n(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc12 ZINC000002764162 563940776 /nfs/dbraw/zinc/94/07/76/563940776.db2.gz VCYXFPIISWAZQZ-HNNXBMFYSA-N 0 0 320.436 4.595 50 0 DJAARN O=C(CCc1cccs1)Nc1cccc(OC2CCCC2)c1 ZINC000029070519 563941144 /nfs/dbraw/zinc/94/11/44/563941144.db2.gz OXQUDGPEVMNEKG-UHFFFAOYSA-N 0 0 315.438 4.641 50 0 DJAARN Cc1ccc(CSCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000002953803 563941387 /nfs/dbraw/zinc/94/13/87/563941387.db2.gz IWKLJLOGQGOHSF-LZLYRXPVSA-N 0 0 319.514 4.559 50 0 DJAARN Cc1ccc(-c2ccc(OC(=O)COc3ccccc3)cc2)cc1 ZINC000002951752 563941417 /nfs/dbraw/zinc/94/14/17/563941417.db2.gz VETCIWRHLIDVKB-UHFFFAOYSA-N 0 0 318.372 4.646 50 0 DJAARN CCN(CC)C(=O)Oc1c(Cl)cc(Cl)c2ccccc21 ZINC000002960363 563941475 /nfs/dbraw/zinc/94/14/75/563941475.db2.gz JJMPABSHZFTXAE-UHFFFAOYSA-N 0 0 312.196 4.987 50 0 DJAARN O=C(Nc1ccccc1C(F)(F)F)NC1CCCCCC1 ZINC000003070629 563941907 /nfs/dbraw/zinc/94/19/07/563941907.db2.gz PBJCCUXCEJMXRC-UHFFFAOYSA-N 0 0 300.324 4.550 50 0 DJAARN Nc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC000003147195 563942423 /nfs/dbraw/zinc/94/24/23/563942423.db2.gz UNRCKELZEFURKT-UHFFFAOYSA-N 0 0 313.360 4.653 50 0 aggregator DJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(F)c1 ZINC000003154992 563942460 /nfs/dbraw/zinc/94/24/60/563942460.db2.gz RFGSPYYPTWPUEL-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN FC(F)(F)c1ccc(Sc2ccc(C(F)(F)F)cn2)nc1 ZINC000003202666 563942745 /nfs/dbraw/zinc/94/27/45/563942745.db2.gz NYNUORIUDKGDPD-UHFFFAOYSA-N 0 0 324.249 4.665 50 0 DJAARN c1sc(N2CCOCC2)c(-c2ccccc2)c1-c1ccccc1 ZINC000003206777 563942869 /nfs/dbraw/zinc/94/28/69/563942869.db2.gz SOYCNYYCJOQVNP-UHFFFAOYSA-N 0 0 321.445 4.919 50 0 DJAARN C[C@H]1CCc2c(sc3ncnc(N(C)C4CCCCC4)c23)C1 ZINC000003255116 563943275 /nfs/dbraw/zinc/94/32/75/563943275.db2.gz CFGITTMPHONTGO-LBPRGKRZSA-N 0 0 315.486 4.585 50 0 DJAARN c1nnc(-c2ccc(CSc3cccc4cccnc43)cc2)o1 ZINC000003256235 563943313 /nfs/dbraw/zinc/94/33/13/563943313.db2.gz IJKHJBCSUSVXRK-UHFFFAOYSA-N 0 0 319.389 4.577 50 0 DJAARN Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C)c3)o2)cc1 ZINC000030810920 563943739 /nfs/dbraw/zinc/94/37/39/563943739.db2.gz JXLCUVHLOZCFEC-UHFFFAOYSA-N 0 0 321.376 4.728 50 0 DJAARN O=C(N[C@H](c1cccs1)C1CCCC1)c1ccccc1F ZINC000032398347 563945654 /nfs/dbraw/zinc/94/56/54/563945654.db2.gz BKLIJTASZSAWGB-INIZCTEOSA-N 0 0 303.402 4.549 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000007995991 563946073 /nfs/dbraw/zinc/94/60/73/563946073.db2.gz QDLCJXBMCGGIAS-CYBMUJFWSA-N 0 0 322.433 4.610 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(C)c1C ZINC000007995890 563946118 /nfs/dbraw/zinc/94/61/18/563946118.db2.gz YAACRWSMKMTQSZ-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(C)o1 ZINC000008039791 563946263 /nfs/dbraw/zinc/94/62/63/563946263.db2.gz UEFLWHOFKSWEAB-FQEVSTJZSA-N 0 0 319.404 4.610 50 0 DJAARN CC(=O)Nc1ccc(-c2nc(Cc3ccccc3)sc2C)cc1 ZINC000008042421 563946405 /nfs/dbraw/zinc/94/64/05/563946405.db2.gz FNIZQLZNPWCCMS-UHFFFAOYSA-N 0 0 322.433 4.668 50 0 DJAARN Cc1nc2sc3c(c2c(Oc2ccccc2Cl)n1)CCC3 ZINC000008080227 563946634 /nfs/dbraw/zinc/94/66/34/563946634.db2.gz BDDDWQHUGADYMB-UHFFFAOYSA-N 0 0 316.813 4.934 50 0 DJAARN O=C(C1CCCC1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000008232637 563947403 /nfs/dbraw/zinc/94/74/03/563947403.db2.gz KRPLTPZVMUJDBQ-HNNXBMFYSA-N 0 0 314.454 4.540 50 0 DJAARN Brc1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000038316868 563947490 /nfs/dbraw/zinc/94/74/90/563947490.db2.gz UNPRTNCCXQCEEP-UHFFFAOYSA-N 0 0 311.182 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O=C(Nc1cccnc1)c1cc2ccc3ccccc3c2s1 ZINC000000068803 563212864 /nfs/dbraw/zinc/21/28/64/563212864.db2.gz FAKOAEBJLBGTIA-UHFFFAOYSA-N 0 0 304.374 4.702 50 0 DJAARN Cc1ccc(NC(=S)N2CCCc3cccc(C)c32)c(C)c1 ZINC000000067437 563212894 /nfs/dbraw/zinc/21/28/94/563212894.db2.gz FYXZHINOOBVFNL-UHFFFAOYSA-N 0 0 310.466 4.761 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Oc2c(Cl)cncc2Cl)cc1 ZINC000000075864 563213870 /nfs/dbraw/zinc/21/38/70/563213870.db2.gz DHLQJTDFDNMSBW-UHFFFAOYSA-N 0 0 324.207 4.905 50 0 DJAARN Cc1ccc(-n2nc(-c3ccc(C(C)(C)C)cc3)cc2N)cc1 ZINC000000082840 563214446 /nfs/dbraw/zinc/21/44/46/563214446.db2.gz MPUWTMTZBMLBGZ-UHFFFAOYSA-N 0 0 305.425 4.727 50 0 DJAARN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)c1cccs1 ZINC000000081198 563214497 /nfs/dbraw/zinc/21/44/97/563214497.db2.gz XMAHHPKHWABKQE-UHFFFAOYSA-N 0 0 324.188 4.822 50 0 DJAARN O=C(c1ccccc1)c1cc(F)c(N2CCCCC2)cc1Cl ZINC000000089427 563215240 /nfs/dbraw/zinc/21/52/40/563215240.db2.gz VSOVFAWVYVQJCH-UHFFFAOYSA-N 0 0 317.791 4.700 50 0 DJAARN Cc1cc2nnc(SCc3ccc(F)cc3)n2c2ccccc12 ZINC000000091580 563215757 /nfs/dbraw/zinc/21/57/57/563215757.db2.gz RFJIFOGRGKOUHF-UHFFFAOYSA-N 0 0 323.396 4.622 50 0 DJAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1C ZINC000000094789 563215877 /nfs/dbraw/zinc/21/58/77/563215877.db2.gz BDJYKGNZEPJNIJ-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN Cc1ccc(C)c(OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000000091502 563215891 /nfs/dbraw/zinc/21/58/91/563215891.db2.gz FVADRGQBYSMNEO-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c(Br)c1 ZINC000000098216 563216286 /nfs/dbraw/zinc/21/62/86/563216286.db2.gz FHFKBUHHNFDDCK-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(C)cc1C ZINC000000094814 563216490 /nfs/dbraw/zinc/21/64/90/563216490.db2.gz LMYGHJZQDHRZFC-UHFFFAOYSA-N 0 0 324.207 4.871 50 0 DJAARN Cc1ccc(C)c(NC(=S)N[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000000098531 563216782 /nfs/dbraw/zinc/21/67/82/563216782.db2.gz ZIPPNSGMFJLGCD-ZFWWWQNUSA-N 0 0 304.503 4.805 50 0 DJAARN COc1ccc(-c2nc3ccccc3n2CCC(C)C)cc1OC ZINC000000099544 563216866 /nfs/dbraw/zinc/21/68/66/563216866.db2.gz KTHRWLXJBVXNHI-UHFFFAOYSA-N 0 0 324.424 4.767 50 0 DJAARN Cc1ccccc1C(=O)Nc1c2ccccc2nc2c1CCCC2 ZINC000000099762 563216874 /nfs/dbraw/zinc/21/68/74/563216874.db2.gz JXWYZJGIMDUFHO-UHFFFAOYSA-N 0 0 316.404 4.674 50 0 DJAARN CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000101206 563216901 /nfs/dbraw/zinc/21/69/01/563216901.db2.gz USARCCFKAOLXPR-GFCCVEGCSA-N 0 0 323.845 4.654 50 0 DJAARN Cc1cc(C)c2nc(SCCc3ccccc3)nc(C)c2c1 ZINC000000104861 563217613 /nfs/dbraw/zinc/21/76/13/563217613.db2.gz SWQVIKLVYJYMPB-UHFFFAOYSA-N 0 0 308.450 4.890 50 0 DJAARN CC(C)(C)c1csc(Cc2ccc(-c3csnn3)cc2)n1 ZINC000000107091 563218222 /nfs/dbraw/zinc/21/82/22/563218222.db2.gz MAQRKHPKPMGUPT-UHFFFAOYSA-N 0 0 315.467 4.550 50 0 DJAARN CC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000000113101 563219202 /nfs/dbraw/zinc/21/92/02/563219202.db2.gz RGDNLALQDAVJJY-UHFFFAOYSA-N 0 0 323.179 4.840 50 0 DJAARN O=C1C[C@H](c2cccc(Cl)c2)c2ccc3ccccc3c2N1 ZINC000000124078 563220957 /nfs/dbraw/zinc/22/09/57/563220957.db2.gz VCPYHJRPPOKQIE-QGZVFWFLSA-N 0 0 307.780 4.967 50 0 DJAARN CC(C)CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000000136595 563222141 /nfs/dbraw/zinc/22/21/41/563222141.db2.gz WCFDNHBZWJORPG-UHFFFAOYSA-N 0 0 310.422 4.948 50 0 DJAARN Cc1nc(COc2cc(C)c(Cl)c(C)c2Cl)cs1 ZINC000000143113 563223251 /nfs/dbraw/zinc/22/32/51/563223251.db2.gz TTYDVFJQLFVWMN-UHFFFAOYSA-N 0 0 302.226 4.954 50 0 DJAARN CC(C)(C)c1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000000140530 563223263 /nfs/dbraw/zinc/22/32/63/563223263.db2.gz BENVIHGIZDOUPU-UHFFFAOYSA-N 0 0 309.822 4.738 50 0 DJAARN CCc1ccccc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000000142334 563223378 /nfs/dbraw/zinc/22/33/78/563223378.db2.gz IIPXPELJNLSYBJ-UHFFFAOYSA-N 0 0 311.425 4.698 50 0 DJAARN O=[S@](c1ccc(-c2ccccn2)s1)c1ccc(Cl)cc1 ZINC000000149184 563224558 /nfs/dbraw/zinc/22/45/58/563224558.db2.gz IGIUXQZLJCKGPY-HXUWFJFHSA-N 0 0 319.838 4.630 50 0 DJAARN Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc(C)cc1 ZINC000000149077 563224661 /nfs/dbraw/zinc/22/46/61/563224661.db2.gz RAZWVGBFFUYIKA-UHFFFAOYSA-N 0 0 314.454 4.946 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C ZINC000000155336 563225827 /nfs/dbraw/zinc/22/58/27/563225827.db2.gz QFNQGDXQUMGUNZ-UHFFFAOYSA-N 0 0 308.425 4.546 50 0 DJAARN CC(C)[C@H](OC(=O)c1ccccc1)c1nccc2ccccc21 ZINC000000173519 563227765 /nfs/dbraw/zinc/22/77/65/563227765.db2.gz DPPHXDGJFPXPHI-IBGZPJMESA-N 0 0 305.377 4.789 50 0 DJAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C)cc1 ZINC000000186416 563229101 /nfs/dbraw/zinc/22/91/01/563229101.db2.gz SPFMLMMSTXJNBW-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN CCOc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1C ZINC000000189798 563229104 /nfs/dbraw/zinc/22/91/04/563229104.db2.gz BRNYQQYRVMJWKF-UHFFFAOYSA-N 0 0 310.349 4.601 50 0 biogenic DJAARN Cc1sc(-c2nc3ccccc3[nH]c2=O)cc1-c1ccccc1 ZINC000000201261 563230553 /nfs/dbraw/zinc/23/05/53/563230553.db2.gz ZCIGRGKXPONGFL-UHFFFAOYSA-N 0 0 318.401 4.627 50 0 DJAARN COc1ccc(C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000209695 563231224 /nfs/dbraw/zinc/23/12/24/563231224.db2.gz ZNBWVOMSDNCCCV-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN CCN(CC)c1ccc(-n2c(C)c3c(c2C)c(C)nnc3C)cc1 ZINC000000225256 563231721 /nfs/dbraw/zinc/23/17/21/563231721.db2.gz HLYXXMKQTUJJAM-UHFFFAOYSA-N 0 0 322.456 4.500 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1Cl ZINC000000245829 563233473 /nfs/dbraw/zinc/23/34/73/563233473.db2.gz DLPBYEMEZZFDQK-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccnc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000000246761 563233625 /nfs/dbraw/zinc/23/36/25/563233625.db2.gz SBWIYNYNJAKRHN-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000000252983 563234226 /nfs/dbraw/zinc/23/42/26/563234226.db2.gz OMHIYNBYBMNZOG-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN Cc1ccc2c(c1)occ(C(=O)c1ccc(C(C)(C)C)cc1)c2=O ZINC000000264968 563234617 /nfs/dbraw/zinc/23/46/17/563234617.db2.gz DCDQHGKERKQXBB-UHFFFAOYSA-N 0 0 320.388 4.630 50 0 DJAARN O=CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000281922 563235985 /nfs/dbraw/zinc/23/59/85/563235985.db2.gz UOJLQHNMRPTANJ-HXUWFJFHSA-N 0 0 322.452 4.538 50 0 DJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000000300646 563237795 /nfs/dbraw/zinc/23/77/95/563237795.db2.gz JZPOOROGNGIBQQ-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN CCN(CC)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000000316708 563240108 /nfs/dbraw/zinc/24/01/08/563240108.db2.gz FAAQXWJXJOKAQW-UHFFFAOYSA-N 0 0 319.408 4.527 50 0 DJAARN CCSc1ccc(NC(=O)c2ccccc2SC)cc1 ZINC000000314588 563240328 /nfs/dbraw/zinc/24/03/28/563240328.db2.gz CUNNMVFUJKNJLE-UHFFFAOYSA-N 0 0 303.452 4.773 50 0 DJAARN CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000000319093 563240754 /nfs/dbraw/zinc/24/07/54/563240754.db2.gz KGUIFITYABJERS-UHFFFAOYSA-N 0 0 324.207 4.953 50 0 DJAARN CCCC(=O)Nc1ccc(-c2ccc(Br)cc2)cc1 ZINC000000338765 563242145 /nfs/dbraw/zinc/24/21/45/563242145.db2.gz VEBGYMGSAGFBQA-UHFFFAOYSA-N 0 0 318.214 4.855 50 0 DJAARN 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O=C(CCC1CCCC1)Nc1nc2ccc(Cl)cc2s1 ZINC000000363182 563244663 /nfs/dbraw/zinc/24/46/63/563244663.db2.gz IHXUHAZNLSNSEL-UHFFFAOYSA-N 0 0 308.834 4.859 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)Cc1cccc2ccccc21 ZINC000000361827 563245010 /nfs/dbraw/zinc/24/50/10/563245010.db2.gz IIHXOINAHRXGHY-UHFFFAOYSA-N 0 0 309.796 4.983 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000000362787 563245014 /nfs/dbraw/zinc/24/50/14/563245014.db2.gz JTCOOVYGCKNXAW-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN O=C(Oc1ccc2cc(Br)ccc2c1)C1CCCC1 ZINC000000364396 563245217 /nfs/dbraw/zinc/24/52/17/563245217.db2.gz UZHPTHSHVVMXBB-UHFFFAOYSA-N 0 0 319.198 4.698 50 0 DJAARN CC[C@@H](C(=O)Nc1ccccc1Br)c1ccccc1 ZINC000000363611 563245299 /nfs/dbraw/zinc/24/52/99/563245299.db2.gz DJLQJERCWFGLSW-CYBMUJFWSA-N 0 0 318.214 4.581 50 0 DJAARN O=C(CCC1CCCC1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364474 563245328 /nfs/dbraw/zinc/24/53/28/563245328.db2.gz LMBIKVNZDDYUHR-UHFFFAOYSA-N 0 0 321.420 4.827 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c(C)c1 ZINC000000365077 563245774 /nfs/dbraw/zinc/24/57/74/563245774.db2.gz WUFUITAORYEMGU-CQSZACIVSA-N 0 0 317.816 4.671 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000000366324 563245890 /nfs/dbraw/zinc/24/58/90/563245890.db2.gz UNYBDQPLZNMDLD-UHFFFAOYSA-N 0 0 317.816 4.618 50 0 DJAARN CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000000372225 563246451 /nfs/dbraw/zinc/24/64/51/563246451.db2.gz FKBYZUDELOWDJW-INIZCTEOSA-N 0 0 302.805 4.921 50 0 DJAARN CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000000375850 563247110 /nfs/dbraw/zinc/24/71/10/563247110.db2.gz KVNUPRACGMWHPF-RORWEDLISA-N 0 0 313.828 4.929 50 0 DJAARN CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000000385945 563248643 /nfs/dbraw/zinc/24/86/43/563248643.db2.gz QLJDMVFEDYQXNV-WSGJVKOYSA-N 0 0 322.408 4.730 50 0 DJAARN COc1cccc(C(=O)Oc2ccc(C3CCCCC3)cc2)c1 ZINC000000392304 563249923 /nfs/dbraw/zinc/24/99/23/563249923.db2.gz VISNQPUDSBDKBC-UHFFFAOYSA-N 0 0 310.393 4.962 50 0 DJAARN O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000000397974 563250657 /nfs/dbraw/zinc/25/06/57/563250657.db2.gz RQJCQDLMPOUCPL-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN CSc1ccc(NC(=O)Oc2cccc3ccc(C)nc32)cc1 ZINC000000399292 563251065 /nfs/dbraw/zinc/25/10/65/563251065.db2.gz PRNAIJQKFZANIA-UHFFFAOYSA-N 0 0 324.405 4.876 50 0 DJAARN C/C=C/c1ccc(OC(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000000399664 563251094 /nfs/dbraw/zinc/25/10/94/563251094.db2.gz CJWKFPJJKLMTGA-ONEGZZNKSA-N 0 0 317.772 4.993 50 0 DJAARN COc1ccc(-c2onc(C)c2-c2cc3ccccc3o2)c(O)c1 ZINC000000408917 563252069 /nfs/dbraw/zinc/25/20/69/563252069.db2.gz YLDIFPHQDXSZJO-UHFFFAOYSA-N 0 0 321.332 4.777 50 0 DJAARN CCOc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000000434427 563253382 /nfs/dbraw/zinc/25/33/82/563253382.db2.gz MNMUHEHIWBPBMJ-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Cc1cc(C)cc(OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000000432985 563253480 /nfs/dbraw/zinc/25/34/80/563253480.db2.gz BKNQCBHPRDKKAB-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN Cc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000439193 563253841 /nfs/dbraw/zinc/25/38/41/563253841.db2.gz HGJKVPBQVGEYFH-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN Cc1ccc(C(=O)CSc2cccc3cccnc32)c(C)c1 ZINC000000440434 563254032 /nfs/dbraw/zinc/25/40/32/563254032.db2.gz OFUMMZZFVOPZEV-UHFFFAOYSA-N 0 0 307.418 4.827 50 0 DJAARN C=Cc1ccc(COc2ccc3c(CCC)cc(=O)oc3c2)cc1 ZINC000000443287 563254918 /nfs/dbraw/zinc/25/49/18/563254918.db2.gz WZIMANDRRWIXMZ-UHFFFAOYSA-N 0 0 320.388 4.968 50 0 DJAARN CC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000000444517 563255040 /nfs/dbraw/zinc/25/50/40/563255040.db2.gz ADQIRTYKHWRENL-UHFFFAOYSA-N 0 0 302.786 4.575 50 0 DJAARN CCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000000444350 563255189 /nfs/dbraw/zinc/25/51/89/563255189.db2.gz QJOCZJREFSYKFO-UHFFFAOYSA-N 0 0 318.735 4.636 50 0 DJAARN CC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000000450934 563256160 /nfs/dbraw/zinc/25/61/60/563256160.db2.gz OTVDYEAEAKFMPK-UHFFFAOYSA-N 0 0 321.163 4.760 50 0 DJAARN Cc1ccc(C(C)C)c(OCCn2cc(C=O)c3ccccc32)c1 ZINC000000451435 563256197 /nfs/dbraw/zinc/25/61/97/563256197.db2.gz KEYIJAKGEOMJPZ-UHFFFAOYSA-N 0 0 321.420 4.965 50 0 DJAARN O=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000000452712 563256635 /nfs/dbraw/zinc/25/66/35/563256635.db2.gz YIZIACLVSUPZNV-UHFFFAOYSA-N 0 0 317.591 4.659 50 0 DJAARN Cc1ccccc1CSCC(=O)Nc1cccc(Cl)c1C ZINC000000454157 563257137 /nfs/dbraw/zinc/25/71/37/563257137.db2.gz WCWUYOVKDJWBEU-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN Cc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000453589 563257230 /nfs/dbraw/zinc/25/72/30/563257230.db2.gz NMQDMFKHGGEXIY-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN O=C(Nc1ccccc1-c1ccccc1)C(Cl)(Cl)Cl ZINC000000458038 563257862 /nfs/dbraw/zinc/25/78/62/563257862.db2.gz UJEGBXZPEHISLI-UHFFFAOYSA-N 0 0 314.599 4.662 50 0 DJAARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000460308 563258394 /nfs/dbraw/zinc/25/83/94/563258394.db2.gz MQVQNUKFUHUXKH-JTQLQIEISA-N 0 0 309.793 4.598 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000458832 563258396 /nfs/dbraw/zinc/25/83/96/563258396.db2.gz GOQHUZMTSUBTCD-UHFFFAOYSA-N 0 0 317.816 4.618 50 0 DJAARN Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000000460896 563258511 /nfs/dbraw/zinc/25/85/11/563258511.db2.gz BTBUGHINQKQOFP-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN CC[C@@H](C)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 ZINC000000463289 563258992 /nfs/dbraw/zinc/25/89/92/563258992.db2.gz GXAIRQFZBPPPNK-MRXNPFEDSA-N 0 0 311.425 4.834 50 0 DJAARN CC(C)(C)c1cc(C(=O)Nc2nccs2)cc(C(C)(C)C)c1 ZINC000000462569 563259144 /nfs/dbraw/zinc/25/91/44/563259144.db2.gz JKLPLPDMAABEKW-UHFFFAOYSA-N 0 0 316.470 4.990 50 0 DJAARN S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccccn1 ZINC000000469324 563259911 /nfs/dbraw/zinc/25/99/11/563259911.db2.gz MHSXFZQXSSCGHG-UHFFFAOYSA-N 0 0 321.405 4.683 50 0 DJAARN CSc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000000468900 563259928 /nfs/dbraw/zinc/25/99/28/563259928.db2.gz KNXMFRKDKCMOPU-JXMROGBWSA-N 0 0 303.814 4.714 50 0 DJAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000468773 563260118 /nfs/dbraw/zinc/26/01/18/563260118.db2.gz KHOCDLRSTFFEDL-LLVKDONJSA-N 0 0 323.820 4.740 50 0 DJAARN COc1ccccc1/C=C/C(=O)Nc1cccc2ccccc21 ZINC000000472658 563261168 /nfs/dbraw/zinc/26/11/68/563261168.db2.gz MKAXZRXBBBGPRI-BUHFOSPRSA-N 0 0 303.361 4.500 50 0 DJAARN Cc1ccc(C)c(COc2cc(C)cc3oc(=O)cc(C)c23)c1 ZINC000000472470 563261188 /nfs/dbraw/zinc/26/11/88/563261188.db2.gz IVKABSFZRSMWET-UHFFFAOYSA-N 0 0 308.377 4.606 50 0 biogenic DJAARN Cc1ccc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)o1 ZINC000000474276 563261814 /nfs/dbraw/zinc/26/18/14/563261814.db2.gz FWCXISXTMGEDLV-BUHFOSPRSA-N 0 0 318.376 4.984 50 0 DJAARN Nc1cccnc1Sc1cc(Cl)c(Cl)cc1Cl ZINC000000480506 563262303 /nfs/dbraw/zinc/26/23/03/563262303.db2.gz YAOQBIXSQAUGGK-UHFFFAOYSA-N 0 0 305.617 4.775 50 0 DJAARN COc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000000482285 563262795 /nfs/dbraw/zinc/26/27/95/563262795.db2.gz OKKRHDNCKVMYKU-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN O=C(Cc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000510948 563264168 /nfs/dbraw/zinc/26/41/68/563264168.db2.gz BGYIJKUTMNNWAK-UHFFFAOYSA-N 0 0 303.361 4.660 50 0 DJAARN CCOc1ccccc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000000545159 563265425 /nfs/dbraw/zinc/26/54/25/563265425.db2.gz WLYNBGBJDLCFPX-LBPRGKRZSA-N 0 0 315.438 4.524 50 0 DJAARN CC(C)CCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000000563005 563266705 /nfs/dbraw/zinc/26/67/05/563266705.db2.gz WZZPNIVMUFHKDD-UHFFFAOYSA-N 0 0 313.466 4.755 50 0 DJAARN Cc1cc(C)nc(NC(=S)Nc2cccc3ccccc32)c1 ZINC000000611896 563268713 /nfs/dbraw/zinc/26/87/13/563268713.db2.gz FOEOPBNDOUXJNZ-UHFFFAOYSA-N 0 0 307.422 4.661 50 0 DJAARN Cc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)nc1 ZINC000000610009 563268826 /nfs/dbraw/zinc/26/88/26/563268826.db2.gz JUBBPQVQQZDCJK-UHFFFAOYSA-N 0 0 312.225 4.506 50 0 DJAARN Cc1cc(OCc2cccc(Cl)c2)c2c(C)cc(=O)oc2c1 ZINC000000616207 563270138 /nfs/dbraw/zinc/27/01/38/563270138.db2.gz QMLIQDVERVYHQJ-UHFFFAOYSA-N 0 0 314.768 4.642 50 0 DJAARN CCC(CC)c1nnc(NC(=O)C[C@@H](C)c2ccccc2)s1 ZINC000000804750 563271847 /nfs/dbraw/zinc/27/18/47/563271847.db2.gz FDMJSQBTTGTOLE-GFCCVEGCSA-N 0 0 317.458 4.574 50 0 DJAARN CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000977158 563273345 /nfs/dbraw/zinc/27/33/45/563273345.db2.gz BLNIYEIMTLMHGY-IAGOWNOFSA-N 0 0 309.453 4.866 50 0 in-vitro DJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000000998822 563273642 /nfs/dbraw/zinc/27/36/42/563273642.db2.gz BTEPASVZIWNQKU-CZHKVUGUSA-N 0 0 312.240 4.796 50 0 DJAARN CCc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001003662 563273867 /nfs/dbraw/zinc/27/38/67/563273867.db2.gz PCYMJCITELPOJD-UHFFFAOYSA-N 0 0 316.400 4.987 50 0 DJAARN CCCC(=O)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000000989766 563274061 /nfs/dbraw/zinc/27/40/61/563274061.db2.gz ZWMGDNNEYDLWDA-UHFFFAOYSA-N 0 0 308.381 4.850 50 0 DJAARN CSc1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000001005328 563274489 /nfs/dbraw/zinc/27/44/89/563274489.db2.gz KIHFOSIMQAUTCH-UHFFFAOYSA-N 0 0 323.417 4.579 50 0 DJAARN Cc1ccc(C(=O)CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000001033775 563274887 /nfs/dbraw/zinc/27/48/87/563274887.db2.gz GAZRKUTYBCVSHB-UHFFFAOYSA-N 0 0 315.416 4.885 50 0 DJAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)s1 ZINC000001053875 563275633 /nfs/dbraw/zinc/27/56/33/563275633.db2.gz NNVLVBHMQJXKBU-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN C[C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000001150785 563277936 /nfs/dbraw/zinc/27/79/36/563277936.db2.gz YLEDWMYWUPHWTI-GOSISDBHSA-N 0 0 321.464 4.662 50 0 DJAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000001113262 563277960 /nfs/dbraw/zinc/27/79/60/563277960.db2.gz AREMXVNQGLFPAE-UHFFFAOYSA-N 0 0 311.384 4.921 50 0 DJAARN CCc1cc(=O)oc2cc(C)cc(OCc3cc(C)ccc3C)c12 ZINC000001165203 563278464 /nfs/dbraw/zinc/27/84/64/563278464.db2.gz ONGYYPRIQPTJJD-UHFFFAOYSA-N 0 0 322.404 4.860 50 0 DJAARN Cc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 ZINC000001184259 563278626 /nfs/dbraw/zinc/27/86/26/563278626.db2.gz OPQKABBJYFCPDS-UHFFFAOYSA-N 0 0 315.416 4.940 50 0 DJAARN Cc1ccc(Cn2c3ccccc3nc2Cc2ccccc2)cc1 ZINC000001183317 563278643 /nfs/dbraw/zinc/27/86/43/563278643.db2.gz HLPBBOFOAYRJHN-UHFFFAOYSA-N 0 0 312.416 4.984 50 0 DJAARN O=C(NC1CCCCC1)c1ccccc1CCc1ccccc1 ZINC000001191557 563279321 /nfs/dbraw/zinc/27/93/21/563279321.db2.gz BALYKYXVLDNMLO-UHFFFAOYSA-N 0 0 307.437 4.534 50 0 DJAARN CC1=CC(C)(C)N(C(=O)/C=C/c2ccccc2)c2ccccc21 ZINC000001228630 563280152 /nfs/dbraw/zinc/28/01/52/563280152.db2.gz PTPCMHZGEKZVGP-BUHFOSPRSA-N 0 0 303.405 4.929 50 0 biogenic DJAARN COc1ccccc1O[P@@](C)(=O)Nc1ccc(C)cc1C ZINC000001261974 563280679 /nfs/dbraw/zinc/28/06/79/563280679.db2.gz QIQFVNQOBMKIGY-OAQYLSRUSA-N 0 0 305.314 4.626 50 0 DJAARN Brc1ccsc1-c1csc(-c2ccncc2)n1 ZINC000001403079 563282817 /nfs/dbraw/zinc/28/28/17/563282817.db2.gz LQGDQFAIJXKUCO-UHFFFAOYSA-N 0 0 323.240 4.696 50 0 DJAARN Cc1nc(CSc2nc(-c3ccccc3)cs2)cs1 ZINC000001422643 563283385 /nfs/dbraw/zinc/28/33/85/563283385.db2.gz GYMZUUZBHZLPAV-UHFFFAOYSA-N 0 0 304.465 4.867 50 0 DJAARN O=C(/C=C/c1cccc2ccccc12)N1CCCc2ccccc21 ZINC000001448334 563284316 /nfs/dbraw/zinc/28/43/16/563284316.db2.gz FPXRIYGFLAQUGX-CCEZHUSRSA-N 0 0 313.400 4.832 50 0 DJAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000001738654 563294640 /nfs/dbraw/zinc/29/46/40/563294640.db2.gz CNSUWVXICRPAOT-WUKNDPDISA-N 0 0 313.400 4.933 50 0 DJAARN O=C(CCCOc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000001779480 563295607 /nfs/dbraw/zinc/29/56/07/563295607.db2.gz LXMIEXRJBLQTGA-UHFFFAOYSA-N 0 0 323.314 4.503 50 0 DJAARN O=C(CCCOc1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000001777326 563295929 /nfs/dbraw/zinc/29/59/29/563295929.db2.gz PYYOLAJADVUPCU-UHFFFAOYSA-N 0 0 324.207 4.791 50 0 DJAARN CCCCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002095623 563299524 /nfs/dbraw/zinc/29/95/24/563299524.db2.gz ZRJCUKSQZJHCDN-UHFFFAOYSA-N 0 0 306.406 4.858 50 0 DJAARN O=C(C[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002168764 563300833 /nfs/dbraw/zinc/30/08/33/563300833.db2.gz UDJIUKWJBHQMBG-HXUWFJFHSA-N 0 0 314.384 4.926 50 0 DJAARN COc1ccc(CNc2ccc3c4c(cccc42)CC3)cc1OC ZINC000002360903 563302801 /nfs/dbraw/zinc/30/28/01/563302801.db2.gz DIVKOHIYFDAXSJ-UHFFFAOYSA-N 0 0 319.404 4.568 50 0 DJAARN CCCCSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000002313719 563303114 /nfs/dbraw/zinc/30/31/14/563303114.db2.gz QLRZVWARUSAHQG-UHFFFAOYSA-N 0 0 324.449 4.586 50 0 DJAARN CCCCCC[C@H](C)NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002481395 563304431 /nfs/dbraw/zinc/30/44/31/563304431.db2.gz MZIRWRKFALIQRG-AWEZNQCLSA-N 0 0 314.429 4.739 50 0 DJAARN Clc1sc(Cl)c(Br)c1Br ZINC000002510119 563305252 /nfs/dbraw/zinc/30/52/52/563305252.db2.gz CQDQDBHWDGWKHL-UHFFFAOYSA-N 0 0 310.825 4.580 50 0 DJAARN COc1cccc(CCC(=O)c2cccc(Cl)c2Cl)c1 ZINC000002516529 563306731 /nfs/dbraw/zinc/30/67/31/563306731.db2.gz KBGLSTBUAICBNO-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN O=C(CCc1cccc(Br)c1)c1ccccc1Cl ZINC000002516722 563306885 /nfs/dbraw/zinc/30/68/85/563306885.db2.gz GZKFPUNUVMVVRA-UHFFFAOYSA-N 0 0 323.617 4.918 50 0 DJAARN Cc1ccc(CCC(=O)c2ccc(Br)cc2)cc1C ZINC000002517643 563307224 /nfs/dbraw/zinc/30/72/24/563307224.db2.gz SMNMKERDPWLJNI-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN FC(F)(F)c1cc(Cl)c2cc(Br)ccc2n1 ZINC000002526208 563307701 /nfs/dbraw/zinc/30/77/01/563307701.db2.gz JKEQQFAWABXNFV-UHFFFAOYSA-N 0 0 310.500 4.670 50 0 DJAARN Cc1cccc(COc2ccc3c(c2)oc(=O)c2c3CCCC2)c1 ZINC000002551145 563308197 /nfs/dbraw/zinc/30/81/97/563308197.db2.gz FQRHOHYQPVDGHD-UHFFFAOYSA-N 0 0 320.388 4.559 50 0 DJAARN COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000002585397 563310538 /nfs/dbraw/zinc/31/05/38/563310538.db2.gz IPIUNLMDSXJBFQ-OAHLLOKOSA-N 0 0 320.429 4.552 50 0 DJAARN CC(C)OC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1 ZINC000002752874 563312603 /nfs/dbraw/zinc/31/26/03/563312603.db2.gz MJOPUQMGBPKCFT-UHFFFAOYSA-N 0 0 302.370 4.547 50 0 DJAARN CC(C)(C)c1ccc(C(=O)NCCSC2CCCCC2)cc1 ZINC000002814713 563313525 /nfs/dbraw/zinc/31/35/25/563313525.db2.gz IAJIMXCUQZUCNZ-UHFFFAOYSA-N 0 0 319.514 4.780 50 0 DJAARN Cc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1C ZINC000002814403 563313739 /nfs/dbraw/zinc/31/37/39/563313739.db2.gz LYSIHNUOIQGLTF-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN CCCCc1ccc(NC(=S)NCc2ccc(F)cc2)cc1 ZINC000002836896 563314218 /nfs/dbraw/zinc/31/42/18/563314218.db2.gz KIJWGKDATDQTKE-UHFFFAOYSA-N 0 0 316.445 4.655 50 0 DJAARN Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000002845134 563314899 /nfs/dbraw/zinc/31/48/99/563314899.db2.gz LMEYUNDBWMEKLT-UHFFFAOYSA-N 0 0 301.389 4.592 50 0 DJAARN CCCCc1ccc(NC(=O)COc2c(C)cccc2C)cc1 ZINC000002862254 563315359 /nfs/dbraw/zinc/31/53/59/563315359.db2.gz FKGMFZSQDFMDRV-UHFFFAOYSA-N 0 0 311.425 4.664 50 0 DJAARN COc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)c1 ZINC000002862379 563315547 /nfs/dbraw/zinc/31/55/47/563315547.db2.gz POTDIBTZTJWIHB-UHFFFAOYSA-N 0 0 317.439 4.636 50 0 DJAARN O=Cc1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000002866720 563315597 /nfs/dbraw/zinc/31/55/97/563315597.db2.gz WZEDMTHKTNIQEI-UHFFFAOYSA-N 0 0 313.784 4.576 50 0 DJAARN CC(=O)c1c(C)n(CCCOc2ccccc2C)c2ccccc21 ZINC000002880181 563316794 /nfs/dbraw/zinc/31/67/94/563316794.db2.gz FLNDZZRBPSQEPM-UHFFFAOYSA-N 0 0 321.420 4.930 50 0 DJAARN Cc1cc(NC(=O)Nc2ccccc2F)ccc1Br ZINC000002889968 563317040 /nfs/dbraw/zinc/31/70/40/563317040.db2.gz PCWHFXMSJOSOGB-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN COc1cccc(OCCCCOc2cc(C)cc(C)c2)c1 ZINC000002904544 563317545 /nfs/dbraw/zinc/31/75/45/563317545.db2.gz NPSYCVBRJROEIM-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN COc1cccc(OCCCCOc2ccc(Cl)cc2)c1 ZINC000002904316 563317564 /nfs/dbraw/zinc/31/75/64/563317564.db2.gz VRBXGUNCCRBQQM-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN COc1ccccc1OCCCCOc1cccc(C)c1C ZINC000002904301 563317650 /nfs/dbraw/zinc/31/76/50/563317650.db2.gz MBTKOASWMGOTTB-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN COc1ccc(OCCCOc2cccc3ccccc32)cc1 ZINC000002904325 563317732 /nfs/dbraw/zinc/31/77/32/563317732.db2.gz YFEOIIIGYYGZQS-UHFFFAOYSA-N 0 0 308.377 4.696 50 0 DJAARN COc1cc(C)ccc1OCCCOc1ccc(Cl)cc1 ZINC000002985473 563319229 /nfs/dbraw/zinc/31/92/29/563319229.db2.gz NFMMBAWNSZJEBT-UHFFFAOYSA-N 0 0 306.789 4.505 50 0 DJAARN COc1ccc(OCCOc2ccc(C)cc2C(C)(C)C)cc1 ZINC000002987086 563319918 /nfs/dbraw/zinc/31/99/18/563319918.db2.gz ULSWBNWGGYIRMF-UHFFFAOYSA-N 0 0 314.425 4.759 50 0 DJAARN Cc1cc(C)cc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003137066 563322568 /nfs/dbraw/zinc/32/25/68/563322568.db2.gz CMHGGIYVKJNQTK-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN CC(C)(C)c1ccc(CSCC(=O)Nc2ccccc2)cc1 ZINC000003184371 563323220 /nfs/dbraw/zinc/32/32/20/563323220.db2.gz KFZKWHADWYJMKW-UHFFFAOYSA-N 0 0 313.466 4.856 50 0 DJAARN Clc1ccc(SCc2noc(-c3ccsc3)n2)cc1 ZINC000003153577 563323249 /nfs/dbraw/zinc/32/32/49/563323249.db2.gz URUHYJXRUDSNIY-UHFFFAOYSA-N 0 0 308.815 4.744 50 0 DJAARN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)CC(C)(C)C ZINC000034795091 563323787 /nfs/dbraw/zinc/32/37/87/563323787.db2.gz GOXNVOKQHNLNFF-UHFFFAOYSA-N 0 0 317.408 4.543 50 0 DJAARN Cc1cc(C)c(C)c(OCc2noc(-c3ccccc3C)n2)c1 ZINC000034906953 563324427 /nfs/dbraw/zinc/32/44/27/563324427.db2.gz JWJRPBNHUNWCTM-UHFFFAOYSA-N 0 0 308.381 4.549 50 0 DJAARN Cc1cccc(OCc2noc(-c3cccc4ccccc43)n2)c1 ZINC000034907004 563324561 /nfs/dbraw/zinc/32/45/61/563324561.db2.gz CUIWUAKVQDCEBM-UHFFFAOYSA-N 0 0 316.360 4.777 50 0 DJAARN CCCCCCC(=O)Nc1c(-c2ccco2)nc2ccccn21 ZINC000034912631 563324956 /nfs/dbraw/zinc/32/49/56/563324956.db2.gz CPNPHFLNYAVLHQ-UHFFFAOYSA-N 0 0 311.385 4.503 50 0 DJAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C(C)(C)C)cc1 ZINC000034912884 563325320 /nfs/dbraw/zinc/32/53/20/563325320.db2.gz ZCEMWFVXRADEMD-UHFFFAOYSA-N 0 0 321.424 4.603 50 0 DJAARN O=C(NC1CCCC1)c1ccccc1SCc1ccccc1 ZINC000004843359 563328219 /nfs/dbraw/zinc/32/82/19/563328219.db2.gz ARDMICKSTYNARD-UHFFFAOYSA-N 0 0 311.450 4.651 50 0 DJAARN CCCc1cc(N[C@@H](C)CC)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002364187 563332766 /nfs/dbraw/zinc/33/27/66/563332766.db2.gz KRYBBPISGMTWEK-AWEZNQCLSA-N 0 0 322.456 4.868 50 0 DJAARN Cc1ccc2c(c1)Cc1c(nc(-c3ccc(F)cc3)[nH]c1=S)O2 ZINC000002699137 563338751 /nfs/dbraw/zinc/33/87/51/563338751.db2.gz FUNJHYHVCAZUJG-UHFFFAOYSA-N 0 0 324.380 4.576 50 0 DJAARN Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(C)cc1C ZINC000002718328 563339426 /nfs/dbraw/zinc/33/94/26/563339426.db2.gz XJOQZSLYQRHLHB-UHFFFAOYSA-N 0 0 324.449 4.824 50 0 DJAARN CCc1nn2c(nc(C)cc2NC2CCCC2)c1-c1ccccc1 ZINC000007636237 563340056 /nfs/dbraw/zinc/34/00/56/563340056.db2.gz GRNCIPBGNMPFRD-UHFFFAOYSA-N 0 0 320.440 4.622 50 0 DJAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000002741467 563340288 /nfs/dbraw/zinc/34/02/88/563340288.db2.gz SSELRKLORIZJEC-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN CCCCN(CCCC)C(=O)/C=C/c1c(F)cccc1Cl ZINC000002752973 563341326 /nfs/dbraw/zinc/34/13/26/563341326.db2.gz IMDVNEBWDXASAC-ZHACJKMWSA-N 0 0 311.828 4.921 50 0 DJAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000002764359 563341564 /nfs/dbraw/zinc/34/15/64/563341564.db2.gz JXQYEHIXGRVDME-INIZCTEOSA-N 0 0 319.404 4.863 50 0 DJAARN O=C(Nc1nc(-c2ccccc2)cs1)Nc1ccc(F)cc1 ZINC000008064284 563344042 /nfs/dbraw/zinc/34/40/42/563344042.db2.gz 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/nfs/dbraw/zinc/37/98/84/563379884.db2.gz VZDHZIRMRDBSDY-AOOOYVTPSA-N 0 0 301.217 4.503 50 0 DJAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1cccc(C)c1 ZINC000013326533 563380905 /nfs/dbraw/zinc/38/09/05/563380905.db2.gz VTQCWZIASKFIBX-UHFFFAOYSA-N 0 0 323.465 4.874 50 0 DJAARN Cc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000013483235 563382848 /nfs/dbraw/zinc/38/28/48/563382848.db2.gz WFKARQGQMJWJHB-UHFFFAOYSA-N 0 0 321.243 4.566 50 0 aggregator DJAARN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000013546697 563383430 /nfs/dbraw/zinc/38/34/30/563383430.db2.gz YKXUVHMVQAWLHN-GXDHUFHOSA-N 0 0 315.781 4.581 50 0 DJAARN Cc1cc2o/c(=N/O)cc(C)c2c2occ(-c3ccc(F)cc3)c21 ZINC000013727485 563387895 /nfs/dbraw/zinc/38/78/95/563387895.db2.gz QGHQXCZLWIMMEI-LTGZKZEYSA-N 0 0 323.323 4.892 50 0 DJAARN CCc1ccccc1NC(=O)c1occc1COc1ccccc1 ZINC000014049899 563394620 /nfs/dbraw/zinc/39/46/20/563394620.db2.gz TVWATRJSRNICFI-UHFFFAOYSA-N 0 0 321.376 4.673 50 0 DJAARN CCCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)sc1C ZINC000014070452 563394958 /nfs/dbraw/zinc/39/49/58/563394958.db2.gz YJDFORHBIPGYKN-JTQLQIEISA-N 0 0 323.408 4.778 50 0 DJAARN CCCCc1oc2ccccc2c1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000014095061 563395616 /nfs/dbraw/zinc/39/56/16/563395616.db2.gz QTHBYZAHNPSLPH-LJQANCHMSA-N 0 0 320.392 4.630 50 0 DJAARN CC(C)(C)c1cnc(CSc2nc3cc(Cl)ccc3[nH]2)o1 ZINC000032809553 563398995 /nfs/dbraw/zinc/39/89/95/563398995.db2.gz XYGLFHWYIYHXHC-UHFFFAOYSA-N 0 0 321.833 4.794 50 0 DJAARN O=C(Nc1ccccc1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000014246006 563399718 /nfs/dbraw/zinc/39/97/18/563399718.db2.gz QOKHKDAFTZPEDZ-AWEZNQCLSA-N 0 0 318.829 4.699 50 0 DJAARN C[C@@H]1CCc2c(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)csc2C1 ZINC000032837361 563400847 /nfs/dbraw/zinc/40/08/47/563400847.db2.gz HMVOQHXAXGPZBV-QLFBSQMISA-N 0 0 317.498 4.525 50 0 DJAARN Nc1cc(Br)ccc1Oc1ccc2ccccc2c1 ZINC000014631045 563402172 /nfs/dbraw/zinc/40/21/72/563402172.db2.gz CMGXSLCQIVAUAN-UHFFFAOYSA-N 0 0 314.182 4.977 50 0 DJAARN Fc1ccc(CNc2ncnc3c(Cl)cc(Cl)cc23)cc1 ZINC000032853407 563402228 /nfs/dbraw/zinc/40/22/28/563402228.db2.gz ZEGUWHVRPSHTTF-UHFFFAOYSA-N 0 0 322.170 4.688 50 0 DJAARN Cc1ccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)s1 ZINC000014861798 563404021 /nfs/dbraw/zinc/40/40/21/563404021.db2.gz FZTGLORGTFZNHR-UHFFFAOYSA-N 0 0 302.424 4.535 50 0 DJAARN O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1c1ccccc1 ZINC000015011688 563405395 /nfs/dbraw/zinc/40/53/95/563405395.db2.gz JFFCUEPPOHWOCE-GXDHUFHOSA-N 0 0 315.781 4.581 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(F)cc1F ZINC000015010984 563405545 /nfs/dbraw/zinc/40/55/45/563405545.db2.gz YPJBBRNZBUNEFZ-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN CCN1c2ccccc2[C@H](Cc2oc3ccc(C)cc3c2C)C1=O ZINC000015018114 563406187 /nfs/dbraw/zinc/40/61/87/563406187.db2.gz YJOMRLIKFZKCLE-KRWDZBQOSA-N 0 0 319.404 4.742 50 0 DJAARN O=C(c1cccc(Cl)c1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000032883765 563407810 /nfs/dbraw/zinc/40/78/10/563407810.db2.gz UWMWPXJDHBUHHO-OAHLLOKOSA-N 0 0 320.219 4.971 50 0 DJAARN c1ccc2c(c1)SCCCN2Cc1cccc2cccnc21 ZINC000032901328 563409998 /nfs/dbraw/zinc/40/99/98/563409998.db2.gz DIDCDDVZOHWHHX-UHFFFAOYSA-N 0 0 306.434 4.737 50 0 DJAARN CS/C(=C\C(=O)c1ccc(C)cc1)C(=O)c1ccc(C)cc1 ZINC000000383292 563413964 /nfs/dbraw/zinc/41/39/64/563413964.db2.gz QUYAJSWRTMGJIQ-PDGQHHTCSA-N 0 0 310.418 4.616 50 0 DJAARN O=C(c1ccccc1)[C@@H](CN(O)c1ccccc1)c1ccccc1 ZINC000000405009 563414621 /nfs/dbraw/zinc/41/46/21/563414621.db2.gz RIEHTOQGVYEPBR-FQEVSTJZSA-N 0 0 317.388 4.549 50 0 DJAARN C/C=C/Cn1c(C(=O)NCc2ccccc2)cc2sc(C)cc21 ZINC000037526697 563415802 /nfs/dbraw/zinc/41/58/02/563415802.db2.gz ZXCZTSQFTRTFEK-ONEGZZNKSA-N 0 0 324.449 4.517 50 0 DJAARN FC(F)(F)c1nn(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000019878893 563416323 /nfs/dbraw/zinc/41/63/23/563416323.db2.gz RCWYFZKLTBQKBZ-UHFFFAOYSA-N 0 0 310.706 4.757 50 0 DJAARN O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1CCCCC1 ZINC000025929396 563424491 /nfs/dbraw/zinc/42/44/91/563424491.db2.gz AOVOVBHDHHEPPI-UHFFFAOYSA-N 0 0 310.397 4.738 50 0 DJAARN Cc1nc2ccccc2n1C(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000026964825 563427511 /nfs/dbraw/zinc/42/75/11/563427511.db2.gz JTIWJAYMDDYRDS-QMTHXVAHSA-N 0 0 323.223 4.576 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1C ZINC000027583510 563428741 /nfs/dbraw/zinc/42/87/41/563428741.db2.gz PEDSJAKTNARBQE-UHFFFAOYSA-N 0 0 320.392 4.828 50 0 DJAARN CC(C)c1ccc(SCc2nc(N)c3ccccc3n2)cc1 ZINC000027684581 563429542 /nfs/dbraw/zinc/42/95/42/563429542.db2.gz VWRPRALUPYRAFM-UHFFFAOYSA-N 0 0 309.438 4.628 50 0 DJAARN C[C@H](NC(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000028988999 563432954 /nfs/dbraw/zinc/43/29/54/563432954.db2.gz PNIGPDNEOOEJEG-NSHDSACASA-N 0 0 308.303 4.588 50 0 DJAARN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000028881118 563433282 /nfs/dbraw/zinc/43/32/82/563433282.db2.gz AZQORLIFFSBQPP-INIZCTEOSA-N 0 0 321.342 4.515 50 0 DJAARN C[C@H](Sc1ccccc1Cl)c1nc(-c2ccco2)no1 ZINC000029738142 563435306 /nfs/dbraw/zinc/43/53/06/563435306.db2.gz ZKSBQHYMBARTPL-VIFPVBQESA-N 0 0 306.774 4.836 50 0 DJAARN Cc1cccc(NC(=O)c2ccc(CSc3ccccc3)o2)n1 ZINC000030557409 563437044 /nfs/dbraw/zinc/43/70/44/563437044.db2.gz SVDBOSCGQVEQSF-UHFFFAOYSA-N 0 0 324.405 4.528 50 0 DJAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc2ccccc21 ZINC000071279328 563445015 /nfs/dbraw/zinc/44/50/15/563445015.db2.gz WEVVKQCWUMSEFH-MRXNPFEDSA-N 0 0 305.381 4.741 50 0 DJAARN CSc1ccc(Oc2ccc(Br)cc2C=O)cc1 ZINC000033414765 563445656 /nfs/dbraw/zinc/44/56/56/563445656.db2.gz PIVMTZFMZCZUIY-UHFFFAOYSA-N 0 0 323.211 4.776 50 0 DJAARN O=C(NC1CCCC1)N1c2ccccc2Sc2ccccc21 ZINC000000088021 563446762 /nfs/dbraw/zinc/44/67/62/563446762.db2.gz WVGVWICAQSPEPE-UHFFFAOYSA-N 0 0 310.422 4.942 50 0 in-vivo DJAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccccn2)o1 ZINC000000170827 563446939 /nfs/dbraw/zinc/44/69/39/563446939.db2.gz KGUXKBQNUYBSDJ-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Clc1ccc(CSc2nccn2Cc2ccccc2)cc1 ZINC000000286897 563447553 /nfs/dbraw/zinc/44/75/53/563447553.db2.gz DXFQOZHIWCKOFB-UHFFFAOYSA-N 0 0 314.841 4.877 50 0 DJAARN O=C(Nc1ncc(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000000819596 563448078 /nfs/dbraw/zinc/44/80/78/563448078.db2.gz KBCAEIWOKJXGJP-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1Cl ZINC000005020750 563450469 /nfs/dbraw/zinc/45/04/69/563450469.db2.gz FEUAGQXHARCDAW-UHFFFAOYSA-N 0 0 316.575 4.686 50 0 DJAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000035561618 563453454 /nfs/dbraw/zinc/45/34/54/563453454.db2.gz XCGDAOXQGSDYST-SFHVURJKSA-N 0 0 312.388 4.975 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1C ZINC000036620306 563455487 /nfs/dbraw/zinc/45/54/87/563455487.db2.gz IGAGFILIROXJRI-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000036620578 563455942 /nfs/dbraw/zinc/45/59/42/563455942.db2.gz AKKQJQWINCRGJS-SFHVURJKSA-N 0 0 312.388 4.757 50 0 DJAARN O=C(c1c(F)cccc1F)N1CCC[C@H]1c1ccccc1Cl ZINC000036620945 563455955 /nfs/dbraw/zinc/45/59/55/563455955.db2.gz CEVXLPDCGAZGHV-HNNXBMFYSA-N 0 0 321.754 4.596 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000036620700 563455963 /nfs/dbraw/zinc/45/59/63/563455963.db2.gz RGVNMNOXJRXHLW-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000036620468 563456064 /nfs/dbraw/zinc/45/60/64/563456064.db2.gz XTUMHZBKDRUFSI-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000036620729 563456083 /nfs/dbraw/zinc/45/60/83/563456083.db2.gz NYWVDYABCQPEMP-LJQANCHMSA-N 0 0 308.425 4.926 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000036621008 563456121 /nfs/dbraw/zinc/45/61/21/563456121.db2.gz RUYZBPFDAQXGRO-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN CC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000032976265 563457209 /nfs/dbraw/zinc/45/72/09/563457209.db2.gz YJHSHMUMSHVVCK-UHFFFAOYSA-N 0 0 315.372 4.809 50 0 DJAARN Clc1nc(-c2ccsc2)nc2sc3c(c21)CCCC3 ZINC000036825809 563457480 /nfs/dbraw/zinc/45/74/80/563457480.db2.gz NTQDLGSYJCGYCE-UHFFFAOYSA-N 0 0 306.843 4.952 50 0 DJAARN Cc1cc2c(cc1Cl)Nc1cc(-c3ccccc3)nnc1N2C ZINC000048896623 563466559 /nfs/dbraw/zinc/46/65/59/563466559.db2.gz PSWSWZIYNHHYHB-UHFFFAOYSA-N 0 0 322.799 4.930 50 0 DJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(F)cc1Cl ZINC000049544869 563467731 /nfs/dbraw/zinc/46/77/31/563467731.db2.gz AWQSCLPLOOOZFG-LLVKDONJSA-N 0 0 321.783 4.554 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C ZINC000051354174 563468681 /nfs/dbraw/zinc/46/86/81/563468681.db2.gz GPZXGANKKIUJJB-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN CC[C@@H](C)N(Cc1ccsc1)Cc1csc(C(C)=O)c1 ZINC000055271254 563473929 /nfs/dbraw/zinc/47/39/29/563473929.db2.gz LRQJFRBSUAIIGL-GFCCVEGCSA-N 0 0 307.484 4.813 50 0 DJAARN O=C(Nc1ccccc1CCC(F)(F)F)[C@@H]1C[C@H]1c1ccco1 ZINC000096462314 563483513 /nfs/dbraw/zinc/48/35/13/563483513.db2.gz NMFSGHPFHAVVAE-CHWSQXEVSA-N 0 0 323.314 4.517 50 0 DJAARN CC(C)c1cc([C@H]2CCCN2Cc2ccc(Cl)cc2)on1 ZINC000064984514 563486849 /nfs/dbraw/zinc/48/68/49/563486849.db2.gz FVURQUXGCZXLES-MRXNPFEDSA-N 0 0 304.821 4.789 50 0 DJAARN C[C@@H](CC(=O)Nc1ncc(Cl)cc1Cl)CC(C)(C)C ZINC000068741314 563495730 /nfs/dbraw/zinc/49/57/30/563495730.db2.gz CMKUAUWVZJEJDU-VIFPVBQESA-N 0 0 303.233 4.789 50 0 DJAARN Cc1ccc2c(c1)/C(=C/c1ccc3c(c1)OCO3)c1cccnc1-2 ZINC000000028943 563495847 /nfs/dbraw/zinc/49/58/47/563495847.db2.gz GWRLNUQLATUCDS-VCHYOVAHSA-N 0 0 313.356 4.688 50 0 biogenic DJAARN CCc1ccccc1NC(=O)c1cccnc1-c1ccc(C)s1 ZINC000033139059 563497319 /nfs/dbraw/zinc/49/73/19/563497319.db2.gz CQLXBMRPOBDQET-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN C[C@@]12Cc3ccccc3O[C@]1(c1cccs1)C2(Cl)Cl ZINC000004686075 563497953 /nfs/dbraw/zinc/49/79/53/563497953.db2.gz OCKXTBSFLRCIAI-KGLIPLIRSA-N 0 0 311.233 4.772 50 0 DJAARN Cc1nn2c(nccc2-c2ccccc2)c1-c1ccc(F)cc1 ZINC000071375625 563499176 /nfs/dbraw/zinc/49/91/76/563499176.db2.gz VPSVCWBWOQOFJN-UHFFFAOYSA-N 0 0 303.340 4.511 50 0 DJAARN COc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000075282924 563504803 /nfs/dbraw/zinc/50/48/03/563504803.db2.gz BLUMCNOTEFEZGV-UHFFFAOYSA-N 0 0 317.388 4.542 50 0 DJAARN Cc1cc(C)cc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000000031552 563505603 /nfs/dbraw/zinc/50/56/03/563505603.db2.gz DRKUNUVEXXMEPL-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN Cc1cccc2c1ncnc2N1CCCCC[C@H]1c1ccco1 ZINC000097163721 563507607 /nfs/dbraw/zinc/50/76/07/563507607.db2.gz JXETUFIOHCAWNG-INIZCTEOSA-N 0 0 307.397 4.653 50 0 DJAARN Cc1cnc(CNC2(c3ccc(C(C)(C)C)cc3)CCCC2)o1 ZINC000097230798 563513987 /nfs/dbraw/zinc/51/39/87/563513987.db2.gz FISSPTQCWNDKIU-UHFFFAOYSA-N 0 0 312.457 4.840 50 0 DJAARN CC(C)n1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000000056321 563515346 /nfs/dbraw/zinc/51/53/46/563515346.db2.gz CPKDFBORUQCVRM-UHFFFAOYSA-N 0 0 300.789 4.850 50 0 DJAARN C/C=C/c1cc2c(c(OC)c1)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000001587485 563517438 /nfs/dbraw/zinc/51/74/38/563517438.db2.gz DMMQXURQRMNSBM-YZAYTREXSA-N 0 0 324.376 4.694 50 0 biogenic,in-vitro DJAARN Cc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)cc1 ZINC000000068219 563518632 /nfs/dbraw/zinc/51/86/32/563518632.db2.gz HJCGRJGFGTYTOW-UHFFFAOYSA-N 0 0 318.420 4.596 50 0 DJAARN Cc1ccccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327182 563521917 /nfs/dbraw/zinc/52/19/17/563521917.db2.gz CYSVRHHLKVZQQU-UHFFFAOYSA-N 0 0 307.180 4.757 50 0 DJAARN CC1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000000087211 563527040 /nfs/dbraw/zinc/52/70/40/563527040.db2.gz BVICPUDXIYCVHR-UHFFFAOYSA-N 0 0 303.409 4.533 50 0 DJAARN CCCCCc1sc(N)c(C(=O)OC)c1-c1ccccc1 ZINC000095221212 563528907 /nfs/dbraw/zinc/52/89/07/563528907.db2.gz NGCKGGPYULAGRC-UHFFFAOYSA-N 0 0 303.427 4.517 50 0 DJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000096170958 563535366 /nfs/dbraw/zinc/53/53/66/563535366.db2.gz PQSNGGJXJPLPJJ-UHFFFAOYSA-N 0 0 324.302 4.846 50 0 DJAARN O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1F ZINC000011618722 563537919 /nfs/dbraw/zinc/53/79/19/563537919.db2.gz QMNOJSBOUAZMBO-UHFFFAOYSA-N 0 0 320.367 4.543 50 0 DJAARN COc1cc(C=O)ccc1OCc1c(C)ccc2ccccc21 ZINC000098063948 563543830 /nfs/dbraw/zinc/54/38/30/563543830.db2.gz QMIRYQZLMVTQOV-UHFFFAOYSA-N 0 0 306.361 4.548 50 0 DJAARN Cc1cccc2c1CC(C)(C)n1c(-c3ccc(Cl)cc3)nnc1-2 ZINC000000104131 563569639 /nfs/dbraw/zinc/56/96/39/563569639.db2.gz UXEJWRPGBSPMPO-UHFFFAOYSA-N 0 0 323.827 4.865 50 0 DJAARN Cc1nn(-c2ccc(Cl)cc2Cl)c2c1C(=O)CC(C)(C)C2 ZINC000000111558 563570219 /nfs/dbraw/zinc/57/02/19/563570219.db2.gz MXIFDEWABPGBOL-UHFFFAOYSA-N 0 0 323.223 4.643 50 0 DJAARN Cc1cccc(-c2nc3ccccc3c(N3CCCCCC3)n2)c1 ZINC000000144306 563573241 /nfs/dbraw/zinc/57/32/41/563573241.db2.gz QJSLAHHBSQSQBF-UHFFFAOYSA-N 0 0 317.436 4.986 50 0 DJAARN c1coc(CNc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000000149260 563573371 /nfs/dbraw/zinc/57/33/71/563573371.db2.gz BXCISUYDQYKNDD-UHFFFAOYSA-N 0 0 307.378 4.563 50 0 DJAARN CSc1ccc(-c2ncnn2-c2cccc(Cl)c2C)cc1 ZINC000000180822 563575474 /nfs/dbraw/zinc/57/54/74/563575474.db2.gz VEQTUBLVWJMISM-UHFFFAOYSA-N 0 0 315.829 4.618 50 0 DJAARN O=C1CS[C@@H](c2cccc3ccccc32)N1c1ccccc1 ZINC000000180332 563575668 /nfs/dbraw/zinc/57/56/68/563575668.db2.gz ZGBXRIRMTUFCAD-IBGZPJMESA-N 0 0 305.402 4.618 50 0 DJAARN CCCn1c(C)cc(-c2csc(Nc3ccccn3)n2)c1C ZINC000023625484 563576254 /nfs/dbraw/zinc/57/62/54/563576254.db2.gz ZCEUWKGWRGHJKJ-UHFFFAOYSA-N 0 0 312.442 4.777 50 0 DJAARN Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3)o2)cc1 ZINC000011690409 563576804 /nfs/dbraw/zinc/57/68/04/563576804.db2.gz VXOQQXCHVPDJQA-UHFFFAOYSA-N 0 0 305.377 4.826 50 0 DJAARN O=C1Nc2ccc(F)cc2/C1=C/c1c(Cl)cccc1Cl ZINC000000213376 563578572 /nfs/dbraw/zinc/57/85/72/563578572.db2.gz URMTVFQXJQZIDF-YFHOEESVSA-N 0 0 308.139 4.625 50 0 DJAARN ClC1(Cl)C[C@H]1Cn1c2ccccc2nc1-c1cccs1 ZINC000000117478 563579339 /nfs/dbraw/zinc/57/93/39/563579339.db2.gz SZXFNLOXYXYFAZ-JTQLQIEISA-N 0 0 323.248 4.959 50 0 DJAARN c1sc2ncnc(N3CCCCCC3)c2c1-c1ccccc1 ZINC000000221379 563579362 /nfs/dbraw/zinc/57/93/62/563579362.db2.gz UQKMPBVJPVVKPR-UHFFFAOYSA-N 0 0 309.438 4.739 50 0 DJAARN C[C@@H]1C[C@H](C)CN(c2ncnc3scc(-c4ccccc4)c32)C1 ZINC000000223263 563579764 /nfs/dbraw/zinc/57/97/64/563579764.db2.gz YUBHSEKYUPAOCY-OKILXGFUSA-N 0 0 323.465 4.841 50 0 DJAARN CCOc1ccc(NC(=O)C[C@@H](C)Cc2ccc(C)cc2)cc1 ZINC000000249115 563581565 /nfs/dbraw/zinc/58/15/65/563581565.db2.gz CBLZZTHIKFSYEG-INIZCTEOSA-N 0 0 311.425 4.601 50 0 DJAARN O=C(Nc1ccccc1C(F)(F)F)c1c(F)cccc1Cl ZINC000000263666 563583636 /nfs/dbraw/zinc/58/36/36/563583636.db2.gz XBRAABGFNOKQCS-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cs1 ZINC000000268505 563584232 /nfs/dbraw/zinc/58/42/32/563584232.db2.gz DVEPQMPGOFEMAI-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Brc1ccc(-c2nc3cccc4cccc([nH]2)c43)o1 ZINC000000310882 563587369 /nfs/dbraw/zinc/58/73/69/563587369.db2.gz JPWAUTRDHFNTRD-UHFFFAOYSA-N 0 0 313.154 4.739 50 0 aggregator DJAARN O=Cc1ccc(OC(=O)c2ccc3ccccc3c2)c(Cl)c1 ZINC000000313520 563587385 /nfs/dbraw/zinc/58/73/85/563587385.db2.gz CDRJGVQRPLCNFO-UHFFFAOYSA-N 0 0 310.736 4.525 50 0 DJAARN CC(=O)N1c2ccc(C)cc2[C@H](Nc2ccc(C)cc2)C[C@H]1C ZINC000000315043 563587782 /nfs/dbraw/zinc/58/77/82/563587782.db2.gz RBNWAJIGDRDIOI-DNVCBOLYSA-N 0 0 308.425 4.602 50 0 DJAARN Cc1cc2c(nc(-c3ccc(-c4ccccc4)cc3)oc2=O)s1 ZINC000000348529 563589671 /nfs/dbraw/zinc/58/96/71/563589671.db2.gz XMVJVBJORSCYBS-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN C=C1C(=O)c2c(Cl)c3ccccc3c(Cl)c2C(=O)C1C ZINC000000345306 563589685 /nfs/dbraw/zinc/58/96/85/563589685.db2.gz WMNZCEVECYNQHK-UHFFFAOYSA-N 0 0 305.160 4.862 50 0 DJAARN Cc1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1 ZINC000000350229 563590199 /nfs/dbraw/zinc/59/01/99/563590199.db2.gz NOBIRAOTDWXZTB-UHFFFAOYSA-N 0 0 303.365 4.539 50 0 DJAARN O=C(Nc1cccc2cccnc21)c1ccc(C(F)(F)F)cc1 ZINC000000363773 563590788 /nfs/dbraw/zinc/59/07/88/563590788.db2.gz FEOPWTWMYRHNDY-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000000375738 563591367 /nfs/dbraw/zinc/59/13/67/563591367.db2.gz RZZRMIYFOPKADZ-IZZDOVSWSA-N 0 0 315.363 4.914 50 0 DJAARN CCc1cc(C(=O)Nc2ccc(C)cc2Br)cs1 ZINC000000372143 563591446 /nfs/dbraw/zinc/59/14/46/563591446.db2.gz ZUEIOSCQBDNEHP-UHFFFAOYSA-N 0 0 324.243 4.634 50 0 DJAARN Nc1cccc(-c2csc(Nc3ccccc3Cl)n2)c1 ZINC000033501169 563592964 /nfs/dbraw/zinc/59/29/64/563592964.db2.gz OSSHBGQZINUFGX-UHFFFAOYSA-N 0 0 301.802 4.789 50 0 DJAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccn1 ZINC000100630158 563597423 /nfs/dbraw/zinc/59/74/23/563597423.db2.gz BHSLJCDDAYDDPR-IBGZPJMESA-N 0 0 319.408 4.953 50 0 DJAARN O=C(Nc1cccc2ccccc21)N(Cc1ccco1)C1CC1 ZINC000044258529 563598991 /nfs/dbraw/zinc/59/89/91/563598991.db2.gz XCTCXOWQCDWQIA-UHFFFAOYSA-N 0 0 306.365 4.629 50 0 DJAARN CCCCC1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000011903344 563601050 /nfs/dbraw/zinc/60/10/50/563601050.db2.gz YOJSXJNPTSQPMS-UHFFFAOYSA-N 0 0 320.502 4.957 50 0 DJAARN Cc1nc(SCCc2ccccc2)cc(-c2ccccc2)n1 ZINC000012016918 563603697 /nfs/dbraw/zinc/60/36/97/563603697.db2.gz XIGILNWMAZKMEZ-UHFFFAOYSA-N 0 0 306.434 4.787 50 0 DJAARN Cc1nc(SCc2ccccc2F)cc(-c2ccccc2)n1 ZINC000012016907 563603699 /nfs/dbraw/zinc/60/36/99/563603699.db2.gz ALWBSQGHRQTFJA-UHFFFAOYSA-N 0 0 310.397 4.883 50 0 DJAARN COc1ccccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000000497047 563609430 /nfs/dbraw/zinc/60/94/30/563609430.db2.gz ZBWVATWOHZRHAA-UHFFFAOYSA-N 0 0 303.361 4.615 50 0 DJAARN COc1ccc(-c2cn(-c3ccc(Cl)cc3)c(=S)[nH]2)cc1 ZINC000000424400 563612270 /nfs/dbraw/zinc/61/22/70/563612270.db2.gz QTMYFMABMQUZEY-UHFFFAOYSA-N 0 0 316.813 4.864 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(F)c2)cc1Cl ZINC000000423857 563612272 /nfs/dbraw/zinc/61/22/72/563612272.db2.gz KSOCXSUQKSUGKG-INIZCTEOSA-N 0 0 321.804 4.566 50 0 DJAARN Cc1ccc2cc3cc(C(=O)Nc4ccc(F)cc4)oc3nc2c1 ZINC000000428965 563612797 /nfs/dbraw/zinc/61/27/97/563612797.db2.gz OJPSPVFHPLRPBO-UHFFFAOYSA-N 0 0 320.323 4.681 50 0 DJAARN Cc1ccc(NC(=O)CSc2cn(C)c3ccccc23)c(C)c1 ZINC000000425866 563613143 /nfs/dbraw/zinc/61/31/43/563613143.db2.gz CMASHOXICZSOFU-UHFFFAOYSA-N 0 0 324.449 4.526 50 0 DJAARN Clc1ccc(Nc2nc3c(cccc3Br)o2)cc1 ZINC000075566732 563616790 /nfs/dbraw/zinc/61/67/90/563616790.db2.gz VDZXLGORCFKIDB-UHFFFAOYSA-N 0 0 323.577 4.987 50 0 DJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2ccccc2c1 ZINC000005442904 563622062 /nfs/dbraw/zinc/62/20/62/563622062.db2.gz OQPHLFXPOFJCNI-HXUWFJFHSA-N 0 0 301.389 4.647 50 0 DJAARN COc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1OC ZINC000008321200 563625276 /nfs/dbraw/zinc/62/52/76/563625276.db2.gz YIEDAURFRDBIFY-XBXARRHUSA-N 0 0 315.756 4.669 50 0 DJAARN CC(C)c1ccc(CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000003131995 563625330 /nfs/dbraw/zinc/62/53/30/563625330.db2.gz WMNZHSGUWXSVEF-UHFFFAOYSA-N 0 0 317.432 4.822 50 0 DJAARN c1csc(-c2nnc(NCc3ccccc3)c3ccccc32)c1 ZINC000000091880 563628687 /nfs/dbraw/zinc/62/86/87/563628687.db2.gz QDQYNEFGAJJORC-UHFFFAOYSA-N 0 0 317.417 4.970 50 0 DJAARN Cc1ccc(C(=O)CSc2cc(C)c3ccccc3n2)cc1 ZINC000000076355 563628804 /nfs/dbraw/zinc/62/88/04/563628804.db2.gz KMFHEKJRELEEDU-UHFFFAOYSA-N 0 0 307.418 4.827 50 0 DJAARN O=C(COc1cccc2ccccc21)Nc1ccccc1Cl ZINC000000383553 563629796 /nfs/dbraw/zinc/62/97/96/563629796.db2.gz WUTMHROXOLFSCK-UHFFFAOYSA-N 0 0 311.768 4.511 50 0 DJAARN O=C1CCCc2c3cc(Cl)ccc3n(Cc3ccccc3)c21 ZINC000000478554 563629841 /nfs/dbraw/zinc/62/98/41/563629841.db2.gz GUWZWNLNYSCIKY-UHFFFAOYSA-N 0 0 309.796 4.862 50 0 DJAARN O=C(Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000456403 563630819 /nfs/dbraw/zinc/63/08/19/563630819.db2.gz MEHHTGWGKXFUIM-UHFFFAOYSA-N 0 0 323.417 4.508 50 0 DJAARN Cc1[nH]c2ccc(C(=O)Nc3nc4ccccc4s3)cc2c1C ZINC000008741404 563644302 /nfs/dbraw/zinc/64/43/02/563644302.db2.gz TYQNDTXPWDWZOW-UHFFFAOYSA-N 0 0 321.405 4.647 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C)cc1C ZINC000000484314 563645535 /nfs/dbraw/zinc/64/55/35/563645535.db2.gz BDQWFUDIIZQZBJ-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1cc(C)cc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000011424677 563650138 /nfs/dbraw/zinc/65/01/38/563650138.db2.gz MVYPSOXMSJVEDQ-UHFFFAOYSA-N 0 0 320.392 4.530 50 0 DJAARN Cc1cc(C)nc(SCc2csc(-c3ccccc3)n2)n1 ZINC000000499544 563652446 /nfs/dbraw/zinc/65/24/46/563652446.db2.gz JWUWGIJYILKUJI-UHFFFAOYSA-N 0 0 313.451 4.509 50 0 DJAARN CCOc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000013140957 563657312 /nfs/dbraw/zinc/65/73/12/563657312.db2.gz ULEHSGVFRUVPNN-UHFFFAOYSA-N 0 0 322.408 4.528 50 0 DJAARN Cc1ccc2[nH]c(SCc3c(F)cccc3Cl)nc2c1 ZINC000000512928 563660576 /nfs/dbraw/zinc/66/05/76/563660576.db2.gz YVQPSAMFVQNDMF-UHFFFAOYSA-N 0 0 306.793 4.956 50 0 DJAARN O=C(Nc1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000000515074 563661185 /nfs/dbraw/zinc/66/11/85/563661185.db2.gz JMVQRNYYPAVEMA-UHFFFAOYSA-N 0 0 301.345 4.563 50 0 DJAARN CCC[C@@H]1C[C@@H](C)C(=O)N2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000000517851 563661418 /nfs/dbraw/zinc/66/14/18/563661418.db2.gz AMKZPZBZAJMOGE-VTJXTGGHSA-N 0 0 324.468 4.614 50 0 biogenic DJAARN CCCCCn1c2ccccc2c(O)c(-c2ccccc2)c1=O ZINC000102775348 563662486 /nfs/dbraw/zinc/66/24/86/563662486.db2.gz OTRLGLWLONWXKG-UHFFFAOYSA-N 0 0 307.393 4.564 50 0 DJAARN C[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000102756023 563662659 /nfs/dbraw/zinc/66/26/59/563662659.db2.gz IWWQGYJXQABYSB-MRXNPFEDSA-N 0 0 301.389 4.767 50 0 DJAARN COc1ccc(/C=C\c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000102986221 563664049 /nfs/dbraw/zinc/66/40/49/563664049.db2.gz BUKITPUYNLXVFK-FLIBITNWSA-N 0 0 312.756 4.569 50 0 DJAARN Cc1c2cc(F)ccc2oc1-c1cc(=O)oc2ccc(C)cc21 ZINC000000534532 563666723 /nfs/dbraw/zinc/66/67/23/563666723.db2.gz OABZMAICLUUOTD-UHFFFAOYSA-N 0 0 308.308 4.962 50 0 DJAARN c1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 ZINC000000540254 563668377 /nfs/dbraw/zinc/66/83/77/563668377.db2.gz UJKVIMGKOADANM-KRWDZBQOSA-N 0 0 303.390 4.737 50 0 DJAARN Cc1cccc(-c2nc3nc4ccccc4nc3n2CC(C)C)c1 ZINC000000543277 563668704 /nfs/dbraw/zinc/66/87/04/563668704.db2.gz DAXQUOWURNVEMD-UHFFFAOYSA-N 0 0 316.408 4.611 50 0 DJAARN Cc1csc(NC(=O)c2ccc(-c3ccccc3Cl)o2)n1 ZINC000000543558 563668712 /nfs/dbraw/zinc/66/87/12/563668712.db2.gz XIILWUZWGNVOLE-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN CC[C@@H](C)n1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 ZINC000000544971 563668976 /nfs/dbraw/zinc/66/89/76/563668976.db2.gz SCPXRBDBVNCCEZ-GFCCVEGCSA-N 0 0 320.371 4.757 50 0 DJAARN c1coc(CNc2nc(Nc3ccccc3)nc3ccccc32)c1 ZINC000000546897 563669523 /nfs/dbraw/zinc/66/95/23/563669523.db2.gz JBNQXHYEUTXOCA-UHFFFAOYSA-N 0 0 316.364 4.579 50 0 DJAARN Cc1ccccc1Nc1ncc(F)c(Nc2ccccc2C)n1 ZINC000000566135 563671004 /nfs/dbraw/zinc/67/10/04/563671004.db2.gz SZANGAGXJBCJLY-UHFFFAOYSA-N 0 0 308.360 4.720 50 0 DJAARN CC[C@@H](C)Cn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000000572618 563673618 /nfs/dbraw/zinc/67/36/18/563673618.db2.gz FDTVJZUINMZSCV-CQSZACIVSA-N 0 0 324.424 4.767 50 0 DJAARN CC/C=C(/C)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000047414470 563680357 /nfs/dbraw/zinc/68/03/57/563680357.db2.gz QGHOTXCBJVLGCK-RZNTYIFUSA-N 0 0 312.438 4.669 50 0 DJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000311873 563680787 /nfs/dbraw/zinc/68/07/87/563680787.db2.gz UZTZNFGDNASOPA-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000044845116 563685597 /nfs/dbraw/zinc/68/55/97/563685597.db2.gz LIEPWCAYXQPUPK-UHFFFAOYSA-N 0 0 304.777 4.609 50 0 DJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2C)C1(C)C ZINC000108065477 563686152 /nfs/dbraw/zinc/68/61/52/563686152.db2.gz XOQTVXHPOFSNEY-QRVBRYPASA-N 0 0 311.469 4.897 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1C ZINC000051354165 563689227 /nfs/dbraw/zinc/68/92/27/563689227.db2.gz BNRTYEBONXSXQZ-UHFFFAOYSA-N 0 0 319.202 4.710 50 0 DJAARN Cc1c(F)cccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000051354544 563691163 /nfs/dbraw/zinc/69/11/63/563691163.db2.gz ZAWIGCXGKMRFHM-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000046018493 563691667 /nfs/dbraw/zinc/69/16/67/563691667.db2.gz GMUBJRQTHYVIEA-IBGZPJMESA-N 0 0 324.424 4.681 50 0 DJAARN FC(F)Sc1ccc(-c2cn3ccc(Cl)cc3n2)cc1 ZINC000019909873 563695643 /nfs/dbraw/zinc/69/56/43/563695643.db2.gz AGOCJOILUPUWFV-UHFFFAOYSA-N 0 0 310.756 4.969 50 0 DJAARN Cc1ccc(NC(=O)CSCCCc2ccccc2)cc1C ZINC000048309202 563695910 /nfs/dbraw/zinc/69/59/10/563695910.db2.gz TYDKUIYLFHOPSO-UHFFFAOYSA-N 0 0 313.466 4.608 50 0 DJAARN C[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)c2cc(Cl)ccc2S1 ZINC000048343621 563696950 /nfs/dbraw/zinc/69/69/50/563696950.db2.gz MCXGBEOWCIZLSV-CHWSQXEVSA-N 0 0 321.873 4.914 50 0 DJAARN c1ccc(C2=N[C@H](C3CCCCC3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000216161134 563708060 /nfs/dbraw/zinc/70/80/60/563708060.db2.gz DGQMTTFLMATLGQ-DNLLRGJWSA-N 0 0 316.448 4.821 50 0 DJAARN C[C@H](Oc1cccc(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000002488672 563711036 /nfs/dbraw/zinc/71/10/36/563711036.db2.gz QSMGJTRUTOVFLO-NSHDSACASA-N 0 0 300.745 4.530 50 0 DJAARN O=C(NC1(c2cccs2)CCCC1)c1c(F)cccc1Cl ZINC000390829460 563720062 /nfs/dbraw/zinc/72/00/62/563720062.db2.gz YZRCTNOHNJRUAU-UHFFFAOYSA-N 0 0 323.820 4.740 50 0 DJAARN Cc1ccc2nc(Cl)c(C=C3SC(=S)NC3=O)cc2c1 ZINC000032751847 563723497 /nfs/dbraw/zinc/72/34/97/563723497.db2.gz CZNJCRQWSCOQJP-WDZFZDKYSA-N 0 0 320.826 4.526 50 0 DJAARN COc1ccc(-c2ccccc2)cc1NC(=O)c1cccs1 ZINC000000842879 563768411 /nfs/dbraw/zinc/76/84/11/563768411.db2.gz XIQVFMHGZHWKNA-UHFFFAOYSA-N 0 0 309.390 4.676 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253497548 563784249 /nfs/dbraw/zinc/78/42/49/563784249.db2.gz AURFZBICLPNKBZ-XXHSLLPRSA-N 0 0 318.501 4.595 50 0 biogenic DJAARN Cc1ccc(C(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cc1 ZINC000000973366 563785773 /nfs/dbraw/zinc/78/57/73/563785773.db2.gz BVWUUHCNYYWGJK-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN CC(=O)N1c2ccccc2[C@@](C)(c2ccc(C)cc2)CC1(C)C ZINC000000973245 563785856 /nfs/dbraw/zinc/78/58/56/563785856.db2.gz JEAQCVDVTQUQSY-OAQYLSRUSA-N 0 0 307.437 4.836 50 0 DJAARN Cc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000001002134 563786724 /nfs/dbraw/zinc/78/67/24/563786724.db2.gz LCRRFFSOTKGTPN-ZDUSSCGKSA-N 0 0 302.805 4.840 50 0 DJAARN Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3C)C2=O)cc1 ZINC000001013134 563787457 /nfs/dbraw/zinc/78/74/57/563787457.db2.gz WACKEHFXEFWXQY-BOPFTXTBSA-N 0 0 323.417 4.540 50 0 DJAARN Nn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000005947934 563795577 /nfs/dbraw/zinc/79/55/77/563795577.db2.gz PCWNEQLGUODVPM-UHFFFAOYSA-N 0 0 311.388 4.598 50 0 DJAARN C[C@H](Nc1ncnc2sc3c(c21)CCCCC3)c1cccnc1 ZINC000012508867 563797032 /nfs/dbraw/zinc/79/70/32/563797032.db2.gz BCHDWELIZUOWJK-LBPRGKRZSA-N 0 0 324.453 4.528 50 0 DJAARN Cc1ccc2[nH]c(SCCCC(=O)c3ccccc3)nc2c1 ZINC000012531670 563798118 /nfs/dbraw/zinc/79/81/18/563798118.db2.gz HOMPLPLLHPPOEZ-UHFFFAOYSA-N 0 0 310.422 4.627 50 0 DJAARN Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)n1C1CC1 ZINC000012528402 563798481 /nfs/dbraw/zinc/79/84/81/563798481.db2.gz GGQPLSSULXZVRC-UHFFFAOYSA-N 0 0 310.426 4.702 50 0 DJAARN O=C(Nc1cc(F)ccc1F)C1(c2ccc(F)cc2)CCCC1 ZINC000003256445 563799763 /nfs/dbraw/zinc/79/97/63/563799763.db2.gz BTWCSEOVDBYCPA-UHFFFAOYSA-N 0 0 319.326 4.554 50 0 DJAARN Brc1ccc(-c2csc(-c3cccnc3)n2)s1 ZINC000003353745 563800934 /nfs/dbraw/zinc/80/09/34/563800934.db2.gz FOULJPYCSWAPRW-UHFFFAOYSA-N 0 0 323.240 4.696 50 0 DJAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1F ZINC000012615867 563803679 /nfs/dbraw/zinc/80/36/79/563803679.db2.gz UIUFUOJFHRLROI-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc2c1CCCC2 ZINC000015302646 563803692 /nfs/dbraw/zinc/80/36/92/563803692.db2.gz UGFYGYPOUWWXNI-UHFFFAOYSA-N 0 0 318.420 4.618 50 0 DJAARN Fc1cc(Cl)ccc1NCc1nnc(-c2ccccc2)s1 ZINC000120991484 563804389 /nfs/dbraw/zinc/80/43/89/563804389.db2.gz WHCMLVYMLINYHB-UHFFFAOYSA-N 0 0 319.792 4.610 50 0 DJAARN CCc1cccc(OCC(=O)Nc2ccc([C@H](C)CC)cc2)c1 ZINC000015316901 563804468 /nfs/dbraw/zinc/80/44/68/563804468.db2.gz IVIDXSTVWSMIAP-OAHLLOKOSA-N 0 0 311.425 4.780 50 0 DJAARN CC1(c2ccccc2)N=C(c2ccccc2)C(c2ccccc2)=N1 ZINC000001275776 563809975 /nfs/dbraw/zinc/80/99/75/563809975.db2.gz IBMLGSWLDWQZND-UHFFFAOYSA-N 0 0 310.400 4.852 50 0 DJAARN CC(C)CSc1nccn2nc(-c3cccc(Cl)c3)cc12 ZINC000263615758 563810794 /nfs/dbraw/zinc/81/07/94/563810794.db2.gz FCHVXMLRWVVRIK-UHFFFAOYSA-N 0 0 317.845 4.798 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2)c2cc(C)ccc2O1 ZINC000001328855 563811695 /nfs/dbraw/zinc/81/16/95/563811695.db2.gz NYLHMPRJAHCONY-MRXNPFEDSA-N 0 0 310.397 4.513 50 0 DJAARN Cc1cc2nc(C)c(Cc3c(Cl)cccc3Cl)c(C)n2n1 ZINC000001394702 563817309 /nfs/dbraw/zinc/81/73/09/563817309.db2.gz SRGBUXWKCVWXAZ-UHFFFAOYSA-N 0 0 320.223 4.552 50 0 DJAARN FC(F)(F)c1cccc(OCc2cc(-c3ccccc3)no2)c1 ZINC000001393813 563817326 /nfs/dbraw/zinc/81/73/26/563817326.db2.gz SUBRJHDTZWZBHD-UHFFFAOYSA-N 0 0 319.282 4.939 50 0 DJAARN OCc1cc2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000001394774 563817379 /nfs/dbraw/zinc/81/73/79/563817379.db2.gz QBFDQLRFXPALMC-UHFFFAOYSA-N 0 0 315.825 4.673 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)c(F)c1 ZINC000012737905 563818101 /nfs/dbraw/zinc/81/81/01/563818101.db2.gz UEZMAIKGAWLESV-UHFFFAOYSA-N 0 0 324.330 4.588 50 0 DJAARN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)[C@H]1C[C@@H]1C ZINC000084064650 563821184 /nfs/dbraw/zinc/82/11/84/563821184.db2.gz QDFZTUJCVDMTAP-CHIMOYNISA-N 0 0 319.401 4.518 50 0 DJAARN Cc1ccc2cc(C(=O)Nc3ccc(C)c4ncccc34)[nH]c2c1 ZINC000084209982 563825405 /nfs/dbraw/zinc/82/54/05/563825405.db2.gz LIILZVPOQNJQOB-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN Cc1sc2ncnc(N3CCC[C@H]3c3ccccc3C)c2c1C ZINC000084235509 563825847 /nfs/dbraw/zinc/82/58/47/563825847.db2.gz OLDIWDXVIVFNLO-INIZCTEOSA-N 0 0 323.465 4.958 50 0 DJAARN O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000084562579 563827700 /nfs/dbraw/zinc/82/77/00/563827700.db2.gz AKDMNVDNBAXWFS-ZWKOTPCHSA-N 0 0 304.345 4.656 50 0 DJAARN C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1F ZINC000012773998 563828130 /nfs/dbraw/zinc/82/81/30/563828130.db2.gz VUERJZORFZTIAT-VIFPVBQESA-N 0 0 312.171 4.624 50 0 DJAARN COc1ccc(-c2ccccc2)cc1CNc1cnn(C(C)C)c1 ZINC000084633188 563828943 /nfs/dbraw/zinc/82/89/43/563828943.db2.gz IVXOLZRKGXRNBM-UHFFFAOYSA-N 0 0 321.424 4.752 50 0 DJAARN Cc1nc(C)c(C(=O)Nc2ccccc2Oc2ccccc2)s1 ZINC000012776326 563829041 /nfs/dbraw/zinc/82/90/41/563829041.db2.gz QQLFQCHTOQFAFY-UHFFFAOYSA-N 0 0 324.405 4.805 50 0 DJAARN Cc1occc1-c1nnc(S[C@@H](C)c2ccc(F)cc2)o1 ZINC000012778108 563829864 /nfs/dbraw/zinc/82/98/64/563829864.db2.gz HRVAZVDDMSOSLC-JTQLQIEISA-N 0 0 304.346 4.630 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1cccc2ccccc21 ZINC000000097605 563842561 /nfs/dbraw/zinc/84/25/61/563842561.db2.gz BYQDINPOEPAMNO-UHFFFAOYSA-N 0 0 304.374 4.702 50 0 DJAARN CC(C)n1ccc2ccc(C(=O)Nc3cccc4[nH]ccc43)cc21 ZINC000085879981 563844191 /nfs/dbraw/zinc/84/41/91/563844191.db2.gz VGOKBFQWUACIPB-UHFFFAOYSA-N 0 0 317.392 4.956 50 0 biogenic DJAARN Cc1cc(OC(=O)Nc2cc(F)ccc2F)c(C)cc1Cl ZINC000000399254 563846069 /nfs/dbraw/zinc/84/60/69/563846069.db2.gz PYONGYDTSNZAPY-UHFFFAOYSA-N 0 0 311.715 4.846 50 0 DJAARN C[C@@H]1CCCC[C@H]1OC(=O)Nc1ccc(Br)cc1 ZINC000000397339 563846070 /nfs/dbraw/zinc/84/60/70/563846070.db2.gz CDDCBVVBMFMLNG-ZWNOBZJWSA-N 0 0 312.207 4.576 50 0 DJAARN C[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000045072304 563848034 /nfs/dbraw/zinc/84/80/34/563848034.db2.gz BRDJLCHWWQMTNP-FCHUYYIVSA-N 0 0 302.417 4.921 50 0 DJAARN Clc1ccc(C2=Nc3cc(-c4ccccc4)nn3CC2)cc1 ZINC000038819646 563848058 /nfs/dbraw/zinc/84/80/58/563848058.db2.gz VIBGKVKPOMVPJX-UHFFFAOYSA-N 0 0 307.784 4.728 50 0 DJAARN Cc1cc(C)c(C)c([C@H](OCC[NH+](C)C)c2ccccc2)c1C ZINC000044559811 563848137 /nfs/dbraw/zinc/84/81/37/563848137.db2.gz ASZGHNNKTQHAFA-OAQYLSRUSA-N 0 0 311.469 4.588 50 0 DJAARN CC(C)(C)[C@@H]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000071785770 563848701 /nfs/dbraw/zinc/84/87/01/563848701.db2.gz FADDXBIWAZIYIU-HRDYMLBCSA-N 0 0 310.073 4.565 50 0 DJAARN C[Si](C)(C)[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000169837816 563849510 /nfs/dbraw/zinc/84/95/10/563849510.db2.gz GQVCSXRUKCMUOO-SFHVURJKSA-N 0 0 312.485 4.681 50 0 DJAARN c1ccc2c(c1)[C@@H]1C[C@@H]1c1ccccc1[C@@H]2O[C@H]1CCCCO1 ZINC000257346424 563850253 /nfs/dbraw/zinc/85/02/53/563850253.db2.gz FMUOOONUTKTPBM-JSXRDJHFSA-N 0 0 306.405 4.904 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 ZINC000012903717 563853099 /nfs/dbraw/zinc/85/30/99/563853099.db2.gz WSQPSKKJBBBOGE-UHFFFAOYSA-N 0 0 306.192 4.734 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)o1 ZINC000012929403 563854929 /nfs/dbraw/zinc/85/49/29/563854929.db2.gz DQCAWIKLODNFAX-UHFFFAOYSA-N 0 0 317.694 4.821 50 0 DJAARN Cc1cc2occ(CC(=O)Nc3cc(F)ccc3F)c2cc1C ZINC000012932225 563855247 /nfs/dbraw/zinc/85/52/47/563855247.db2.gz KSJNPRBQQXSGJO-UHFFFAOYSA-N 0 0 315.319 4.509 50 0 DJAARN CC(C)c1cnc(CNc2ccc3c(c2)Cc2ccccc2-3)o1 ZINC000075093142 563859399 /nfs/dbraw/zinc/85/93/99/563859399.db2.gz BOLSQZUPMSEPMS-UHFFFAOYSA-N 0 0 304.393 4.981 50 0 DJAARN O=C(Nc1ccccc1Cl)N1CCC(c2ccsc2)CC1 ZINC000075157177 563861433 /nfs/dbraw/zinc/86/14/33/563861433.db2.gz JTZYGRFKMDSOBE-UHFFFAOYSA-N 0 0 320.845 4.813 50 0 DJAARN CC(C)c1ccc([C@@]2(C(F)(F)F)Cc3c(cccc3N)O2)cc1 ZINC000075286285 563862899 /nfs/dbraw/zinc/86/28/99/563862899.db2.gz RRRSLAAJOHUDHR-QGZVFWFLSA-N 0 0 321.342 4.785 50 0 DJAARN C[C@H]1c2cc(Cl)ccc2O[C@@H]2c3ccc(Cl)cc3C(=O)N21 ZINC000035324779 563865558 /nfs/dbraw/zinc/86/55/58/563865558.db2.gz ZCXLIHVLCDZOOI-ZKANADHPSA-N 0 0 320.175 4.601 50 0 DJAARN O=C1c2ccccc2CCC[C@]12N=NC[C@@H]2c1ccc(Cl)cc1 ZINC000006243430 563866683 /nfs/dbraw/zinc/86/66/83/563866683.db2.gz AKOXLADCSNZXKU-IEBWSBKVSA-N 0 0 324.811 4.847 50 0 DJAARN Clc1ccc(-c2nnc(-c3cccs3)c3nocc32)cc1 ZINC000006222084 563866755 /nfs/dbraw/zinc/86/67/55/563866755.db2.gz WCQYUTXOOLULMZ-UHFFFAOYSA-N 0 0 313.769 4.667 50 0 DJAARN COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1Cl ZINC000035671897 563873944 /nfs/dbraw/zinc/87/39/44/563873944.db2.gz HAFWGHQKBGDKDG-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN CCN(Cc1ccccc1)c1ncnc2sc3c(c21)CCCC3 ZINC000000098642 563873999 /nfs/dbraw/zinc/87/39/99/563873999.db2.gz LSABGFCDDOASRL-UHFFFAOYSA-N 0 0 323.465 4.597 50 0 DJAARN CC(C)(C)c1ccc(CN2CCCn3c4ccccc4nc32)cc1 ZINC000075245327 563874561 /nfs/dbraw/zinc/87/45/61/563874561.db2.gz GKCFWRNUNJYADD-UHFFFAOYSA-N 0 0 319.452 4.744 50 0 DJAARN CC[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(C)cc1 ZINC000013016197 563876571 /nfs/dbraw/zinc/87/65/71/563876571.db2.gz WBAUNSBFZQIARX-MRXNPFEDSA-N 0 0 305.780 4.669 50 0 DJAARN COc1ccc(-c2noc([C@@H](C)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000130125459 563877483 /nfs/dbraw/zinc/87/74/83/563877483.db2.gz RUSJCQONQQHBQQ-CQSZACIVSA-N 0 0 323.396 4.535 50 0 DJAARN Cc1nn(-c2cccc(Cl)c2)c(N)c1-c1ccc(Cl)cc1 ZINC000002508490 563878019 /nfs/dbraw/zinc/87/80/19/563878019.db2.gz DWQOEPNWYHNJKN-UHFFFAOYSA-N 0 0 318.207 4.737 50 0 DJAARN Cc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@H]3CCC1 ZINC000055141710 563879215 /nfs/dbraw/zinc/87/92/15/563879215.db2.gz FLUMPRXPCVENMB-NRFANRHFSA-N 0 0 316.448 4.843 50 0 biogenic DJAARN C[C@H]1CC(Nc2cc(F)ccc2SCC(F)F)C[C@H](C)O1 ZINC000092171001 563882391 /nfs/dbraw/zinc/88/23/91/563882391.db2.gz DXEVUBWTFVQQLX-UWVGGRQHSA-N 0 0 319.392 4.551 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253498285 563884355 /nfs/dbraw/zinc/88/43/55/563884355.db2.gz XMRPGKVKISIQBV-YHZWXTCGSA-N 0 0 316.485 4.803 50 0 DJAARN Cc1cccc(OCCCCSc2nc3ccccc3[nH]2)c1 ZINC000001926976 563886153 /nfs/dbraw/zinc/88/61/53/563886153.db2.gz KLGMXWNWIMAIEG-UHFFFAOYSA-N 0 0 312.438 4.823 50 0 DJAARN CC[C@@H](C)c1ccc(Cn2c3ccccc3nc2[C@@H](C)O)cc1 ZINC000001926809 563886185 /nfs/dbraw/zinc/88/61/85/563886185.db2.gz IBGKULNXBLBYHF-HUUCEWRRSA-N 0 0 308.425 4.651 50 0 DJAARN COc1ccc(-c2coc3cc4oc(=O)c(C)c(C)c4cc32)cc1 ZINC000000095267 563886597 /nfs/dbraw/zinc/88/65/97/563886597.db2.gz ZWHYOLFLPIJLSD-UHFFFAOYSA-N 0 0 320.344 4.832 50 0 biogenic DJAARN CCc1cc2c(cc1OC)occ(-c1ccccc1Cl)c2=O ZINC000002667474 563887314 /nfs/dbraw/zinc/88/73/14/563887314.db2.gz IBUDFFHESBSYNY-UHFFFAOYSA-N 0 0 314.768 4.684 50 0 biogenic DJAARN CCCCCCC(=O)N1CCS[C@H]1c1ccc(C)cc1C ZINC000035816481 563888376 /nfs/dbraw/zinc/88/83/76/563888376.db2.gz WNQHVJDKAZCDBE-SFHVURJKSA-N 0 0 305.487 4.848 50 0 DJAARN COc1c2cc(Cl)ccc2sc1C(=O)NC1CCCCC1 ZINC000064756533 563892691 /nfs/dbraw/zinc/89/26/91/563892691.db2.gz DLBTYOMFGZYDGT-UHFFFAOYSA-N 0 0 323.845 4.626 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2ccccc2)c2cc(Cl)ccc2O1 ZINC000006842987 563896332 /nfs/dbraw/zinc/89/63/32/563896332.db2.gz HTKSMLWGKFXESX-AWEZNQCLSA-N 0 0 316.788 4.550 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)c2ccccc2O1 ZINC000006843764 563896672 /nfs/dbraw/zinc/89/66/72/563896672.db2.gz TTYCHSUUSRUIAD-CQSZACIVSA-N 0 0 316.788 4.550 50 0 DJAARN CCc1ccccc1NC(=O)N1C[C@H](CC)Oc2ccc(C)cc21 ZINC000006843322 563896695 /nfs/dbraw/zinc/89/66/95/563896695.db2.gz BJMCWPSWCXJYJR-INIZCTEOSA-N 0 0 324.424 4.767 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)c(C)c2)c2cc(C)ccc2O1 ZINC000006843122 563896736 /nfs/dbraw/zinc/89/67/36/563896736.db2.gz XLCTTZHJCYRURF-QGZVFWFLSA-N 0 0 324.424 4.821 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)c(C)c2)c2ccccc2O1 ZINC000006843955 563896738 /nfs/dbraw/zinc/89/67/38/563896738.db2.gz FHNJXKJXAGYNCZ-MRXNPFEDSA-N 0 0 310.397 4.513 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2)c2ccccc2S1 ZINC000006877001 563897991 /nfs/dbraw/zinc/89/79/91/563897991.db2.gz LIGFKJDLDORJQQ-OAHLLOKOSA-N 0 0 312.438 4.918 50 0 DJAARN Cc1ccc(NC(=O)N2C[C@H](C)Sc3ccccc32)c(C)c1 ZINC000006876945 563898038 /nfs/dbraw/zinc/89/80/38/563898038.db2.gz SJYWBCGZOYDFAW-AWEZNQCLSA-N 0 0 312.438 4.836 50 0 DJAARN CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C)cc3)ccc21 ZINC000006912439 563899145 /nfs/dbraw/zinc/89/91/45/563899145.db2.gz KGPFYAJLXKBOPT-UHFFFAOYSA-N 0 0 320.436 4.516 50 0 DJAARN CCN(CC)C(=O)N1c2ccccc2C[C@H](OC)c2ccccc21 ZINC000006937692 563900105 /nfs/dbraw/zinc/90/01/05/563900105.db2.gz ZZCNZSPQPSBPQR-IBGZPJMESA-N 0 0 324.424 4.530 50 0 DJAARN COc1ccc(Nc2cnnc3c(Cl)cccc23)cc1Cl ZINC000006998224 563900826 /nfs/dbraw/zinc/90/08/26/563900826.db2.gz MNXPMVKVLACGTN-UHFFFAOYSA-N 0 0 320.179 4.689 50 0 DJAARN CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 ZINC000007078107 563902529 /nfs/dbraw/zinc/90/25/29/563902529.db2.gz RQAJZNMYZYBWBC-UHFFFAOYSA-N 0 0 312.442 4.654 50 0 DJAARN Cc1cccc(COC(=O)c2csc(-c3cccs3)n2)c1 ZINC000007076062 563902536 /nfs/dbraw/zinc/90/25/36/563902536.db2.gz AFSILVIQNBVGFF-UHFFFAOYSA-N 0 0 315.419 4.537 50 0 DJAARN Cc1ccc2c(cccc2NC(=O)c2c(F)cccc2Cl)n1 ZINC000036709901 563903308 /nfs/dbraw/zinc/90/33/08/563903308.db2.gz ZMVLKTCEEDZVIM-UHFFFAOYSA-N 0 0 314.747 4.588 50 0 DJAARN Cc1ccc2cc(CSc3ncccn3)c(Cl)nc2c1C ZINC000007122708 563903364 /nfs/dbraw/zinc/90/33/64/563903364.db2.gz ASBKJVNXDZTVQV-UHFFFAOYSA-N 0 0 315.829 4.587 50 0 DJAARN CCN(Cc1cccc(F)c1)C(=O)c1oc2ccccc2c1C ZINC000007272021 563905022 /nfs/dbraw/zinc/90/50/22/563905022.db2.gz SZGINGAUACRMBD-UHFFFAOYSA-N 0 0 311.356 4.543 50 0 DJAARN COc1cccc(-c2nc(-c3ccc(OC)c(F)c3)cs2)c1 ZINC000007274270 563905091 /nfs/dbraw/zinc/90/50/91/563905091.db2.gz ZGIZAUUNUKCLGY-UHFFFAOYSA-N 0 0 315.369 4.633 50 0 DJAARN Cc1cccc(NC(=O)CCCSc2ccc(Cl)cc2)n1 ZINC000037107153 563906008 /nfs/dbraw/zinc/90/60/08/563906008.db2.gz DCWOMZAEHIHSEF-UHFFFAOYSA-N 0 0 320.845 4.554 50 0 DJAARN Cc1ccnc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1 ZINC000037107137 563906186 /nfs/dbraw/zinc/90/61/86/563906186.db2.gz OZIQGSQXRZXINE-UHFFFAOYSA-N 0 0 322.408 4.749 50 0 DJAARN O[C@H](CNc1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000170623421 563908808 /nfs/dbraw/zinc/90/88/08/563908808.db2.gz DBGXVUYDFUCGLF-QGZVFWFLSA-N 0 0 320.417 4.595 50 0 DJAARN O=C(Nc1ccc2scnc2c1)c1cccc(C(F)(F)F)c1 ZINC000010217457 563909338 /nfs/dbraw/zinc/90/93/38/563909338.db2.gz ZTGALPHFUULBPL-UHFFFAOYSA-N 0 0 322.311 4.567 50 0 DJAARN CCCc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013320239 563909475 /nfs/dbraw/zinc/90/94/75/563909475.db2.gz VBCKKJBFGDDRSC-AWEZNQCLSA-N 0 0 314.404 4.969 50 0 DJAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1C ZINC000013744527 563909862 /nfs/dbraw/zinc/90/98/62/563909862.db2.gz KLOXVLRFMNAOER-NSHDSACASA-N 0 0 308.834 4.901 50 0 DJAARN Cc1ccc(NN=Cc2c(O)ccc3ccccc32)cc1Cl ZINC000251165994 563910463 /nfs/dbraw/zinc/91/04/63/563910463.db2.gz VDIFEMOKLMDPIL-UHFFFAOYSA-N 0 0 310.784 4.953 50 0 DJAARN O=C(Cc1csc(-c2ccoc2)n1)OC1CCCCCCC1 ZINC000170634798 563912690 /nfs/dbraw/zinc/91/26/90/563912690.db2.gz OMJNJZRNKKMVIB-UHFFFAOYSA-N 0 0 319.426 4.602 50 0 DJAARN O=C(c1ccccc1)n1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000000072534 563912839 /nfs/dbraw/zinc/91/28/39/563912839.db2.gz SESPUEBKAPSIPP-UHFFFAOYSA-N 0 0 324.383 4.906 50 0 DJAARN Cc1cc(OCCCC(=O)Nc2ccccc2F)ccc1Cl ZINC000001787180 563912969 /nfs/dbraw/zinc/91/29/69/563912969.db2.gz YXJJHMXLCRSNPC-UHFFFAOYSA-N 0 0 321.779 4.585 50 0 DJAARN CCCN(CCC)c1cc(Oc2cc(C)ccc2Cl)ncn1 ZINC000037378244 563916500 /nfs/dbraw/zinc/91/65/00/563916500.db2.gz VRQXFDAFIAJYLJ-UHFFFAOYSA-N 0 0 319.836 4.857 50 0 DJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4)cc3c2C1 ZINC000012757105 563916543 /nfs/dbraw/zinc/91/65/43/563916543.db2.gz IYIIYJKGWDHISW-CYBMUJFWSA-N 0 0 304.393 4.545 50 0 DJAARN COCC[C@@H](Nc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000170664027 563917596 /nfs/dbraw/zinc/91/75/96/563917596.db2.gz YLOHQRLWGRJKQJ-CQSZACIVSA-N 0 0 316.788 4.671 50 0 DJAARN COc1ccc(-c2nc(NC(=O)CC(C)(C)C)sc2C)cc1 ZINC000007670656 563917883 /nfs/dbraw/zinc/91/78/83/563917883.db2.gz YFGGSQUJAHROEY-UHFFFAOYSA-N 0 0 318.442 4.502 50 0 DJAARN Cc1ccccc1-n1cnnc1SCc1ccc(Cl)cc1 ZINC000007737381 563918626 /nfs/dbraw/zinc/91/86/26/563918626.db2.gz XAWHJEMWFJXVDZ-UHFFFAOYSA-N 0 0 315.829 4.521 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000007752386 563918716 /nfs/dbraw/zinc/91/87/16/563918716.db2.gz GJBATSRNYWEOQJ-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Fc1cccc(-c2cncc(COc3ccc(F)cc3F)c2)c1 ZINC000037554205 563918747 /nfs/dbraw/zinc/91/87/47/563918747.db2.gz BRYSOCBGPLZSNB-UHFFFAOYSA-N 0 0 315.294 4.745 50 0 DJAARN Cc1cc2nc(Oc3cc(C)cc(C)c3)c3ccccc3n2n1 ZINC000007737825 563918768 /nfs/dbraw/zinc/91/87/68/563918768.db2.gz CYZKAIQLFMRCGS-UHFFFAOYSA-N 0 0 303.365 4.600 50 0 DJAARN Cc1nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2s1 ZINC000007738009 563918812 /nfs/dbraw/zinc/91/88/12/563918812.db2.gz KZDTTYXPBUOFNG-UHFFFAOYSA-N 0 0 319.336 4.527 50 0 DJAARN C[C@H](NC(=O)c1sccc1-c1ccccc1)c1ccccc1 ZINC000007779662 563919099 /nfs/dbraw/zinc/91/90/99/563919099.db2.gz HTUFAHNQYNKWAH-AWEZNQCLSA-N 0 0 307.418 4.906 50 0 DJAARN O=C(Cc1ccsc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007783893 563919318 /nfs/dbraw/zinc/91/93/18/563919318.db2.gz YBUNWKUAFFETAQ-UHFFFAOYSA-N 0 0 319.735 4.602 50 0 DJAARN Cc1c2ccc3ccccc3c2oc1C(=O)N(C)Cc1ccco1 ZINC000007814086 563919946 /nfs/dbraw/zinc/91/99/46/563919946.db2.gz VEHGGOHYBQEZGH-UHFFFAOYSA-N 0 0 319.360 4.760 50 0 DJAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1Cl ZINC000007814910 563920000 /nfs/dbraw/zinc/92/00/00/563920000.db2.gz SEWJIKBRALADEA-UHFFFAOYSA-N 0 0 317.860 4.563 50 0 DJAARN c1csc([C@@H](Nc2ncnc3sccc32)c2ccccc2)c1 ZINC000007907410 563920475 /nfs/dbraw/zinc/92/04/75/563920475.db2.gz ZUHOQPNEGBVGPI-HNNXBMFYSA-N 0 0 323.446 4.954 50 0 DJAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(Cl)s1 ZINC000253472914 563926413 /nfs/dbraw/zinc/92/64/13/563926413.db2.gz QPTQCCYCRHSTRF-SNVBAGLBSA-N 0 0 319.813 4.509 50 0 DJAARN Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000107334367 563926457 /nfs/dbraw/zinc/92/64/57/563926457.db2.gz NTWAQBGTIRPLSJ-NWANDNLSSA-N 0 0 320.502 4.616 50 0 DJAARN O=Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000114748731 563927841 /nfs/dbraw/zinc/92/78/41/563927841.db2.gz PRYWVXRFNZLRKO-UHFFFAOYSA-N 0 0 300.663 4.964 50 0 DJAARN CCCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 ZINC000002428532 563928388 /nfs/dbraw/zinc/92/83/88/563928388.db2.gz LCTJSFCQVNGWQD-UHFFFAOYSA-N 0 0 316.408 4.755 50 0 DJAARN Oc1ccc(-c2nccc(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000013125629 563929341 /nfs/dbraw/zinc/92/93/41/563929341.db2.gz FJKGHFSIYGQJCT-UHFFFAOYSA-N 0 0 317.175 4.823 50 0 DJAARN CSc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 ZINC000013123882 563929360 /nfs/dbraw/zinc/92/93/60/563929360.db2.gz GKXYBUHUMGKAQY-GOSISDBHSA-N 0 0 307.422 4.553 50 0 DJAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)/C=C/c1cccs1 ZINC000390831434 563930792 /nfs/dbraw/zinc/93/07/92/563930792.db2.gz RVJRJPIVFJGOIO-ATWMFIQVSA-N 0 0 323.527 4.674 50 0 DJAARN COc1cccc(NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1 ZINC000095958898 563932369 /nfs/dbraw/zinc/93/23/69/563932369.db2.gz SBGLHZPKYISMMZ-GOSISDBHSA-N 0 0 312.413 4.556 50 0 DJAARN CC(C)Cc1nnc([C@H](C)Sc2cccc3cccnc32)o1 ZINC000095971539 563933436 /nfs/dbraw/zinc/93/34/36/563933436.db2.gz RPSNWKSFSXAMHY-LBPRGKRZSA-N 0 0 313.426 4.670 50 0 DJAARN O=C(/C=C\c1cccc2cccnc12)OC/C=C\c1ccccc1 ZINC000096401460 563936657 /nfs/dbraw/zinc/93/66/57/563936657.db2.gz CMJHFVPVMFRMFB-SXVFVBMKSA-N 0 0 315.372 4.505 50 0 DJAARN Cc1ccccc1NC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000028226643 563939057 /nfs/dbraw/zinc/93/90/57/563939057.db2.gz GSDJFOBHNIJGRI-UHFFFAOYSA-N 0 0 316.430 4.538 50 0 DJAARN C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000002621631 563939509 /nfs/dbraw/zinc/93/95/09/563939509.db2.gz NBRBKQJQCJYUPZ-JTQLQIEISA-N 0 0 309.793 4.598 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)C[C@H](C)c1ccccc1 ZINC000002625367 563939639 /nfs/dbraw/zinc/93/96/39/563939639.db2.gz DEOAQVFMDXLVNN-LBPRGKRZSA-N 0 0 317.816 4.789 50 0 DJAARN COc1ccc2c(c1)nc(SCC(C)=O)cc2-c1ccccc1 ZINC000002629277 563939679 /nfs/dbraw/zinc/93/96/79/563939679.db2.gz BXSOWQJWJVYWPF-UHFFFAOYSA-N 0 0 323.417 4.592 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000002652396 563940134 /nfs/dbraw/zinc/94/01/34/563940134.db2.gz KCZHRHGDOOPJRN-UHFFFAOYSA-N 0 0 303.667 4.513 50 0 DJAARN CSc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002877793 563941139 /nfs/dbraw/zinc/94/11/39/563941139.db2.gz RCFBKDJCYAXSCY-UHFFFAOYSA-N 0 0 311.328 4.680 50 0 DJAARN Cc1ccc(COn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000003052888 563941730 /nfs/dbraw/zinc/94/17/30/563941730.db2.gz OKUPHHDIJUSPDM-UHFFFAOYSA-N 0 0 314.388 4.641 50 0 DJAARN CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000003111098 563942160 /nfs/dbraw/zinc/94/21/60/563942160.db2.gz OIBMMIVPYVYGOB-UHFFFAOYSA-N 0 0 322.227 4.559 50 0 DJAARN Cc1ccc2c(CC(=O)Nc3ccc(F)c(Cl)c3)coc2c1 ZINC000003524967 563944124 /nfs/dbraw/zinc/94/41/24/563944124.db2.gz RNDHTBADROFMLJ-UHFFFAOYSA-N 0 0 317.747 4.715 50 0 DJAARN O=C(NC1(c2ccccc2)CCC1)c1cccc(C(F)(F)F)c1 ZINC000007987970 563945974 /nfs/dbraw/zinc/94/59/74/563945974.db2.gz DOMPLCTWRYWVGX-UHFFFAOYSA-N 0 0 319.326 4.515 50 0 DJAARN Cc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000008323833 563947787 /nfs/dbraw/zinc/94/77/87/563947787.db2.gz JZPSUMZEXKBGNE-MRXNPFEDSA-N 0 0 321.424 4.546 50 0 DJAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Cl)c1Cl ZINC000008395549 563948386 /nfs/dbraw/zinc/94/83/86/563948386.db2.gz WGZXMZQGJARYBG-UHFFFAOYSA-N 0 0 319.191 4.656 50 0 DJAARN C[C@H](NCc1nc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000008531602 563948900 /nfs/dbraw/zinc/94/89/00/563948900.db2.gz RHBRLRVYGJLIML-JTQLQIEISA-N 0 0 321.207 4.985 50 0 DJAARN CCOc1ccccc1Nc1cc(-c2ccccc2)nc(C)n1 ZINC000008614920 563949602 /nfs/dbraw/zinc/94/96/02/563949602.db2.gz AQHQLXYWICIQBU-UHFFFAOYSA-N 0 0 305.381 4.594 50 0 DJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000008748713 563950363 /nfs/dbraw/zinc/95/03/63/563950363.db2.gz QOAFCHTUSNQKHL-MJGOQNOKSA-N 0 0 324.468 4.617 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3ccsc3)n2)c(C)c1 ZINC000008942440 563951486 /nfs/dbraw/zinc/95/14/86/563951486.db2.gz UGDUNGJRLLWSTN-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1cc(C(=O)N[C@@H](C)c2ccccc2Cl)c(C)n1C(C)C ZINC000069118706 563951639 /nfs/dbraw/zinc/95/16/39/563951639.db2.gz SKNIOUKXKZDQIT-ZDUSSCGKSA-N 0 0 318.848 4.830 50 0 DJAARN CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000008993835 563951826 /nfs/dbraw/zinc/95/18/26/563951826.db2.gz QFTIUIHZUVARCK-UHFFFAOYSA-N 0 0 306.768 4.533 50 0 DJAARN CCc1ccc([C@H](C)NC(=O)C2CCC(n3cccc3)CC2)cc1 ZINC000069377507 563952612 /nfs/dbraw/zinc/95/26/12/563952612.db2.gz CBSCZFCLOYCHEH-DZIBYMRMSA-N 0 0 324.468 4.659 50 0 DJAARN CC(C)c1noc([C@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069777946 563954592 /nfs/dbraw/zinc/95/45/92/563954592.db2.gz PJHYLFLDDYVHLN-BLLLJJGKSA-N 0 0 317.408 4.524 50 0 DJAARN CC(C)c1noc([C@@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069777948 563954658 /nfs/dbraw/zinc/95/46/58/563954658.db2.gz PJHYLFLDDYVHLN-WBMJQRKESA-N 0 0 317.408 4.524 50 0 DJAARN C[C@H]1CCCN(c2nc3ccccc3c(NC3CCCCC3)n2)C1 ZINC000041152771 563955747 /nfs/dbraw/zinc/95/57/47/563955747.db2.gz XNBOYQPFYTZLNE-HNNXBMFYSA-N 0 0 324.472 4.611 50 0 DJAARN C[C@@H](Nc1ccc(F)c(Cl)c1)c1nnc(-c2ccccc2)o1 ZINC000009390261 563955847 /nfs/dbraw/zinc/95/58/47/563955847.db2.gz DYTSWFJZKSPAIR-SNVBAGLBSA-N 0 0 317.751 4.702 50 0 DJAARN Cc1occc1-c1nnc(SCc2ccc(F)cc2Cl)o1 ZINC000009483407 563956262 /nfs/dbraw/zinc/95/62/62/563956262.db2.gz JOYCCBUWSAGRSE-UHFFFAOYSA-N 0 0 324.764 4.723 50 0 DJAARN Cc1cccc(-c2ocnc2C(=O)Nc2cc(C)ccc2C)c1 ZINC000009527350 563956636 /nfs/dbraw/zinc/95/66/36/563956636.db2.gz REQWUVVBIAFIGL-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1occc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000009596620 563957148 /nfs/dbraw/zinc/95/71/48/563957148.db2.gz LNEMDBFWGSVTJA-UHFFFAOYSA-N 0 0 307.349 4.941 50 0 DJAARN Cc1sc2ncnc(N[C@@H](c3ccccc3)C3CC3)c2c1C ZINC000010044471 563958103 /nfs/dbraw/zinc/95/81/03/563958103.db2.gz RNCUKHIACSLAOG-INIZCTEOSA-N 0 0 309.438 4.871 50 0 DJAARN Cc1ccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2)cc1 ZINC000010166031 563958312 /nfs/dbraw/zinc/95/83/12/563958312.db2.gz KBGWSVFTYHDKRS-UHFFFAOYSA-N 0 0 307.397 4.534 50 0 DJAARN Cc1ccc(NC(=O)N(C2=NCCC2)c2ccc(C)cc2)cc1 ZINC000010166032 563958439 /nfs/dbraw/zinc/95/84/39/563958439.db2.gz COYAMNKNMSSSGT-UHFFFAOYSA-N 0 0 307.397 4.534 50 0 DJAARN CC[C@H](NC(=O)Nc1ccccc1OC)c1ccc(Cl)cc1 ZINC000010402372 563958722 /nfs/dbraw/zinc/95/87/22/563958722.db2.gz XBWCHZGEMNREKR-AWEZNQCLSA-N 0 0 318.804 4.621 50 0 DJAARN CC[C@@H](C)c1ccc(NCCC(=O)c2ccc(OC)cc2)cc1 ZINC000000409535 568413767 /nfs/dbraw/zinc/41/37/67/568413767.db2.gz XYEAJLUHFJSWED-OAHLLOKOSA-N 0 0 311.425 4.894 50 0 DJAARN CSc1cc(-c2csc(C(C)C)n2)ccc1NC(C)=O ZINC000048354789 568415541 /nfs/dbraw/zinc/41/55/41/568415541.db2.gz IVNDNZLUOWRYHY-UHFFFAOYSA-N 0 0 306.456 4.614 50 0 DJAARN Cc1ccc(C(C)C)c(OCCN2CCCc3ccccc32)c1 ZINC000001122678 568420390 /nfs/dbraw/zinc/42/03/90/568420390.db2.gz HTTMRVWWUJDBJH-UHFFFAOYSA-N 0 0 309.453 4.950 50 0 DJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1csc(C)c1 ZINC000001056160 568420466 /nfs/dbraw/zinc/42/04/66/568420466.db2.gz RTCGVXJECRSPJH-UHFFFAOYSA-N 0 0 303.427 4.615 50 0 DJAARN CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000004731263 574412378 /nfs/dbraw/zinc/41/23/78/574412378.db2.gz SFXPZLCQRZASKK-JHNRXKDCSA-N 0 0 316.485 4.515 50 0 endogenous,in-man DJAARN COc1cc(/C=C\c2nc3ccccc3o2)ccc1OC(C)C ZINC000096792115 185388410 /nfs/dbraw/zinc/38/84/10/185388410.db2.gz RAHZHXHDHNVLMV-LUAWRHEFSA-N 0 0 309.365 4.794 50 0 DJAARN Fc1cc(Br)ccc1/C=C\c1nc2ccccc2o1 ZINC000096792116 185388427 /nfs/dbraw/zinc/38/84/27/185388427.db2.gz NIJMFBGKSPQMPK-VURMDHGXSA-N 0 0 318.145 4.900 50 0 DJAARN CCCC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000079096634 185157915 /nfs/dbraw/zinc/15/79/15/185157915.db2.gz IQVOTYGPQLLNON-UHFFFAOYSA-N 0 0 302.805 4.691 50 0 DJAARN CC(C)(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000079479125 185173443 /nfs/dbraw/zinc/17/34/43/185173443.db2.gz JPRGEDFMRMGLKO-CYBMUJFWSA-N 0 0 323.462 4.516 50 0 DJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C\c1ccccc1 ZINC000096875832 185389964 /nfs/dbraw/zinc/38/99/64/185389964.db2.gz GMRUSSISEMEFEF-DINCDJDBSA-N 0 0 322.433 4.529 50 0 DJAARN C[C@H](c1ccc(F)cc1)[S@](=O)CCc1ccccc1Cl ZINC000083079974 185212950 /nfs/dbraw/zinc/21/29/50/185212950.db2.gz OGRLYZAUHWZPIH-ODXCJYRJSA-N 0 0 310.821 4.532 50 0 DJAARN Cc1cccc(C)c1NC(=O)/C=C\c1cccc2cccnc12 ZINC000096941239 185393201 /nfs/dbraw/zinc/39/32/01/185393201.db2.gz ULCFLRIDEWWBKP-QXMHVHEDSA-N 0 0 302.377 4.504 50 0 DJAARN CC(C)(C)C(=O)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000002876484 190616674 /nfs/dbraw/zinc/61/66/74/190616674.db2.gz SXNUIKXDJNGLIH-UHFFFAOYSA-N 0 0 321.420 4.949 50 0 DJAARN Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)nc1 ZINC000004622144 190619683 /nfs/dbraw/zinc/61/96/83/190619683.db2.gz CJMNZROIVHYHAH-UHFFFAOYSA-N 0 0 316.404 4.551 50 0 DJAARN Cc1ccc(CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000006840916 190623708 /nfs/dbraw/zinc/62/37/08/190623708.db2.gz VHJUIRKKNRUSJJ-UHFFFAOYSA-N 0 0 301.389 4.843 50 0 DJAARN C[C@H](CC(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000007989884 190629632 /nfs/dbraw/zinc/62/96/32/190629632.db2.gz UHYDDHXHHYPOSY-OAHLLOKOSA-N 0 0 321.376 4.579 50 0 DJAARN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000095396269 185352894 /nfs/dbraw/zinc/35/28/94/185352894.db2.gz FWUWCRDCCKOVLC-MFKMUULPSA-N 0 0 316.228 4.527 50 0 DJAARN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000095396270 185352977 /nfs/dbraw/zinc/35/29/77/185352977.db2.gz FWUWCRDCCKOVLC-GWCFXTLKSA-N 0 0 316.228 4.527 50 0 DJAARN Cc1cc(NCc2ccc(Cl)nc2)ccc1C(F)(F)F ZINC000095407794 185356430 /nfs/dbraw/zinc/35/64/30/185356430.db2.gz PXCFXJKEDQXYSS-UHFFFAOYSA-N 0 0 300.711 4.674 50 0 DJAARN Cc1noc([C@H](C)S[C@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000095414550 185358562 /nfs/dbraw/zinc/35/85/62/185358562.db2.gz CQPQOAJHLDSHLT-MNOVXSKESA-N 0 0 315.398 4.588 50 0 DJAARN c1csc(-c2nc(CN[C@@H]3CCCc4sccc43)co2)c1 ZINC000095420927 185360396 /nfs/dbraw/zinc/36/03/96/185360396.db2.gz GZWIBDWOBPJRCK-CYBMUJFWSA-N 0 0 316.451 4.632 50 0 DJAARN CC(=O)Nc1cccc(NCc2cc3ccccc3s2)c1C ZINC000095428524 185362485 /nfs/dbraw/zinc/36/24/85/185362485.db2.gz QURMAMOMCHEJFR-UHFFFAOYSA-N 0 0 310.422 4.780 50 0 DJAARN CCc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000014258274 190639561 /nfs/dbraw/zinc/63/95/61/190639561.db2.gz PSJJLXXRCDPACU-UHFFFAOYSA-N 0 0 318.214 4.572 50 0 DJAARN Cc1noc(C)c1CCOc1ccc2oc3c(c2c1)CCCC3 ZINC000095467727 185372225 /nfs/dbraw/zinc/37/22/25/185372225.db2.gz QWZIJPGOQQLZCY-UHFFFAOYSA-N 0 0 311.381 4.538 50 0 DJAARN Cc1cc(F)ccc1-c1ccc(CNc2ccncc2F)o1 ZINC000097101136 185409504 /nfs/dbraw/zinc/40/95/04/185409504.db2.gz LQISKIJOQANKLW-UHFFFAOYSA-N 0 0 300.308 4.540 50 0 DJAARN CC(C)N(C(=O)CO[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000097104854 185410331 /nfs/dbraw/zinc/41/03/31/185410331.db2.gz XUIKBIKDOYLQAT-FQEVSTJZSA-N 0 0 323.436 4.522 50 0 DJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2cccc(C)c2)C1(C)C ZINC000106863112 185457186 /nfs/dbraw/zinc/45/71/86/185457186.db2.gz APJYJDUVACDGGG-QRVBRYPASA-N 0 0 311.469 4.897 50 0 DJAARN Cc1ccccc1-c1nnc(SC[C@H]2CCc3ccccc32)o1 ZINC000170593357 197781621 /nfs/dbraw/zinc/78/16/21/197781621.db2.gz RTLAODNILCRATQ-OAHLLOKOSA-N 0 0 322.433 4.867 50 0 DJAARN O=C(Nc1ccccc1F)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344052 192150779 /nfs/dbraw/zinc/15/07/79/192150779.db2.gz ITWMCASWIOBGOJ-OLZOCXBDSA-N 0 0 324.182 4.875 50 0 DJAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccsc3)sc2C1 ZINC000071195308 190939645 /nfs/dbraw/zinc/93/96/45/190939645.db2.gz LTVKJNVZOBPXMR-NSHDSACASA-N 0 0 320.483 4.608 50 0 DJAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1cccc2ccccc21 ZINC000071279327 190951838 /nfs/dbraw/zinc/95/18/38/190951838.db2.gz WEVVKQCWUMSEFH-INIZCTEOSA-N 0 0 305.381 4.741 50 0 DJAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(Cl)c1F ZINC000072221367 191076882 /nfs/dbraw/zinc/07/68/82/191076882.db2.gz BLLDULGTZRWONK-WDZFZDKYSA-N 0 0 308.139 4.625 50 0 DJAARN Cc1nc(CSc2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000072205563 191077381 /nfs/dbraw/zinc/07/73/81/191077381.db2.gz DXMZCHVUDFPMRO-UHFFFAOYSA-N 0 0 324.780 4.811 50 0 DJAARN Cc1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000072240696 191083771 /nfs/dbraw/zinc/08/37/71/191083771.db2.gz GWHDEIXIJLOYSU-UHFFFAOYSA-N 0 0 303.287 4.701 50 0 DJAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1c1cc(Cl)nc(C)n1 ZINC000072318928 191120721 /nfs/dbraw/zinc/12/07/21/191120721.db2.gz JMCCOLNASMVXQJ-CVEARBPZSA-N 0 0 315.848 4.601 50 0 DJAARN C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000038330 180674657 /nfs/dbraw/zinc/67/46/57/180674657.db2.gz GTZUASCJOCKKQS-UWVGGRQHSA-N 0 0 301.217 4.788 50 0 DJAARN CC1(C)[C@H](C(=O)Nc2ccccc2Cl)[C@H]1C=C(Cl)Cl ZINC000000041391 180675318 /nfs/dbraw/zinc/67/53/18/180675318.db2.gz HJHVXCXUGNXTQE-PELKAZGASA-N 0 0 318.631 4.870 50 0 DJAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000000091317 180689998 /nfs/dbraw/zinc/68/99/98/180689998.db2.gz LGCBUDDJLFRKAY-NHYWBVRUSA-N 0 0 303.789 4.628 50 0 DJAARN O=C(NC1CCCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000000117249 180698297 /nfs/dbraw/zinc/69/82/97/180698297.db2.gz MKROHWPCKFMPRE-UHFFFAOYSA-N 0 0 321.420 4.763 50 0 DJAARN O=C1C[C@H](c2ccccc2Cl)c2ccc3ccccc3c2N1 ZINC000000124084 180700758 /nfs/dbraw/zinc/70/07/58/180700758.db2.gz PQJDBCRNBALPMI-MRXNPFEDSA-N 0 0 307.780 4.967 50 0 DJAARN Cc1ccc(-c2nnc(N3CCCC3)c3ccccc32)cc1C ZINC000000142814 180706454 /nfs/dbraw/zinc/70/64/54/180706454.db2.gz ZQUCBBBNYJHDOB-UHFFFAOYSA-N 0 0 303.409 4.514 50 0 DJAARN Cc1cc(OCC(=O)Nc2ccccc2C(C)C)ccc1Cl ZINC000000128443 180702306 /nfs/dbraw/zinc/70/23/06/180702306.db2.gz DCDWKADFNZHDQW-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN Cc1ccc(C)c(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000000130365 180702993 /nfs/dbraw/zinc/70/29/93/180702993.db2.gz HILHVXYTLYZFCO-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1Cl ZINC000000145295 180707594 /nfs/dbraw/zinc/70/75/94/180707594.db2.gz FZYJHWJMOVQGCI-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN CSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 ZINC000000193523 180721306 /nfs/dbraw/zinc/72/13/06/180721306.db2.gz PNEDXPWEWQRMIH-UHFFFAOYSA-N 0 0 314.435 4.579 50 0 DJAARN Cc1sc(NC(=O)c2ccco2)nc1-c1cc(C)ccc1C ZINC000000260397 180740610 /nfs/dbraw/zinc/74/06/10/180740610.db2.gz MTUPDDVOQPCEJO-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN CC(C)(C)/N=c1\scc(-c2ccccc2)n1-c1ccccc1 ZINC000000274373 180745115 /nfs/dbraw/zinc/74/51/15/180745115.db2.gz NDLSHQYAUPEVDO-ZZEZOPTASA-N 0 0 308.450 4.905 50 0 DJAARN O=C(Cc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000311231 180755984 /nfs/dbraw/zinc/75/59/84/180755984.db2.gz KKIGKRCLZRJEKG-UHFFFAOYSA-N 0 0 319.735 4.602 50 0 DJAARN C[C@@H](CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000000303190 180753167 /nfs/dbraw/zinc/75/31/67/180753167.db2.gz SOMBPPVUIIJLGT-LBPRGKRZSA-N 0 0 318.214 4.581 50 0 DJAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(Cl)c1 ZINC000000341754 180761660 /nfs/dbraw/zinc/76/16/60/180761660.db2.gz BDXQDXUWHTYWNV-UHFFFAOYSA-N 0 0 311.768 4.511 50 0 DJAARN Cc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)o1 ZINC000000371511 180769367 /nfs/dbraw/zinc/76/93/67/180769367.db2.gz VIYACQSSJUIWFO-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 ZINC000000379694 180771704 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180787330 /nfs/dbraw/zinc/78/73/30/180787330.db2.gz LXJHENWAESYCFY-CYBMUJFWSA-N 0 0 324.449 4.630 50 0 DJAARN Cc1ccc(Nc2c(-c3ccco3)nc3nc(C)cc(C)n32)cc1 ZINC000000428792 180787948 /nfs/dbraw/zinc/78/79/48/180787948.db2.gz IAKQMODTLIFLCN-UHFFFAOYSA-N 0 0 318.380 4.658 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000000433092 180789693 /nfs/dbraw/zinc/78/96/93/180789693.db2.gz FQXYMPVNFRGZPL-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 ZINC000000459993 180797980 /nfs/dbraw/zinc/79/79/80/180797980.db2.gz PQVFSJHSJJWGRX-GFCCVEGCSA-N 0 0 311.878 4.660 50 0 DJAARN CC[C@@H](C)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000451307 180795373 /nfs/dbraw/zinc/79/53/73/180795373.db2.gz YLTIPLKPLJSHGJ-CYBMUJFWSA-N 0 0 317.816 4.871 50 0 DJAARN O=C(CCSc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000000473002 180802065 /nfs/dbraw/zinc/80/20/65/180802065.db2.gz KXBOEBUYVMLJNO-UHFFFAOYSA-N 0 0 309.793 4.600 50 0 DJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000000484768 180805434 /nfs/dbraw/zinc/80/54/34/180805434.db2.gz BJCFKZPMXJQSNC-LJQANCHMSA-N 0 0 305.377 4.636 50 0 DJAARN Cc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(C)cc2)cc1 ZINC000000487224 180805876 /nfs/dbraw/zinc/80/58/76/180805876.db2.gz UFVGNLZUNWOIDC-UHFFFAOYSA-N 0 0 315.376 4.756 50 0 DJAARN Cc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000000470628 180801120 /nfs/dbraw/zinc/80/11/20/180801120.db2.gz UEKWMFXNVDSNQA-GFCCVEGCSA-N 0 0 305.830 4.768 50 0 DJAARN Cc1cccc(Oc2nc(-c3ccncc3)nc3ccccc32)c1 ZINC000000521479 180811661 /nfs/dbraw/zinc/81/16/61/180811661.db2.gz MKRCEEXQXFSFKQ-UHFFFAOYSA-N 0 0 313.360 4.793 50 0 DJAARN Cc1ccc(Nc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000000520742 180811923 /nfs/dbraw/zinc/81/19/23/180811923.db2.gz KDRDULMSMHACGW-UHFFFAOYSA-N 0 0 309.438 4.931 50 0 DJAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 ZINC000000526217 180813068 /nfs/dbraw/zinc/81/30/68/180813068.db2.gz ZVSRFESAWSMPAX-UHFFFAOYSA-N 0 0 319.817 4.504 50 0 DJAARN CC[C@@H](C)n1c(-c2ccccc2F)nc2nc3ccccc3nc21 ZINC000000539328 180817089 /nfs/dbraw/zinc/81/70/89/180817089.db2.gz CKMSUKPGHHNIKV-GFCCVEGCSA-N 0 0 320.371 4.757 50 0 DJAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccco1 ZINC000000560657 180822170 /nfs/dbraw/zinc/82/21/70/180822170.db2.gz UORXWEVFBUOKDO-UHFFFAOYSA-N 0 0 319.817 4.504 50 0 DJAARN CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000000570046 180823992 /nfs/dbraw/zinc/82/39/92/180823992.db2.gz OKNSWLDMNDMWLP-UHFFFAOYSA-N 0 0 308.425 4.663 50 0 DJAARN CCC(CC)c1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 ZINC000000804751 180833643 /nfs/dbraw/zinc/83/36/43/180833643.db2.gz FDMJSQBTTGTOLE-LBPRGKRZSA-N 0 0 317.458 4.574 50 0 DJAARN C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000000860368 180836603 /nfs/dbraw/zinc/83/66/03/180836603.db2.gz AQWQGDXVPGHYQS-GFCCVEGCSA-N 0 0 307.315 4.838 50 0 DJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000001006394 180840288 /nfs/dbraw/zinc/84/02/88/180840288.db2.gz DDNKWVVDWNXBIH-HNNXBMFYSA-N 0 0 323.436 4.830 50 0 DJAARN C[C@@H]1C[C@H](NC(=O)Cc2cccc3ccccc32)CC(C)(C)C1 ZINC000001049821 180842958 /nfs/dbraw/zinc/84/29/58/180842958.db2.gz MSSOYUJOSKLUBE-QAPCUYQASA-N 0 0 309.453 4.713 50 0 DJAARN COc1ccccc1OCc1ccc(C(=O)c2ccccc2)cc1 ZINC000001075551 180845978 /nfs/dbraw/zinc/84/59/78/180845978.db2.gz IOKHXSSZVIMWHU-UHFFFAOYSA-N 0 0 318.372 4.505 50 0 DJAARN CCc1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000001188993 180849073 /nfs/dbraw/zinc/84/90/73/180849073.db2.gz DHOQCSWXIUAXGG-LJQANCHMSA-N 0 0 301.389 4.876 50 0 DJAARN CSc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000001397968 180860758 /nfs/dbraw/zinc/86/07/58/180860758.db2.gz OBJTVLHTTQHVGH-UHFFFAOYSA-N 0 0 302.786 4.779 50 0 DJAARN CC(=O)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000001396390 180860814 /nfs/dbraw/zinc/86/08/14/180860814.db2.gz DVXOEGRDPONLIB-UHFFFAOYSA-N 0 0 315.678 4.749 50 0 DJAARN O=C(CSc1cccc(Cl)c1)Nc1ccccc1Cl ZINC000001400547 180861445 /nfs/dbraw/zinc/86/14/45/180861445.db2.gz UIABWTSKODHWQJ-UHFFFAOYSA-N 0 0 312.221 4.724 50 0 DJAARN Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CCS2 ZINC000001403597 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/nfs/dbraw/zinc/03/04/90/182030490.db2.gz LRHUFGFVVNZDSA-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1c(Cl)cccc1NC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000016184284 182035959 /nfs/dbraw/zinc/03/59/59/182035959.db2.gz DPYRJFZIQUZJST-MISXGVKJSA-N 0 0 310.894 4.760 50 0 DJAARN COc1ccc(/C=C\c2nccc3c4ccccc4[nH]c32)cc1 ZINC000016425901 182043679 /nfs/dbraw/zinc/04/36/79/182043679.db2.gz CIPNKLJOLITVMZ-FLIBITNWSA-N 0 0 300.361 4.895 50 0 biogenic DJAARN O=C(NC1CCCCCCCCCCC1)c1ccccc1O ZINC000016449322 182045136 /nfs/dbraw/zinc/04/51/36/182045136.db2.gz JWHCZCGHYABHCM-UHFFFAOYSA-N 0 0 303.446 4.795 50 0 DJAARN CC1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000016602629 182051485 /nfs/dbraw/zinc/05/14/85/182051485.db2.gz DNSQYOACLMDWBZ-UHFFFAOYSA-N 0 0 311.809 4.566 50 0 DJAARN Cc1ccc2occ(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1 ZINC000016752736 182059990 /nfs/dbraw/zinc/05/99/90/182059990.db2.gz AIGSMMYNYKFRQE-UHFFFAOYSA-N 0 0 313.784 4.884 50 0 DJAARN COC(=O)c1cccc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000016946887 182065081 /nfs/dbraw/zinc/06/50/81/182065081.db2.gz NJQSUQXSIWMNLL-UHFFFAOYSA-N 0 0 318.372 4.719 50 0 DJAARN Cc1cccc(N(C(=O)Nc2ccccc2)C2=NCCC2)c1C ZINC000017135616 182076825 /nfs/dbraw/zinc/07/68/25/182076825.db2.gz LYTPYTZUEWGGSL-UHFFFAOYSA-N 0 0 307.397 4.534 50 0 DJAARN CCn1c(SCc2cccc(F)c2)nnc1C1CCCCC1 ZINC000017055074 182072948 /nfs/dbraw/zinc/07/29/48/182072948.db2.gz JYVVUGYGSILHSX-UHFFFAOYSA-N 0 0 319.449 4.777 50 0 DJAARN CC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1Cl ZINC000017056390 182073357 /nfs/dbraw/zinc/07/33/57/182073357.db2.gz SGYBIPRYKGIKPI-UHFFFAOYSA-N 0 0 323.179 4.840 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c(C)c1 ZINC000017589545 182084590 /nfs/dbraw/zinc/08/45/90/182084590.db2.gz PRYWTZBMBLXZHP-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN COc1ccc(Nc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)cc1 ZINC000017593432 182084827 /nfs/dbraw/zinc/08/48/27/182084827.db2.gz IUYOQBYWIZPNKF-HNNXBMFYSA-N 0 0 322.408 4.734 50 0 DJAARN CN(C(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000019008922 182103151 /nfs/dbraw/zinc/10/31/51/182103151.db2.gz YXEFNOGJTJQKOQ-UHFFFAOYSA-N 0 0 315.372 4.587 50 0 DJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000018181038 182097073 /nfs/dbraw/zinc/09/70/73/182097073.db2.gz IULSZVZHVSSOIS-VIFPVBQESA-N 0 0 313.184 4.778 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc(F)cc2)c(Br)c1 ZINC000019436859 182123266 /nfs/dbraw/zinc/12/32/66/182123266.db2.gz HDLRWMLSQUMRAQ-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN Cc1cccc(C)c1O[C@H](C)CNc1ccccc1OC(C)C ZINC000019737488 182140531 /nfs/dbraw/zinc/14/05/31/182140531.db2.gz JQFQXSJBRAMBQF-QGZVFWFLSA-N 0 0 313.441 4.970 50 0 DJAARN COc1ccc(O[C@H](C)CNc2cc(Cl)ccc2C)cc1 ZINC000019738080 182141176 /nfs/dbraw/zinc/14/11/76/182141176.db2.gz LWTAUIROXFVCDL-CYBMUJFWSA-N 0 0 305.805 4.536 50 0 DJAARN CC(C)CCOc1ccc(NC[C@@H](C)Oc2ccccc2)cc1 ZINC000019738202 182141215 /nfs/dbraw/zinc/14/12/15/182141215.db2.gz CLVAMRMKBGIDDA-QGZVFWFLSA-N 0 0 313.441 4.991 50 0 DJAARN CC(C)c1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccccc2)cc1 ZINC000019927701 182165817 /nfs/dbraw/zinc/16/58/17/182165817.db2.gz YKEKPSMUOZIKRH-LIRRHRJNSA-N 0 0 311.450 4.977 50 0 DJAARN CC(C)c1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000019910163 182163641 /nfs/dbraw/zinc/16/36/41/182163641.db2.gz OFSHPEHEINRCKK-UHFFFAOYSA-N 0 0 320.421 4.643 50 0 DJAARN CCc1ccc(N2C(=O)CS[C@H]2c2cccc(Cl)c2)cc1 ZINC000019927334 182165198 /nfs/dbraw/zinc/16/51/98/182165198.db2.gz UWEAEFJRSWHQMU-KRWDZBQOSA-N 0 0 317.841 4.681 50 0 DJAARN O=Cc1ccccc1Oc1ccc(Cl)cc1Br ZINC000020079655 182185466 /nfs/dbraw/zinc/18/54/66/182185466.db2.gz CHXUQKAAEROIFQ-UHFFFAOYSA-N 0 0 311.562 4.707 50 0 DJAARN CCc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020192183 182196304 /nfs/dbraw/zinc/19/63/04/182196304.db2.gz HPGOHSNCIWSACF-LLVKDONJSA-N 0 0 320.795 4.924 50 0 DJAARN COc1cccc(OC)c1-c1nc2ccc(Cl)cc2s1 ZINC000020209126 182197499 /nfs/dbraw/zinc/19/74/99/182197499.db2.gz FPCUPFPLTFQGIV-UHFFFAOYSA-N 0 0 305.786 4.634 50 0 DJAARN CCc1ccc(-c2nc(NC(=O)c3ccco3)sc2C)cc1 ZINC000020212607 182197542 /nfs/dbraw/zinc/19/75/42/182197542.db2.gz WVNCZLOMSAFJLA-UHFFFAOYSA-N 0 0 312.394 4.526 50 0 DJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)c(C)c1 ZINC000020356981 182211106 /nfs/dbraw/zinc/21/11/06/182211106.db2.gz AQEPZDVIEDCOOO-GFCCVEGCSA-N 0 0 320.795 4.979 50 0 DJAARN O=C1Nc2ccccc2CC[C@H]1Sc1nc2ccccc2o1 ZINC000020728482 182244097 /nfs/dbraw/zinc/24/40/97/182244097.db2.gz FJARUPFVPYGASM-OAHLLOKOSA-N 0 0 310.378 4.523 50 0 DJAARN CCCn1nc(C)c2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000020605148 182237145 /nfs/dbraw/zinc/23/71/45/182237145.db2.gz RPIQGOHCENZIND-UHFFFAOYSA-N 0 0 319.330 4.836 50 0 DJAARN Cc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(F)ccc2O3)cc1 ZINC000020861728 182250361 /nfs/dbraw/zinc/25/03/61/182250361.db2.gz JUFOUSFLWRZXPN-UHFFFAOYSA-N 0 0 324.380 4.950 50 0 DJAARN Cc1cccc([C@@H](CC(=O)Nc2ccccc2F)n2cccc2)c1 ZINC000020998958 182259123 /nfs/dbraw/zinc/25/91/23/182259123.db2.gz NNLPFSIVOLEBGH-LJQANCHMSA-N 0 0 322.383 4.554 50 0 DJAARN CCc1ccccc1NC(=O)C[C@@H](c1ccccc1)n1cccc1 ZINC000021016119 182260718 /nfs/dbraw/zinc/26/07/18/182260718.db2.gz XXHLKNJVWUJWME-FQEVSTJZSA-N 0 0 318.420 4.669 50 0 DJAARN CCc1ccccc1NC(=O)C[C@H](c1ccccc1)n1cccc1 ZINC000021016123 182260760 /nfs/dbraw/zinc/26/07/60/182260760.db2.gz XXHLKNJVWUJWME-HXUWFJFHSA-N 0 0 318.420 4.669 50 0 DJAARN CCc1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)cc1 ZINC000021016131 182260817 /nfs/dbraw/zinc/26/08/17/182260817.db2.gz NBKHQCFYYXRDNH-HXUWFJFHSA-N 0 0 318.420 4.669 50 0 DJAARN O=C1C[C@@H](c2ccc(O)cc2)c2scc(-c3ccccc3)c2N1 ZINC000021157617 182267148 /nfs/dbraw/zinc/26/71/48/182267148.db2.gz BVDJYBWLIQANMT-HNNXBMFYSA-N 0 0 321.401 4.595 50 0 DJAARN CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000021362744 182273025 /nfs/dbraw/zinc/27/30/25/182273025.db2.gz BJSXQPMUIZQPKW-UHFFFAOYSA-N 0 0 306.365 4.747 50 0 DJAARN Cc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)nc1 ZINC000021364470 182273041 /nfs/dbraw/zinc/27/30/41/182273041.db2.gz AXRNUMFETUXFBZ-UHFFFAOYSA-N 0 0 303.337 4.535 50 0 DJAARN Cc1cccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c1 ZINC000021555425 182279914 /nfs/dbraw/zinc/27/99/14/182279914.db2.gz UNSHAXSDYLIYCD-UHFFFAOYSA-N 0 0 302.377 4.673 50 0 DJAARN CCOC(=O)c1cnc(Nc2ccc(C)c(F)c2)c2ccccc12 ZINC000021650085 182282274 /nfs/dbraw/zinc/28/22/74/182282274.db2.gz YVJURPUDYXUXCT-UHFFFAOYSA-N 0 0 324.355 4.603 50 0 DJAARN Cc1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c(C)c1 ZINC000021658911 182282965 /nfs/dbraw/zinc/28/29/65/182282965.db2.gz KEXDLVRYBWAYMV-LBPRGKRZSA-N 0 0 300.789 4.973 50 0 DJAARN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000021707146 182284211 /nfs/dbraw/zinc/28/42/11/182284211.db2.gz SLCAOMPYKGDFKT-VXGBXAGGSA-N 0 0 301.773 4.727 50 0 DJAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1CN1CCCCC1 ZINC000021783128 182288386 /nfs/dbraw/zinc/28/83/86/182288386.db2.gz KLGLQUDDEUVFIY-KRWDZBQOSA-N 0 0 319.452 4.632 50 0 DJAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H]1c1ccccc1 ZINC000022328538 182318226 /nfs/dbraw/zinc/31/82/26/182318226.db2.gz JPWMMRLUZJQSHZ-INIZCTEOSA-N 0 0 320.219 4.971 50 0 DJAARN C[C@@H](Nc1ncnc2c3ccccc3oc21)c1ccc(F)cc1 ZINC000022342970 182319732 /nfs/dbraw/zinc/31/97/32/182319732.db2.gz OMOUDSRIIHSYGP-LLVKDONJSA-N 0 0 307.328 4.688 50 0 DJAARN CCCCN(CC)C(=O)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000022346024 182319777 /nfs/dbraw/zinc/31/97/77/182319777.db2.gz RQNQCCVUVIDBOK-UHFFFAOYSA-N 0 0 323.408 4.956 50 0 DJAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CCCCC1 ZINC000022656037 182330314 /nfs/dbraw/zinc/33/03/14/182330314.db2.gz SALBRTHUPRORFB-FQEVSTJZSA-N 0 0 307.437 4.667 50 0 DJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccnc(Cl)c1 ZINC000023180175 182352562 /nfs/dbraw/zinc/35/25/62/182352562.db2.gz DKTDHLHLRJRHJV-UHFFFAOYSA-N 0 0 308.768 4.654 50 0 DJAARN Cc1noc(C)c1C(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000023077564 182347125 /nfs/dbraw/zinc/34/71/25/182347125.db2.gz GAZWBODZJKWGLC-UHFFFAOYSA-N 0 0 322.364 4.644 50 0 DJAARN CCCCNc1cc(CCC)nc2c(-c3ccccc3)cnn21 ZINC000023114891 182348412 /nfs/dbraw/zinc/34/84/12/182348412.db2.gz JOZHBWQZNFWVAC-UHFFFAOYSA-N 0 0 308.429 4.561 50 0 DJAARN CCC[C@@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000023547654 182363269 /nfs/dbraw/zinc/36/32/69/182363269.db2.gz UZLLGPYJRNKBTF-CZUORRHYSA-N 0 0 317.379 4.726 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(C)cc2Br)sc1C ZINC000024017159 182372395 /nfs/dbraw/zinc/37/23/95/182372395.db2.gz HOLUYPDOQNKNDF-UHFFFAOYSA-N 0 0 324.243 4.688 50 0 DJAARN COc1ccccc1NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000024606143 182385428 /nfs/dbraw/zinc/38/54/28/182385428.db2.gz TYWMTMKFZLVINS-UHFFFAOYSA-N 0 0 317.344 4.847 50 0 DJAARN Cc1ccc(CCC(=O)Nc2ccc(F)cc2C)cc1Cl ZINC000024694423 182387594 /nfs/dbraw/zinc/38/75/94/182387594.db2.gz KDPLJBUEADJJLX-UHFFFAOYSA-N 0 0 305.780 4.667 50 0 DJAARN Cc1nc2cc(NC(=O)c3csc4ccccc34)ccc2o1 ZINC000024871591 182393985 /nfs/dbraw/zinc/39/39/85/182393985.db2.gz KGWVFWXZVXPOHR-UHFFFAOYSA-N 0 0 308.362 4.603 50 0 DJAARN CN(C(=O)c1cc2ccccc2s1)[C@H]1CCc2ccccc21 ZINC000024968661 182395934 /nfs/dbraw/zinc/39/59/34/182395934.db2.gz ODHNHHVDPSWQCC-INIZCTEOSA-N 0 0 307.418 4.661 50 0 DJAARN CCc1cccc(N[C@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000025425643 182414729 /nfs/dbraw/zinc/41/47/29/182414729.db2.gz DWJUQPDSKAUWRF-OAHLLOKOSA-N 0 0 318.420 4.841 50 0 DJAARN O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(F)cc1 ZINC000025929252 182425438 /nfs/dbraw/zinc/42/54/38/182425438.db2.gz RGIXYTMDPICLTP-UHFFFAOYSA-N 0 0 322.339 4.610 50 0 DJAARN Cc1cc(F)ccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000098072785 193781846 /nfs/dbraw/zinc/78/18/46/193781846.db2.gz DIZVLRNIDNAZDF-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN CC(C)NC(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl ZINC000026688060 182450560 /nfs/dbraw/zinc/45/05/60/182450560.db2.gz OINBZBGFYXDDOF-UHFFFAOYSA-N 0 0 309.862 4.990 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c(C)c1 ZINC000027583601 182480957 /nfs/dbraw/zinc/48/09/57/182480957.db2.gz SWTZJJARDZHUSO-UHFFFAOYSA-N 0 0 320.392 4.828 50 0 DJAARN C[C@@H](NC(=O)CCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000029238754 182557671 /nfs/dbraw/zinc/55/76/71/182557671.db2.gz VBMHADCGAZJSDR-CYBMUJFWSA-N 0 0 321.342 4.515 50 0 DJAARN O=C(Nc1cnc2ccccc2c1)c1occc1-c1ccccc1 ZINC000030931321 182602779 /nfs/dbraw/zinc/60/27/79/182602779.db2.gz YNKKDAVOBGKQOH-UHFFFAOYSA-N 0 0 314.344 4.747 50 0 DJAARN CCCn1c(-c2ccc(OC)cc2)cs/c1=N/c1ccccc1 ZINC000100837259 193804557 /nfs/dbraw/zinc/80/45/57/193804557.db2.gz KJVZOFDPFMPBGI-FMQUCBEESA-N 0 0 324.449 4.868 50 0 DJAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccco1 ZINC000033036427 182690302 /nfs/dbraw/zinc/69/03/02/182690302.db2.gz SNXDIOKPIYLHED-UHFFFAOYSA-N 0 0 302.333 4.680 50 0 DJAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)NCc1ccccc1 ZINC000033139656 182694715 /nfs/dbraw/zinc/69/47/15/182694715.db2.gz FLUSEIRYCXSKCA-UHFFFAOYSA-N 0 0 318.420 4.537 50 0 DJAARN Cc1ccc(NC(=O)C2=Cc3cc(C)ccc3OC=C2)c(C)c1 ZINC000033321253 182703573 /nfs/dbraw/zinc/70/35/73/182703573.db2.gz QIEGKCRWLOZFNZ-UHFFFAOYSA-N 0 0 305.377 4.540 50 0 DJAARN Cc1ccc2c(c1)OC=CC(C(=O)Nc1ccc(C)c(C)c1)=C2 ZINC000033321283 182703888 /nfs/dbraw/zinc/70/38/88/182703888.db2.gz VKEUAFHWEHWLQE-UHFFFAOYSA-N 0 0 305.377 4.540 50 0 DJAARN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1C(F)(F)F ZINC000033410453 182709523 /nfs/dbraw/zinc/70/95/23/182709523.db2.gz KPNIVRSBDIUOHF-GHXNOFRVSA-N 0 0 323.701 4.852 50 0 DJAARN Cc1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2C ZINC000035165553 182758744 /nfs/dbraw/zinc/75/87/44/182758744.db2.gz UVSZHTGQOBNQHE-UHFFFAOYSA-N 0 0 302.830 4.827 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000036620545 182830076 /nfs/dbraw/zinc/83/00/76/182830076.db2.gz HROJLUUJLUFQEC-LJQANCHMSA-N 0 0 308.425 4.926 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1C ZINC000036620326 182830247 /nfs/dbraw/zinc/83/02/47/182830247.db2.gz AMXRIJBZTUQRHY-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000036621177 182830591 /nfs/dbraw/zinc/83/05/91/182830591.db2.gz BDGISLVIDRPMCA-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN CC(C)c1ccccc1NC(=O)Cc1cccc2cccnc21 ZINC000040025767 183028847 /nfs/dbraw/zinc/02/88/47/183028847.db2.gz INAYBHDGWPZRGE-UHFFFAOYSA-N 0 0 304.393 4.539 50 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Cc1nc(C)c(C(=O)Nc2ccccc2Cc2ccccc2)s1 ZINC000008392753 518192483 /nfs/dbraw/zinc/19/24/83/518192483.db2.gz XKWZGTCLBNPHFU-UHFFFAOYSA-N 0 0 322.433 4.603 50 0 DJAARN CC(C)(C)c1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2 ZINC000002329099 535124206 /nfs/dbraw/zinc/12/42/06/535124206.db2.gz OPCCLYLVHHRFJK-UHFFFAOYSA-N 0 0 301.817 4.994 50 0 DJAARN Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000000184015 563627991 /nfs/dbraw/zinc/62/79/91/563627991.db2.gz JYRKWQICTJTPAY-UHFFFAOYSA-N 0 0 306.843 4.824 50 0 DJAARN Cc1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000000558562 563670772 /nfs/dbraw/zinc/67/07/72/563670772.db2.gz VFUXWUHLMOBEFK-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000051354239 563690105 /nfs/dbraw/zinc/69/01/05/563690105.db2.gz LLQBUSMYZCISLE-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN Cc1ccc(F)cc1NC(=O)Nc1cccc(Br)c1 ZINC000051354365 563690593 /nfs/dbraw/zinc/69/05/93/563690593.db2.gz QERMTHAYRMWKAY-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN Cc1cccc(NC(=O)Nc2cccc(Br)c2)c1C ZINC000051354323 563690599 /nfs/dbraw/zinc/69/05/99/563690599.db2.gz XUDFMGURQQISQB-UHFFFAOYSA-N 0 0 319.202 4.710 50 0 DJAARN C[C@H]1CCCN(C(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000084697649 563829715 /nfs/dbraw/zinc/82/97/15/563829715.db2.gz RAYHFYQOLWVYIG-ZFWWWQNUSA-N 0 0 308.491 4.667 50 0 DJAARN COc1ccc(C)cc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000013745105 563909826 /nfs/dbraw/zinc/90/98/26/563909826.db2.gz HGSOLDDLZBCYCO-SNVBAGLBSA-N 0 0 324.833 4.601 50 0 DJAARN Cc1ncsc1CNc1ccc(F)cc1OC1CCCC1 ZINC000089793741 563911361 /nfs/dbraw/zinc/91/13/61/563911361.db2.gz BABQLVMXKFOQPV-UHFFFAOYSA-N 0 0 306.406 4.524 50 0 DJAARN Cc1cc(C)nc(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1 ZINC000006075985 563959799 /nfs/dbraw/zinc/95/97/99/563959799.db2.gz FTAMBCPAMSLSJN-XQRVVYSFSA-N 0 0 321.207 4.657 50 0 DJAARN O=C(c1ccc(-c2cccs2)s1)c1ccc(F)cc1F ZINC000000108215 563218200 /nfs/dbraw/zinc/21/82/00/563218200.db2.gz LBYRUTLHZQZRFG-UHFFFAOYSA-N 0 0 306.358 4.986 50 0 DJAARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000000457356 563257898 /nfs/dbraw/zinc/25/78/98/563257898.db2.gz GEQKCEZZZXPKIY-UHFFFAOYSA-N 0 0 303.789 4.730 50 0 DJAARN COc1ccc(CCC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002516581 563306539 /nfs/dbraw/zinc/30/65/39/563306539.db2.gz WTGAWXRPXYAAMY-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN Cc1ccc(C(=O)CCc2ccc(Br)cc2)cc1 ZINC000002516747 563306788 /nfs/dbraw/zinc/30/67/88/563306788.db2.gz GGHCDQGKIWONCT-UHFFFAOYSA-N 0 0 303.199 4.573 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCCOc1c(C)cccc1C ZINC000002880430 563317046 /nfs/dbraw/zinc/31/70/46/563317046.db2.gz DJJWAEWMCASGGY-UHFFFAOYSA-N 0 0 300.446 4.825 50 0 DJAARN C[C@@H](Sc1ccc(F)c(F)c1)c1nnc(-c2cccs2)o1 ZINC000014241147 563398743 /nfs/dbraw/zinc/39/87/43/563398743.db2.gz CBBPLKKMMNCHDQ-MRVPVSSYSA-N 0 0 324.377 4.930 50 0 DJAARN Cc1cccc2sc(NC(=O)CCC3CCCCC3)nc21 ZINC000050016357 563467928 /nfs/dbraw/zinc/46/79/28/563467928.db2.gz CBVXYHZTYCKPHR-UHFFFAOYSA-N 0 0 302.443 4.904 50 0 DJAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000051354202 563468647 /nfs/dbraw/zinc/46/86/47/563468647.db2.gz HTAYSOAAOVRBKF-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN CCOc1ccc(-c2n[nH]c(=S)n2C2CCCCC2)cc1 ZINC000000071470 563213226 /nfs/dbraw/zinc/21/32/26/563213226.db2.gz WOEMESZWVLUZEL-UHFFFAOYSA-N 0 0 303.431 4.512 50 0 DJAARN Cc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1C ZINC000000042851 563211722 /nfs/dbraw/zinc/21/17/22/563211722.db2.gz AAEFJKSTHQBIHF-TZMCWYRMSA-N 0 0 312.240 4.833 50 0 DJAARN COc1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000000038457 563211454 /nfs/dbraw/zinc/21/14/54/563211454.db2.gz JBYJQNJCJNRXIO-UHFFFAOYSA-N 0 0 318.781 4.783 50 0 DJAARN O=C(Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000000040855 563211585 /nfs/dbraw/zinc/21/15/85/563211585.db2.gz QUCOPZPNPALONQ-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN O=C(CCC1CCCC1)Nc1ccc(Cc2ccncc2)cc1 ZINC000000060350 563212199 /nfs/dbraw/zinc/21/21/99/563212199.db2.gz KGBIKLHPMHBCMC-UHFFFAOYSA-N 0 0 308.425 4.581 50 0 DJAARN CC(C)c1ccc(N(CCc2ccccn2)C(=O)C(C)(C)C)cc1 ZINC000000068077 563212952 /nfs/dbraw/zinc/21/29/52/563212952.db2.gz AIKDOPCXACBIMG-UHFFFAOYSA-N 0 0 324.468 4.827 50 0 DJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000073819 563213461 /nfs/dbraw/zinc/21/34/61/563213461.db2.gz FIUVSCWNEJNPRX-LBPRGKRZSA-N 0 0 322.235 4.745 50 0 DJAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3F)c2)cs1 ZINC000000079431 563213911 /nfs/dbraw/zinc/21/39/11/563213911.db2.gz KCHHSSMPINELCU-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Cc1ccc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1 ZINC000000075418 563213998 /nfs/dbraw/zinc/21/39/98/563213998.db2.gz VNSSNRWUVIJHTR-UHFFFAOYSA-N 0 0 307.393 4.822 50 0 DJAARN CCCn1c2ccccc2nc1[C@H](O)c1cccc2ccccc21 ZINC000000079090 563214069 /nfs/dbraw/zinc/21/40/69/563214069.db2.gz UORCAZZNWUJOPI-HXUWFJFHSA-N 0 0 316.404 4.681 50 0 DJAARN CCOc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000080943 563214405 /nfs/dbraw/zinc/21/44/05/563214405.db2.gz LXQGKBCEVLXSAQ-UHFFFAOYSA-N 0 0 316.740 4.637 50 0 DJAARN CC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1 ZINC000000084169 563214458 /nfs/dbraw/zinc/21/44/58/563214458.db2.gz SLORYUOBEXZZJA-UHFFFAOYSA-N 0 0 306.409 4.665 50 0 DJAARN Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Sc1ccccc1 ZINC000000086542 563214677 /nfs/dbraw/zinc/21/46/77/563214677.db2.gz MBZANUGTABSLOI-UHFFFAOYSA-N 0 0 322.433 4.648 50 0 DJAARN O=C1c2ccccc2N[C@H](c2cccs2)N1c1ccccc1 ZINC000000087575 563215329 /nfs/dbraw/zinc/21/53/29/563215329.db2.gz KCHBRRCLUGULSC-KRWDZBQOSA-N 0 0 306.390 4.519 50 0 DJAARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1Cl ZINC000000092344 563215770 /nfs/dbraw/zinc/21/57/70/563215770.db2.gz PHKJLFQOZONKIX-UHFFFAOYSA-N 0 0 303.789 4.730 50 0 DJAARN O=C(Nc1ccc(Cl)cn1)c1sc2ccccc2c1Cl ZINC000000097492 563216276 /nfs/dbraw/zinc/21/62/76/563216276.db2.gz UXGATWLUBVVVJC-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(F)cc1 ZINC000000097613 563216321 /nfs/dbraw/zinc/21/63/21/563216321.db2.gz UKMZZZSOYUREOY-UHFFFAOYSA-N 0 0 324.355 4.603 50 0 DJAARN CCOc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000000098279 563216361 /nfs/dbraw/zinc/21/63/61/563216361.db2.gz FQWOHYHTOCUSJS-UHFFFAOYSA-N 0 0 310.349 4.601 50 0 DJAARN c1ccc(-c2nnc3n2C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000000104119 563217449 /nfs/dbraw/zinc/21/74/49/563217449.db2.gz ZBUPRDZNUGFSOZ-UHFFFAOYSA-N 0 0 315.420 4.828 50 0 biogenic DJAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000000104462 563217470 /nfs/dbraw/zinc/21/74/70/563217470.db2.gz DOJJWBNXBPCRIU-FQEVSTJZSA-N 0 0 314.388 4.766 50 0 DJAARN c1coc(CNc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000000102530 563217559 /nfs/dbraw/zinc/21/75/59/563217559.db2.gz REZDMKRHMFTOEZ-UHFFFAOYSA-N 0 0 307.378 4.563 50 0 DJAARN CC(C)(C)c1csc(-c2ccc(-c3csnn3)cc2)n1 ZINC000000106782 563218046 /nfs/dbraw/zinc/21/80/46/563218046.db2.gz RXNKTMDTARVWDJ-UHFFFAOYSA-N 0 0 301.440 4.626 50 0 DJAARN C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000106509 563218147 /nfs/dbraw/zinc/21/81/47/563218147.db2.gz JHHFBOCTYIVIIF-SNVBAGLBSA-N 0 0 309.196 4.876 50 0 DJAARN Clc1ccc(OCc2ccsc2Cn2cccc2)cc1 ZINC000000108415 563218789 /nfs/dbraw/zinc/21/87/89/563218789.db2.gz RYDVWISSTNKSRN-UHFFFAOYSA-N 0 0 303.814 4.830 50 0 DJAARN COc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000000111503 563218851 /nfs/dbraw/zinc/21/88/51/563218851.db2.gz FLIWQURPNUSETL-HNNXBMFYSA-N 0 0 311.425 4.636 50 0 DJAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(C)c1 ZINC000000120504 563219763 /nfs/dbraw/zinc/21/97/63/563219763.db2.gz MGAAMPZOFSLKAN-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000123260 563220479 /nfs/dbraw/zinc/22/04/79/563220479.db2.gz NGMLVDDZAODWGZ-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Cc1nc(C(F)(F)F)nc(Sc2ccc(Cl)cc2)c1C ZINC000000123872 563220499 /nfs/dbraw/zinc/22/04/99/563220499.db2.gz JVWHDJKKWXCOMJ-UHFFFAOYSA-N 0 0 318.751 4.917 50 0 DJAARN CC(=O)c1cccc(Oc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000127412 563221137 /nfs/dbraw/zinc/22/11/37/563221137.db2.gz STAQHFQLHGDVFW-UHFFFAOYSA-N 0 0 324.405 4.565 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(C)c1 ZINC000000129796 563221449 /nfs/dbraw/zinc/22/14/49/563221449.db2.gz QZPWSWYNZOFEPZ-CQSZACIVSA-N 0 0 317.816 4.671 50 0 DJAARN Cc1ccc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 ZINC000000134223 563222375 /nfs/dbraw/zinc/22/23/75/563222375.db2.gz GHEWGHIIJKSQMQ-UHFFFAOYSA-N 0 0 322.433 4.603 50 0 DJAARN CC(=O)c1sc(=S)n(CCc2ccc(Cl)cc2)c1C ZINC000000141377 563223433 /nfs/dbraw/zinc/22/34/33/563223433.db2.gz UWKUZHDZMZOMSJ-UHFFFAOYSA-N 0 0 311.859 4.686 50 0 DJAARN CCc1ccn2cc(-c3ccc(-c4ccccn4)s3)nc2c1 ZINC000000152203 563225256 /nfs/dbraw/zinc/22/52/56/563225256.db2.gz RCMRZADGFPREDZ-UHFFFAOYSA-N 0 0 305.406 4.687 50 0 DJAARN CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC000000154842 563225360 /nfs/dbraw/zinc/22/53/60/563225360.db2.gz MDRHVCGWXNLRSI-UHFFFAOYSA-N 0 0 301.217 4.790 50 0 DJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Br ZINC000000161968 563225801 /nfs/dbraw/zinc/22/58/01/563225801.db2.gz BZCIYGNYGIKEEC-UHFFFAOYSA-N 0 0 322.149 4.900 50 0 DJAARN O=c1oc([C@@H](c2ccccc2)C2CCCC2)nc2cccc(F)c12 ZINC000000166425 563226395 /nfs/dbraw/zinc/22/63/95/563226395.db2.gz FXSIAGSKZIFQOI-KRWDZBQOSA-N 0 0 323.367 4.649 50 0 DJAARN Clc1cccc(Cl)c1CSc1ncc2ccccn21 ZINC000000167711 563226435 /nfs/dbraw/zinc/22/64/35/563226435.db2.gz OYVOAIRLRRMZFC-UHFFFAOYSA-N 0 0 309.221 4.933 50 0 DJAARN Cc1ccc(C(=O)c2ccc(N3CCCCC3)c(F)c2)cc1C ZINC000000170332 563226959 /nfs/dbraw/zinc/22/69/59/563226959.db2.gz UOGMPVFEKYWLRE-UHFFFAOYSA-N 0 0 311.400 4.664 50 0 DJAARN O=C(Cc1csc2ccc(Cl)cc12)OCc1ccccc1 ZINC000000172235 563227471 /nfs/dbraw/zinc/22/74/71/563227471.db2.gz DSGFXBLCQKOBOM-UHFFFAOYSA-N 0 0 316.809 4.841 50 0 DJAARN COc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000182237 563228498 /nfs/dbraw/zinc/22/84/98/563228498.db2.gz OZSXHEQKCSCXFX-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN COc1ccc(NCc2ccc(Cl)cc2Cl)cc1OC ZINC000000182038 563228504 /nfs/dbraw/zinc/22/85/04/563228504.db2.gz DCXCWZMPCAMSBI-UHFFFAOYSA-N 0 0 312.196 4.623 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1c(C)cccc1C ZINC000000178893 563228527 /nfs/dbraw/zinc/22/85/27/563228527.db2.gz YMDMTRBVNMJJEV-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1cc(C)c(CSc2nnc(-c3ccccc3)o2)c(C)c1 ZINC000000178892 563228688 /nfs/dbraw/zinc/22/86/88/563228688.db2.gz ZLHDNNIHKPWDJY-UHFFFAOYSA-N 0 0 310.422 4.954 50 0 DJAARN Brc1cccc(CSc2nc3ccccc3[nH]2)c1 ZINC000000179502 563228700 /nfs/dbraw/zinc/22/87/00/563228700.db2.gz BWFQMKUEJVFJEJ-UHFFFAOYSA-N 0 0 319.227 4.618 50 0 DJAARN Cc1oc2cc(OC(C)C)ccc2c(=O)c1Oc1ccccc1 ZINC000000189829 563229108 /nfs/dbraw/zinc/22/91/08/563229108.db2.gz PNLVPCMBKPMCEV-UHFFFAOYSA-N 0 0 310.349 4.681 50 0 biogenic DJAARN CCCC(=O)Nc1ccc(O)c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000000184850 563229115 /nfs/dbraw/zinc/22/91/15/563229115.db2.gz YTJOFVZWLRACLQ-UHFFFAOYSA-N 0 0 324.380 4.556 50 0 DJAARN O=C1C[C@H](c2csc(-c3ccccc3)n2)C2(CCCCC2)O1 ZINC000000198172 563229824 /nfs/dbraw/zinc/22/98/24/563229824.db2.gz PDTDORYFBAWLJH-CQSZACIVSA-N 0 0 313.422 4.544 50 0 DJAARN Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000000206382 563230283 /nfs/dbraw/zinc/23/02/83/563230283.db2.gz ZFGXZJKLOFCECI-UHFFFAOYSA-N 0 0 302.786 4.913 50 0 in-vitro DJAARN CC(C)(C)c1cc(C(F)(F)F)n2ncc(-c3ccccc3)c2n1 ZINC000000202354 563230354 /nfs/dbraw/zinc/23/03/54/563230354.db2.gz JANCUUUEIRPJHG-UHFFFAOYSA-N 0 0 319.330 4.713 50 0 DJAARN Cc1ccc(-c2cc(C(F)F)nc(N3CCCCCC3)n2)cc1 ZINC000000215015 563231071 /nfs/dbraw/zinc/23/10/71/563231071.db2.gz RGBWDFNPLGEXTC-UHFFFAOYSA-N 0 0 317.383 4.770 50 0 DJAARN COc1ccc(NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1 ZINC000000248003 563233337 /nfs/dbraw/zinc/23/33/37/563233337.db2.gz BOKIRZDRFKKLGV-ZDUSSCGKSA-N 0 0 317.816 4.556 50 0 DJAARN Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000283101 563235892 /nfs/dbraw/zinc/23/58/92/563235892.db2.gz IUGDILGOLSSKNE-UHFFFAOYSA-N 0 0 317.599 4.600 50 0 in-vitro DJAARN CC(=O)O[C@@H]1c2ccccc2N[C@H](c2ccc(C)cc2)C1(C)C ZINC000000285440 563235911 /nfs/dbraw/zinc/23/59/11/563235911.db2.gz HESDCCCLWZTFDR-RTBURBONSA-N 0 0 309.409 4.792 50 0 DJAARN Cc1cccc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)c1 ZINC000000295883 563237063 /nfs/dbraw/zinc/23/70/63/563237063.db2.gz FQXVURCPBQKOQS-UHFFFAOYSA-N 0 0 307.393 4.822 50 0 DJAARN CCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)Nc2ccccc21 ZINC000000295542 563237119 /nfs/dbraw/zinc/23/71/19/563237119.db2.gz FNRWOUPKHMVSOW-BEFAXECRSA-N 0 0 308.425 4.765 50 0 DJAARN O=C(Oc1cccc2cccnc21)c1ccc(Cl)cc1Cl ZINC000000293666 563237222 /nfs/dbraw/zinc/23/72/22/563237222.db2.gz FQHMFUCMMWUVNI-UHFFFAOYSA-N 0 0 318.159 4.761 50 0 DJAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1 ZINC000000293776 563237301 /nfs/dbraw/zinc/23/73/01/563237301.db2.gz DCSQKTKOFNCZIT-UHFFFAOYSA-N 0 0 322.795 4.578 50 0 DJAARN CCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000000295545 563237350 /nfs/dbraw/zinc/23/73/50/563237350.db2.gz FNRWOUPKHMVSOW-DNVCBOLYSA-N 0 0 308.425 4.765 50 0 DJAARN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1Cl ZINC000000309224 563238978 /nfs/dbraw/zinc/23/89/78/563238978.db2.gz WSTNQOPDFISSAS-UHFFFAOYSA-N 0 0 303.789 4.608 50 0 DJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000000310601 563239413 /nfs/dbraw/zinc/23/94/13/563239413.db2.gz DUALLTNBXHHDLN-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)CCC1CCCCC1 ZINC000000311815 563239586 /nfs/dbraw/zinc/23/95/86/563239586.db2.gz VYWKZEMVQMZJNN-UHFFFAOYSA-N 0 0 309.837 4.956 50 0 DJAARN O=C(Nc1ccc(F)cc1F)c1cccc(Cl)c1Cl ZINC000000310681 563239644 /nfs/dbraw/zinc/23/96/44/563239644.db2.gz JDXMFZAOMALQJO-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1Cl ZINC000000317456 563240819 /nfs/dbraw/zinc/24/08/19/563240819.db2.gz VVYAEKXZNGUKGK-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN CC(=O)Nc1cccc(-c2csc(Nc3cccc(C)c3)n2)c1 ZINC000000321937 563240969 /nfs/dbraw/zinc/24/09/69/563240969.db2.gz PDZAZIOXOBRMGQ-UHFFFAOYSA-N 0 0 323.421 4.821 50 0 DJAARN O=Cc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000332378 563241415 /nfs/dbraw/zinc/24/14/15/563241415.db2.gz IBAAHOOSQYEARR-UHFFFAOYSA-N 0 0 316.765 4.586 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000000329018 563241479 /nfs/dbraw/zinc/24/14/79/563241479.db2.gz VHURNCWCNQZSEM-GFCCVEGCSA-N 0 0 305.830 4.768 50 0 DJAARN C[NH+](C)CCS[C@H]1c2ccccc2CSc2ccccc21 ZINC000000347536 563242434 /nfs/dbraw/zinc/24/24/34/563242434.db2.gz URTZTFXEBYPGOC-SFHVURJKSA-N 0 0 315.507 4.677 50 0 DJAARN Cc1c(C)c(Br)cc(C(=O)Nc2ccccc2)c1C ZINC000000351757 563243088 /nfs/dbraw/zinc/24/30/88/563243088.db2.gz INDBHFPMPUIUGM-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN Cc1ccc(-c2nc3sc(-c4ccccc4)cc3c(=O)o2)cc1 ZINC000000348657 563243321 /nfs/dbraw/zinc/24/33/21/563243321.db2.gz NWJKDHCQVFXHQK-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000000348137 563243433 /nfs/dbraw/zinc/24/34/33/563243433.db2.gz BMFFEZWRYVAZGE-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000000361026 563244333 /nfs/dbraw/zinc/24/43/33/563244333.db2.gz IDQQTOCYHFZNSM-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000000364679 563245322 /nfs/dbraw/zinc/24/53/22/563245322.db2.gz PYNBYEKYFFWVRK-OAHLLOKOSA-N 0 0 305.377 4.554 50 0 DJAARN Cc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000000364688 563245365 /nfs/dbraw/zinc/24/53/65/563245365.db2.gz UTEFCDXFHUALNJ-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000000364949 563245907 /nfs/dbraw/zinc/24/59/07/563245907.db2.gz YATPEIYNTQOAJJ-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN CSc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000382766 563248250 /nfs/dbraw/zinc/24/82/50/563248250.db2.gz ATXHDUQWYUWGOH-UHFFFAOYSA-N 0 0 312.221 4.968 50 0 DJAARN O=C(Nc1ccccc1)c1sc(Cl)nc1-c1ccccc1 ZINC000000384912 563248717 /nfs/dbraw/zinc/24/87/17/563248717.db2.gz OIGXWXMBCSDUHY-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000392858 563249873 /nfs/dbraw/zinc/24/98/73/563249873.db2.gz VMXUECFVYARUGP-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN Cc1ccc(NC(=O)Oc2cccc3cccnc32)cc1Cl ZINC000000395233 563250081 /nfs/dbraw/zinc/25/00/81/563250081.db2.gz QVTCHJDWGWASIO-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN COc1cc(Cl)ccc1NC(=O)Nc1ccccc1Cl ZINC000000397541 563250656 /nfs/dbraw/zinc/25/06/56/563250656.db2.gz OGFJXDOYIURWTE-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)N1CCCCC1 ZINC000000396659 563250658 /nfs/dbraw/zinc/25/06/58/563250658.db2.gz TXISBXCFSRVQNB-UHFFFAOYSA-N 0 0 307.608 4.665 50 0 DJAARN COc1ccc(NC(=O)Nc2ccc(SC)cc2)c(Cl)c1 ZINC000000399714 563251270 /nfs/dbraw/zinc/25/12/70/563251270.db2.gz UNTXCPVYGWDUSH-UHFFFAOYSA-N 0 0 322.817 4.715 50 0 DJAARN Cc1cccc(Br)c1NC(=O)c1ccc(Cl)cc1 ZINC000000409513 563252077 /nfs/dbraw/zinc/25/20/77/563252077.db2.gz TWZVPIVZPCOQEP-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000000425666 563252698 /nfs/dbraw/zinc/25/26/98/563252698.db2.gz LVPCICOWCCGQDT-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN COc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn21 ZINC000000433079 563253270 /nfs/dbraw/zinc/25/32/70/563253270.db2.gz VNCMHHMRNYNTJV-UHFFFAOYSA-N 0 0 314.797 4.878 50 0 DJAARN Cc1sc(NC(=O)NC2CCCCC2)nc1-c1ccccc1 ZINC000000433862 563253486 /nfs/dbraw/zinc/25/34/86/563253486.db2.gz SBUUQLALIKYVAQ-UHFFFAOYSA-N 0 0 315.442 4.573 50 0 DJAARN CCc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000000443284 563254565 /nfs/dbraw/zinc/25/45/65/563254565.db2.gz SRONQLSFOVHYPP-UHFFFAOYSA-N 0 0 318.298 4.985 50 0 DJAARN CCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000000444360 563254935 /nfs/dbraw/zinc/25/49/35/563254935.db2.gz DLLPLPZPRXRETP-UHFFFAOYSA-N 0 0 308.381 4.850 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000000444239 563255141 /nfs/dbraw/zinc/25/51/41/563255141.db2.gz YZLJUISXKMUMIK-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN COc1c(Cl)cc(C(=O)Nc2cccc(C)c2)cc1Cl ZINC000000447383 563255468 /nfs/dbraw/zinc/25/54/68/563255468.db2.gz BDDWCMKPTSKXTK-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN COc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1Cl ZINC000000447644 563255721 /nfs/dbraw/zinc/25/57/21/563255721.db2.gz ILGXBVBZUOXXRE-UHFFFAOYSA-N 0 0 324.207 4.871 50 0 DJAARN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccccc1F ZINC000000449773 563256087 /nfs/dbraw/zinc/25/60/87/563256087.db2.gz ZOOIRFRWVAQHFN-CMDGGOBGSA-N 0 0 310.155 4.784 50 0 DJAARN Cc1c(OCCC(C)C)ccc2c(C(F)(F)F)cc(=O)oc12 ZINC000000452284 563256791 /nfs/dbraw/zinc/25/67/91/563256791.db2.gz ISPIEHLMQRAZCR-UHFFFAOYSA-N 0 0 314.303 4.545 50 0 DJAARN Cc1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000000454252 563257406 /nfs/dbraw/zinc/25/74/06/563257406.db2.gz ALQUZYRNNYANGW-VQHVLOKHSA-N 0 0 320.219 4.631 50 0 DJAARN Cc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1 ZINC000000459483 563258385 /nfs/dbraw/zinc/25/83/85/563258385.db2.gz WFYUWIUWVRNEEC-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1cc(C)cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000000460799 563258536 /nfs/dbraw/zinc/25/85/36/563258536.db2.gz BCZQNAXIYIYTQM-UHFFFAOYSA-N 0 0 317.816 4.753 50 0 DJAARN Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1C ZINC000000465397 563259719 /nfs/dbraw/zinc/25/97/19/563259719.db2.gz YGWDDWNDHCSWFJ-UHFFFAOYSA-N 0 0 308.425 4.546 50 0 DJAARN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Cl)cc2)c1C ZINC000000471310 563260723 /nfs/dbraw/zinc/26/07/23/563260723.db2.gz BJVSGYLHSLLVDL-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c(C)c1 ZINC000000472691 563261153 /nfs/dbraw/zinc/26/11/53/563261153.db2.gz ORDFDDLHYAMMJW-UHFFFAOYSA-N 0 0 324.424 4.540 50 0 DJAARN COc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1 ZINC000000473596 563261260 /nfs/dbraw/zinc/26/12/60/563261260.db2.gz MQRTXOGOIXGPFR-UHFFFAOYSA-N 0 0 310.422 4.548 50 0 DJAARN Cc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000472104 563261336 /nfs/dbraw/zinc/26/13/36/563261336.db2.gz GTPXUSNHVLUQHV-UHFFFAOYSA-N 0 0 317.388 4.969 50 0 DJAARN Cc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)nc1 ZINC000000475907 563261711 /nfs/dbraw/zinc/26/17/11/563261711.db2.gz ANWRCYRQFPPFCX-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN S=C1N=NC(c2ccccc2Cl)N1c1cccc(Cl)c1 ZINC000000477273 563262196 /nfs/dbraw/zinc/26/21/96/563262196.db2.gz YYIJGKCGSLRVRG-UHFFFAOYSA-N 0 0 322.220 4.530 50 0 DJAARN c1c(-c2ccccc2)n(-c2ccccc2)c2nc3ccccc3n12 ZINC000000477092 563262258 /nfs/dbraw/zinc/26/22/58/563262258.db2.gz FSZSLVDWSBPVQZ-UHFFFAOYSA-N 0 0 309.372 4.945 50 0 DJAARN c1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000000482486 563262767 /nfs/dbraw/zinc/26/27/67/563262767.db2.gz WMIXYMWVQLPXKC-UHFFFAOYSA-N 0 0 312.372 4.876 50 0 DJAARN CC[C@H](C)c1ccc(-c2c(C)sc(N)c2C(=O)OC)cc1 ZINC000000484203 563262923 /nfs/dbraw/zinc/26/29/23/563262923.db2.gz QTFBTADWEOWTNH-JTQLQIEISA-N 0 0 303.427 4.606 50 0 DJAARN C[C@H]1CCc2c(C(=O)Nc3ccccc3Cl)csc2C1 ZINC000000534553 563265500 /nfs/dbraw/zinc/26/55/00/563265500.db2.gz WUCIJDVASVHEQK-JTQLQIEISA-N 0 0 305.830 4.779 50 0 DJAARN S=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccccn1 ZINC000000538900 563265666 /nfs/dbraw/zinc/26/56/66/563265666.db2.gz KXILBXSASVCNPW-UHFFFAOYSA-N 0 0 320.421 4.634 50 0 DJAARN O=Cc1cn(CCOc2cccc3ccccc32)c2ccccc12 ZINC000000555507 563266186 /nfs/dbraw/zinc/26/61/86/563266186.db2.gz WXWKSQHKDPAXIK-UHFFFAOYSA-N 0 0 315.372 4.686 50 0 DJAARN CCN(CC)c1ccc(NC(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000000557439 563266210 /nfs/dbraw/zinc/26/62/10/563266210.db2.gz YDCZCSZOZHPEMP-UHFFFAOYSA-N 0 0 310.441 4.710 50 0 DJAARN COc1ccc2cc([C@@H](C)c3nc4ccccc4n3C)ccc2c1 ZINC000000561717 563266554 /nfs/dbraw/zinc/26/65/54/563266554.db2.gz ACRCBAHXOMVKJU-CQSZACIVSA-N 0 0 316.404 4.887 50 0 DJAARN Fc1ccc(Cn2c3ccccc3nc2-c2cccs2)cc1 ZINC000000572450 563267616 /nfs/dbraw/zinc/26/76/16/563267616.db2.gz ZEBDNEHWUFJIBY-UHFFFAOYSA-N 0 0 308.381 4.952 50 0 DJAARN O=C(c1cn(Cc2ccccc2Cl)c2ccccc12)C1CC1 ZINC000000578857 563267869 /nfs/dbraw/zinc/26/78/69/563267869.db2.gz DURMUDWWSZKGEX-UHFFFAOYSA-N 0 0 309.796 4.936 50 0 DJAARN CCc1c(C)c2ccc(OCc3cc(C)cc(C)c3)cc2oc1=O ZINC000000608727 563268297 /nfs/dbraw/zinc/26/82/97/563268297.db2.gz XVFNFYQIAYFLOO-UHFFFAOYSA-N 0 0 322.404 4.860 50 0 DJAARN COc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000000609682 563268562 /nfs/dbraw/zinc/26/85/62/563268562.db2.gz KHFCEHJLIHNFNM-UHFFFAOYSA-N 0 0 322.364 4.501 50 0 DJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 ZINC000000618045 563270353 /nfs/dbraw/zinc/27/03/53/563270353.db2.gz JOSZEYUORSJBPZ-DNVCBOLYSA-N 0 0 311.425 4.996 50 0 DJAARN CC(C)c1ccc(O)c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000000617605 563270377 /nfs/dbraw/zinc/27/03/77/563270377.db2.gz CGRIVHKJLDSIOU-UHFFFAOYSA-N 0 0 319.404 4.850 50 0 DJAARN Cc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000000619197 563270478 /nfs/dbraw/zinc/27/04/78/563270478.db2.gz OYXPQQXDSOGOKF-UHFFFAOYSA-N 0 0 310.344 4.823 50 0 DJAARN O=C(NCc1ccccc1Cl)c1ccccc1-c1ccccc1 ZINC000000618317 563270702 /nfs/dbraw/zinc/27/07/02/563270702.db2.gz ATGQKHABKBUVQB-UHFFFAOYSA-N 0 0 321.807 4.937 50 0 DJAARN CCC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000620858 563271163 /nfs/dbraw/zinc/27/11/63/563271163.db2.gz AUGNQOAVJIKAPR-UHFFFAOYSA-N 0 0 318.420 4.820 50 0 DJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000000619389 563271186 /nfs/dbraw/zinc/27/11/86/563271186.db2.gz FDIUNSYYXAJOKM-UHFFFAOYSA-N 0 0 308.425 4.628 50 0 DJAARN Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000619778 563271316 /nfs/dbraw/zinc/27/13/16/563271316.db2.gz PEPNTUBCJXMGSO-UHFFFAOYSA-N 0 0 314.307 4.653 50 0 DJAARN O=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000000732186 563271833 /nfs/dbraw/zinc/27/18/33/563271833.db2.gz VTARMRNEMHXGDF-UHFFFAOYSA-N 0 0 317.175 4.659 50 0 DJAARN C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000000987405 563273783 /nfs/dbraw/zinc/27/37/83/563273783.db2.gz HZZXDIZIBVDEMH-MRXNPFEDSA-N 0 0 301.389 4.845 50 0 DJAARN Cc1c2ccccc2oc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000009608083 563274589 /nfs/dbraw/zinc/27/45/89/563274589.db2.gz ZWHJTRPTWSGJTN-UHFFFAOYSA-N 0 0 313.784 4.667 50 0 DJAARN Cc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000001022042 563275126 /nfs/dbraw/zinc/27/51/26/563275126.db2.gz WHSOILQCLZQERL-UHFFFAOYSA-N 0 0 301.389 4.514 50 0 DJAARN COC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000001052384 563275779 /nfs/dbraw/zinc/27/57/79/563275779.db2.gz MOHGLUSZOCIQRA-UHFFFAOYSA-N 0 0 310.378 4.655 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)o1 ZINC000001055921 563276385 /nfs/dbraw/zinc/27/63/85/563276385.db2.gz FRBCYQKWQNGRMM-UHFFFAOYSA-N 0 0 321.376 4.728 50 0 DJAARN O=C(Cc1cccs1)Nc1ccccc1Oc1ccccc1 ZINC000001056644 563276567 /nfs/dbraw/zinc/27/65/67/563276567.db2.gz VHPQPVVGICTZDX-UHFFFAOYSA-N 0 0 309.390 4.722 50 0 DJAARN CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000001088655 563277051 /nfs/dbraw/zinc/27/70/51/563277051.db2.gz LOQNHISZOSDBOL-OAQYLSRUSA-N 0 0 321.464 4.662 50 0 DJAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001117095 563277953 /nfs/dbraw/zinc/27/79/53/563277953.db2.gz APCDYFKOPDZAGH-KRWDZBQOSA-N 0 0 315.416 4.696 50 0 DJAARN Cc1cc(O[C@H](C)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 ZINC000001165086 563278693 /nfs/dbraw/zinc/27/86/93/563278693.db2.gz HIWDEUBWOZEMJB-OAHLLOKOSA-N 0 0 308.377 4.858 50 0 DJAARN COC(=O)c1c(N)scc1-c1ccc(C2CCCCC2)cc1 ZINC000001218812 563279224 /nfs/dbraw/zinc/27/92/24/563279224.db2.gz XMKUQQGXRIHGOO-UHFFFAOYSA-N 0 0 315.438 4.832 50 0 DJAARN CCCC[C@H](CC)C(=O)Nc1ccc(C)cc1Br ZINC000002104898 563300199 /nfs/dbraw/zinc/30/01/99/563300199.db2.gz IHFBTFZJAMBJHI-LBPRGKRZSA-N 0 0 312.251 4.912 50 0 DJAARN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001230079 563280321 /nfs/dbraw/zinc/28/03/21/563280321.db2.gz ILTZASUXYCBBMI-KRWDZBQOSA-N 0 0 315.416 4.696 50 0 DJAARN COc1ccc(CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000001230646 563280353 /nfs/dbraw/zinc/28/03/53/563280353.db2.gz BTZCYLIYCIQNRP-UHFFFAOYSA-N 0 0 317.388 4.543 50 0 DJAARN Cc1ccc(-c2cc(N)n(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000001393674 563282181 /nfs/dbraw/zinc/28/21/81/563282181.db2.gz GSSYMFQJNPWWOX-UHFFFAOYSA-N 0 0 318.207 4.737 50 0 DJAARN O[C@@H](Cc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000001494993 563284884 /nfs/dbraw/zinc/28/48/84/563284884.db2.gz DGRBZNRHQQJHDE-KRWDZBQOSA-N 0 0 317.310 4.530 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)OC/C=C/c1ccccc1 ZINC000001741570 563294508 /nfs/dbraw/zinc/29/45/08/563294508.db2.gz XMXGQHBTYYOODG-RMKNXTFCSA-N 0 0 301.773 4.910 50 0 DJAARN CCCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001776738 563295853 /nfs/dbraw/zinc/29/58/53/563295853.db2.gz BNCILNKSHAIXDX-UHFFFAOYSA-N 0 0 308.834 4.516 50 0 DJAARN CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2F)cc1 ZINC000001779866 563295933 /nfs/dbraw/zinc/29/59/33/563295933.db2.gz YFKAWGVLQQTOKM-JLHYYAGUSA-N 0 0 313.372 4.657 50 0 DJAARN COc1ccccc1-n1cc(-c2ccc(Cl)cc2)[nH]c1=S ZINC000001811983 563296237 /nfs/dbraw/zinc/29/62/37/563296237.db2.gz VMWXZTZPBXZDJF-UHFFFAOYSA-N 0 0 316.813 4.864 50 0 DJAARN CCCCOC(=O)c1ccc(OC(=O)[C@@H](CC)CCCC)cc1 ZINC000002065821 563298830 /nfs/dbraw/zinc/29/88/30/563298830.db2.gz OMSNMLXXWQFTSM-HNNXBMFYSA-N 0 0 320.429 4.765 50 0 DJAARN O=C(NCCCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002052379 563298900 /nfs/dbraw/zinc/29/89/00/563298900.db2.gz LVXQNWXTCLNBBK-UHFFFAOYSA-N 0 0 315.416 4.716 50 0 DJAARN CCCCOc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000002052402 563298928 /nfs/dbraw/zinc/29/89/28/563298928.db2.gz MBNXDSLKVCXMHB-UHFFFAOYSA-N 0 0 303.789 4.771 50 0 DJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000002069819 563298998 /nfs/dbraw/zinc/29/89/98/563298998.db2.gz PSVDWUNLSXHKPK-HNNXBMFYSA-N 0 0 323.436 4.830 50 0 DJAARN CCCCc1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 ZINC000002083536 563299420 /nfs/dbraw/zinc/29/94/20/563299420.db2.gz RUKXGQHQFATEEJ-UHFFFAOYSA-N 0 0 311.425 4.609 50 0 DJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000002141567 563300107 /nfs/dbraw/zinc/30/01/07/563300107.db2.gz APQPBJJPHDHBJP-UHFFFAOYSA-N 0 0 305.727 4.878 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000002165492 563300828 /nfs/dbraw/zinc/30/08/28/563300828.db2.gz ZVQRIVJQEPCCDT-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN CCCCCCOc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000002190105 563301349 /nfs/dbraw/zinc/30/13/49/563301349.db2.gz RIPRHHDVYPQKJU-UHFFFAOYSA-N 0 0 311.425 4.576 50 0 biogenic DJAARN CC[C@H](C)Nc1cc(C)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000002348343 563302822 /nfs/dbraw/zinc/30/28/22/563302822.db2.gz BPWKTIJEQUDDCO-NSHDSACASA-N 0 0 314.820 4.569 50 0 DJAARN Cc1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1 ZINC000002452057 563303607 /nfs/dbraw/zinc/30/36/07/563303607.db2.gz VTDHRTNZHVPWDR-UHFFFAOYSA-N 0 0 303.409 4.596 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCCOc1ccc(C)c(C)c1 ZINC000002494256 563304317 /nfs/dbraw/zinc/30/43/17/563304317.db2.gz RLGMWPXBCVDSLH-UHFFFAOYSA-N 0 0 300.446 4.825 50 0 DJAARN Cc1cc(C)cc(OCc2nc(-c3ccccc3Cl)no2)c1 ZINC000002502263 563304321 /nfs/dbraw/zinc/30/43/21/563304321.db2.gz SNUVEEIBSNTDHY-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN COc1cccc(CCC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000002516523 563306878 /nfs/dbraw/zinc/30/68/78/563306878.db2.gz YFXHXYWJVOSMDM-UHFFFAOYSA-N 0 0 308.299 4.530 50 0 DJAARN CSc1ccccc1C(=O)CCc1cc(F)c(F)c(F)c1 ZINC000002517847 563307250 /nfs/dbraw/zinc/30/72/50/563307250.db2.gz SCSNSSJNGMXIHG-UHFFFAOYSA-N 0 0 310.340 4.641 50 0 DJAARN CCOC(=O)CCCCCC(=O)c1cccc(Cl)c1Cl ZINC000002580336 563310523 /nfs/dbraw/zinc/31/05/23/563310523.db2.gz HZEZVRYEAQLCQG-UHFFFAOYSA-N 0 0 317.212 4.690 50 0 DJAARN Cc1cccc(COc2ccc(-c3noc(C(C)(C)C)n3)cc2)c1 ZINC000034680370 563313284 /nfs/dbraw/zinc/31/32/84/563313284.db2.gz IWXQJEMKNDVYHN-UHFFFAOYSA-N 0 0 322.408 4.922 50 0 DJAARN CCCOc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000002811470 563313569 /nfs/dbraw/zinc/31/35/69/563313569.db2.gz JTNUUKSNIQEGFA-UHFFFAOYSA-N 0 0 305.377 4.881 50 0 DJAARN O=C(CCc1ccccc1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000002835303 563314172 /nfs/dbraw/zinc/31/41/72/563314172.db2.gz IKUJJTSGFVYLDO-NRFANRHFSA-N 0 0 307.437 4.667 50 0 DJAARN CCC(C)(C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002849562 563314936 /nfs/dbraw/zinc/31/49/36/563314936.db2.gz WYEDCKUVFGHVJB-QGZVFWFLSA-N 0 0 313.466 4.825 50 0 DJAARN Cc1ccc(C)c(OCCCCSc2ncccn2)c1Cl ZINC000002845202 563315069 /nfs/dbraw/zinc/31/50/69/563315069.db2.gz BBNCMRCYNRSFOW-UHFFFAOYSA-N 0 0 322.861 4.698 50 0 DJAARN c1ccc2c(c1)cccc2CSc1nnc(-c2cccnc2)o1 ZINC000002858632 563315565 /nfs/dbraw/zinc/31/55/65/563315565.db2.gz YMJNUXHEAVJPKY-UHFFFAOYSA-N 0 0 319.389 4.577 50 0 DJAARN Cc1c2ccccc2oc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000002874459 563316107 /nfs/dbraw/zinc/31/61/07/563316107.db2.gz ZGTHZPFLEWRRST-UHFFFAOYSA-N 0 0 322.389 4.912 50 0 DJAARN COc1c(Cl)cc(C(=O)Oc2cccc(C)c2)cc1Cl ZINC000002890587 563317023 /nfs/dbraw/zinc/31/70/23/563317023.db2.gz TYYCNZQKPGAKCJ-UHFFFAOYSA-N 0 0 311.164 4.530 50 0 DJAARN Cc1cc(NC(=O)c2ccccc2Cl)ccc1Br ZINC000002902635 563317309 /nfs/dbraw/zinc/31/73/09/563317309.db2.gz XYCSYFPYWXHJJT-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3C)nc2c1 ZINC000002979988 563318919 /nfs/dbraw/zinc/31/89/19/563318919.db2.gz QLDNECOOWJWPRD-UHFFFAOYSA-N 0 0 308.381 4.706 50 0 DJAARN CCOc1ccccc1OCCCOc1ccccc1Cl ZINC000002984898 563319207 /nfs/dbraw/zinc/31/92/07/563319207.db2.gz YHCOLPQHXMMDMD-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN COc1ccccc1OCCCOc1cc(C(C)C)ccc1C ZINC000002986943 563319938 /nfs/dbraw/zinc/31/99/38/563319938.db2.gz YTRGVYWQNJLZDZ-UHFFFAOYSA-N 0 0 314.425 4.975 50 0 DJAARN COc1cccc(OCCCOc2ccc(Cl)c(C)c2C)c1 ZINC000002994774 563320658 /nfs/dbraw/zinc/32/06/58/563320658.db2.gz YWPSOXWLPNEXNS-UHFFFAOYSA-N 0 0 320.816 4.813 50 0 DJAARN OC(Cc1c[nH]c2ccccc12)(c1ccccc1)c1ccccc1 ZINC000003073624 563320885 /nfs/dbraw/zinc/32/08/85/563320885.db2.gz MEUKPODTXKAQHY-UHFFFAOYSA-N 0 0 313.400 4.647 50 0 DJAARN CCc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000003065125 563320971 /nfs/dbraw/zinc/32/09/71/563320971.db2.gz ZUVALFZZSHHLIU-UHFFFAOYSA-N 0 0 322.433 4.528 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1CCCCCC1 ZINC000003136796 563322464 /nfs/dbraw/zinc/32/24/64/563322464.db2.gz IOKOIZHLQCQIKJ-UHFFFAOYSA-N 0 0 300.324 4.550 50 0 DJAARN CSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003122487 563322555 /nfs/dbraw/zinc/32/25/55/563322555.db2.gz FZVHZJIOWBGQOW-UHFFFAOYSA-N 0 0 312.221 4.968 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)OCc1ccc(F)cc1 ZINC000003122488 563322628 /nfs/dbraw/zinc/32/26/28/563322628.db2.gz NXWUYDJEWFEECE-UHFFFAOYSA-N 0 0 314.143 4.881 50 0 DJAARN COc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000003152150 563322909 /nfs/dbraw/zinc/32/29/09/563322909.db2.gz UBNMVLOOOQOJSF-UHFFFAOYSA-N 0 0 315.457 4.803 50 0 DJAARN CC(C)(C)C(=O)Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000034793658 563323994 /nfs/dbraw/zinc/32/39/94/563323994.db2.gz ZXXRGWCYGSGWOA-UHFFFAOYSA-N 0 0 317.820 4.592 50 0 DJAARN Fc1cccc(OCc2noc(-c3ccc4ccccc4c3)n2)c1 ZINC000034907019 563324600 /nfs/dbraw/zinc/32/46/00/563324600.db2.gz QLBAZTPYIJQDPC-UHFFFAOYSA-N 0 0 320.323 4.608 50 0 DJAARN CCOc1cccc(-c2coc3ccc(Cl)cc3c2=O)c1 ZINC000034909610 563324655 /nfs/dbraw/zinc/32/46/55/563324655.db2.gz INCZUJVYGPQUSO-UHFFFAOYSA-N 0 0 300.741 4.512 50 0 DJAARN CCCC[C@@H](C)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000006172868 563332083 /nfs/dbraw/zinc/33/20/83/563332083.db2.gz SWLIOHQOOUYMBE-LLVKDONJSA-N 0 0 309.866 4.714 50 0 DJAARN CCCc1cc(N[C@H](C)CC)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002364188 563332401 /nfs/dbraw/zinc/33/24/01/563332401.db2.gz KRYBBPISGMTWEK-CQSZACIVSA-N 0 0 322.456 4.868 50 0 DJAARN Cc1c(C)c(C2=C[C@H](c3[nH]c(C=O)c(C)c3C)CCC2)[nH]c1C=O ZINC000006933255 563335467 /nfs/dbraw/zinc/33/54/67/563335467.db2.gz MPIPZMGQMSXBQY-OAHLLOKOSA-N 0 0 324.424 4.553 50 0 DJAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)C4CCCC4)cc3)nc2c1 ZINC000007343517 563337908 /nfs/dbraw/zinc/33/79/08/563337908.db2.gz OGCKPELZFMNPLL-UHFFFAOYSA-N 0 0 319.408 4.667 50 0 DJAARN CCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000002713271 563338497 /nfs/dbraw/zinc/33/84/97/563338497.db2.gz GCSSGIDCAIYRGH-UHFFFAOYSA-N 0 0 314.816 4.721 50 0 DJAARN Cc1cccc(OCCCSCc2nc3ccccc3[nH]2)c1 ZINC000002699513 563338545 /nfs/dbraw/zinc/33/85/45/563338545.db2.gz SWQLNZPPKYQUJB-UHFFFAOYSA-N 0 0 312.438 4.574 50 0 DJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000002740182 563340086 /nfs/dbraw/zinc/34/00/86/563340086.db2.gz AWTUXFVJUCTOLG-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN CCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000002736689 563340149 /nfs/dbraw/zinc/34/01/49/563340149.db2.gz CTRRCJKUNGVRJY-UHFFFAOYSA-N 0 0 318.420 4.740 50 0 DJAARN CCOc1ccc2ccccc2c1C(=O)NCCC1=CCCCC1 ZINC000008382849 563346433 /nfs/dbraw/zinc/34/64/33/563346433.db2.gz QXBYAGLMAJIKFV-UHFFFAOYSA-N 0 0 323.436 4.859 50 0 DJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1F ZINC000008382796 563346718 /nfs/dbraw/zinc/34/67/18/563346718.db2.gz PWMUKONPIRVSEC-UHFFFAOYSA-N 0 0 309.340 4.630 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1c(Cl)cccc1Cl ZINC000008974819 563351476 /nfs/dbraw/zinc/35/14/76/563351476.db2.gz WDBXPUDXLWHIBQ-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN O=C(Nc1cccc2ncccc21)C1(c2ccccc2)CCCC1 ZINC000009051748 563351593 /nfs/dbraw/zinc/35/15/93/563351593.db2.gz JGLZEMPFXDWKBT-UHFFFAOYSA-N 0 0 316.404 4.685 50 0 DJAARN CC(C)Oc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000012137908 563362453 /nfs/dbraw/zinc/36/24/53/563362453.db2.gz DOMHJKDBRYYUFE-UHFFFAOYSA-N 0 0 323.314 4.745 50 0 DJAARN CCC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000012192849 563363885 /nfs/dbraw/zinc/36/38/85/563363885.db2.gz DHCNZIMQSIXFMW-QUCCMNQESA-N 0 0 306.409 4.746 50 0 DJAARN Cc1oc(-c2cccs2)nc1CN(C)[C@@H](C)c1cccs1 ZINC000012456493 563369643 /nfs/dbraw/zinc/36/96/43/563369643.db2.gz SWISKZFSWMEBGY-NSHDSACASA-N 0 0 318.467 4.966 50 0 DJAARN Cc1ccc(C(C)(C)C)cc1S[C@@H](C(N)=O)c1ccccc1 ZINC000012806370 563374029 /nfs/dbraw/zinc/37/40/29/563374029.db2.gz KWEJPQDTZCYHTN-QGZVFWFLSA-N 0 0 313.466 4.611 50 0 DJAARN O=C(Nc1ccccn1)c1sc2cc(Cl)ccc2c1Cl ZINC000012946232 563375503 /nfs/dbraw/zinc/37/55/03/563375503.db2.gz BVCSBRNISCVJOU-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN Cc1cc(C(=O)Nc2cccc(C)c2C)c(C)n1Cc1ccco1 ZINC000012997853 563376601 /nfs/dbraw/zinc/37/66/01/563376601.db2.gz JJPFGJXAMNERAA-UHFFFAOYSA-N 0 0 322.408 4.615 50 0 DJAARN Cc1ccccc1OCCSc1nc2cc(Cl)ccc2[nH]1 ZINC000013063437 563377158 /nfs/dbraw/zinc/37/71/58/563377158.db2.gz JUTVWGQGHOJFPK-UHFFFAOYSA-N 0 0 318.829 4.696 50 0 DJAARN Cc1cc(C(=O)Nc2cc(C)cc(C)c2)c(C)n1Cc1ccco1 ZINC000013001111 563377645 /nfs/dbraw/zinc/37/76/45/563377645.db2.gz PNQKUIJFYLMDAU-UHFFFAOYSA-N 0 0 322.408 4.615 50 0 DJAARN FC(F)(F)c1cccc(OCCCn2cnc3ccccc32)c1 ZINC000013281912 563380047 /nfs/dbraw/zinc/38/00/47/563380047.db2.gz MYANAQOZWLDKPH-UHFFFAOYSA-N 0 0 320.314 4.524 50 0 DJAARN O/N=c1/oc2cc3occ(-c4ccccc4)c3cc2c2c1CCC2 ZINC000013727773 563388170 /nfs/dbraw/zinc/38/81/70/563388170.db2.gz ORUDIJFCINWMFK-QZQOTICOSA-N 0 0 317.344 4.625 50 0 DJAARN CC[C@@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000013811179 563389523 /nfs/dbraw/zinc/38/95/23/563389523.db2.gz AYAMGMSPAYITIF-RHSMWYFYSA-N 0 0 316.788 4.603 50 0 DJAARN Cc1ccc(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000032753948 563390702 /nfs/dbraw/zinc/39/07/02/563390702.db2.gz ANQBKMHGWLFZPI-OAHLLOKOSA-N 0 0 307.393 4.503 50 0 DJAARN CCN(C(=O)c1ccc(C)c(-n2cccc2)c1)c1ccccc1C ZINC000032753822 563390708 /nfs/dbraw/zinc/39/07/08/563390708.db2.gz PYHFANMDTRLTKZ-UHFFFAOYSA-N 0 0 318.420 4.761 50 0 DJAARN CCCCn1nc(C)c2c1nc(-c1ccco1)cc2C(F)F ZINC000013961189 563393300 /nfs/dbraw/zinc/39/33/00/563393300.db2.gz QWMZPPQWXWLAIH-UHFFFAOYSA-N 0 0 305.328 4.737 50 0 DJAARN CCc1noc(C)c1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000014022009 563393962 /nfs/dbraw/zinc/39/39/62/563393962.db2.gz VHUITHWNOHFAJO-UHFFFAOYSA-N 0 0 322.364 4.590 50 0 DJAARN Cc1cccc(-c2nnc([C@H](C)Nc3ccc(Cl)cc3)o2)c1 ZINC000014136040 563396420 /nfs/dbraw/zinc/39/64/20/563396420.db2.gz GQIZTMBIAIDGEG-LBPRGKRZSA-N 0 0 313.788 4.872 50 0 DJAARN c1oc(-c2ccccc2)nc1CN1CC=C(c2ccccc2)CC1 ZINC000014165514 563396998 /nfs/dbraw/zinc/39/69/98/563396998.db2.gz NYNVSOXVGABSMD-UHFFFAOYSA-N 0 0 316.404 4.631 50 0 DJAARN O=C(Nc1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2o1 ZINC000014239886 563398749 /nfs/dbraw/zinc/39/87/49/563398749.db2.gz MZIXLYIOKJTMEB-UHFFFAOYSA-N 0 0 307.683 4.617 50 0 DJAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000014242797 563398944 /nfs/dbraw/zinc/39/89/44/563398944.db2.gz SFIKQXYGIUKLMY-SECBINFHSA-N 0 0 310.731 4.501 50 0 DJAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000014255421 563399625 /nfs/dbraw/zinc/39/96/25/563399625.db2.gz GMWVIEXEJABDMC-HNNXBMFYSA-N 0 0 317.454 4.618 50 0 DJAARN Cc1cc(C)cc(NC(=O)CCSc2ccccc2F)c1 ZINC000014673127 563402253 /nfs/dbraw/zinc/40/22/53/563402253.db2.gz ZPVIMFHOKAGPMY-UHFFFAOYSA-N 0 0 303.402 4.563 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc2n1 ZINC000015010600 563405163 /nfs/dbraw/zinc/40/51/63/563405163.db2.gz KFPUDUDIVNZVGX-UHFFFAOYSA-N 0 0 314.747 4.588 50 0 DJAARN CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1OC)N2 ZINC000015017805 563406199 /nfs/dbraw/zinc/40/61/99/563406199.db2.gz JSDGFFUVLZVHDB-NDXORKPFSA-N 0 0 323.436 4.892 50 0 DJAARN CCc1cccc(C)c1NC(=O)CNc1ccc(Cl)cc1C ZINC000015290314 563409198 /nfs/dbraw/zinc/40/91/98/563409198.db2.gz XHNDCAOEPNUGFA-UHFFFAOYSA-N 0 0 316.832 4.570 50 0 DJAARN CCc1ccccc1NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000016280536 563411467 /nfs/dbraw/zinc/41/14/67/563411467.db2.gz OOZRQQXMHBTXPA-UHFFFAOYSA-N 0 0 322.380 4.659 50 0 DJAARN Cc1cc(C)cc(N(C(=O)Nc2ccccc2)C2=NCCC2)c1 ZINC000017010538 563413406 /nfs/dbraw/zinc/41/34/06/563413406.db2.gz XIODUDXCRTZVFU-UHFFFAOYSA-N 0 0 307.397 4.534 50 0 DJAARN O=C(Nc1cc(F)ccc1F)Oc1ccc(Cl)cc1Cl ZINC000000398655 563414339 /nfs/dbraw/zinc/41/43/39/563414339.db2.gz SBZKPESDXDPOEQ-UHFFFAOYSA-N 0 0 318.106 4.883 50 0 DJAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NO2)cc1 ZINC000032935042 563414699 /nfs/dbraw/zinc/41/46/99/563414699.db2.gz WKQVRCPIXWLVPD-MRXNPFEDSA-N 0 0 316.198 4.623 50 0 DJAARN CC1CCN(c2c(Cl)c(Cl)nc(Cl)c2Cl)CC1 ZINC000019848308 563415935 /nfs/dbraw/zinc/41/59/35/563415935.db2.gz DWGUWSCKGWKVCP-UHFFFAOYSA-N 0 0 314.043 4.932 50 0 DJAARN CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000005633144 563419237 /nfs/dbraw/zinc/41/92/37/563419237.db2.gz OOEPTWYVKXPRLY-MSOLQXFVSA-N 0 0 323.480 4.736 50 0 DJAARN O=Cc1ccc(Br)cc1Oc1cccc(Cl)c1 ZINC000036985322 563421021 /nfs/dbraw/zinc/42/10/21/563421021.db2.gz ZDIPDRFDJGOUSU-UHFFFAOYSA-N 0 0 311.562 4.707 50 0 DJAARN Cc1ccsc1C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000025929288 563424518 /nfs/dbraw/zinc/42/45/18/563424518.db2.gz CTALYMYDGVRLNX-UHFFFAOYSA-N 0 0 324.405 4.841 50 0 DJAARN C[C@H](NC(=O)Nc1cccc2ccccc21)c1ccc(F)cc1 ZINC000011003604 563424896 /nfs/dbraw/zinc/42/48/96/563424896.db2.gz WPDIWYHGQWJEEI-ZDUSSCGKSA-N 0 0 308.356 4.862 50 0 DJAARN O=C(NCC1CCC1)c1cc2sc3ccccc3c2s1 ZINC000026140158 563425094 /nfs/dbraw/zinc/42/50/94/563425094.db2.gz GJZDODOGGWMPMX-UHFFFAOYSA-N 0 0 301.436 4.646 50 0 DJAARN COc1ccccc1[C@H](C)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000026333437 563425303 /nfs/dbraw/zinc/42/53/03/563425303.db2.gz HTIPYWRKRHBYCF-HNNXBMFYSA-N 0 0 322.408 4.543 50 0 DJAARN CC(=O)c1c(C)cc(C)c(CSc2ncc3ccccn32)c1C ZINC000026372880 563426082 /nfs/dbraw/zinc/42/60/82/563426082.db2.gz GETGVNOUHCPAPL-UHFFFAOYSA-N 0 0 324.449 4.754 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000027255191 563427473 /nfs/dbraw/zinc/42/74/73/563427473.db2.gz IRQNCCGYCLLPIX-YWZLYKJASA-N 0 0 322.452 4.708 50 0 DJAARN C[C@@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2s1 ZINC000030549468 563437112 /nfs/dbraw/zinc/43/71/12/563437112.db2.gz BEJIWRPAZUJNDO-LLVKDONJSA-N 0 0 313.447 4.722 50 0 DJAARN CC(=O)C(C(C)=O)[C@H](Sc1ccc(C)cc1)c1ccccc1 ZINC000000280676 563447582 /nfs/dbraw/zinc/44/75/82/563447582.db2.gz QEBXKAZCXKBMGN-LJQANCHMSA-N 0 0 312.434 4.623 50 0 DJAARN c1ccc2c(c1)[nH]c1c2CCN(Cc2cccc3ccccc32)C1 ZINC000003684397 563449818 /nfs/dbraw/zinc/44/98/18/563449818.db2.gz QFMHTYVMXTUMOZ-UHFFFAOYSA-N 0 0 312.416 4.879 50 0 DJAARN CCOc1ccccc1OCCCOc1cccc(C)c1C ZINC000002994829 563449845 /nfs/dbraw/zinc/44/98/45/563449845.db2.gz PICPPJIAVXITJD-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2C=CCCCC[C@H]21 ZINC000005101574 563450560 /nfs/dbraw/zinc/45/05/60/563450560.db2.gz YKKQZNRTCYTFJV-YWPYICTPSA-N 0 0 310.224 4.924 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000036620453 563455875 /nfs/dbraw/zinc/45/58/75/563455875.db2.gz KGBSVGRRTYUNSQ-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1F ZINC000036620813 563455926 /nfs/dbraw/zinc/45/59/26/563455926.db2.gz STHDBYIPCCVPAY-QGZVFWFLSA-N 0 0 316.351 4.642 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000036620671 563455952 /nfs/dbraw/zinc/45/59/52/563455952.db2.gz SYSMOZKFUUPVNH-IBGZPJMESA-N 0 0 324.424 4.627 50 0 DJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000036620859 563456036 /nfs/dbraw/zinc/45/60/36/563456036.db2.gz AHTJTDJXKCTNEF-IBGZPJMESA-N 0 0 324.424 4.681 50 0 DJAARN CCN(C(=O)c1ccc(COC)cc1)c1cccc2ccccc21 ZINC000046301874 563458969 /nfs/dbraw/zinc/45/89/69/563458969.db2.gz SQQFYXYEFWMGMH-UHFFFAOYSA-N 0 0 319.404 4.653 50 0 DJAARN Nc1cc(Cl)c(Oc2ncccc2C(F)(F)F)c(Cl)c1 ZINC000044676213 563462526 /nfs/dbraw/zinc/46/25/26/563462526.db2.gz XNPBYWGMWIJYGT-UHFFFAOYSA-N 0 0 323.101 4.782 50 0 DJAARN CC[C@@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000013596872 563467076 /nfs/dbraw/zinc/46/70/76/563467076.db2.gz OKVUYXINBKFLCD-BOUXLOLZSA-N 0 0 308.425 4.621 50 0 DJAARN C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000013684292 563469207 /nfs/dbraw/zinc/46/92/07/563469207.db2.gz BCNWUSZGNAKVGY-JOYOIKCWSA-N 0 0 317.285 4.859 50 0 DJAARN Cc1ccc(CNC(=S)Nc2ccccc2C(C)(C)C)cc1 ZINC000013794044 563473847 /nfs/dbraw/zinc/47/38/47/563473847.db2.gz HXUXCZKHHJNJIK-UHFFFAOYSA-N 0 0 312.482 4.779 50 0 DJAARN CCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000055450199 563475411 /nfs/dbraw/zinc/47/54/11/563475411.db2.gz XZBGVWXVDNDYBH-SVFBPWRDSA-N 0 0 307.437 4.790 50 0 DJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C)cc2C)s1 ZINC000033049114 563477965 /nfs/dbraw/zinc/47/79/65/563477965.db2.gz VCMPLRBZSHOMDY-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000058157858 563478381 /nfs/dbraw/zinc/47/83/81/563478381.db2.gz YRAMPCLNJSKYMO-FQEVSTJZSA-N 0 0 318.420 4.578 50 0 DJAARN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000058546956 563479434 /nfs/dbraw/zinc/47/94/34/563479434.db2.gz OZUIPNMWFGWFOM-RIACROSXSA-N 0 0 304.474 4.613 50 0 DJAARN CCC(=O)Nc1ccc(C)cc1-c1c(Cl)cccc1OC ZINC000067713385 563489946 /nfs/dbraw/zinc/48/99/46/563489946.db2.gz UTPAXBUJIXRLDU-UHFFFAOYSA-N 0 0 303.789 4.673 50 0 DJAARN C/C=C/C(=O)Nc1ccccc1-c1c(Cl)cccc1OC ZINC000067934268 563493599 /nfs/dbraw/zinc/49/35/99/563493599.db2.gz NMZNMLWYGHMVOR-XVNBXDOJSA-N 0 0 301.773 4.530 50 0 DJAARN O=C(CCC1CCCC1)Nc1ncccc1OCc1ccccc1 ZINC000068740932 563495865 /nfs/dbraw/zinc/49/58/65/563495865.db2.gz NWDMPZVGSCXITR-UHFFFAOYSA-N 0 0 324.424 4.570 50 0 DJAARN Cc1[nH]c(-c2ccc(C)cc2)cc1C(=O)NCc1ccccc1C ZINC000033139621 563497916 /nfs/dbraw/zinc/49/79/16/563497916.db2.gz SQEQXNHLGUOPEC-UHFFFAOYSA-N 0 0 318.420 4.537 50 0 DJAARN CCc1nn2c(nccc2-c2ccccc2)c1-c1ccc(F)cc1 ZINC000071375753 563499015 /nfs/dbraw/zinc/49/90/15/563499015.db2.gz ZOSNIJGDWCKPPH-UHFFFAOYSA-N 0 0 317.367 4.765 50 0 DJAARN Cc1nn2c(nccc2-c2ccc(F)cc2)c1-c1ccc(F)cc1 ZINC000071375469 563499264 /nfs/dbraw/zinc/49/92/64/563499264.db2.gz JWSXXFKWILITLE-UHFFFAOYSA-N 0 0 321.330 4.650 50 0 DJAARN Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000077302272 563508544 /nfs/dbraw/zinc/50/85/44/563508544.db2.gz LAYTVJVKSVZCBE-GOSISDBHSA-N 0 0 315.363 4.641 50 0 DJAARN Fc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)c(F)c1 ZINC000000040846 563508572 /nfs/dbraw/zinc/50/85/72/563508572.db2.gz SDNIRXJLXKGCFE-UHFFFAOYSA-N 0 0 316.735 4.566 50 0 DJAARN CCc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000042696 563509494 /nfs/dbraw/zinc/50/94/94/563509494.db2.gz XIYJHRBYAHYWBE-UHFFFAOYSA-N 0 0 305.830 4.633 50 0 DJAARN c1ccc2c(c1)nnn2CNc1ccc(C2CCCCC2)cc1 ZINC000000044836 563512025 /nfs/dbraw/zinc/51/20/25/563512025.db2.gz LNTVGBWAWIKGKA-UHFFFAOYSA-N 0 0 306.413 4.549 50 0 DJAARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 ZINC000033317246 563520039 /nfs/dbraw/zinc/52/00/39/563520039.db2.gz XERVQFCOUVJNKK-VURMDHGXSA-N 0 0 318.203 4.596 50 0 DJAARN Cc1cc2[nH]c(COc3ccc(Cl)c(C)c3)nc2c(C)c1 ZINC000033327193 563521776 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/nfs/dbraw/zinc/52/88/68/563528868.db2.gz XXTLRAGYZGWOIT-UHFFFAOYSA-N 0 0 309.896 4.655 50 0 DJAARN CC1(C)[C@H]2C[C@@H]1[C@](C)(OCc1ccc3ccccc3c1)[C@H](O)C2 ZINC000095099972 563529116 /nfs/dbraw/zinc/52/91/16/563529116.db2.gz NPEWTQVRFLMGHP-HUUJSLGLSA-N 0 0 310.437 4.542 50 0 DJAARN Nc1ccc(-c2cc3c(n2Cc2ccccc2)CCCC3)cc1 ZINC000095951732 563531249 /nfs/dbraw/zinc/53/12/49/563531249.db2.gz HOFDOPBUOJYTMQ-UHFFFAOYSA-N 0 0 302.421 4.664 50 0 DJAARN COc1cccc(-c2coc3cc4oc(=O)c(C)c(C)c4cc32)c1 ZINC000000095353 563531627 /nfs/dbraw/zinc/53/16/27/563531627.db2.gz CENLGJHOOPWDQN-UHFFFAOYSA-N 0 0 320.344 4.832 50 0 biogenic DJAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccnc1 ZINC000100630811 563552367 /nfs/dbraw/zinc/55/23/67/563552367.db2.gz XNTQYMXXSAXOGU-LJQANCHMSA-N 0 0 319.408 4.953 50 0 DJAARN CCCCCOc1ccccc1C[C@H]1c2cccc(C)c2NC1=O ZINC000101016768 563555682 /nfs/dbraw/zinc/55/56/82/563555682.db2.gz VOJRZNAMYDCWJY-SFHVURJKSA-N 0 0 323.436 4.842 50 0 DJAARN 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314.772 4.850 50 0 DJAARN C[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000102756026 563662466 /nfs/dbraw/zinc/66/24/66/563662466.db2.gz IWWQGYJXQABYSB-INIZCTEOSA-N 0 0 301.389 4.767 50 0 DJAARN Fc1ccc(Nc2nc(-c3ccccn3)nc3ccccc32)cc1 ZINC000000522090 563664576 /nfs/dbraw/zinc/66/45/76/563664576.db2.gz TVUGQICVYUTADA-UHFFFAOYSA-N 0 0 316.339 4.575 50 0 DJAARN Cc1cc(C)c(NC(=O)c2nc(Cl)ccc2Cl)c(C)c1 ZINC000014137459 563665144 /nfs/dbraw/zinc/66/51/44/563665144.db2.gz BFPAWUGWWKRLRS-UHFFFAOYSA-N 0 0 309.196 4.566 50 0 DJAARN CC(C)C[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000000534318 563666683 /nfs/dbraw/zinc/66/66/83/563666683.db2.gz NAOXDZXUBBQEHQ-MAUKXSAKSA-N 0 0 312.438 4.664 50 0 DJAARN CC[C@H](C)n1c(-c2cccs2)nc2nc3ccccc3nc21 ZINC000000541119 563668228 /nfs/dbraw/zinc/66/82/28/563668228.db2.gz MVIZQVBDUVVXQS-NSHDSACASA-N 0 0 308.410 4.679 50 0 DJAARN O=c1oc(-c2ccccc2F)nc2scc(-c3ccccc3)c21 ZINC000000546445 563669483 /nfs/dbraw/zinc/66/94/83/563669483.db2.gz BNUXVRXTVBPVAC-UHFFFAOYSA-N 0 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COc1cc(Cl)c(C)cc1NC(=O)Nc1cccc(F)c1C ZINC000051354563 563690996 /nfs/dbraw/zinc/69/09/96/563690996.db2.gz PESBBNMZBDKWPE-UHFFFAOYSA-N 0 0 322.767 4.749 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1F ZINC000051354433 563691064 /nfs/dbraw/zinc/69/10/64/563691064.db2.gz KVEVTFYINWLXLQ-UHFFFAOYSA-N 0 0 316.229 4.628 50 0 DJAARN O=C(Nc1ccccc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000046018601 563691633 /nfs/dbraw/zinc/69/16/33/563691633.db2.gz UNCRKFLXLNZPAI-MRXNPFEDSA-N 0 0 300.789 4.709 50 0 DJAARN CCc1ccccc1NC(=O)Nc1ccc(Br)cc1 ZINC000051356000 563692051 /nfs/dbraw/zinc/69/20/51/563692051.db2.gz GDOMVNBNPBBUSW-UHFFFAOYSA-N 0 0 319.202 4.656 50 0 DJAARN Cc1nc(NC(=O)C2CCCCC2)sc1-c1ccccc1 ZINC000048262678 563694312 /nfs/dbraw/zinc/69/43/12/563694312.db2.gz MZTJGIZVQNUREK-UHFFFAOYSA-N 0 0 300.427 4.637 50 0 DJAARN O=C(c1cc2ccccc2o1)N1CCCCC[C@@H]1c1ccncc1 ZINC000049764682 563702525 /nfs/dbraw/zinc/70/25/25/563702525.db2.gz GPCVJWPAWGBNSM-QGZVFWFLSA-N 0 0 320.392 4.585 50 0 DJAARN CC(C)OC(=O)c1c(N)scc1-c1ccc2ccccc2c1 ZINC000002754847 563705419 /nfs/dbraw/zinc/70/54/19/563705419.db2.gz UBYQJCRKQCQQGO-UHFFFAOYSA-N 0 0 311.406 4.716 50 0 DJAARN CC[C@@H](c1ccccn1)N(C)Cc1cnc(C2CCCCC2)nc1 ZINC000215538925 563706469 /nfs/dbraw/zinc/70/64/69/563706469.db2.gz MRFPTOCWVRHKQV-IBGZPJMESA-N 0 0 324.472 4.502 50 0 DJAARN O=c1oc2ccccc2cc1-c1csc(-c2ccccc2F)n1 ZINC000012321768 563713080 /nfs/dbraw/zinc/71/30/80/563713080.db2.gz DSMVYXDSZPSBCK-UHFFFAOYSA-N 0 0 323.348 4.723 50 0 DJAARN CC(C)Sc1cccc(Cl)c1CNc1nnc(C2CC2)o1 ZINC000225516238 563758254 /nfs/dbraw/zinc/75/82/54/563758254.db2.gz QZLRUINGZRUWAO-UHFFFAOYSA-N 0 0 323.849 4.713 50 0 DJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccs1 ZINC000029797115 563759099 /nfs/dbraw/zinc/75/90/99/563759099.db2.gz SVMPRBOSVODXTQ-KRWDZBQOSA-N 0 0 324.449 4.526 50 0 DJAARN C[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000013466846 563773520 /nfs/dbraw/zinc/77/35/20/563773520.db2.gz QLPXACPMYLBLST-MCJRFYRHSA-N 0 0 316.485 4.515 50 0 DJAARN Cc1ccccc1Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000000947590 563784619 /nfs/dbraw/zinc/78/46/19/563784619.db2.gz CBHPRXCFLHHRCM-UHFFFAOYSA-N 0 0 312.376 4.744 50 0 DJAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253614817 563784985 /nfs/dbraw/zinc/78/49/85/563784985.db2.gz DYVGYXXLXQESJE-ZUUHSQHKSA-N 0 0 318.501 4.595 50 0 DJAARN Cc1nc2ccccn2c1-c1csc(Nc2ccccc2C)n1 ZINC000001025790 563787360 /nfs/dbraw/zinc/78/73/60/563787360.db2.gz IUUSNIAABBXVHL-UHFFFAOYSA-N 0 0 320.421 4.818 50 0 DJAARN CCCOC(Cn1c2ccccc2c2ccccc21)OCCC ZINC000001867343 563797021 /nfs/dbraw/zinc/79/70/21/563797021.db2.gz JZGGSLOTJQHLMO-UHFFFAOYSA-N 0 0 311.425 4.974 50 0 DJAARN Cc1ccc(-c2csc3ncn(C4CCCCC4)c(=O)c23)cc1 ZINC000001987114 563797790 /nfs/dbraw/zinc/79/77/90/563797790.db2.gz BZWIDSYPFNFFCK-UHFFFAOYSA-N 0 0 324.449 4.939 50 0 DJAARN CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1 ZINC000002102879 563798578 /nfs/dbraw/zinc/79/85/78/563798578.db2.gz SJMQFBRHOSPLFW-LJQANCHMSA-N 0 0 311.425 4.665 50 0 DJAARN COc1cc(OC)cc(Oc2ccnc3cc(Cl)ccc32)c1 ZINC000012553477 563801270 /nfs/dbraw/zinc/80/12/70/563801270.db2.gz FXOJUTWEEWLUAS-UHFFFAOYSA-N 0 0 315.756 4.698 50 0 DJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000031874068 563807687 /nfs/dbraw/zinc/80/76/87/563807687.db2.gz YOPLAEHFBURWGO-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN C[C@H](c1ccccc1F)[S@](=O)Cc1ccc(Cl)s1 ZINC000078556139 563808608 /nfs/dbraw/zinc/80/86/08/563808608.db2.gz UBVYZQFRQAOGFT-LZVRBXCZSA-N 0 0 302.823 4.551 50 0 DJAARN Cc1ccc([C@@H]2SC(=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000001278349 563810674 /nfs/dbraw/zinc/81/06/74/563810674.db2.gz ZDYIFDRXCQNIBH-KRWDZBQOSA-N 0 0 307.374 4.675 50 0 DJAARN O=C1CCCc2ccccc2N1Cc1c(Cl)cccc1Cl ZINC000001386976 563814972 /nfs/dbraw/zinc/81/49/72/563814972.db2.gz CQZWPQHLFAJMMW-UHFFFAOYSA-N 0 0 320.219 4.863 50 0 DJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000001393169 563817543 /nfs/dbraw/zinc/81/75/43/563817543.db2.gz YXXWUHBUEMYPQM-UHFFFAOYSA-N 0 0 314.816 4.583 50 0 DJAARN Cc1ccc(-c2cnc3c(-c4ccc(F)cc4)cnn3c2)cc1 ZINC000001399471 563817938 /nfs/dbraw/zinc/81/79/38/563817938.db2.gz GEFIRRDIXWIWHF-UHFFFAOYSA-N 0 0 303.340 4.511 50 0 DJAARN CSc1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000001397971 563818023 /nfs/dbraw/zinc/81/80/23/563818023.db2.gz QLDQLJJZOPMYQM-UHFFFAOYSA-N 0 0 302.786 4.779 50 0 DJAARN CSc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000001397868 563818031 /nfs/dbraw/zinc/81/80/31/563818031.db2.gz IISUIBFUGHJUBG-UHFFFAOYSA-N 0 0 302.786 4.779 50 0 DJAARN COc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000001402088 563818827 /nfs/dbraw/zinc/81/88/27/563818827.db2.gz IKOBBLSTWMAKMH-UHFFFAOYSA-N 0 0 312.756 4.598 50 0 DJAARN Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000001415019 563821063 /nfs/dbraw/zinc/82/10/63/563821063.db2.gz YYGBQPKVPOGMJC-UHFFFAOYSA-N 0 0 309.394 4.763 50 0 DJAARN C[C@@H]1CC=C2C(=C(Nc3ccccc3)C(=O)N2c2ccccc2)C1 ZINC000001424273 563823099 /nfs/dbraw/zinc/82/30/99/563823099.db2.gz WIIKYXITLWXOII-OAHLLOKOSA-N 0 0 316.404 4.713 50 0 DJAARN Cc1cccc(NC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000012754324 563824888 /nfs/dbraw/zinc/82/48/88/563824888.db2.gz AJCSHYPJHCXDAB-GOSISDBHSA-N 0 0 322.433 4.968 50 0 DJAARN Clc1ccc([C@H](NCc2cscn2)c2ccsc2)cc1 ZINC000067253615 563824999 /nfs/dbraw/zinc/82/49/99/563824999.db2.gz UOYMAYQNBOJVNS-HNNXBMFYSA-N 0 0 320.870 4.737 50 0 DJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000012755035 563825017 /nfs/dbraw/zinc/82/50/17/563825017.db2.gz BXPCYQKDSXDYJV-AWEZNQCLSA-N 0 0 317.816 4.671 50 0 DJAARN Cc1ccc2c(CC(=O)N(C3CC3)C3CCCC3)coc2c1C ZINC000084209947 563825812 /nfs/dbraw/zinc/82/58/12/563825812.db2.gz VGESFQOKIRPYRX-UHFFFAOYSA-N 0 0 311.425 4.526 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000012762166 563826374 /nfs/dbraw/zinc/82/63/74/563826374.db2.gz HEEJZMIDCPGTTI-HNNXBMFYSA-N 0 0 316.404 4.548 50 0 DJAARN O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1C[C@@H]1c1ccco1 ZINC000084562582 563827570 /nfs/dbraw/zinc/82/75/70/563827570.db2.gz AKDMNVDNBAXWFS-ROUUACIJSA-N 0 0 304.345 4.656 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1 ZINC000012775610 563829068 /nfs/dbraw/zinc/82/90/68/563829068.db2.gz KMJOSDLRXAADAS-UHFFFAOYSA-N 0 0 302.377 4.618 50 0 DJAARN C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000084697682 563829744 /nfs/dbraw/zinc/82/97/44/563829744.db2.gz YLQYOYKRKRZLFP-ZDUSSCGKSA-N 0 0 317.429 4.816 50 0 DJAARN CC(C)N(Cc1ccccc1)C(=O)CCc1c[nH]c2ccccc12 ZINC000012807543 563834974 /nfs/dbraw/zinc/83/49/74/563834974.db2.gz QAIIOSKTAGZIQL-UHFFFAOYSA-N 0 0 320.436 4.538 50 0 DJAARN CC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1 ZINC000011907408 563836448 /nfs/dbraw/zinc/83/64/48/563836448.db2.gz QWXLVNJVEVYHBJ-KRWDZBQOSA-N 0 0 322.433 4.744 50 0 DJAARN CC[C@@H]1CCCCN1C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000001480327 563839192 /nfs/dbraw/zinc/83/91/92/563839192.db2.gz SCMAIBKNVRPOJJ-BZYZDCJZSA-N 0 0 312.240 4.798 50 0 DJAARN O=C(Nc1cc(Cl)ccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000012820840 563839953 /nfs/dbraw/zinc/83/99/53/563839953.db2.gz APRKWLWSCIDYQA-UHFFFAOYSA-N 0 0 307.796 4.634 50 0 DJAARN CC[C@H](C)[C@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000012820947 563840146 /nfs/dbraw/zinc/84/01/46/563840146.db2.gz QAFHJDDQIBEPEL-NHYWBVRUSA-N 0 0 321.342 4.872 50 0 DJAARN Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000001500837 563841408 /nfs/dbraw/zinc/84/14/08/563841408.db2.gz JCKDWXSHGIYFDO-ACCUITESSA-N 0 0 303.361 4.907 50 0 DJAARN c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000002173736 563843137 /nfs/dbraw/zinc/84/31/37/563843137.db2.gz CBVOGOGDYCLRLU-UHFFFAOYSA-N 0 0 300.405 4.712 50 0 DJAARN Cc1ccc(C(C)C)cc1NC(=O)COc1ccccc1Cl ZINC000000398847 563846258 /nfs/dbraw/zinc/84/62/58/563846258.db2.gz NPRVUSHKDIUDMV-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN Cc1cc2c(cc1C1(C)OCCO1)C(C)(C)C[C@H](C)C2(C)C ZINC000003122384 563847223 /nfs/dbraw/zinc/84/72/23/563847223.db2.gz LKLZCRMFMRABGI-AWEZNQCLSA-N 0 0 302.458 4.810 50 0 DJAARN O=C(Nc1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000054963838 563848027 /nfs/dbraw/zinc/84/80/27/563848027.db2.gz SYDUSBDEWSTEOP-UHFFFAOYSA-N 0 0 302.377 4.925 50 0 DJAARN C[C@](Cc1ccccc1)(c1ccccc1)[C@H](O)c1ccccc1 ZINC000045072302 563848141 /nfs/dbraw/zinc/84/81/41/563848141.db2.gz BRDJLCHWWQMTNP-YADHBBJMSA-N 0 0 302.417 4.921 50 0 DJAARN c1c2c(cc3c1OC1(CCCCC1)O3)OC1(CCCCC1)O2 ZINC000043199246 563848152 /nfs/dbraw/zinc/84/81/52/563848152.db2.gz IMYVNYKWPPXMOO-UHFFFAOYSA-N 0 0 302.370 4.550 50 0 DJAARN COC(=O)[C@@]1([Si](C)(C)C)CC1(c1ccccc1)c1ccccc1 ZINC000169828990 563849351 /nfs/dbraw/zinc/84/93/51/563849351.db2.gz GBDUOLOSXSHAOW-FQEVSTJZSA-N 0 0 324.496 4.628 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1F ZINC000012871772 563849656 /nfs/dbraw/zinc/84/96/56/563849656.db2.gz DLSSLKHQXPTYMO-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN O=C(Nc1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000012917469 563853874 /nfs/dbraw/zinc/85/38/74/563853874.db2.gz RTDZPNBYRXIXFX-KRWDZBQOSA-N 0 0 308.406 4.659 50 0 DJAARN C[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1F ZINC000075109294 563860025 /nfs/dbraw/zinc/86/00/25/563860025.db2.gz NJKLTPXVMFEMBV-KXBFYZLASA-N 0 0 311.400 4.511 50 0 DJAARN CC1(C)COC(c2sc3cccc(Cl)c3c2Cl)=N1 ZINC000075249833 563861745 /nfs/dbraw/zinc/86/17/45/563861745.db2.gz ZXYADYYISJJIRF-UHFFFAOYSA-N 0 0 300.210 4.764 50 0 DJAARN Oc1ccc(Oc2nc(Cl)c(C(F)(F)F)cc2Cl)cc1 ZINC000075260584 563862208 /nfs/dbraw/zinc/86/22/08/563862208.db2.gz GGVLWIQBBLTFJI-UHFFFAOYSA-N 0 0 324.085 4.905 50 0 DJAARN CCCCCNc1cc(C)nc2c(C)c(-c3ccccc3)nn21 ZINC000075330761 563863516 /nfs/dbraw/zinc/86/35/16/563863516.db2.gz RZGVKCLMOONHJI-UHFFFAOYSA-N 0 0 308.429 4.615 50 0 DJAARN O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Cl)s1 ZINC000575609849 563865603 /nfs/dbraw/zinc/86/56/03/563865603.db2.gz IEIBGDAQUUQYNV-UHFFFAOYSA-N 0 0 323.826 4.653 50 0 DJAARN O=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2s1 ZINC000575611823 563866239 /nfs/dbraw/zinc/86/62/39/563866239.db2.gz XTZALZXZYKLZJA-UHFFFAOYSA-N 0 0 323.373 4.684 50 0 DJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)CCC1CCCCC1 ZINC000006253709 563866583 /nfs/dbraw/zinc/86/65/83/563866583.db2.gz MPOJRUCQJMMJNJ-AWEZNQCLSA-N 0 0 303.421 4.854 50 0 DJAARN Cc1ccc(C)c(N(C)C(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000123081054 563873087 /nfs/dbraw/zinc/87/30/87/563873087.db2.gz RTVXJEVMDBBRRX-UHFFFAOYSA-N 0 0 316.404 4.642 50 0 DJAARN C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1cc2ccccc2o1 ZINC000013006818 563875583 /nfs/dbraw/zinc/87/55/83/563875583.db2.gz SPBNKMAOUPVZEP-SNVBAGLBSA-N 0 0 317.747 4.716 50 0 DJAARN CC(=O)Nc1sc(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000027988648 563878511 /nfs/dbraw/zinc/87/85/11/563878511.db2.gz NLZPPQCAYOSRMF-UHFFFAOYSA-N 0 0 308.406 4.744 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@@H]2CCC=CCC[C@@H]21 ZINC000239308882 563879930 /nfs/dbraw/zinc/87/99/30/563879930.db2.gz HBJYPLARGWZWHA-FICVDOATSA-N 0 0 309.331 4.636 50 0 DJAARN CC(C)=CCOc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 ZINC000000307664 563886891 /nfs/dbraw/zinc/88/68/91/563886891.db2.gz GJSDRJWQZQBJLG-UHFFFAOYSA-N 0 0 302.370 4.651 50 0 biogenic DJAARN COc1ccc2cc(/C=C/C(=O)N(C)C3CCCCC3)ccc2c1 ZINC000026956182 563888266 /nfs/dbraw/zinc/88/82/66/563888266.db2.gz WUDABNVQHAQHRZ-UKTHLTGXSA-N 0 0 323.436 4.653 50 0 DJAARN C[C@H](SC1=N[C@@H](C)CS1)c1ccc(OC(F)F)cc1 ZINC000089523429 563889316 /nfs/dbraw/zinc/88/93/16/563889316.db2.gz NXDIYTKYIHESHN-IUCAKERBSA-N 0 0 303.399 4.574 50 0 DJAARN CCOc1ccc(CN(C)C(=O)c2cccc3ccccc32)cc1 ZINC000036147335 563894236 /nfs/dbraw/zinc/89/42/36/563894236.db2.gz FCNCPWNAWFLBCX-UHFFFAOYSA-N 0 0 319.404 4.511 50 0 DJAARN COc1ccc(Cl)cc1-c1noc(/C=C/c2ccccc2)n1 ZINC000006728591 563894394 /nfs/dbraw/zinc/89/43/94/563894394.db2.gz HYWDOOUDEPUGLR-JXMROGBWSA-N 0 0 312.756 4.569 50 0 DJAARN Cc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c(C)c1 ZINC000064968265 563895575 /nfs/dbraw/zinc/89/55/75/563895575.db2.gz RDHDQVIQEVEOMT-UHFFFAOYSA-N 0 0 308.381 4.820 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2cccc(C)c2C)c2ccccc2O1 ZINC000006843889 563896724 /nfs/dbraw/zinc/89/67/24/563896724.db2.gz UXDADNWPWAVQPK-OAHLLOKOSA-N 0 0 310.397 4.513 50 0 DJAARN C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2S1 ZINC000006876893 563897938 /nfs/dbraw/zinc/89/79/38/563897938.db2.gz ZWIGWZXFKLHTNF-LLVKDONJSA-N 0 0 318.829 4.873 50 0 DJAARN CCc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1 ZINC000006876892 563897988 /nfs/dbraw/zinc/89/79/88/563897988.db2.gz IKZRHPOTDFTLIB-CYBMUJFWSA-N 0 0 312.438 4.782 50 0 DJAARN C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)c2ccccc2S1 ZINC000006876888 563897993 /nfs/dbraw/zinc/89/79/93/563897993.db2.gz VXSSIQUSFNDIFF-NSHDSACASA-N 0 0 318.829 4.873 50 0 DJAARN CCN(CC)C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 ZINC000006937265 563899953 /nfs/dbraw/zinc/89/99/53/563899953.db2.gz BJHZSRIDVOOKKQ-UHFFFAOYSA-N 0 0 318.420 4.692 50 0 DJAARN CCN(C(=O)c1ccc(C)cc1)c1nc2c(cccc2C)s1 ZINC000006945657 563900064 /nfs/dbraw/zinc/90/00/64/563900064.db2.gz ULTCUQRWFBPWAZ-UHFFFAOYSA-N 0 0 310.422 4.580 50 0 DJAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000007053117 563901795 /nfs/dbraw/zinc/90/17/95/563901795.db2.gz GZAVJGFPKCZIMD-AWEZNQCLSA-N 0 0 317.454 4.618 50 0 DJAARN O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)C1CCC1 ZINC000007062497 563902243 /nfs/dbraw/zinc/90/22/43/563902243.db2.gz VGSUVVYUKZCTIF-UHFFFAOYSA-N 0 0 309.390 4.669 50 0 DJAARN CCc1cccc(C)c1NC(=O)CSCc1cccc(F)c1 ZINC000007146049 563904023 /nfs/dbraw/zinc/90/40/23/563904023.db2.gz MDWIQIWTIFQVBD-UHFFFAOYSA-N 0 0 317.429 4.568 50 0 DJAARN Cc1csc(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)n1 ZINC000007180620 563904244 /nfs/dbraw/zinc/90/42/44/563904244.db2.gz SRCZTRSTORFOIY-LLVKDONJSA-N 0 0 317.439 4.663 50 0 DJAARN Cc1cccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000007264141 563904840 /nfs/dbraw/zinc/90/48/40/563904840.db2.gz VOPNHYLDRDCATN-MRXNPFEDSA-N 0 0 311.425 4.833 50 0 DJAARN O=C(C1CCCC1)N(c1nccs1)c1ccc(F)c(Cl)c1 ZINC000163911858 563905883 /nfs/dbraw/zinc/90/58/83/563905883.db2.gz GFQLWTOSMMMADV-UHFFFAOYSA-N 0 0 324.808 4.791 50 0 DJAARN COc1ccc2oc(C(=O)Nc3c(C)cccc3C)c(C)c2c1 ZINC000007406898 563906123 /nfs/dbraw/zinc/90/61/23/563906123.db2.gz GUVMPOPWRJKOQZ-UHFFFAOYSA-N 0 0 309.365 4.619 50 0 DJAARN CCCOc1ccc(Cl)cc1NC(=O)N(C)[C@H](C)CCC ZINC000170628505 563908869 /nfs/dbraw/zinc/90/88/69/563908869.db2.gz PGQBSXOKFGBJFL-GFCCVEGCSA-N 0 0 312.841 4.781 50 0 DJAARN O=C1CS[C@H](C2=Cc3ccccc3OC2)c2sccc2N1 ZINC000071283504 563909024 /nfs/dbraw/zinc/90/90/24/563909024.db2.gz JDIIPGGRLYNVAY-OAHLLOKOSA-N 0 0 315.419 4.600 50 0 DJAARN O=C1CS[C@@H](C2=Cc3ccccc3OC2)c2sccc2N1 ZINC000071283505 563909135 /nfs/dbraw/zinc/90/91/35/563909135.db2.gz JDIIPGGRLYNVAY-HNNXBMFYSA-N 0 0 315.419 4.600 50 0 DJAARN COc1ccc(SCC(=O)Nc2cccc3ccccc32)cc1 ZINC000010219224 563909354 /nfs/dbraw/zinc/90/93/54/563909354.db2.gz VHOKTSRHRNFZBK-UHFFFAOYSA-N 0 0 323.417 4.579 50 0 DJAARN CCC[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320412 563909455 /nfs/dbraw/zinc/90/94/55/563909455.db2.gz VBVCWHMZQDHZCK-QMMMGPOBSA-N 0 0 308.731 4.669 50 0 DJAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000013744606 563909872 /nfs/dbraw/zinc/90/98/72/563909872.db2.gz XFVMAVDBVDTYPU-QMMMGPOBSA-N 0 0 315.225 4.938 50 0 DJAARN CCCc1ccc([C@@H](C)NC(=S)Nc2cccc(C)c2)cc1 ZINC000013751245 563910040 /nfs/dbraw/zinc/91/00/40/563910040.db2.gz XSMOWPMRLVWXJC-OAHLLOKOSA-N 0 0 312.482 4.995 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc3ccccc3n2)c(Cl)c1 ZINC000014669439 563910886 /nfs/dbraw/zinc/91/08/86/563910886.db2.gz CGVCUSAIGGHMHY-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN Cc1ccc(-c2nc(COc3cnc(Cl)cc3C)co2)cc1 ZINC000089641208 563910953 /nfs/dbraw/zinc/91/09/53/563910953.db2.gz PDRZMFHIWNHLFT-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN O=C(CCNc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000002873655 563913035 /nfs/dbraw/zinc/91/30/35/563913035.db2.gz IPOWNHRNHUNSEQ-UHFFFAOYSA-N 0 0 312.171 4.817 50 0 DJAARN CCn1c2ccccc2c2cc(NC(=O)C3CCCC3)ccc21 ZINC000003016848 563913095 /nfs/dbraw/zinc/91/30/95/563913095.db2.gz SOLQYZFUYMOHGY-UHFFFAOYSA-N 0 0 306.409 4.943 50 0 DJAARN Cc1ccc2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2n1 ZINC000007388735 563913882 /nfs/dbraw/zinc/91/38/82/563913882.db2.gz GVGVYDCVFBGALZ-UHFFFAOYSA-N 0 0 320.392 4.583 50 0 DJAARN O=C(CSc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000003124836 563914083 /nfs/dbraw/zinc/91/40/83/563914083.db2.gz QDOHUROGULDTKW-UHFFFAOYSA-N 0 0 319.838 4.925 50 0 DJAARN Cc1ccc2cccc(OC(=O)Nc3ccccc3Cl)c2n1 ZINC000000395137 563915473 /nfs/dbraw/zinc/91/54/73/563915473.db2.gz YLUWUOHCXCHPTF-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CCC1 ZINC000007596256 563915539 /nfs/dbraw/zinc/91/55/39/563915539.db2.gz JTGORQQODXLTIL-UHFFFAOYSA-N 0 0 322.433 4.626 50 0 DJAARN CCOc1cc(O)c(-c2n[nH]c(C)c2-c2ccccc2)cc1CC ZINC000001003583 563915590 /nfs/dbraw/zinc/91/55/90/563915590.db2.gz ZCLUSVCYQLNEHK-UHFFFAOYSA-N 0 0 322.408 4.719 50 0 DJAARN O=C(Nc1ccc(Cl)c2ncsc21)c1cccc(Cl)c1 ZINC000007598768 563915634 /nfs/dbraw/zinc/91/56/34/563915634.db2.gz IZGFEVNJVDTVDP-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN COc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1OC ZINC000170644315 563916544 /nfs/dbraw/zinc/91/65/44/563916544.db2.gz HAYGIVKCQMTDIA-ZDUSSCGKSA-N 0 0 324.380 4.532 50 0 DJAARN O=C(Nc1cccc2cnccc21)c1cccc(C(F)(F)F)c1 ZINC000007655234 563917739 /nfs/dbraw/zinc/91/77/39/563917739.db2.gz JBPOVVCZNHFFLG-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN CCCCCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000007670654 563917916 /nfs/dbraw/zinc/91/79/16/563917916.db2.gz NFCDSOVWMLIWNL-UHFFFAOYSA-N 0 0 318.442 4.646 50 0 DJAARN Cc1cccc2sc(NC(=O)C(C)(C)c3ccccc3)nc21 ZINC000007725188 563918276 /nfs/dbraw/zinc/91/82/76/563918276.db2.gz NSYXHVLOLJOMDT-UHFFFAOYSA-N 0 0 310.422 4.521 50 0 DJAARN C/C=C/Cn1c(C(=O)N[C@@H](C)c2ccccc2)cc2sccc21 ZINC000037525373 563918326 /nfs/dbraw/zinc/91/83/26/563918326.db2.gz ZYEOJQMEJSFKJO-XGACYXMMSA-N 0 0 324.449 4.770 50 0 DJAARN O=C(Cc1cccc(F)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000007765755 563918964 /nfs/dbraw/zinc/91/89/64/563918964.db2.gz GBVKADVDOOOTPX-UHFFFAOYSA-N 0 0 305.352 4.674 50 0 DJAARN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccs1 ZINC000007792713 563919538 /nfs/dbraw/zinc/91/95/38/563919538.db2.gz YLWCKXUSCMVRSY-HNNXBMFYSA-N 0 0 321.445 4.757 50 0 DJAARN Cc1cccc(NC(=O)c2csc(-c3cccs3)n2)c1C ZINC000007918168 563920659 /nfs/dbraw/zinc/92/06/59/563920659.db2.gz LEQNOMPIMQKZDL-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN CN(Cc1ccccc1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000044125167 563923941 /nfs/dbraw/zinc/92/39/41/563923941.db2.gz CQZXJFMCDRTKBS-OAQYLSRUSA-N 0 0 314.432 4.686 50 0 DJAARN COP(=O)(OC)[C@H](Nc1ccc(C)cc1C)c1ccccc1 ZINC000002300657 563925799 /nfs/dbraw/zinc/92/57/99/563925799.db2.gz FXWCPIRSXYKAKE-KRWDZBQOSA-N 0 0 319.341 4.900 50 0 DJAARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCO1 ZINC000253499464 563926635 /nfs/dbraw/zinc/92/66/35/563926635.db2.gz HKZWMSPWKAUXGZ-RQHBQNJESA-N 0 0 316.485 4.757 50 0 biogenic DJAARN CCCC(CCC)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000002433844 563928391 /nfs/dbraw/zinc/92/83/91/563928391.db2.gz SHOJKOAMMLTIDM-UHFFFAOYSA-N 0 0 320.864 4.696 50 0 DJAARN Cc1c2ccc(C)cc2oc1-c1c/c(=N\N)c2ccc(C)cc2o1 ZINC000012655940 563928768 /nfs/dbraw/zinc/92/87/68/563928768.db2.gz XYVIWAQGWFPBII-CJLVFECKSA-N 0 0 318.376 4.546 50 0 biogenic DJAARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@H]1CCC21OCCO1 ZINC000012655754 563928775 /nfs/dbraw/zinc/92/87/75/563928775.db2.gz LPIHDSBQLYQECR-YRYYUTHUSA-N 0 0 316.485 4.938 50 0 biogenic DJAARN Cc1cc(C)c(C[S@@](=O)[C@H](C)c2ccccc2F)c(C)c1 ZINC000095948881 563932139 /nfs/dbraw/zinc/93/21/39/563932139.db2.gz VAOJRHSGBASQNG-VFNWGFHPSA-N 0 0 304.430 4.761 50 0 DJAARN CCC[C@@H]([NH2+][C@@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095967623 563932913 /nfs/dbraw/zinc/93/29/13/563932913.db2.gz HKKOZOWBWMGYMS-SWLSCSKDSA-N 0 0 323.362 4.687 50 0 DJAARN CCc1nc([C@H](C)N[C@@H](C)c2ccc3ccccc3n2)cs1 ZINC000095967892 563933183 /nfs/dbraw/zinc/93/31/83/563933183.db2.gz KCGSWKWDJQYKFK-STQMWFEESA-N 0 0 311.454 4.666 50 0 DJAARN COc1ccc(Nc2nc(Cc3ccsc3)cs2)cc1F ZINC000096124514 563935647 /nfs/dbraw/zinc/93/56/47/563935647.db2.gz LVQILFMTEJVIBP-UHFFFAOYSA-N 0 0 320.414 4.687 50 0 DJAARN CC(C)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)no1 ZINC000096181207 563935773 /nfs/dbraw/zinc/93/57/73/563935773.db2.gz WYLPIXOCDXXGON-UHFFFAOYSA-N 0 0 322.364 4.843 50 0 DJAARN CCCCOc1ccc(CNC(=O)CCC2CCCCC2)cc1 ZINC000096346756 563936452 /nfs/dbraw/zinc/93/64/52/563936452.db2.gz PQXOTOMVHXOBFB-UHFFFAOYSA-N 0 0 317.473 4.842 50 0 DJAARN Cc1c(C)c2cc(-c3cc4ccccc4[nH]3)c(O)c(C)c2oc1=O ZINC000096343749 563936523 /nfs/dbraw/zinc/93/65/23/563936523.db2.gz VFGAZFDEURRZNK-UHFFFAOYSA-N 0 0 319.360 4.572 50 0 DJAARN Cc1ccc(C)c(NC(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC000097164741 563937789 /nfs/dbraw/zinc/93/77/89/563937789.db2.gz QMYSKQBLRQDTRN-UHFFFAOYSA-N 0 0 324.302 4.688 50 0 DJAARN Cc1ccc2nc(-c3cccnc3)c(Nc3ccccc3C)n2c1 ZINC000002468834 563938058 /nfs/dbraw/zinc/93/80/58/563938058.db2.gz CQPKTOKWENLWOC-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000002520620 563938440 /nfs/dbraw/zinc/93/84/40/563938440.db2.gz VWWDDZMAWWVOCE-UHFFFAOYSA-N 0 0 312.171 4.817 50 0 DJAARN Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1Cl ZINC000002619584 563939613 /nfs/dbraw/zinc/93/96/13/563939613.db2.gz GJEKTUYGQDRBOR-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN O=C(CCCOc1ccccc1)Nc1ccc2ccccc2c1 ZINC000002618643 563939618 /nfs/dbraw/zinc/93/96/18/563939618.db2.gz HODOSRRLBMWFBF-UHFFFAOYSA-N 0 0 305.377 4.638 50 0 DJAARN CC(C)(C)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000002627408 563939786 /nfs/dbraw/zinc/93/97/86/563939786.db2.gz MJXYPEYDMTWLJR-UHFFFAOYSA-N 0 0 310.422 4.846 50 0 DJAARN CC(C)(C)C1CCC(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000002642740 563940026 /nfs/dbraw/zinc/94/00/26/563940026.db2.gz KEDROSTUGVZTQS-UHFFFAOYSA-N 0 0 307.865 4.809 50 0 DJAARN CCC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000002661290 563940189 /nfs/dbraw/zinc/94/01/89/563940189.db2.gz ZZNVTTCLCSUAEF-HNNXBMFYSA-N 0 0 317.816 4.871 50 0 DJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1F ZINC000002763508 563940732 /nfs/dbraw/zinc/94/07/32/563940732.db2.gz WEURSKHFJVKJSX-CYBMUJFWSA-N 0 0 315.388 4.529 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000002928348 563941142 /nfs/dbraw/zinc/94/11/42/563941142.db2.gz QLSVKDGWZVOBNI-UHFFFAOYSA-N 0 0 324.811 4.620 50 0 DJAARN Cc1ccc(SC[C@@H](C)CNC(=O)Nc2ccccc2)cc1 ZINC000003008060 563941574 /nfs/dbraw/zinc/94/15/74/563941574.db2.gz ZYECZBCXEUJQHY-HNNXBMFYSA-N 0 0 314.454 4.545 50 0 DJAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC=CCC3)C2)C1(C)C ZINC000230212317 563942159 /nfs/dbraw/zinc/94/21/59/563942159.db2.gz NKRSUMHLEACYAP-MBOZVWFJSA-N 0 0 301.474 4.574 50 0 DJAARN CC(=O)Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1 ZINC000003111105 563942185 /nfs/dbraw/zinc/94/21/85/563942185.db2.gz IMBWBGYRRQPRAQ-UHFFFAOYSA-N 0 0 311.328 4.815 50 0 DJAARN COc1ccc2c(C)c(-c3cccc4ccccc43)c(=O)oc2c1 ZINC000003260615 563943347 /nfs/dbraw/zinc/94/33/47/563943347.db2.gz PPHXJKONSQAIRR-UHFFFAOYSA-N 0 0 316.356 4.930 50 0 DJAARN COc1ccccc1[C@H]1Nc2c(C)cc(C)cc2[C@H]2OCCC[C@@H]12 ZINC000030781197 563943728 /nfs/dbraw/zinc/94/37/28/563943728.db2.gz PRZODGQRYRLFPT-DQLDELGASA-N 0 0 323.436 4.947 50 0 DJAARN Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1F ZINC000058157584 563943996 /nfs/dbraw/zinc/94/39/96/563943996.db2.gz HHPXGGFIJAGBDH-UHFFFAOYSA-N 0 0 322.383 4.701 50 0 DJAARN O=C(CC1CCCCC1)NC(c1ccccc1)c1ccccc1 ZINC000003477455 563944065 /nfs/dbraw/zinc/94/40/65/563944065.db2.gz VSOLFGYEIFSMDS-UHFFFAOYSA-N 0 0 307.437 4.863 50 0 DJAARN COc1cccc(S[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000031817595 563945009 /nfs/dbraw/zinc/94/50/09/563945009.db2.gz BQGYFCOEPPUDLU-JTQLQIEISA-N 0 0 318.423 4.660 50 0 DJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cc(C)ccc1C ZINC000031871895 563945032 /nfs/dbraw/zinc/94/50/32/563945032.db2.gz RHKBHTMYMZNPJN-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 ZINC000032117094 563945384 /nfs/dbraw/zinc/94/53/84/563945384.db2.gz CVBHLGWVXZHIND-UHFFFAOYSA-N 0 0 321.207 4.584 50 0 DJAARN Cc1ccccc1CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000007989387 563946058 /nfs/dbraw/zinc/94/60/58/563946058.db2.gz SDBMHPASNUTMGS-UHFFFAOYSA-N 0 0 317.314 4.569 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(C)cc(C)c1 ZINC000007995911 563946183 /nfs/dbraw/zinc/94/61/83/563946183.db2.gz BNNIXWANXCRLRH-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(F)cc2)o1 ZINC000007997631 563946198 /nfs/dbraw/zinc/94/61/98/563946198.db2.gz YAVULTBLAWHFNZ-UHFFFAOYSA-N 0 0 315.731 4.991 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCC1 ZINC000008113100 563946547 /nfs/dbraw/zinc/94/65/47/563946547.db2.gz DTVXEYKLRSAFIK-UHFFFAOYSA-N 0 0 319.326 4.766 50 0 DJAARN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008095563 563946643 /nfs/dbraw/zinc/94/66/43/563946643.db2.gz LUCUBPCGBDGKJD-OLZOCXBDSA-N 0 0 317.816 4.739 50 0 DJAARN O=C(Nc1ccnn1C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000008133583 563946727 /nfs/dbraw/zinc/94/67/27/563946727.db2.gz DPRJPZZRAXEYTB-UHFFFAOYSA-N 0 0 318.808 4.686 50 0 DJAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)c1ccc(F)cc1 ZINC000008185514 563947201 /nfs/dbraw/zinc/94/72/01/563947201.db2.gz FAMMGMMJYMSDMF-JTQLQIEISA-N 0 0 318.348 4.868 50 0 DJAARN C[C@H](CC(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000008389860 563948193 /nfs/dbraw/zinc/94/81/93/563948193.db2.gz HUUQFIDPQRJCCJ-RHSMWYFYSA-N 0 0 311.450 4.534 50 0 DJAARN C[C@@H](CC(=O)N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000008389861 563948255 /nfs/dbraw/zinc/94/82/55/563948255.db2.gz HUUQFIDPQRJCCJ-YOEHRIQHSA-N 0 0 311.450 4.534 50 0 DJAARN Cc1ccc(CNC(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000008392515 563948458 /nfs/dbraw/zinc/94/84/58/563948458.db2.gz JLJHRFYECHCXIW-MRXNPFEDSA-N 0 0 318.420 4.709 50 0 DJAARN CCc1cc(C(=O)N[C@@H]2CCSc3ccccc32)sc1C ZINC000008390978 563948494 /nfs/dbraw/zinc/94/84/94/563948494.db2.gz YBMMZFGXRVSNHD-CQSZACIVSA-N 0 0 317.479 4.586 50 0 DJAARN CC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008580820 563949277 /nfs/dbraw/zinc/94/92/77/563949277.db2.gz VRRHHTISESGZFN-JFHUYLGKSA-N 0 0 312.453 4.644 50 0 DJAARN COc1ccc(-c2nnc(S[C@@H](C)c3ccccc3)o2)cc1 ZINC000008633473 563949606 /nfs/dbraw/zinc/94/96/06/563949606.db2.gz AEFHNMHSSNHXNG-LBPRGKRZSA-N 0 0 312.394 4.599 50 0 DJAARN Cc1cccc(C)c1NC(=S)N[C@@H](C)CCc1ccccc1 ZINC000008687734 563949858 /nfs/dbraw/zinc/94/98/58/563949858.db2.gz KOLGEUCXCXNGKF-INIZCTEOSA-N 0 0 312.482 4.611 50 0 DJAARN CCCC[C@@H](CC)CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000008764562 563950492 /nfs/dbraw/zinc/95/04/92/563950492.db2.gz WPLWUHFBGYEKLM-MRXNPFEDSA-N 0 0 314.473 4.823 50 0 biogenic DJAARN O=C(Cc1ccsc1)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000008922734 563951484 /nfs/dbraw/zinc/95/14/84/563951484.db2.gz POVXKRKQYLSPJW-UHFFFAOYSA-N 0 0 305.402 4.501 50 0 DJAARN C[C@@H]1CCC[C@@H](NC(=O)c2csc3c2CCCCC3)[C@H]1C ZINC000245258171 563952314 /nfs/dbraw/zinc/95/23/14/563952314.db2.gz MIFJKEPQDQFLPH-DVOMOZLQSA-N 0 0 305.487 4.572 50 0 DJAARN COc1ccc(Nc2ccc(NC(=O)c3occc3C)cc2)cc1 ZINC000009157477 563953742 /nfs/dbraw/zinc/95/37/42/563953742.db2.gz MMCKQUKQTRADSO-UHFFFAOYSA-N 0 0 322.364 4.593 50 0 DJAARN CC(C)c1noc([C@@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069777944 563954648 /nfs/dbraw/zinc/95/46/48/563954648.db2.gz PJHYLFLDDYVHLN-MLGOLLRUSA-N 0 0 317.408 4.524 50 0 DJAARN Cc1ccccc1C[S@@](=O)Cc1csc(C2CCCC2)n1 ZINC000069819446 563954733 /nfs/dbraw/zinc/95/47/33/563954733.db2.gz UGKVQXAXZWCVNV-NRFANRHFSA-N 0 0 319.495 4.558 50 0 DJAARN Cc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)n1 ZINC000009303289 563954825 /nfs/dbraw/zinc/95/48/25/563954825.db2.gz IGNNWJOXMQCTKH-SFHVURJKSA-N 0 0 319.433 4.807 50 0 DJAARN Cc1ccc(-c2cc(NC(=O)c3cccc(Cl)c3)on2)cc1 ZINC000009306415 563954936 /nfs/dbraw/zinc/95/49/36/563954936.db2.gz ZMAKKYATIIHZEM-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C=CC1(CCCCC1)O2 ZINC000009306134 563954995 /nfs/dbraw/zinc/95/49/95/563954995.db2.gz HUTCPADGZPAEPK-UHFFFAOYSA-N 0 0 322.404 4.699 50 0 DJAARN CC(C)CC[C@@H](C)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000009337508 563955269 /nfs/dbraw/zinc/95/52/69/563955269.db2.gz YEJVXOXBOIVCGX-CYBMUJFWSA-N 0 0 323.527 4.720 50 0 DJAARN Cc1ccc2[nH]c(-c3nnc(Cc4ccccc4)s3)cc2c1 ZINC000009355451 563955337 /nfs/dbraw/zinc/95/53/37/563955337.db2.gz XDVFENADALYSFO-UHFFFAOYSA-N 0 0 305.406 4.586 50 0 DJAARN C[C@H]1CCC[C@]2(CCc3cc4c5c(c(=O)oc4cc3O2)CCC5)C1 ZINC000009341403 563955429 /nfs/dbraw/zinc/95/54/29/563955429.db2.gz ODZKOGJLVWIJHF-ZSEKCTLFSA-N 0 0 324.420 4.556 50 0 DJAARN C[C@@H]1CCC[C@]2(CCc3cc4c5c(c(=O)oc4cc3O2)CCC5)C1 ZINC000009341402 563955465 /nfs/dbraw/zinc/95/54/65/563955465.db2.gz ODZKOGJLVWIJHF-ASSNKEHSSA-N 0 0 324.420 4.556 50 0 DJAARN O=C(Nc1ccc2scnc2c1)c1ccc2ccccc2c1 ZINC000009472082 563956224 /nfs/dbraw/zinc/95/62/24/563956224.db2.gz MRESIJOTGLTYDG-UHFFFAOYSA-N 0 0 304.374 4.702 50 0 DJAARN CCCOc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000009458802 563956225 /nfs/dbraw/zinc/95/62/25/563956225.db2.gz OKZSIDVDRCEJIJ-UHFFFAOYSA-N 0 0 323.314 4.747 50 0 DJAARN Cc1cc(-c2csc(NC(=O)c3ccoc3C)n2)c(C)s1 ZINC000009495108 563956325 /nfs/dbraw/zinc/95/63/25/563956325.db2.gz ANSZSPPYUCMWFM-UHFFFAOYSA-N 0 0 318.423 4.642 50 0 DJAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000009527353 563956657 /nfs/dbraw/zinc/95/66/57/563956657.db2.gz BIYADSWOUHTMJN-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1ccc2nc3sc(C(=O)N4CCCC[C@H]4C)cc3cc2c1 ZINC000009528657 563956720 /nfs/dbraw/zinc/95/67/20/563956720.db2.gz XXMJHKPVTHZMLR-CYBMUJFWSA-N 0 0 324.449 4.773 50 0 DJAARN Cc1ccc2nc3sc(C(=O)N4CCC[C@@H](C)C4)cc3cc2c1 ZINC000009528662 563956784 /nfs/dbraw/zinc/95/67/84/563956784.db2.gz BGXHEJRUHUICQF-CYBMUJFWSA-N 0 0 324.449 4.630 50 0 DJAARN CC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1 ZINC000009659952 563957390 /nfs/dbraw/zinc/95/73/90/563957390.db2.gz JJINDTKYKDVDJI-UHFFFAOYSA-N 0 0 321.376 4.542 50 0 DJAARN Cc1cc(O[C@H](C)c2nnc(-c3ccccc3)o2)ccc1Cl ZINC000009740280 563957555 /nfs/dbraw/zinc/95/75/55/563957555.db2.gz KAJHPXWPJIMTIZ-GFCCVEGCSA-N 0 0 314.772 4.838 50 0 DJAARN CSc1ccc([C@H]2SCC(=O)Nc3ccsc32)cc1 ZINC000071281142 563958033 /nfs/dbraw/zinc/95/80/33/563958033.db2.gz FMZACMQCGBPAFT-CYBMUJFWSA-N 0 0 307.465 4.894 50 0 DJAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)CCC(C)C ZINC000010021340 563958081 /nfs/dbraw/zinc/95/80/81/563958081.db2.gz NJCMNRIERGKRNN-NSHDSACASA-N 0 0 322.499 4.735 50 0 DJAARN O=C(Nc1cccc2[nH]ccc21)N1CCC[C@H]1c1cccs1 ZINC000071803379 563958803 /nfs/dbraw/zinc/95/88/03/563958803.db2.gz OPDOYNZGAJXLRF-HNNXBMFYSA-N 0 0 311.410 4.598 50 0 DJAARN CC[C@H](CC(=O)Nc1c(C)nn(C(C)C)c1C)c1ccccc1 ZINC000071799954 563958865 /nfs/dbraw/zinc/95/88/65/563958865.db2.gz AOOVVUKUIUMWKD-MRXNPFEDSA-N 0 0 313.445 4.603 50 0 DJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C)c1 ZINC000071844350 563959137 /nfs/dbraw/zinc/95/91/37/563959137.db2.gz KZVZUIVZNGTIJR-WOJBJXKFSA-N 0 0 307.437 4.793 50 0 DJAARN CN(C(=O)c1cccc(OCc2ccccc2)c1)C1CCCCC1 ZINC000010472868 563959503 /nfs/dbraw/zinc/95/95/03/563959503.db2.gz DPWBQEYUDNVABC-UHFFFAOYSA-N 0 0 323.436 4.670 50 0 DJAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1cccs1 ZINC000018044780 563960087 /nfs/dbraw/zinc/96/00/87/563960087.db2.gz PGTPHQRORMBIGV-UHFFFAOYSA-N 0 0 310.403 4.763 50 0 DJAARN Cc1cc(/C=C2/OC(=O)c3ccccc32)cc(C(C)(C)C)c1O ZINC000001564149 568412200 /nfs/dbraw/zinc/41/22/00/568412200.db2.gz XUCQJSOPPDGVTA-GZTJUZNOSA-N 0 0 308.377 4.667 50 0 DJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(C)C)cc1 ZINC000013616475 568412493 /nfs/dbraw/zinc/41/24/93/568412493.db2.gz YGDLCDCEUBOTLT-ICSRJNTNSA-N 0 0 306.409 4.521 50 0 DJAARN C[C@H]1CCCC[C@@]12CCc1cc3c4c(c(=O)oc3cc1O2)CCC4 ZINC000013626167 568412510 /nfs/dbraw/zinc/41/25/10/568412510.db2.gz MTJGUXJEQOBLTE-YEJXKQKISA-N 0 0 324.420 4.556 50 0 DJAARN CCCCOc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1 ZINC000012410793 568412788 /nfs/dbraw/zinc/41/27/88/568412788.db2.gz ICWYDSZBTJTHLU-UHFFFAOYSA-N 0 0 319.408 4.572 50 0 DJAARN Oc1ccc(-c2csc(-c3cccc(Cl)c3)n2)c(O)c1 ZINC000025666920 568412838 /nfs/dbraw/zinc/41/28/38/568412838.db2.gz YNDBJEUDDMADLB-UHFFFAOYSA-N 0 0 303.770 4.542 50 0 DJAARN O=C(Nc1ccc2ccccc2c1)c1nc2ccccc2s1 ZINC000000479757 568414151 /nfs/dbraw/zinc/41/41/51/568414151.db2.gz OBWRSROOUXDGKG-UHFFFAOYSA-N 0 0 304.374 4.702 50 0 DJAARN Fc1ccccc1-c1nc2ccccc2c(N2CCCCCC2)n1 ZINC000000520385 568414626 /nfs/dbraw/zinc/41/46/26/568414626.db2.gz JPEVYJBKFDTUPM-UHFFFAOYSA-N 0 0 321.399 4.816 50 0 DJAARN Cc1ccccc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000211078528 568415276 /nfs/dbraw/zinc/41/52/76/568415276.db2.gz QIZCURXHSBNRKH-QGZVFWFLSA-N 0 0 311.400 4.544 50 0 DJAARN CCN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1C ZINC000000271663 568421544 /nfs/dbraw/zinc/42/15/44/568421544.db2.gz FLJCIOPUVWBENL-UHFFFAOYSA-N 0 0 308.208 4.969 50 0 DJAARN CN(C(=O)Oc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000000197443 568421549 /nfs/dbraw/zinc/42/15/49/568421549.db2.gz MCPSAWKMMXHAAK-UHFFFAOYSA-N 0 0 312.756 4.523 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000091551 568421632 /nfs/dbraw/zinc/42/16/32/568421632.db2.gz DGFHQFZPMKCRIS-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN CCc1ccccc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000096600615 185384268 /nfs/dbraw/zinc/38/42/68/185384268.db2.gz UNYDFEQZEDTOFE-QXMHVHEDSA-N 0 0 308.406 4.511 50 0 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313.363 4.648 50 0 DJAARN CCC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000095458902 185370546 /nfs/dbraw/zinc/37/05/46/185370546.db2.gz KNUNPKHXOAALJS-HIFRSBDPSA-N 0 0 313.363 4.648 50 0 DJAARN CSc1ccc([C@@H](C)N[C@@H](C)c2nc(C)cs2)cc1F ZINC000097016769 185397537 /nfs/dbraw/zinc/39/75/37/185397537.db2.gz FHHNUGDBDYYKOR-MNOVXSKESA-N 0 0 310.463 4.724 50 0 DJAARN FC(F)Oc1ccccc1CSc1ncnc2ccsc21 ZINC000097024216 185398873 /nfs/dbraw/zinc/39/88/73/185398873.db2.gz BSAMOOZEGMAMMS-UHFFFAOYSA-N 0 0 324.377 4.585 50 0 DJAARN CCN(CC)C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000027024590 190653704 /nfs/dbraw/zinc/65/37/04/190653704.db2.gz MGXMSELTUCXKPJ-UHFFFAOYSA-N 0 0 302.226 4.690 50 0 DJAARN CC1(C)CC(=O)C2C(=Nc3cccnc3N[C@@H]2c2ccco2)C1 ZINC000102758416 185420494 /nfs/dbraw/zinc/42/04/94/185420494.db2.gz YOOVNBHQVSYBHJ-MRXNPFEDSA-N 0 0 309.369 4.546 50 0 DJAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3)ccc2c1 ZINC000068755520 190781378 /nfs/dbraw/zinc/78/13/78/190781378.db2.gz BUDHFUSUYOOXTN-CQSZACIVSA-N 0 0 305.377 4.591 50 0 DJAARN CC[C@@H](CCSc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000080344776 192150463 /nfs/dbraw/zinc/15/04/63/192150463.db2.gz DPPAKNXIJOOMTE-KRWDZBQOSA-N 0 0 313.466 4.686 50 0 DJAARN O=C(COc1ccccc1)OC1CCC(C2CCCCC2)CC1 ZINC000071767214 191028864 /nfs/dbraw/zinc/02/88/64/191028864.db2.gz WANOIWMUWRZCHZ-UHFFFAOYSA-N 0 0 316.441 4.748 50 0 DJAARN COC(=O)CCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000071767487 191029095 /nfs/dbraw/zinc/02/90/95/191029095.db2.gz XPVMNNANEYVRCQ-UHFFFAOYSA-N 0 0 319.813 4.506 50 0 DJAARN C[C@@H](Oc1ccc(F)cc1Cl)c1nnc(-c2ccccc2)o1 ZINC000072271007 191094051 /nfs/dbraw/zinc/09/40/51/191094051.db2.gz JHTRAPYYSBSACD-SNVBAGLBSA-N 0 0 318.735 4.669 50 0 DJAARN Cc1noc([C@@H](C)SCc2ccc(Cl)c(Cl)c2)n1 ZINC000072272734 191095475 /nfs/dbraw/zinc/09/54/75/191095475.db2.gz AOFLWXLPWXVRHW-SSDOTTSWSA-N 0 0 303.214 4.679 50 0 DJAARN Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(NC(C)C)c1 ZINC000225581700 186279990 /nfs/dbraw/zinc/27/99/90/186279990.db2.gz CAQVNTIGUVVHQM-KRWDZBQOSA-N 0 0 324.468 4.519 50 0 DJAARN CC[C@](C)(NCc1ccc(Cl)c2cccnc12)C(F)(F)F ZINC000072308739 191119020 /nfs/dbraw/zinc/11/90/20/191119020.db2.gz VFBCSOVANYAJKV-AWEZNQCLSA-N 0 0 316.754 4.709 50 0 DJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000000038981 180674791 /nfs/dbraw/zinc/67/47/91/180674791.db2.gz RJZWNXSYFCYEJW-UHFFFAOYSA-N 0 0 309.390 4.579 50 0 DJAARN Cc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1C ZINC000000042852 180676160 /nfs/dbraw/zinc/67/61/60/180676160.db2.gz AAEFJKSTHQBIHF-OCCSQVGLSA-N 0 0 312.240 4.833 50 0 DJAARN CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000000048093 180677783 /nfs/dbraw/zinc/67/77/83/180677783.db2.gz LBONSMFXQUAJMM-UHFFFAOYSA-N 0 0 317.816 4.655 50 0 DJAARN COc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc32)cc1F ZINC000000095289 180690669 /nfs/dbraw/zinc/69/06/69/180690669.db2.gz PCCFCGUEHHGMPA-UHFFFAOYSA-N 0 0 324.307 4.662 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000000098227 180691774 /nfs/dbraw/zinc/69/17/74/180691774.db2.gz AQHSVBTWAHEDLI-UHFFFAOYSA-N 0 0 303.789 4.526 50 0 DJAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Sc2ccccc2N1 ZINC000000109822 180696399 /nfs/dbraw/zinc/69/63/99/180696399.db2.gz CCDWRGBDYHWSBR-AWEZNQCLSA-N 0 0 323.339 4.881 50 0 DJAARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2ccc3ccccc3c2N1 ZINC000000110023 180696529 /nfs/dbraw/zinc/69/65/29/180696529.db2.gz QDOVJKFSTIKGOV-HNNXBMFYSA-N 0 0 309.315 4.592 50 0 DJAARN CC[C@H](C)c1ccccc1NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000000114601 180697026 /nfs/dbraw/zinc/69/70/26/180697026.db2.gz UILSTIUDACDQNU-ZDUSSCGKSA-N 0 0 322.408 4.942 50 0 DJAARN Cc1cc(C(=O)Nc2ccccc2C)c(C)n1Cc1cccs1 ZINC000000113711 180697124 /nfs/dbraw/zinc/69/71/24/180697124.db2.gz OVMXLCGFFGHJIR-UHFFFAOYSA-N 0 0 324.449 4.775 50 0 DJAARN CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000117332 180698367 /nfs/dbraw/zinc/69/83/67/180698367.db2.gz JWMFEXXMVCFWLY-OAHLLOKOSA-N 0 0 318.420 4.820 50 0 DJAARN Cc1noc(-c2cccs2)c1NC(=O)Nc1ccc(C)cc1 ZINC000000120955 180699498 /nfs/dbraw/zinc/69/94/98/180699498.db2.gz BRJYWQCYJQHRCJ-UHFFFAOYSA-N 0 0 313.382 4.664 50 0 DJAARN FC(F)(F)C1=NN(c2ccccc2)C=C[C@@H]1c1ccccc1 ZINC000072481744 191181851 /nfs/dbraw/zinc/18/18/51/191181851.db2.gz QCRASQWHVCRLHE-OAHLLOKOSA-N 0 0 302.299 4.722 50 0 DJAARN Cc1cc(C)nc(SCn2c3ccccc3sc2=S)n1 ZINC000000157495 180711208 /nfs/dbraw/zinc/71/12/08/180711208.db2.gz USYBMPCKNTUCRW-UHFFFAOYSA-N 0 0 319.480 4.589 50 0 DJAARN Fc1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000000166730 180712742 /nfs/dbraw/zinc/71/27/42/180712742.db2.gz BCWISPJAZJSHOJ-UHFFFAOYSA-N 0 0 318.145 4.910 50 0 DJAARN O=C(CCC1CCCC1)Nc1cccc(Cc2ccncc2)c1 ZINC000000269620 180743970 /nfs/dbraw/zinc/74/39/70/180743970.db2.gz WDMKPXSGYSYMEH-UHFFFAOYSA-N 0 0 308.425 4.581 50 0 DJAARN COc1ccccc1NC(=O)c1ccccc1Nc1ccccc1 ZINC000000266421 180742350 /nfs/dbraw/zinc/74/23/50/180742350.db2.gz JLGZDTDSTCPHJA-UHFFFAOYSA-N 0 0 318.376 4.691 50 0 DJAARN Cc1cc(C)nc(Oc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000000266184 180742453 /nfs/dbraw/zinc/74/24/53/180742453.db2.gz DJXRAVJAZYAMPN-UHFFFAOYSA-N 0 0 303.576 4.846 50 0 DJAARN COc1ccc([C@@H]2CC(=O)c3c(ccc4ccccc43)N2)cc1 ZINC000000276234 180745434 /nfs/dbraw/zinc/74/54/34/180745434.db2.gz FWQWHKGLFNZQQI-SFHVURJKSA-N 0 0 303.361 4.588 50 0 DJAARN Cc1ccc2cccc(OC(=O)c3cccc4ccccc43)c2n1 ZINC000000281071 180746606 /nfs/dbraw/zinc/74/66/06/180746606.db2.gz NJDUUWLAHOBXJO-UHFFFAOYSA-N 0 0 313.356 4.916 50 0 DJAARN Cc1ccccc1-c1nc2cc(NC(=O)CC(C)C)ccc2o1 ZINC000000308698 180755143 /nfs/dbraw/zinc/75/51/43/180755143.db2.gz AEWGKASMFXBMNI-UHFFFAOYSA-N 0 0 308.381 4.788 50 0 DJAARN COc1ccc(OC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000000302399 180752262 /nfs/dbraw/zinc/75/22/62/180752262.db2.gz YSMOOSUEKBJLKO-VGOFMYFVSA-N 0 0 310.393 4.612 50 0 DJAARN Cc1ccc(-c2nnc([C@@H](C)N3CCCc4ccccc43)o2)cc1 ZINC000072710245 191219387 /nfs/dbraw/zinc/21/93/87/191219387.db2.gz ZQFVWCVIUDAJTP-OAHLLOKOSA-N 0 0 319.408 4.559 50 0 DJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1sc2ccccc2c1Cl ZINC000000375645 180770551 /nfs/dbraw/zinc/77/05/51/180770551.db2.gz AJXSXGNXXNXKQD-GHMZBOCLSA-N 0 0 307.846 4.958 50 0 DJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000357350 180765606 /nfs/dbraw/zinc/76/56/06/180765606.db2.gz ZQLBUJQGMJZHDD-NSHDSACASA-N 0 0 324.207 4.708 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000000363827 180766874 /nfs/dbraw/zinc/76/68/74/180766874.db2.gz ZHQHWYRRCLPFTA-UHFFFAOYSA-N 0 0 322.311 4.567 50 0 DJAARN O=C(NCC1CCCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000000409015 180778994 /nfs/dbraw/zinc/77/89/94/180778994.db2.gz DGSVHPRFTNCVNT-UHFFFAOYSA-N 0 0 301.217 4.695 50 0 DJAARN CCOc1ccccc1NC(=O)Nc1cccc2ccccc21 ZINC000000399591 180777515 /nfs/dbraw/zinc/77/75/15/180777515.db2.gz HTTBCRSROVQEOX-UHFFFAOYSA-N 0 0 306.365 4.883 50 0 DJAARN COc1ccc(-c2cccc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000000465409 180799150 /nfs/dbraw/zinc/79/91/50/180799150.db2.gz SHZTXOSVECDWHU-UHFFFAOYSA-N 0 0 317.388 4.923 50 0 DJAARN c1coc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)c1 ZINC000000450556 180795088 /nfs/dbraw/zinc/79/50/88/180795088.db2.gz ZIGDARZYOMZRNK-XLIONFOSSA-N 0 0 316.360 4.522 50 0 DJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000000450146 180795107 /nfs/dbraw/zinc/79/51/07/180795107.db2.gz DABCTMYGTMUISY-JXMROGBWSA-N 0 0 314.797 4.602 50 0 DJAARN CC(C)Oc1ccc([C@H](CC(=O)N2CCCCC2)C(C)C)cc1 ZINC000000488420 180806123 /nfs/dbraw/zinc/80/61/23/180806123.db2.gz WXLJHPWRAQERJU-LJQANCHMSA-N 0 0 317.473 4.616 50 0 biogenic DJAARN Cc1cccc(Oc2nc(-c3ccccn3)nc3ccccc32)c1 ZINC000000521142 180811879 /nfs/dbraw/zinc/81/18/79/180811879.db2.gz NNBPTCAWASUKMR-UHFFFAOYSA-N 0 0 313.360 4.793 50 0 DJAARN CC[C@H](C)n1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 ZINC000000542321 180817859 /nfs/dbraw/zinc/81/78/59/180817859.db2.gz HBHKHWQUPXBPSE-AWEZNQCLSA-N 0 0 316.408 4.926 50 0 DJAARN O=C(Nc1cccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000000556486 180821037 /nfs/dbraw/zinc/82/10/37/180821037.db2.gz IPKDMHXAJOUOMN-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN C[C@H]1CCc2nc(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000000567746 180823321 /nfs/dbraw/zinc/82/33/21/180823321.db2.gz ACOVUIQAKZIUBZ-LBPRGKRZSA-N 0 0 322.433 4.673 50 0 DJAARN CCOc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000000818020 180835197 /nfs/dbraw/zinc/83/51/97/180835197.db2.gz DMRDKSYXLVRDPR-FQEVSTJZSA-N 0 0 319.408 4.538 50 0 DJAARN Cc1ccc(C)c(NC(=O)CSc2cccc3cccnc32)c1 ZINC000000859014 180835636 /nfs/dbraw/zinc/83/56/36/180835636.db2.gz JZCWAOBHJSNZSV-UHFFFAOYSA-N 0 0 322.433 4.582 50 0 DJAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000000859305 180836122 /nfs/dbraw/zinc/83/61/22/180836122.db2.gz GYSRXOOQGROMHA-UHFFFAOYSA-N 0 0 316.404 4.692 50 0 DJAARN COc1ccc(CSc2nc3ccccc3s2)cc1F ZINC000000973488 180838581 /nfs/dbraw/zinc/83/85/81/180838581.db2.gz UIMNRKLTFCWNQY-UHFFFAOYSA-N 0 0 305.399 4.736 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001002186 180840674 /nfs/dbraw/zinc/84/06/74/180840674.db2.gz DWUQHUKPKZFRHS-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000001284186 180853285 /nfs/dbraw/zinc/85/32/85/180853285.db2.gz TWIBDKAITZMLKG-UHFFFAOYSA-N 0 0 303.789 4.724 50 0 DJAARN Cc1cc(C)cc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000001391299 180859632 /nfs/dbraw/zinc/85/96/32/180859632.db2.gz UJAZMMLEFKLEFB-UHFFFAOYSA-N 0 0 321.342 4.594 50 0 DJAARN CCC1CCC2(CC1)S[C@@H](C)C(=O)N2c1ccc(F)cc1 ZINC000001461272 180867800 /nfs/dbraw/zinc/86/78/00/180867800.db2.gz CEAYHPZKJRRVEG-POZPTJLLSA-N 0 0 307.434 4.591 50 0 DJAARN CC1(C)CCc2cc3c(cc2O1)oc(=O)cc3-c1ccccc1 ZINC000001617582 180879388 /nfs/dbraw/zinc/87/93/88/180879388.db2.gz NRLFLYIHMXGJML-UHFFFAOYSA-N 0 0 306.361 4.564 50 0 biogenic DJAARN Cc1ccccc1OCCCCSc1nc2ccccc2[nH]1 ZINC000001926975 180902540 /nfs/dbraw/zinc/90/25/40/180902540.db2.gz XAEWTGUQIOVGMP-UHFFFAOYSA-N 0 0 312.438 4.823 50 0 DJAARN Cc1cc(C)nc(SCCCCCCNc2ccccc2)n1 ZINC000002014192 180906348 /nfs/dbraw/zinc/90/63/48/180906348.db2.gz PXJXGJSPSWHDSF-UHFFFAOYSA-N 0 0 315.486 4.858 50 0 DJAARN Cc1ccccc1CSc1nnc2cc(C)c3ccccc3n21 ZINC000001924355 180902094 /nfs/dbraw/zinc/90/20/94/180902094.db2.gz FGRMGUAOQKIJAT-UHFFFAOYSA-N 0 0 319.433 4.792 50 0 DJAARN C[C@H]1CCCC[C@@H]1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002170992 180913406 /nfs/dbraw/zinc/91/34/06/180913406.db2.gz BGFQVRPQANKBJL-GWCFXTLKSA-N 0 0 301.308 4.833 50 0 DJAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CC[C@H](c1ccccc1)O3 ZINC000002129323 180911595 /nfs/dbraw/zinc/91/15/95/180911595.db2.gz LFGTWKSMTSGXJC-GOSISDBHSA-N 0 0 320.388 4.785 50 0 biogenic DJAARN CCCCN(CC)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000002458957 180925284 /nfs/dbraw/zinc/92/52/84/180925284.db2.gz CFBKNFRAZPGVFE-UHFFFAOYSA-N 0 0 309.409 4.573 50 0 DJAARN CC1CCC2(CC1)SCC(=O)N2c1ccc2ccccc2c1 ZINC000002492262 180926861 /nfs/dbraw/zinc/92/68/61/180926861.db2.gz HHCWOARXASFCMW-UHFFFAOYSA-N 0 0 311.450 4.826 50 0 DJAARN O=C(c1cn(Cc2ccccc2F)c2ccccc12)C(F)(F)F ZINC000002488061 180926895 /nfs/dbraw/zinc/92/68/95/180926895.db2.gz AJOAINSJZMEMFD-UHFFFAOYSA-N 0 0 321.273 4.574 50 0 DJAARN Clc1ccc(OCc2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000002488490 180927071 /nfs/dbraw/zinc/92/70/71/180927071.db2.gz DGYIPDJLVGEOBH-UHFFFAOYSA-N 0 0 308.768 4.949 50 0 DJAARN O=C(NCCCCc1ccccc1)C1(c2ccccc2)CCCC1 ZINC000002512674 180929269 /nfs/dbraw/zinc/92/92/69/180929269.db2.gz RHHNCHZKIMCZHX-UHFFFAOYSA-N 0 0 321.464 4.638 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000002630826 180940915 /nfs/dbraw/zinc/94/09/15/180940915.db2.gz YAZQNHDUVZHGDW-UHFFFAOYSA-N 0 0 322.311 4.567 50 0 DJAARN O=C(C(c1ccccc1)c1ccccc1)n1cnc2ccccc21 ZINC000002753462 180952356 /nfs/dbraw/zinc/95/23/56/180952356.db2.gz IDDHFMZTRMRQRN-UHFFFAOYSA-N 0 0 312.372 4.509 50 0 DJAARN CCCCC1CCC(C(=O)Oc2ccc(OCC)cc2)CC1 ZINC000002832251 180962272 /nfs/dbraw/zinc/96/22/72/180962272.db2.gz JAYBMJPZPJBTQZ-UHFFFAOYSA-N 0 0 304.430 4.987 50 0 DJAARN COc1ccccc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000002885358 180968035 /nfs/dbraw/zinc/96/80/35/180968035.db2.gz MPBCFTMSIDJIHK-UHFFFAOYSA-N 0 0 308.381 4.710 50 0 DJAARN COc1cccc(OCCCCOc2cc(C)ccc2C)c1 ZINC000002904541 180969091 /nfs/dbraw/zinc/96/90/91/180969091.db2.gz AQUGZOCSRJRBFO-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN COc1ccccc1OCCCOc1ccc(Cl)cc1C ZINC000002986926 180974690 /nfs/dbraw/zinc/97/46/90/180974690.db2.gz JSGJSYOPAHLZRR-UHFFFAOYSA-N 0 0 306.789 4.505 50 0 DJAARN CCCCc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000002986459 180974903 /nfs/dbraw/zinc/97/49/03/180974903.db2.gz JRIHBELWCJNNSN-UHFFFAOYSA-N 0 0 311.425 4.664 50 0 DJAARN CCCCOc1ccc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000003147927 180985718 /nfs/dbraw/zinc/98/57/18/180985718.db2.gz LTRAYGBXICOLID-RDJZCZTQSA-N 0 0 317.473 4.810 50 0 DJAARN COc1ccccc1/C=C/C(=O)Oc1cccc(Cl)c1Cl ZINC000003249061 180996400 /nfs/dbraw/zinc/99/64/00/180996400.db2.gz KGHWYFSALXJPST-MDZDMXLPSA-N 0 0 323.175 4.621 50 0 DJAARN Cc1ccc(NC(=O)[C@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000003327113 181006299 /nfs/dbraw/zinc/00/62/99/181006299.db2.gz AASLYBMLLLNNCD-HXUWFJFHSA-N 0 0 316.404 4.787 50 0 DJAARN COc1ccc(NC(=S)NCCCCCCC(C)C)cc1 ZINC000003283606 180999995 /nfs/dbraw/zinc/99/99/95/180999995.db2.gz XTNAFOWEVDQQEP-UHFFFAOYSA-N 0 0 308.491 4.588 50 0 DJAARN Clc1ccccc1CNc1ncnc2c3ccccc3oc21 ZINC000003284272 180999999 /nfs/dbraw/zinc/99/99/99/180999999.db2.gz LJTAERQHCOKCHQ-UHFFFAOYSA-N 0 0 309.756 4.642 50 0 DJAARN CC[C@H](C)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 ZINC000003282454 181000068 /nfs/dbraw/zinc/00/00/68/181000068.db2.gz MQCFPCRHGQECSY-HNNXBMFYSA-N 0 0 311.425 4.780 50 0 DJAARN Cc1ccc(C2=N/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)O2)cc1 ZINC000003283574 181000126 /nfs/dbraw/zinc/00/01/26/181000126.db2.gz MXSHTHTXZSRJSN-QGOAFFKASA-N 0 0 319.404 4.637 50 0 DJAARN O=C(/C=C/c1ccco1)Oc1ccc2oc3ccccc3c2c1 ZINC000003281534 181000490 /nfs/dbraw/zinc/00/04/90/181000490.db2.gz IKVAWKZQRZHSEP-CSKARUKUSA-N 0 0 304.301 4.798 50 0 DJAARN O=C(CCCSc1ccc(Cl)cc1)NC1CCCCC1 ZINC000003293723 181001670 /nfs/dbraw/zinc/00/16/70/181001670.db2.gz IXFKJLPXWZFLPT-UHFFFAOYSA-N 0 0 311.878 4.661 50 0 DJAARN Cc1ccccc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000003305093 181002415 /nfs/dbraw/zinc/00/24/15/181002415.db2.gz QBHWBXKFUZQFSI-LLVKDONJSA-N 0 0 323.223 4.741 50 0 DJAARN CC[C@H]1CCc2sc(C(=O)NC3CCCCCC3)cc2C1 ZINC000003330049 181006738 /nfs/dbraw/zinc/00/67/38/181006738.db2.gz CARBUQKFRFDEFK-ZDUSSCGKSA-N 0 0 305.487 4.716 50 0 DJAARN Cc1ccc(C)c(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000003332655 181007017 /nfs/dbraw/zinc/00/70/17/181007017.db2.gz QFNDWIWJHMZCRB-UHFFFAOYSA-N 0 0 308.208 4.540 50 0 DJAARN O=C(Cc1cccc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000003337828 181007518 /nfs/dbraw/zinc/00/75/18/181007518.db2.gz NIDDFRTXRHCTGC-NRFANRHFSA-N 0 0 315.416 4.576 50 0 DJAARN Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c(C)o1 ZINC000003340564 181008700 /nfs/dbraw/zinc/00/87/00/181008700.db2.gz ZLUHELJWPQROML-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN Clc1nc(-c2cccs2)nc2sc3c(c21)CCCC3 ZINC000003346451 181008924 /nfs/dbraw/zinc/00/89/24/181008924.db2.gz QPHQPWXSEMEKRL-UHFFFAOYSA-N 0 0 306.843 4.952 50 0 DJAARN C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 ZINC000003345885 181009182 /nfs/dbraw/zinc/00/91/82/181009182.db2.gz HZSCDPKGUHFYRR-SECBINFHSA-N 0 0 312.171 4.624 50 0 DJAARN Cc1noc(C)c1CSc1nc(C)nc2sc(C)c(C)c21 ZINC000003353445 181010689 /nfs/dbraw/zinc/01/06/89/181010689.db2.gz NCWLOEZPJCOMGA-UHFFFAOYSA-N 0 0 319.455 4.514 50 0 DJAARN CCc1ccc(Cl)c(CC)c1NC(=O)NC1CCCCC1 ZINC000003359295 181010985 /nfs/dbraw/zinc/01/09/85/181010985.db2.gz YJAYQKDUXNYAPD-UHFFFAOYSA-N 0 0 308.853 4.919 50 0 DJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)C2CCC2)cc1 ZINC000003359533 181011137 /nfs/dbraw/zinc/01/11/37/181011137.db2.gz ZQKRIABVLJCTAD-UHFFFAOYSA-N 0 0 308.425 4.972 50 0 DJAARN Cc1ccc(C)c(NC(=S)Nc2ccc(F)c(F)c2F)c1 ZINC000003357069 181011356 /nfs/dbraw/zinc/01/13/56/181011356.db2.gz ZXUMFCAUPVAMDN-UHFFFAOYSA-N 0 0 310.344 4.530 50 0 DJAARN CCc1cccc(C)c1NC(=O)CNc1cccc(Cl)c1C ZINC000003403009 181015651 /nfs/dbraw/zinc/01/56/51/181015651.db2.gz CGLHFAKFVFQJRG-UHFFFAOYSA-N 0 0 316.832 4.570 50 0 DJAARN Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000003403117 181015873 /nfs/dbraw/zinc/01/58/73/181015873.db2.gz SMMPEITXGUZUPK-UHFFFAOYSA-N 0 0 320.845 4.555 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000003445502 181021043 /nfs/dbraw/zinc/02/10/43/181021043.db2.gz OSOZNWMERGHEDP-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1C ZINC000003481958 181025155 /nfs/dbraw/zinc/02/51/55/181025155.db2.gz NMFXRSBFPIBQHP-CQSZACIVSA-N 0 0 317.816 4.671 50 0 DJAARN COc1ccc(CCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000003556459 181033959 /nfs/dbraw/zinc/03/39/59/181033959.db2.gz PSUCWUHCWRPNAQ-UHFFFAOYSA-N 0 0 317.816 4.537 50 0 DJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(F)c1 ZINC000003554070 181034096 /nfs/dbraw/zinc/03/40/96/181034096.db2.gz MEGDTOPKKMLPMB-UHFFFAOYSA-N 0 0 307.324 4.870 50 0 DJAARN COc1ccc2oc(C(=O)Nc3cccc(C)c3C)c(C)c2c1 ZINC000003561774 181035143 /nfs/dbraw/zinc/03/51/43/181035143.db2.gz DNJMFCGUTARQTF-UHFFFAOYSA-N 0 0 309.365 4.619 50 0 DJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000003566765 181035891 /nfs/dbraw/zinc/03/58/91/181035891.db2.gz PNACRFGZUIDEFN-UHFFFAOYSA-N 0 0 313.706 4.540 50 0 DJAARN Cc1ccccc1Nc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000003568338 181036797 /nfs/dbraw/zinc/03/67/97/181036797.db2.gz DEPWXPIZRJOHFQ-NSHDSACASA-N 0 0 309.438 4.868 50 0 DJAARN CCc1ccccc1NC(=S)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000003589016 181037710 /nfs/dbraw/zinc/03/77/10/181037710.db2.gz QZVCJOPFFHNTJN-GOSISDBHSA-N 0 0 324.493 4.744 50 0 DJAARN Cc1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1 ZINC000003592149 181037882 /nfs/dbraw/zinc/03/78/82/181037882.db2.gz UPJNXOXYRRSRIX-UHFFFAOYSA-N 0 0 308.362 4.603 50 0 DJAARN CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CC(C)C ZINC000003633930 181043021 /nfs/dbraw/zinc/04/30/21/181043021.db2.gz NRZPUNRKVDEDTO-UHFFFAOYSA-N 0 0 307.393 4.856 50 0 DJAARN CC[C@@H]1Sc2sc(=S)sc2S[C@@H](CC)C1=O ZINC000003669102 181044157 /nfs/dbraw/zinc/04/41/57/181044157.db2.gz KMVDXKMWBUTTGW-WDSKDSINSA-N 0 0 308.540 4.863 50 0 DJAARN O=C(CCC1CCCCC1)Nc1ccc(Cc2ccncc2)cc1 ZINC000003666287 181044172 /nfs/dbraw/zinc/04/41/72/181044172.db2.gz YYLKTUZCIDHNEB-UHFFFAOYSA-N 0 0 322.452 4.971 50 0 DJAARN Cc1cccc2c(C)cc(SCC(=O)c3ccccc3)nc12 ZINC000003613146 181040655 /nfs/dbraw/zinc/04/06/55/181040655.db2.gz JBSCQKGKTXGDNV-UHFFFAOYSA-N 0 0 307.418 4.827 50 0 DJAARN Cc1ccc(Nc2c(-c3cccs3)nc3cnccn32)cc1 ZINC000003896512 181053727 /nfs/dbraw/zinc/05/37/27/181053727.db2.gz BUWFNNUJGFGMAX-UHFFFAOYSA-N 0 0 306.394 4.510 50 0 DJAARN Cc1ccc(Nc2c(-c3ccccc3O)nc3ccccn32)cc1 ZINC000003911613 181057144 /nfs/dbraw/zinc/05/71/44/181057144.db2.gz XBOYLKSWUABKGB-UHFFFAOYSA-N 0 0 315.376 4.759 50 0 DJAARN CCCCOc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 ZINC000004028881 181064196 /nfs/dbraw/zinc/06/41/96/181064196.db2.gz SJWAPVJLNYHBEM-UHFFFAOYSA-N 0 0 302.414 4.869 50 0 biogenic DJAARN Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccccn32)cc1 ZINC000003911599 181057580 /nfs/dbraw/zinc/05/75/80/181057580.db2.gz YIBUMZXBMGHPAD-UHFFFAOYSA-N 0 0 315.376 4.759 50 0 DJAARN Cc1ccc(NC(=O)CSc2c[nH]c3ccccc23)c(C)c1 ZINC000003912787 181057974 /nfs/dbraw/zinc/05/79/74/181057974.db2.gz NYWSGKYDVBUJOX-UHFFFAOYSA-N 0 0 310.422 4.516 50 0 DJAARN O[C@H](c1c2ccccc2[nH]c1-c1ccccc1)C(F)(F)Cl ZINC000004050787 181066801 /nfs/dbraw/zinc/06/68/01/181066801.db2.gz QREZQAIEYAIZEJ-OAHLLOKOSA-N 0 0 307.727 4.700 50 0 DJAARN Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)ccc1Cl ZINC000003959902 181059542 /nfs/dbraw/zinc/05/95/42/181059542.db2.gz WHUQSKLYNJBFNZ-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c[nH]c2ccccc12 ZINC000004089688 181072196 /nfs/dbraw/zinc/07/21/96/181072196.db2.gz DYSVOABAIBRTPV-OAQYLSRUSA-N 0 0 315.420 4.617 50 0 biogenic DJAARN Fc1ccc(CSc2ncnc3c4ccccc4oc32)cc1 ZINC000004106815 181073822 /nfs/dbraw/zinc/07/38/22/181073822.db2.gz UCWSLEBEPZWUMD-UHFFFAOYSA-N 0 0 310.353 4.807 50 0 DJAARN C/C(=C/C(=O)N1CCC(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000004105420 181074043 /nfs/dbraw/zinc/07/40/43/181074043.db2.gz HZHSTMOFYQBVPV-NXVVXOECSA-N 0 0 323.411 4.635 50 0 DJAARN O=C(CSc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 ZINC000004108460 181074379 /nfs/dbraw/zinc/07/43/79/181074379.db2.gz REDVBYJRFHGOIJ-UHFFFAOYSA-N 0 0 316.813 4.552 50 0 DJAARN CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000004056203 181067192 /nfs/dbraw/zinc/06/71/92/181067192.db2.gz MORNTLFCLVWDED-CVEARBPZSA-N 0 0 312.409 4.771 50 0 DJAARN c1coc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000004133099 181077227 /nfs/dbraw/zinc/07/72/27/181077227.db2.gz WATHMQJGGGQOJJ-FXAWDEMLSA-N 0 0 316.360 4.522 50 0 DJAARN Cc1nc2sccn2c1-c1csc(Nc2ccccc2)n1 ZINC000004135702 181077261 /nfs/dbraw/zinc/07/72/61/181077261.db2.gz LCEVUGDBYWSFLC-UHFFFAOYSA-N 0 0 312.423 4.571 50 0 DJAARN Cc1ccc2c(c1)SCc1ccccc1[C@@]2(O)c1ccccc1 ZINC000004128478 181077611 /nfs/dbraw/zinc/07/76/11/181077611.db2.gz WRLOSNNRDOBKER-NRFANRHFSA-N 0 0 318.441 4.885 50 0 DJAARN Fc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000004159652 181079847 /nfs/dbraw/zinc/07/98/47/181079847.db2.gz SFRUVWRGPPJKQC-GOSISDBHSA-N 0 0 306.340 4.774 50 0 DJAARN c1coc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004164958 181080029 /nfs/dbraw/zinc/08/00/29/181080029.db2.gz CVGGTBHRIGQQLG-KSSFIOAISA-N 0 0 322.389 4.583 50 0 DJAARN Clc1ccc(-c2nnc(/C=C/c3ccco3)o2)c(Cl)c1 ZINC000004291479 181093425 /nfs/dbraw/zinc/09/34/25/181093425.db2.gz WQZCKTSZGZABHE-GQCTYLIASA-N 0 0 307.136 4.807 50 0 DJAARN Cc1ccc(C(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000004330756 181098471 /nfs/dbraw/zinc/09/84/71/181098471.db2.gz JWLYPPAMEOPXEC-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Cc1ccc(-n2c(SCc3ccccc3)nnc2C2CC2)cc1 ZINC000004366517 181102315 /nfs/dbraw/zinc/10/23/15/181102315.db2.gz PTXRDQPSORPOBG-UHFFFAOYSA-N 0 0 321.449 4.745 50 0 DJAARN Cc1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000004309561 181096095 /nfs/dbraw/zinc/09/60/95/181096095.db2.gz AOAJKDRUMUBFAQ-UHFFFAOYSA-N 0 0 316.404 4.551 50 0 DJAARN O=C(Nc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000004427324 181109177 /nfs/dbraw/zinc/10/91/77/181109177.db2.gz DSSLCEYJQQSHEG-UHFFFAOYSA-N 0 0 323.358 4.860 50 0 DJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H]2CCCO2)c1 ZINC000004386862 181105704 /nfs/dbraw/zinc/10/57/04/181105704.db2.gz JHEARUVBLQFZJA-LJQANCHMSA-N 0 0 306.409 4.553 50 0 DJAARN CC(C)c1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C)cc1 ZINC000004389069 181105956 /nfs/dbraw/zinc/10/59/56/181105956.db2.gz AMUNDWYSBUXTHK-PZJWPPBQSA-N 0 0 304.437 4.763 50 0 DJAARN CCOc1ccccc1[C@@H]1Nc2ccc(C)cc2-c2cc(C)nn21 ZINC000004458698 181110851 /nfs/dbraw/zinc/11/08/51/181110851.db2.gz YQUHYHRIBIBQBM-HXUWFJFHSA-N 0 0 319.408 4.538 50 0 DJAARN CSc1cccc(C(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000004517483 181118810 /nfs/dbraw/zinc/11/88/10/181118810.db2.gz HUOUBJCWKUZCRX-UHFFFAOYSA-N 0 0 314.435 4.579 50 0 DJAARN CSc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000004517661 181119101 /nfs/dbraw/zinc/11/91/01/181119101.db2.gz PWLDLOAYCFPHBT-UHFFFAOYSA-N 0 0 319.429 4.913 50 0 DJAARN CCOc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586218 181127186 /nfs/dbraw/zinc/12/71/86/181127186.db2.gz LPVOIVDHYBUYQU-UHFFFAOYSA-N 0 0 320.344 4.913 50 0 DJAARN CCCCOc1ccc(-c2noc(C3CCCCC3)n2)cc1 ZINC000004603461 181129374 /nfs/dbraw/zinc/12/93/74/181129374.db2.gz JXJPZWPUJWRFLI-UHFFFAOYSA-N 0 0 300.402 4.963 50 0 DJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 ZINC000004545460 181123105 /nfs/dbraw/zinc/12/31/05/181123105.db2.gz RUDKFVKXQDUUSY-YMTOWFKASA-N 0 0 318.467 4.753 50 0 DJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 ZINC000004545459 181123269 /nfs/dbraw/zinc/12/32/69/181123269.db2.gz RUDKFVKXQDUUSY-XPTSAGLGSA-N 0 0 318.467 4.753 50 0 DJAARN C[C@@H]1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000004672820 181134635 /nfs/dbraw/zinc/13/46/35/181134635.db2.gz NRVAUQKZTDSAFL-XUMLYMLNSA-N 0 0 305.421 4.628 50 0 DJAARN C[C@@H](NC(=O)c1cccc(-c2cccs2)c1)c1ccccc1 ZINC000004616243 181129977 /nfs/dbraw/zinc/12/99/77/181129977.db2.gz IKVOKMMUCNHBIO-CQSZACIVSA-N 0 0 307.418 4.906 50 0 DJAARN CC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C)cc1 ZINC000004614971 181130017 /nfs/dbraw/zinc/13/00/17/181130017.db2.gz 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CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)o3)ccc21 ZINC000020496270 182225203 /nfs/dbraw/zinc/22/52/03/182225203.db2.gz SEIXZXMXRQOQRA-UHFFFAOYSA-N 0 0 318.376 4.968 50 0 DJAARN CCc1ccc(-c2cc(C(F)(F)F)c3cnn(CC)c3n2)cc1 ZINC000020615863 182239334 /nfs/dbraw/zinc/23/93/34/182239334.db2.gz MVLLHEDFNMMVPI-UHFFFAOYSA-N 0 0 319.330 4.699 50 0 DJAARN CC(C)(C)c1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1 ZINC000020616555 182239559 /nfs/dbraw/zinc/23/95/59/182239559.db2.gz FWXIHKDAWQERQA-UHFFFAOYSA-N 0 0 319.330 4.713 50 0 DJAARN O=C(Nc1cccc(Cl)c1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575366 182234717 /nfs/dbraw/zinc/23/47/17/182234717.db2.gz RDLFJEUDFOPCGB-UHFFFAOYSA-N 0 0 321.767 4.622 50 0 DJAARN CCc1cccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c1 ZINC000020575466 182234868 /nfs/dbraw/zinc/23/48/68/182234868.db2.gz WBFGRWIFFXWBNZ-UHFFFAOYSA-N 0 0 315.376 4.531 50 0 DJAARN Clc1ccc(-c2noc3ncnc(Nc4ccccc4)c32)cc1 ZINC000020575097 182234917 /nfs/dbraw/zinc/23/49/17/182234917.db2.gz PXHPZNHCAKSGSW-UHFFFAOYSA-N 0 0 322.755 4.682 50 0 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4.758 50 0 DJAARN COc1ccccc1N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000040086327 183032072 /nfs/dbraw/zinc/03/20/72/183032072.db2.gz SIYLWKHALKKMQE-LLVKDONJSA-N 0 0 317.339 4.613 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000040096509 183034016 /nfs/dbraw/zinc/03/40/16/183034016.db2.gz LBOPYIJAZGCADS-UHFFFAOYSA-N 0 0 324.758 4.591 50 0 DJAARN Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)c1 ZINC000040095807 183034238 /nfs/dbraw/zinc/03/42/38/183034238.db2.gz PHEYKWDGIMRUTL-CYBMUJFWSA-N 0 0 318.367 4.773 50 0 DJAARN CCCc1ccc([C@@H](NC(=O)/C=C/c2ccccn2)C(C)C)cc1 ZINC000040119431 183037756 /nfs/dbraw/zinc/03/77/56/183037756.db2.gz LHSSDPOFYRYPOB-ARKBFRDHSA-N 0 0 322.452 4.561 50 0 DJAARN Clc1cc(-c2nc(-c3ccccc3)no2)c2ccccc2n1 ZINC000040478853 183076247 /nfs/dbraw/zinc/07/62/47/183076247.db2.gz FJAYLMBLFXTTBC-UHFFFAOYSA-N 0 0 307.740 4.605 50 0 DJAARN Cc1ccc(NC(=O)c2cccc3ccccc32)c2cccnc12 ZINC000041157606 183179102 /nfs/dbraw/zinc/17/91/02/183179102.db2.gz FSTNNPGHVVAREY-UHFFFAOYSA-N 0 0 312.372 4.949 50 0 DJAARN COc1ccc2nc(-c3ccccc3)cc(Br)c2c1 ZINC000041702243 183217575 /nfs/dbraw/zinc/21/75/75/183217575.db2.gz SQYGESKRCNXFSQ-UHFFFAOYSA-N 0 0 314.182 4.673 50 0 DJAARN O=C(Nc1ccccc1Cl)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000043146970 183341375 /nfs/dbraw/zinc/34/13/75/183341375.db2.gz UFLYLLDNEBKEBP-UWVGGRQHSA-N 0 0 320.742 4.583 50 0 DJAARN CCc1cccc(C)c1NC(=O)NCc1ccccc1Cl ZINC000043156702 183342323 /nfs/dbraw/zinc/34/23/23/183342323.db2.gz KFXYSOGJJZQGLU-UHFFFAOYSA-N 0 0 302.805 4.533 50 0 DJAARN Cc1ccc(C(=O)c2ccccc2Br)cc1Cl ZINC000043210089 183344117 /nfs/dbraw/zinc/34/41/17/183344117.db2.gz PENBKHGCAXJRAW-UHFFFAOYSA-N 0 0 309.590 4.642 50 0 DJAARN O=C(c1ccc(Cl)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000043210256 183344373 /nfs/dbraw/zinc/34/43/73/183344373.db2.gz QJYGKYJLTRNODY-UHFFFAOYSA-N 0 0 305.082 4.642 50 0 DJAARN CCCCCCc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000043209959 183344498 /nfs/dbraw/zinc/34/44/98/183344498.db2.gz PKAFXPLDTDQNMK-UHFFFAOYSA-N 0 0 324.420 4.966 50 0 DJAARN C=C(OC(=O)N1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000043207251 183344571 /nfs/dbraw/zinc/34/45/71/183344571.db2.gz XJXAZBCFRJTJGS-UHFFFAOYSA-N 0 0 307.393 4.947 50 0 DJAARN Cc1cccc(CCC(=O)c2ccc(Br)cc2F)c1 ZINC000043211994 183345128 /nfs/dbraw/zinc/34/51/28/183345128.db2.gz OSPKWXOSSKEGPP-UHFFFAOYSA-N 0 0 321.189 4.712 50 0 DJAARN Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccccc1Cl ZINC000043358361 183357142 /nfs/dbraw/zinc/35/71/42/183357142.db2.gz OPECBMQJOJEVDT-CYBMUJFWSA-N 0 0 302.805 4.840 50 0 DJAARN COc1ccc(NC(=O)Nc2ccccc2Cl)cc1Cl ZINC000043468479 183365530 /nfs/dbraw/zinc/36/55/30/183365530.db2.gz DEJYNLWVUPTFPC-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN CC(C)c1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000044316408 183405318 /nfs/dbraw/zinc/40/53/18/183405318.db2.gz MMSVMZALJPBYQE-UHFFFAOYSA-N 0 0 305.780 4.533 50 0 DJAARN Cc1noc2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102727967 193921973 /nfs/dbraw/zinc/92/19/73/193921973.db2.gz VFJXMWYZBZWXJM-INIZCTEOSA-N 0 0 308.381 4.833 50 0 DJAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)c1 ZINC000046018355 183543434 /nfs/dbraw/zinc/54/34/34/183543434.db2.gz CQRJMVVGHZCGSA-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN CCc1nc(CN(Cc2ccc(Cl)cc2)C2CC2)cs1 ZINC000048251644 183632012 /nfs/dbraw/zinc/63/20/12/183632012.db2.gz HSWFYANPZPJCFP-UHFFFAOYSA-N 0 0 306.862 4.524 50 0 DJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccsc1 ZINC000048251662 183632033 /nfs/dbraw/zinc/63/20/33/183632033.db2.gz TYRPAVILZZUXGA-SFHVURJKSA-N 0 0 324.449 4.526 50 0 DJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccsc1 ZINC000048251660 183632065 /nfs/dbraw/zinc/63/20/65/183632065.db2.gz TYRPAVILZZUXGA-GOSISDBHSA-N 0 0 324.449 4.526 50 0 DJAARN O=C(Nc1ccc(F)cc1F)Nc1ccc(Cl)cc1Cl ZINC000051354094 183824316 /nfs/dbraw/zinc/82/43/16/183824316.db2.gz GEBYDPCMVOQATA-UHFFFAOYSA-N 0 0 317.122 4.916 50 0 DJAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 ZINC000058162917 184083344 /nfs/dbraw/zinc/08/33/44/184083344.db2.gz ZDPOJIDQFHZUOB-CYBMUJFWSA-N 0 0 317.429 4.816 50 0 DJAARN Cc1c2ccccc2sc1-c1csc(-c2cnccn2)n1 ZINC000058367157 184109295 /nfs/dbraw/zinc/10/92/95/184109295.db2.gz YRRHFBCGRGJCFL-UHFFFAOYSA-N 0 0 309.419 4.790 50 0 DJAARN CC(C)CCn1c2ccccc2nc1SCc1cccnc1 ZINC000058656662 184126253 /nfs/dbraw/zinc/12/62/53/184126253.db2.gz MLVYBPPLUSDWBE-UHFFFAOYSA-N 0 0 311.454 4.770 50 0 DJAARN Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)nc(-c2ccncc2)n1 ZINC000060217832 184145712 /nfs/dbraw/zinc/14/57/12/184145712.db2.gz LLQAKYBKJTXYOQ-ZDUSSCGKSA-N 0 0 324.815 4.674 50 0 DJAARN C[C@H](c1ccco1)N(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000060017528 184143233 /nfs/dbraw/zinc/14/32/33/184143233.db2.gz NAHCGRHPTDBUMK-SNVBAGLBSA-N 0 0 324.207 4.952 50 0 DJAARN CCc1ccsc1C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000060110841 184144411 /nfs/dbraw/zinc/14/44/11/184144411.db2.gz PHPDZNALAATUOS-CQSZACIVSA-N 0 0 315.482 4.797 50 0 DJAARN CCOc1cccc([C@@H](C)NC(=O)c2cc(C)c(CC)s2)c1 ZINC000060183648 184144779 /nfs/dbraw/zinc/14/47/79/184144779.db2.gz VSMLMIJTPUEYIH-CYBMUJFWSA-N 0 0 317.454 4.509 50 0 DJAARN Clc1ccc(Br)c(Cl)c1Br ZINC000063339657 184280766 /nfs/dbraw/zinc/28/07/66/184280766.db2.gz XEUDFUBIELPUTO-UHFFFAOYSA-N 0 0 304.796 4.518 50 0 DJAARN Cc1cccc(Oc2nc3ccccc3nc2N2CCCC2)c1C ZINC000064438528 184297229 /nfs/dbraw/zinc/29/72/29/184297229.db2.gz COZXNKUZDHVGNI-UHFFFAOYSA-N 0 0 319.408 4.639 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)cc1 ZINC000064579841 184300614 /nfs/dbraw/zinc/30/06/14/184300614.db2.gz NKWXVVIZZACOTK-SFHVURJKSA-N 0 0 313.828 4.555 50 0 DJAARN Cc1ccc(Oc2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000063859443 184289612 /nfs/dbraw/zinc/28/96/12/184289612.db2.gz WHTLVWSQZMXLPY-UHFFFAOYSA-N 0 0 319.389 4.854 50 0 DJAARN Cc1cc(C)cc(Nc2ncnc3c(-c4ccccc4)noc32)c1 ZINC000064820845 184304009 /nfs/dbraw/zinc/30/40/09/184304009.db2.gz HRACDXPPSXXRLZ-UHFFFAOYSA-N 0 0 316.364 4.645 50 0 DJAARN CCCC(C)(C)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000065041087 184309550 /nfs/dbraw/zinc/30/95/50/184309550.db2.gz LFJZKXVDVGUFFB-UHFFFAOYSA-N 0 0 322.861 4.772 50 0 DJAARN Fc1ccc(Oc2ccc(-c3noc(-c4ccoc4)n3)cc2)cc1 ZINC000064667925 184302115 /nfs/dbraw/zinc/30/21/15/184302115.db2.gz PDFJDFLEAWWAGI-UHFFFAOYSA-N 0 0 322.295 4.928 50 0 DJAARN Clc1ccc(Cn2cnc(-c3ccccc3)c2C2CC2)cn1 ZINC000065396304 184335203 /nfs/dbraw/zinc/33/52/03/184335203.db2.gz NSTJVCXAMQIUSN-UHFFFAOYSA-N 0 0 309.800 4.524 50 0 DJAARN O=C(c1cccc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000065610582 184373033 /nfs/dbraw/zinc/37/30/33/184373033.db2.gz ZRCOCZIPBYICNI-QGZVFWFLSA-N 0 0 307.418 4.879 50 0 DJAARN Cc1nc2ccc(NC(=O)c3c(C)[nH]c4ccccc43)cc2s1 ZINC000012734102 256525189 /nfs/dbraw/zinc/52/51/89/256525189.db2.gz JVPXQQTZBLPUPR-UHFFFAOYSA-N 0 0 321.405 4.647 50 0 DJAARN CC(C)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000014258071 256526304 /nfs/dbraw/zinc/52/63/04/256526304.db2.gz GTPUGBIHUNQWAB-UHFFFAOYSA-N 0 0 314.772 4.743 50 0 DJAARN CC(C)N(C(=O)c1ccccc1-c1ccc2c(c1)OCC2)C(C)C ZINC000426699861 257244230 /nfs/dbraw/zinc/24/42/30/257244230.db2.gz DGSRSBCPUCKKTM-UHFFFAOYSA-N 0 0 323.436 4.548 50 0 DJAARN CO[C@H](C)c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000426497242 257248436 /nfs/dbraw/zinc/24/84/36/257248436.db2.gz MUZISVLNWUZWAR-MRXNPFEDSA-N 0 0 323.436 4.687 50 0 DJAARN CO[C@@H](C)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000426360152 257253126 /nfs/dbraw/zinc/25/31/26/257253126.db2.gz LNULMGAHIRPLLB-INIZCTEOSA-N 0 0 323.436 4.687 50 0 DJAARN COc1cc(/C=C/c2nc3ccccc3o2)ccc1OC(C)C ZINC000012733434 257268352 /nfs/dbraw/zinc/26/83/52/257268352.db2.gz RAHZHXHDHNVLMV-PKNBQFBNSA-N 0 0 309.365 4.794 50 0 DJAARN CC(C)CC(=O)Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1 ZINC000034796419 257269840 /nfs/dbraw/zinc/26/98/40/257269840.db2.gz ZTYJVFYSSIBCSX-UHFFFAOYSA-N 0 0 319.408 4.728 50 0 DJAARN Cc1cccnc1Cn1ccnc1-c1ccccc1-c1ccco1 ZINC000071762625 257270456 /nfs/dbraw/zinc/27/04/56/257270456.db2.gz ZBYQJRPZMGROPW-UHFFFAOYSA-N 0 0 315.376 4.562 50 0 DJAARN c1ccc(C2CC(Nc3cccc(Oc4cnccn4)c3)C2)cc1 ZINC000126348073 195831712 /nfs/dbraw/zinc/83/17/12/195831712.db2.gz KXEJJPCVICHNTE-UHFFFAOYSA-N 0 0 317.392 4.627 50 0 DJAARN Cc1ccc(-c2csc3ncnc(N4CCC(C)CC4)c23)cc1 ZINC000000087111 134427582 /nfs/dbraw/zinc/42/75/82/134427582.db2.gz VLVOAQCNWWIEGH-UHFFFAOYSA-N 0 0 323.465 4.903 50 0 DJAARN C=CC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C ZINC000000173827 134430276 /nfs/dbraw/zinc/43/02/76/134430276.db2.gz RNPQGRIFBIMOFC-UHFFFAOYSA-N 0 0 319.476 4.974 50 0 DJAARN Cc1cc(N2CCC(C)CC2)c(F)cc1C(=O)c1ccccc1 ZINC000000319006 134435301 /nfs/dbraw/zinc/43/53/01/134435301.db2.gz DVKXMMKOXQQVOP-UHFFFAOYSA-N 0 0 311.400 4.601 50 0 DJAARN CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000013713895 134515372 /nfs/dbraw/zinc/51/53/72/134515372.db2.gz MYHHJVNNUOGVLJ-OAQYLSRUSA-N 0 0 311.388 4.700 50 0 DJAARN c1ccc2c(c1)[C@@H]1C[C@@H]1c1ccccc1[C@H]2O[C@H]1CCCCO1 ZINC000257346426 262517067 /nfs/dbraw/zinc/51/70/67/262517067.db2.gz FMUOOONUTKTPBM-WOZUAGRISA-N 0 0 306.405 4.904 50 0 DJAARN O=C(Cc1cc2ccccc2s1)Nc1ccc(Cl)cc1 ZINC000045068741 262518287 /nfs/dbraw/zinc/51/82/87/262518287.db2.gz KTPMBDNZZMPCCQ-UHFFFAOYSA-N 0 0 301.798 4.736 50 0 DJAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000450753 331462556 /nfs/dbraw/zinc/46/25/56/331462556.db2.gz LNPVNQJDLWZYPO-UHFFFAOYSA-N 0 0 323.314 4.745 50 0 DJAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccccc1Cl ZINC000000463652 331462791 /nfs/dbraw/zinc/46/27/91/331462791.db2.gz JGSORDLPQYWJSO-CYBMUJFWSA-N 0 0 317.816 4.871 50 0 DJAARN Fc1ccc(-c2nnsc2SCc2ccccc2)cc1 ZINC000001385727 331466456 /nfs/dbraw/zinc/46/64/56/331466456.db2.gz LMKQKLBIYVDRAZ-UHFFFAOYSA-N 0 0 302.399 4.637 50 0 DJAARN CC(C)COP(=O)(Nc1ccc(Cl)cn1)OCC(C)C ZINC000002315551 331469665 /nfs/dbraw/zinc/46/96/65/331469665.db2.gz MBSWEAMGIPYQSH-UHFFFAOYSA-N 0 0 320.757 4.600 50 0 DJAARN O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1cccs1 ZINC000002832948 331472603 /nfs/dbraw/zinc/47/26/03/331472603.db2.gz HZZCOVDMJBWVGU-LLVKDONJSA-N 0 0 312.221 4.662 50 0 DJAARN CCCCN(CCCC)C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000006042604 331493636 /nfs/dbraw/zinc/49/36/36/331493636.db2.gz ISCISYOQBNFORV-AWEZNQCLSA-N 0 0 311.853 4.536 50 0 DJAARN Cc1ccc2c(Cl)c(C(=O)NC3CCCCC3)sc2c1 ZINC000013952659 331546325 /nfs/dbraw/zinc/54/63/25/331546325.db2.gz GNIYKTDUONSHJH-UHFFFAOYSA-N 0 0 307.846 4.926 50 0 DJAARN O=C(Nc1ccccc1F)Oc1ccc(Cl)c(Cl)c1 ZINC000000398396 336220046 /nfs/dbraw/zinc/22/00/46/336220046.db2.gz YEVKUKJKUREHRX-UHFFFAOYSA-N 0 0 300.116 4.743 50 0 DJAARN CSc1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 ZINC000000555022 518175760 /nfs/dbraw/zinc/17/57/60/518175760.db2.gz QLULWMSIPJKVCC-CYBMUJFWSA-N 0 0 317.479 4.836 50 0 DJAARN CC[C@H](c1ccncc1)N(CC)C(=O)C[C@H](C)c1ccccc1 ZINC000157552822 522969294 /nfs/dbraw/zinc/96/92/94/522969294.db2.gz MJAKZWUMQNINBQ-QFBILLFUSA-N 0 0 310.441 4.575 50 0 DJAARN COC(=O)c1cc(-c2ccc(C)c(F)c2)cc(C(F)(F)F)c1 ZINC000097757140 563541777 /nfs/dbraw/zinc/54/17/77/563541777.db2.gz OWNQBZONXJXTMU-UHFFFAOYSA-N 0 0 312.262 4.607 50 0 DJAARN CCCCOc1ccc(OC(=O)[C@H]2CC[C@H](CC)CC2)cc1 ZINC000100003740 563544583 /nfs/dbraw/zinc/54/45/83/563544583.db2.gz INSHVYHEMJBBET-IYBDPMFKSA-N 0 0 304.430 4.987 50 0 DJAARN O=C(c1cccs1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206878293 563639675 /nfs/dbraw/zinc/63/96/75/563639675.db2.gz HYKWQXARBSUHPF-CQSZACIVSA-N 0 0 319.857 4.811 50 0 DJAARN CCCc1cc(C(=O)Nc2ccc(F)c(F)c2F)sc1C ZINC000015002199 563776283 /nfs/dbraw/zinc/77/62/83/563776283.db2.gz CGDMKKHKXWKXHJ-UHFFFAOYSA-N 0 0 313.344 4.679 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1 ZINC000002161989 563847181 /nfs/dbraw/zinc/84/71/81/563847181.db2.gz SOGNUIAPFCWAEJ-UHFFFAOYSA-N 0 0 315.678 4.970 50 0 DJAARN Cc1cccc(C[S@](=O)Cc2csc(C3CCCC3)n2)c1 ZINC000069818136 563954826 /nfs/dbraw/zinc/95/48/26/563954826.db2.gz UENZHTPRAQIETM-OAQYLSRUSA-N 0 0 319.495 4.558 50 0 DJAARN CC(C)c1cc(Br)ccc1NC(=O)c1ccccc1 ZINC000000382358 563247608 /nfs/dbraw/zinc/24/76/08/563247608.db2.gz MBJIOSMVBNZVGR-UHFFFAOYSA-N 0 0 318.214 4.825 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(SC)cc1 ZINC000000399715 563251247 /nfs/dbraw/zinc/25/12/47/563251247.db2.gz CPFWIQODYVSCIS-UHFFFAOYSA-N 0 0 322.817 4.715 50 0 DJAARN Cc1ccc(NC(=S)N2CCS[C@@H]2c2cccs2)cc1 ZINC000002727725 563311650 /nfs/dbraw/zinc/31/16/50/563311650.db2.gz MKXABSSLTCDCIT-CQSZACIVSA-N 0 0 320.508 4.501 50 0 DJAARN FC(F)(F)c1ccnc(S[C@H]2CCCc3ccccc32)n1 ZINC000071907180 563332287 /nfs/dbraw/zinc/33/22/87/563332287.db2.gz CIRYKFNYULTBSD-LBPRGKRZSA-N 0 0 310.344 4.665 50 0 DJAARN Fc1ccc(Oc2ncnc3cc(Cl)ccc32)c(Cl)c1 ZINC000012979029 563375735 /nfs/dbraw/zinc/37/57/35/563375735.db2.gz ALPPKCNBXKEXFM-UHFFFAOYSA-N 0 0 309.127 4.868 50 0 DJAARN CC(=O)c1c(C)[nH]c(-c2csc(-c3ccsc3)n2)c1C ZINC000008102549 563503799 /nfs/dbraw/zinc/50/37/99/563503799.db2.gz PWGLWZYZGSSQJP-UHFFFAOYSA-N 0 0 302.424 4.686 50 0 DJAARN CCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1 ZINC000000062897 563212349 /nfs/dbraw/zinc/21/23/49/563212349.db2.gz NFTGJNJRMWUBPG-UHFFFAOYSA-N 0 0 321.829 4.713 50 0 DJAARN Cc1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000000033074 563211244 /nfs/dbraw/zinc/21/12/44/563211244.db2.gz DRASCTAWFQOISO-MRXNPFEDSA-N 0 0 308.425 4.828 50 0 DJAARN CC(C)Oc1ccccc1NC(=O)c1cccc2ccccc21 ZINC000000035998 563211297 /nfs/dbraw/zinc/21/12/97/563211297.db2.gz BNSMVVQCVDCFHE-UHFFFAOYSA-N 0 0 305.377 4.879 50 0 DJAARN O=C(Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1 ZINC000000036054 563211431 /nfs/dbraw/zinc/21/14/31/563211431.db2.gz ORVJWSQRNLDKNP-UHFFFAOYSA-N 0 0 322.795 4.506 50 0 DJAARN CC1=CC(C)(C)Nc2ccc(OCC(=O)c3ccccc3)cc21 ZINC000000055379 563212022 /nfs/dbraw/zinc/21/20/22/563212022.db2.gz GWCMAUNNDBFXBL-UHFFFAOYSA-N 0 0 307.393 4.556 50 0 DJAARN O=C1c2cc3ccccc3cc2C(=O)N1c1ccc2ccccc2c1 ZINC000000058664 563212205 /nfs/dbraw/zinc/21/22/05/563212205.db2.gz QEDNOOGIBREOCN-UHFFFAOYSA-N 0 0 323.351 4.794 50 0 DJAARN Cc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1 ZINC000000066597 563212958 /nfs/dbraw/zinc/21/29/58/563212958.db2.gz DWAOCTUKGZBQSZ-UHFFFAOYSA-N 0 0 309.438 4.657 50 0 DJAARN CC(C)n1c2ccccc2nc1[C@@H](O)c1cccc2ccccc21 ZINC000000079130 563214043 /nfs/dbraw/zinc/21/40/43/563214043.db2.gz WQMXCCQDRJLFQB-FQEVSTJZSA-N 0 0 316.404 4.852 50 0 DJAARN Cc1ccc(C)c(COc2cc(C)c3c(c2)OC(C)(C)CC3=O)c1 ZINC000000083232 563214428 /nfs/dbraw/zinc/21/44/28/563214428.db2.gz DAMCCLNEKZOCMQ-UHFFFAOYSA-N 0 0 324.420 4.935 50 0 DJAARN Cc1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000000082443 563214625 /nfs/dbraw/zinc/21/46/25/563214625.db2.gz PXICKOGZWJTPIR-UHFFFAOYSA-N 0 0 300.305 4.719 50 0 DJAARN O=C(/C=C/c1ccco1)N1c2ccccc2CCc2ccccc21 ZINC000000081319 563214727 /nfs/dbraw/zinc/21/47/27/563214727.db2.gz XSSCFENEVOKWBJ-BUHFOSPRSA-N 0 0 315.372 4.756 50 0 DJAARN CCc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000093650 563215882 /nfs/dbraw/zinc/21/58/82/563215882.db2.gz BHRPPYGKUNXVGB-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(F)cc1 ZINC000000095879 563216249 /nfs/dbraw/zinc/21/62/49/563216249.db2.gz MURPEIWGYQPODI-UHFFFAOYSA-N 0 0 324.355 4.603 50 0 DJAARN CC1=CC[C@H]2C(=O)N(c3ccc(C4CCCCC4)cc3)C(=O)[C@H]2C1 ZINC000000100381 563216798 /nfs/dbraw/zinc/21/67/98/563216798.db2.gz SSJUDASJYCOCGB-MOPGFXCFSA-N 0 0 323.436 4.580 50 0 DJAARN Cc1sc2ncnc(SCc3ccc(C)cc3)c2c1C ZINC000000098956 563217073 /nfs/dbraw/zinc/21/70/73/563217073.db2.gz YQZJKNSLWYSIQK-UHFFFAOYSA-N 0 0 300.452 4.909 50 0 DJAARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Sc2ccccc2N1 ZINC000000109825 563218607 /nfs/dbraw/zinc/21/86/07/563218607.db2.gz CCDWRGBDYHWSBR-CQSZACIVSA-N 0 0 323.339 4.881 50 0 DJAARN Cc1ccc(SC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000000122564 563220619 /nfs/dbraw/zinc/22/06/19/563220619.db2.gz CICCGMITNMNPOQ-UHFFFAOYSA-N 0 0 312.312 4.826 50 0 DJAARN O=c1oc(-c2ccccc2)nc2scc(-c3ccccc3)c21 ZINC000000126508 563221064 /nfs/dbraw/zinc/22/10/64/563221064.db2.gz GSCYIBYSECKRIS-UHFFFAOYSA-N 0 0 305.358 4.584 50 0 DJAARN CCN(C(=S)Nc1c(C)cccc1Cl)c1ccccc1 ZINC000000128636 563221198 /nfs/dbraw/zinc/22/11/98/563221198.db2.gz IVHFJXBFYDOSJY-UHFFFAOYSA-N 0 0 304.846 4.872 50 0 DJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000000138254 563222677 /nfs/dbraw/zinc/22/26/77/563222677.db2.gz VGUCBSKIBOPWJQ-UHFFFAOYSA-N 0 0 311.425 4.753 50 0 DJAARN CC(C)(C)n1cnnc1SCc1c(Cl)cccc1Cl ZINC000000140052 563222811 /nfs/dbraw/zinc/22/28/11/563222811.db2.gz SZMBXUMHEUIFNP-UHFFFAOYSA-N 0 0 316.257 4.632 50 0 DJAARN CCc1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000000145278 563224001 /nfs/dbraw/zinc/22/40/01/563224001.db2.gz AEHHTHUVKCFZBI-UHFFFAOYSA-N 0 0 317.816 4.537 50 0 DJAARN Cc1ccc(NC(=O)COc2c(C)ccc(C)c2C)cc1Cl ZINC000000144586 563224128 /nfs/dbraw/zinc/22/41/28/563224128.db2.gz YRVOKKAFCCPIBZ-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN CSc1sc(-c2nc(C)cs2)c(C)c1-c1cc[nH]n1 ZINC000000149056 563224561 /nfs/dbraw/zinc/22/45/61/563224561.db2.gz FTRDAOYAMPAHSD-UHFFFAOYSA-N 0 0 307.469 4.600 50 0 DJAARN CCc1ccc(-c2csc(NC(=O)Oc3ccccc3)n2)cc1 ZINC000000151156 563225148 /nfs/dbraw/zinc/22/51/48/563225148.db2.gz QRANLPFERFBRNN-UHFFFAOYSA-N 0 0 324.405 4.983 50 0 DJAARN Cc1nc(Nc2ccccc2)sc1C(=O)c1ccc(F)cc1 ZINC000000155243 563225203 /nfs/dbraw/zinc/22/52/03/563225203.db2.gz KRDTXVDRSMOVKQ-UHFFFAOYSA-N 0 0 312.369 4.565 50 0 DJAARN Cc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000000152640 563225253 /nfs/dbraw/zinc/22/52/53/563225253.db2.gz MDSWOPANUGRFIM-UHFFFAOYSA-N 0 0 308.328 4.928 50 0 DJAARN C[C@@H]1Sc2ccc(Cl)cc2-c2nc(-n3cccc3)ncc21 ZINC000000152456 563225291 /nfs/dbraw/zinc/22/52/91/563225291.db2.gz AKECNNQPXYGYNW-JTQLQIEISA-N 0 0 313.813 4.754 50 0 DJAARN COc1ccc(OC(=O)/C=C/c2sc3ccccc3c2C)cc1 ZINC000000172458 563227361 /nfs/dbraw/zinc/22/73/61/563227361.db2.gz PREHRKXMLWOXQT-VAWYXSNFSA-N 0 0 324.401 4.837 50 0 DJAARN O=C(Cc1c(Cl)sc2ccccc21)OCc1ccccc1 ZINC000000172239 563227614 /nfs/dbraw/zinc/22/76/14/563227614.db2.gz SXAUTTJXMLFMIE-UHFFFAOYSA-N 0 0 316.809 4.841 50 0 DJAARN Cc1cc(C)cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000000175469 563227999 /nfs/dbraw/zinc/22/79/99/563227999.db2.gz VQVITXVICMUGHI-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000000186093 563229106 /nfs/dbraw/zinc/22/91/06/563229106.db2.gz FAFONBUZPJZYBQ-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000000195055 563229829 /nfs/dbraw/zinc/22/98/29/563229829.db2.gz SWPWJIJMLGHKAY-SFHVURJKSA-N 0 0 317.388 4.713 50 0 DJAARN CC1=CC(C)(C)Nc2ccc(OC(=O)/C=C/c3ccco3)cc21 ZINC000000199016 563229845 /nfs/dbraw/zinc/22/98/45/563229845.db2.gz SNZFWXWREHCSAV-VQHVLOKHSA-N 0 0 309.365 4.506 50 0 DJAARN CC[C@H](C)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1 ZINC000000204803 563230056 /nfs/dbraw/zinc/23/00/56/563230056.db2.gz HWULAQLGOBYGGT-ZDUSSCGKSA-N 0 0 321.376 4.559 50 0 DJAARN Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000000204705 563230536 /nfs/dbraw/zinc/23/05/36/563230536.db2.gz DVJCJFDBQDHKRT-UHFFFAOYSA-N 0 0 315.372 4.871 50 0 DJAARN O[C@H](COC1CCCCC1)Cn1c2ccccc2c2ccccc21 ZINC000000208943 563230838 /nfs/dbraw/zinc/23/08/38/563230838.db2.gz VGJQYNSCFDNIPB-INIZCTEOSA-N 0 0 323.436 4.505 50 0 DJAARN Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000236327 563232206 /nfs/dbraw/zinc/23/22/06/563232206.db2.gz JXECXIGBEVRLLI-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1ccccc1-c1nnc(SCc2ccccc2Cl)o1 ZINC000000241323 563232691 /nfs/dbraw/zinc/23/26/91/563232691.db2.gz FCWKZEKPROWXFF-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 ZINC000000243285 563232935 /nfs/dbraw/zinc/23/29/35/563232935.db2.gz KMYHCSMMFOACBL-WYMLVPIESA-N 0 0 319.360 4.607 50 0 DJAARN COc1ccc(Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000000246640 563233633 /nfs/dbraw/zinc/23/36/33/563233633.db2.gz PTHCHNRYBATMST-UHFFFAOYSA-N 0 0 312.394 4.571 50 0 DJAARN CCOc1ccccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000000258987 563234261 /nfs/dbraw/zinc/23/42/61/563234261.db2.gz OKJYSCRPDGEZKV-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Cc1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000000260837 563234274 /nfs/dbraw/zinc/23/42/74/563234274.db2.gz PARXBXPKBULCPI-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1cccc(NC(=O)CSc2cccc3cccnc32)c1C ZINC000000267068 563234629 /nfs/dbraw/zinc/23/46/29/563234629.db2.gz BRCCYPFQOAWJMO-UHFFFAOYSA-N 0 0 322.433 4.582 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000276257 563235282 /nfs/dbraw/zinc/23/52/82/563235282.db2.gz IHEFDWCPADWMFL-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN Cc1ccc(NC(=O)c2ccccc2Br)cc1Cl ZINC000000272133 563235365 /nfs/dbraw/zinc/23/53/65/563235365.db2.gz SLKGWIKVIKLZAK-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN COc1ccccc1C(=O)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000000285446 563235894 /nfs/dbraw/zinc/23/58/94/563235894.db2.gz AUKUBBZBTNXRKE-UHFFFAOYSA-N 0 0 318.372 4.890 50 0 DJAARN C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2ccccc2c1 ZINC000000284768 563235909 /nfs/dbraw/zinc/23/59/09/563235909.db2.gz JWBBZWXYLRVYNC-HNNXBMFYSA-N 0 0 304.393 4.593 50 0 DJAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1 ZINC000000291224 563236544 /nfs/dbraw/zinc/23/65/44/563236544.db2.gz JWEZMUYXFVQOOL-UHFFFAOYSA-N 0 0 314.344 4.747 50 0 DJAARN COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 ZINC000000303477 563237924 /nfs/dbraw/zinc/23/79/24/563237924.db2.gz FHGJQDJUUNZKMT-UHFFFAOYSA-N 0 0 318.372 4.890 50 0 DJAARN Cc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1 ZINC000000304503 563238528 /nfs/dbraw/zinc/23/85/28/563238528.db2.gz FQWSGALFHVKCQX-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN O=C(Nc1cccc(F)c1)c1cccc(OCc2ccccc2)c1 ZINC000000310301 563239836 /nfs/dbraw/zinc/23/98/36/563239836.db2.gz JISTZEMXLOUPQV-UHFFFAOYSA-N 0 0 321.351 4.657 50 0 DJAARN COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1Cl ZINC000000316807 563240310 /nfs/dbraw/zinc/24/03/10/563240310.db2.gz JVMPBYHQBSODII-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN O=Cc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1 ZINC000000335166 563241384 /nfs/dbraw/zinc/24/13/84/563241384.db2.gz DOUAFMIJGIUWJX-UHFFFAOYSA-N 0 0 301.345 4.781 50 0 DJAARN Brc1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000000331471 563241400 /nfs/dbraw/zinc/24/14/00/563241400.db2.gz IJXDLFJKGQNBEJ-UHFFFAOYSA-N 0 0 311.182 4.573 50 0 DJAARN CC(C)OC(=O)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000347592 563242470 /nfs/dbraw/zinc/24/24/70/563242470.db2.gz YDIWRWPZLZRROJ-QGZVFWFLSA-N 0 0 313.422 4.516 50 0 DJAARN COc1cc2c(cc1OC)Sc1ccc(Cl)cc1C=C2 ZINC000000347334 563242671 /nfs/dbraw/zinc/24/26/71/563242671.db2.gz PRZNEENHJWRJCM-UHFFFAOYSA-N 0 0 304.798 4.992 50 0 DJAARN Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000000343157 563242724 /nfs/dbraw/zinc/24/27/24/563242724.db2.gz OWXYDNMXONQDIS-UHFFFAOYSA-N 0 0 305.830 4.520 50 0 DJAARN CC1(C)Cc2ccccc2-c2nnc(-c3ccccc3Cl)n21 ZINC000000343672 563242733 /nfs/dbraw/zinc/24/27/33/563242733.db2.gz DLBKLCHFSBOQRU-UHFFFAOYSA-N 0 0 309.800 4.557 50 0 DJAARN CC1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000000351215 563243011 /nfs/dbraw/zinc/24/30/11/563243011.db2.gz ZWVNEFSNQLQGDR-UHFFFAOYSA-N 0 0 309.438 4.595 50 0 DJAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000000362271 563244728 /nfs/dbraw/zinc/24/47/28/563244728.db2.gz OMKOKEFFLXUZRC-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN COc1ccc(OC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000000363603 563245192 /nfs/dbraw/zinc/24/51/92/563245192.db2.gz QFGMDYURARJDBI-OAHLLOKOSA-N 0 0 312.409 4.603 50 0 DJAARN CCN(CC)c1ccc(NC(=O)c2ccccc2Cl)c(C)c1 ZINC000000364272 563245258 /nfs/dbraw/zinc/24/52/58/563245258.db2.gz MCQWHCNIQBNLOC-UHFFFAOYSA-N 0 0 316.832 4.747 50 0 DJAARN Cc1cccc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 ZINC000000363809 563245356 /nfs/dbraw/zinc/24/53/56/563245356.db2.gz KPVDXSAYEYFLHZ-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN Clc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000000367711 563245830 /nfs/dbraw/zinc/24/58/30/563245830.db2.gz GFBDWBMJQFRXLT-UHFFFAOYSA-N 0 0 308.562 4.911 50 0 DJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c(C)c1 ZINC000000365076 563245888 /nfs/dbraw/zinc/24/58/88/563245888.db2.gz WUFUITAORYEMGU-AWEZNQCLSA-N 0 0 317.816 4.671 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000000364925 563245971 /nfs/dbraw/zinc/24/59/71/563245971.db2.gz FALZSCNPRVOVBB-MRXNPFEDSA-N 0 0 319.404 4.863 50 0 DJAARN Cc1ccc2c(Cl)c(C(=O)NCc3cccs3)sc2c1 ZINC000000376144 563247195 /nfs/dbraw/zinc/24/71/95/563247195.db2.gz BVJSPGJQTKIKIC-UHFFFAOYSA-N 0 0 321.854 4.855 50 0 DJAARN CCc1cc(C)cc(OC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000000399646 563251008 /nfs/dbraw/zinc/25/10/08/563251008.db2.gz XKGJXWDWJRCMGW-UHFFFAOYSA-N 0 0 319.788 4.830 50 0 DJAARN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000000405233 563251460 /nfs/dbraw/zinc/25/14/60/563251460.db2.gz BXKWVPUKUFBGBS-CYBMUJFWSA-N 0 0 309.796 4.984 50 0 DJAARN C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)C2(CCCCCC2)O1 ZINC000000406075 563251712 /nfs/dbraw/zinc/25/17/12/563251712.db2.gz PSEHVYJCDAXIOK-ZDUSSCGKSA-N 0 0 322.836 4.643 50 0 DJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000441700 563254347 /nfs/dbraw/zinc/25/43/47/563254347.db2.gz IGMHETWOLFSSMT-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000000449328 563256057 /nfs/dbraw/zinc/25/60/57/563256057.db2.gz LBBDQRSVGFIIQV-UHFFFAOYSA-N 0 0 317.388 4.680 50 0 DJAARN CCOc1cc(C=O)ccc1OCc1cccc2ccccc21 ZINC000000450342 563256105 /nfs/dbraw/zinc/25/61/05/563256105.db2.gz PKWQOZITWKAABT-UHFFFAOYSA-N 0 0 306.361 4.630 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000000451043 563256257 /nfs/dbraw/zinc/25/62/57/563256257.db2.gz MHYZMNZJIXLYHQ-UHFFFAOYSA-N 0 0 315.731 4.991 50 0 DJAARN CCc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000000450114 563256277 /nfs/dbraw/zinc/25/62/77/563256277.db2.gz HLLUVBJQFYTHKM-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccccc1Cl ZINC000000453126 563256837 /nfs/dbraw/zinc/25/68/37/563256837.db2.gz ICZWQLAMGGXSMS-LLVKDONJSA-N 0 0 318.779 4.852 50 0 DJAARN Cc1cc(OCC(=O)Nc2ccc(Cl)cc2C)ccc1Cl ZINC000000455285 563257217 /nfs/dbraw/zinc/25/72/17/563257217.db2.gz VBIONWWTNWBJBN-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN COc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1Cl ZINC000000458382 563258424 /nfs/dbraw/zinc/25/84/24/563258424.db2.gz XEBCCEALLSVLAP-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN O=C(COC(=O)c1ccccc1Cl)c1ccc2ccccc2c1 ZINC000000460693 563258479 /nfs/dbraw/zinc/25/84/79/563258479.db2.gz XFDHSQKJSVVKKH-UHFFFAOYSA-N 0 0 324.763 4.533 50 0 DJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 ZINC000000459991 563258481 /nfs/dbraw/zinc/25/84/81/563258481.db2.gz PQVFSJHSJJWGRX-LBPRGKRZSA-N 0 0 311.878 4.660 50 0 DJAARN Cc1cc(C)c(C)c(COc2ccc3c(C)cc(=O)oc3c2)c1C ZINC000000459020 563258566 /nfs/dbraw/zinc/25/85/66/563258566.db2.gz HAWSZHBNKQANMU-UHFFFAOYSA-N 0 0 322.404 4.914 50 0 biogenic DJAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000000460833 563258582 /nfs/dbraw/zinc/25/85/82/563258582.db2.gz SNFUJJLJQMPMNW-UHFFFAOYSA-N 0 0 324.424 4.657 50 0 DJAARN CCc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000000461708 563259018 /nfs/dbraw/zinc/25/90/18/563259018.db2.gz DZVVIOKPFPBJCZ-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN Cc1cc(F)c(F)c(C(=O)N2CCCc3ccccc32)c1Cl ZINC000000463769 563259203 /nfs/dbraw/zinc/25/92/03/563259203.db2.gz ZBBZYVYMPPHRJA-UHFFFAOYSA-N 0 0 321.754 4.520 50 0 DJAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000000466947 563259609 /nfs/dbraw/zinc/25/96/09/563259609.db2.gz BIWXWSHSWFWFQH-UHFFFAOYSA-N 0 0 317.388 4.826 50 0 DJAARN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 ZINC000000464851 563259615 /nfs/dbraw/zinc/25/96/15/563259615.db2.gz YVYBISFMCJXQIQ-ATGUSINASA-N 0 0 309.409 4.861 50 0 DJAARN OCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000000469988 563260148 /nfs/dbraw/zinc/26/01/48/563260148.db2.gz PHPHEBQJSQQKSV-UHFFFAOYSA-N 0 0 317.599 4.718 50 0 DJAARN CCOc1ccccc1NC(=O)/C=C/c1c(F)cccc1Cl ZINC000000473569 563261363 /nfs/dbraw/zinc/26/13/63/563261363.db2.gz FXLDBLGPWKMLHV-ZHACJKMWSA-N 0 0 319.763 4.530 50 0 DJAARN COc1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1 ZINC000000474911 563261818 /nfs/dbraw/zinc/26/18/18/563261818.db2.gz LNHXZRNYFWPLNR-CMDGGOBGSA-N 0 0 322.191 4.654 50 0 DJAARN C[C@H](NC(=O)/C=C/c1c(Cl)cccc1Cl)c1ccccc1 ZINC000000476909 563262227 /nfs/dbraw/zinc/26/22/27/563262227.db2.gz OVFBIRHLPFLLPC-IIANPFDCSA-N 0 0 320.219 4.884 50 0 DJAARN Cc1ccc(Nc2cc(Nc3ccc(C)cc3)nc(C)n2)cc1 ZINC000000477924 563262358 /nfs/dbraw/zinc/26/23/58/563262358.db2.gz CBYKPBJEGPVJMF-UHFFFAOYSA-N 0 0 304.397 4.889 50 0 DJAARN CC(C)(C)c1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 ZINC000000477766 563262469 /nfs/dbraw/zinc/26/24/69/563262469.db2.gz JCJCTUZQOPMNKJ-UHFFFAOYSA-N 0 0 302.801 4.995 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)cc(C)c1 ZINC000000496744 563263354 /nfs/dbraw/zinc/26/33/54/563263354.db2.gz CJMMUTBCAHSPIR-UHFFFAOYSA-N 0 0 303.789 4.526 50 0 DJAARN CC[C@]1(C)Nc2ccccc2C(=O)N1c1ccc(C)c(Cl)c1 ZINC000000506999 563263491 /nfs/dbraw/zinc/26/34/91/563263491.db2.gz LPHLLKYLRFMLEH-GOSISDBHSA-N 0 0 314.816 4.847 50 0 DJAARN OC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000000494893 563263711 /nfs/dbraw/zinc/26/37/11/563263711.db2.gz QSLVYJZPTOWIRI-UHFFFAOYSA-N 0 0 320.232 4.806 50 0 DJAARN Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000000512873 563264042 /nfs/dbraw/zinc/26/40/42/563264042.db2.gz QGJYUZIDPWQKKN-UHFFFAOYSA-N 0 0 308.425 4.546 50 0 DJAARN O=C(Nc1ccccc1)N(Cc1cccs1)C1CCCC1 ZINC000000528858 563264771 /nfs/dbraw/zinc/26/47/71/563264771.db2.gz DQNHGNSGJKETDJ-UHFFFAOYSA-N 0 0 300.427 4.725 50 0 DJAARN O=C(Nc1ccccc1N1CCCCC1)c1cc2ccccc2o1 ZINC000000553355 563265988 /nfs/dbraw/zinc/26/59/88/563265988.db2.gz HQZGEOIOZIKYFB-UHFFFAOYSA-N 0 0 320.392 4.675 50 0 DJAARN COc1ccc(Cl)cc1-c1nc(-c2ccccc2Cl)no1 ZINC000000564284 563266661 /nfs/dbraw/zinc/26/66/61/563266661.db2.gz OUXFXWVJTSYRBJ-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN Cc1ccc(C(=O)CCNc2cccc(C(F)(F)F)c2)cc1 ZINC000000563208 563266665 /nfs/dbraw/zinc/26/66/65/563266665.db2.gz YIDFWEYRUNAGJI-UHFFFAOYSA-N 0 0 307.315 4.699 50 0 DJAARN CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000580716 563267596 /nfs/dbraw/zinc/26/75/96/563267596.db2.gz NNFOJTGRUZFKKT-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CN(C)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000612131 563268735 /nfs/dbraw/zinc/26/87/35/563268735.db2.gz UAWZDQYEKTTXCB-UHFFFAOYSA-N 0 0 324.211 4.703 50 0 DJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1nc(-c2cccnc2)no1 ZINC000000613992 563269443 /nfs/dbraw/zinc/26/94/43/563269443.db2.gz HCNWNMOBQLCCAP-CYBMUJFWSA-N 0 0 323.396 4.569 50 0 DJAARN COc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000000618285 563270618 /nfs/dbraw/zinc/27/06/18/563270618.db2.gz UHYRXGRCXHLVPA-UHFFFAOYSA-N 0 0 303.361 4.615 50 0 DJAARN O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000000732139 563271067 /nfs/dbraw/zinc/27/10/67/563271067.db2.gz SLHXPCYXOIMARZ-UHFFFAOYSA-N 0 0 317.175 4.659 50 0 DJAARN CSc1ccccc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000621621 563271136 /nfs/dbraw/zinc/27/11/36/563271136.db2.gz TWNJCUOBJMLXPL-UHFFFAOYSA-N 0 0 310.781 4.845 50 0 DJAARN O[C@@H](C[C@@H](Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000000977146 563273276 /nfs/dbraw/zinc/27/32/76/563273276.db2.gz UTTCNVQWHANTRK-RTWAWAEBSA-N 0 0 303.405 4.964 50 0 DJAARN O=C1c2ccccc2CC1(Cc1ccccc1)Cc1ccccc1 ZINC000000990195 563273562 /nfs/dbraw/zinc/27/35/62/563273562.db2.gz JZMBVKOYRYPAEE-UHFFFAOYSA-N 0 0 312.412 4.897 50 0 DJAARN Cc1ccccc1NC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001013597 563274525 /nfs/dbraw/zinc/27/45/25/563274525.db2.gz TWBFFFYWUOSSIU-UHFFFAOYSA-N 0 0 323.436 4.894 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)CC(C)(C)C ZINC000001049262 563276045 /nfs/dbraw/zinc/27/60/45/563276045.db2.gz MRHPPSFQRJEQQC-UHFFFAOYSA-N 0 0 314.429 4.595 50 0 DJAARN C[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000001150784 563277893 /nfs/dbraw/zinc/27/78/93/563277893.db2.gz YLEDWMYWUPHWTI-SFHVURJKSA-N 0 0 321.464 4.662 50 0 DJAARN CC(C)C(NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(C)C ZINC000001146499 563277896 /nfs/dbraw/zinc/27/78/96/563277896.db2.gz YVNPAJNLCVPLBH-JLHYYAGUSA-N 0 0 301.474 4.794 50 0 DJAARN C=Cc1ccc(COc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 ZINC000001164447 563278674 /nfs/dbraw/zinc/27/86/74/563278674.db2.gz RBPGDAKYOKQYSX-UHFFFAOYSA-N 0 0 320.388 4.940 50 0 DJAARN C[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001426265 563283620 /nfs/dbraw/zinc/28/36/20/563283620.db2.gz IVMITCRHGHQSAG-NSHDSACASA-N 0 0 308.208 4.527 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)CCCOc1ccccc1C ZINC000001772533 563295126 /nfs/dbraw/zinc/29/51/26/563295126.db2.gz NAXYHYJTKLHDCT-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN C[C@H]1CCC[C@H](C)N1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001752711 563295249 /nfs/dbraw/zinc/29/52/49/563295249.db2.gz BDONOGBTLDLGJK-QWRGUYRKSA-N 0 0 300.324 4.500 50 0 DJAARN CCCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2C)cc1 ZINC000001777902 563295749 /nfs/dbraw/zinc/29/57/49/563295749.db2.gz IUHVGFXPEMFYRG-JLHYYAGUSA-N 0 0 309.409 4.744 50 0 DJAARN O=C1NC2(CCCCCCCCCCC2)Oc2ccccc21 ZINC000002068726 563299129 /nfs/dbraw/zinc/29/91/29/563299129.db2.gz FWBDLBGKDOBNDF-UHFFFAOYSA-N 0 0 301.430 4.810 50 0 DJAARN CCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000002083752 563299566 /nfs/dbraw/zinc/29/95/66/563299566.db2.gz RYVDGRVJSAHXNY-UHFFFAOYSA-N 0 0 322.408 4.805 50 0 DJAARN CCCCOC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002079585 563299602 /nfs/dbraw/zinc/29/96/02/563299602.db2.gz GGWDGUHJHSEXEC-UHFFFAOYSA-N 0 0 311.406 4.920 50 0 DJAARN O=C(C[C@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000002155161 563300854 /nfs/dbraw/zinc/30/08/54/563300854.db2.gz FBSAPBMBVZHFQT-LJQANCHMSA-N 0 0 302.373 4.797 50 0 DJAARN C[C@@H]1CCCC[C@H]1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002170991 563300964 /nfs/dbraw/zinc/30/09/64/563300964.db2.gz BGFQVRPQANKBJL-ZWNOBZJWSA-N 0 0 301.308 4.833 50 0 DJAARN CCOC(=O)CCCCCCC(=O)c1cccc2ccccc21 ZINC000002378947 563302726 /nfs/dbraw/zinc/30/27/26/563302726.db2.gz HESSMGIRCGDOPS-UHFFFAOYSA-N 0 0 312.409 4.926 50 0 DJAARN Clc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002455203 563303863 /nfs/dbraw/zinc/30/38/63/563303863.db2.gz INLZGZMAUAHURP-UHFFFAOYSA-N 0 0 305.768 4.741 50 0 in-vivo DJAARN Cc1n[nH]c(C)c1CCCCCCOc1cc(C)ccc1C ZINC000002494102 563304620 /nfs/dbraw/zinc/30/46/20/563304620.db2.gz FXOQHWXUVVOTGT-UHFFFAOYSA-N 0 0 300.446 4.825 50 0 DJAARN Cc1ccccc1CCC(=O)c1ccc(Br)cc1F ZINC000002516393 563306057 /nfs/dbraw/zinc/30/60/57/563306057.db2.gz SDMMFGOMNLYGEM-UHFFFAOYSA-N 0 0 321.189 4.712 50 0 DJAARN Cc1cccc(C(=O)CCc2cccc(Br)c2)c1 ZINC000002516694 563306588 /nfs/dbraw/zinc/30/65/88/563306588.db2.gz CMEPSPUPHSTMEA-UHFFFAOYSA-N 0 0 303.199 4.573 50 0 DJAARN CSc1ccccc1CCC(=O)c1ccccc1SC ZINC000002516605 563306728 /nfs/dbraw/zinc/30/67/28/563306728.db2.gz DRHFJUJINAHTJH-UHFFFAOYSA-N 0 0 302.464 4.946 50 0 DJAARN CC(C)c1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 ZINC000002518099 563307302 /nfs/dbraw/zinc/30/73/02/563307302.db2.gz IVVAAMACGNWBBL-UHFFFAOYSA-N 0 0 304.430 4.562 50 0 DJAARN Cc1cccc(C)c1CCC(=O)c1ccc(Br)cc1 ZINC000002517591 563307337 /nfs/dbraw/zinc/30/73/37/563307337.db2.gz ZUQKXOQYKGRVMF-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 ZINC000002571613 563309879 /nfs/dbraw/zinc/30/98/79/563309879.db2.gz NRCCJTCOSQFWPX-WYMLVPIESA-N 0 0 303.361 4.907 50 0 DJAARN CCOC(=O)CCCCCCC(=O)c1ccc(C(C)C)cc1 ZINC000002580367 563310263 /nfs/dbraw/zinc/31/02/63/563310263.db2.gz YSVLJGKCWPEOMH-UHFFFAOYSA-N 0 0 304.430 4.896 50 0 DJAARN Cc1cc(C)cc(OC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000002596983 563310390 /nfs/dbraw/zinc/31/03/90/563310390.db2.gz SGRLDQHZEXBXQT-UHFFFAOYSA-N 0 0 318.800 4.558 50 0 DJAARN CCOC(=O)CCCCCC(=O)c1ccc(Cl)cc1Cl ZINC000002580341 563310689 /nfs/dbraw/zinc/31/06/89/563310689.db2.gz BEUTXVJYDKAJEZ-UHFFFAOYSA-N 0 0 317.212 4.690 50 0 DJAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000002771316 563313143 /nfs/dbraw/zinc/31/31/43/563313143.db2.gz HYCOHMJLZWBWEN-UHFFFAOYSA-N 0 0 324.207 4.791 50 0 DJAARN CCCC[C@@H](CC)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000002772639 563313160 /nfs/dbraw/zinc/31/31/60/563313160.db2.gz WKESHOCJUGJZOM-GFCCVEGCSA-N 0 0 309.479 4.741 50 0 DJAARN O=C(CCc1ccccc1)N[C@H](c1ccccc1)C1CCCC1 ZINC000002835304 563314131 /nfs/dbraw/zinc/31/41/31/563314131.db2.gz IKUJJTSGFVYLDO-OAQYLSRUSA-N 0 0 307.437 4.667 50 0 DJAARN Cc1ccc(Nc2nc(-c3ccncc3)cs2)cc1Cl ZINC000002861088 563315372 /nfs/dbraw/zinc/31/53/72/563315372.db2.gz LFLKZJWYYHFKQB-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN CC(C)(C)c1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000002882890 563316943 /nfs/dbraw/zinc/31/69/43/563316943.db2.gz NTDSLQBBHQUGSL-UHFFFAOYSA-N 0 0 308.381 4.613 50 0 DJAARN CCC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002881179 563317074 /nfs/dbraw/zinc/31/70/74/563317074.db2.gz HTQOOFJVTGBYOO-CYBMUJFWSA-N 0 0 308.381 4.870 50 0 DJAARN COc1ccc(OCCCCOc2cc(C)ccc2C)cc1 ZINC000002904850 563317616 /nfs/dbraw/zinc/31/76/16/563317616.db2.gz AVDBWXYMOVXECY-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN CCCCOc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000002939854 563318075 /nfs/dbraw/zinc/31/80/75/563318075.db2.gz GFNQEHSZXOAIAO-UHFFFAOYSA-N 0 0 308.381 4.891 50 0 DJAARN CCCCOc1ccc(C(=O)Nc2ccccc2OCC)cc1 ZINC000002953835 563318133 /nfs/dbraw/zinc/31/81/33/563318133.db2.gz CMGAZUSSAKLZOO-UHFFFAOYSA-N 0 0 313.397 4.517 50 0 DJAARN COc1cc(C)ccc1OCCCCOc1ccc(C)cc1 ZINC000002984258 563318606 /nfs/dbraw/zinc/31/86/06/563318606.db2.gz YTKCTQAXIOUMKX-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN Cc1cccc(OCCCOc2cccc3cccnc32)c1C ZINC000002983995 563318985 /nfs/dbraw/zinc/31/89/85/563318985.db2.gz KZCRYVKPDRVQCO-UHFFFAOYSA-N 0 0 307.393 4.700 50 0 DJAARN CCOc1cccc(OCCCCOc2ccccc2Cl)c1 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O=C(Nc1cccc(OC2CCCC2)c1)c1cc2ccccc2[nH]1 ZINC000029360775 563433482 /nfs/dbraw/zinc/43/34/82/563433482.db2.gz LPHRIFWHDDXJFU-UHFFFAOYSA-N 0 0 320.392 4.742 50 0 DJAARN Cc1ccc(SCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000029318471 563433918 /nfs/dbraw/zinc/43/39/18/563433918.db2.gz AHVNADIGYCQDIA-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000003095992 563439847 /nfs/dbraw/zinc/43/98/47/563439847.db2.gz BLXLGFGMKWSFEC-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN Fc1cccc(-c2noc(CCCc3c[nH]c4ccccc34)n2)c1 ZINC000032593059 563442417 /nfs/dbraw/zinc/44/24/17/563442417.db2.gz KRLBLFNVXXKGEO-UHFFFAOYSA-N 0 0 321.355 4.532 50 0 DJAARN Cc1nc(C(=O)Nc2ccc(C)cc2)c(-c2ccccc2)s1 ZINC000032593605 563442811 /nfs/dbraw/zinc/44/28/11/563442811.db2.gz MFYBNTRDRJIFME-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN Cc1ccc(C2(O)C=CC(C)(C(Cl)(Cl)Cl)C=C2)cc1 ZINC000000251325 563447534 /nfs/dbraw/zinc/44/75/34/563447534.db2.gz PHDXDCZFTBEPHD-UHFFFAOYSA-N 0 0 317.643 4.685 50 0 DJAARN CC(C)(C)C1(C)N=C(c2ccccc2)OC(c2ccccc2)=N1 ZINC000002816546 563449074 /nfs/dbraw/zinc/44/90/74/563449074.db2.gz VQPIIGJDEAEJBW-UHFFFAOYSA-N 0 0 306.409 4.673 50 0 DJAARN CC(C)c1ccc(OCCOc2cccc3cccnc32)cc1 ZINC000002985366 563449672 /nfs/dbraw/zinc/44/96/72/563449672.db2.gz OZMZIZFDTZBERH-UHFFFAOYSA-N 0 0 307.393 4.816 50 0 DJAARN Cc1ccc([C@@H]2CCCCCN2C(=O)NCCC(C)C)s1 ZINC000035561835 563453521 /nfs/dbraw/zinc/45/35/21/563453521.db2.gz PPBCYQSSOGAWIF-HNNXBMFYSA-N 0 0 308.491 4.729 50 0 DJAARN O=C(NC1CCCCC1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000035561609 563453538 /nfs/dbraw/zinc/45/35/38/563453538.db2.gz PNCSACDWLNHMNF-SFHVURJKSA-N 0 0 318.436 4.785 50 0 DJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000036620858 563455889 /nfs/dbraw/zinc/45/58/89/563455889.db2.gz AHTJTDJXKCTNEF-LJQANCHMSA-N 0 0 324.424 4.681 50 0 DJAARN Cc1oc2ncnc(Oc3cccc(C(F)(F)F)c3)c2c1C ZINC000032996728 563460249 /nfs/dbraw/zinc/46/02/49/563460249.db2.gz DOVKLFQAXHKRQE-UHFFFAOYSA-N 0 0 308.259 4.651 50 0 DJAARN CCCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000033004033 563461249 /nfs/dbraw/zinc/46/12/49/563461249.db2.gz OXBHRKDMHVBITH-UHFFFAOYSA-N 0 0 314.772 4.887 50 0 DJAARN COc1ccccc1-c1nc(CSc2ccncc2)cs1 ZINC000119243324 563461348 /nfs/dbraw/zinc/46/13/48/563461348.db2.gz DHGADPVJRVIJTQ-UHFFFAOYSA-N 0 0 314.435 4.506 50 0 DJAARN CCc1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000033004150 563461605 /nfs/dbraw/zinc/46/16/05/563461605.db2.gz NWWPZQPJMQVDOA-NSHDSACASA-N 0 0 300.789 4.919 50 0 DJAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1 ZINC000013545421 563466294 /nfs/dbraw/zinc/46/62/94/563466294.db2.gz YFBGSSUAQFXIQK-OAHLLOKOSA-N 0 0 310.466 4.684 50 0 DJAARN Cc1ccsc1CN(C/C=C/c1ccco1)Cc1ccccn1 ZINC000055344715 563474245 /nfs/dbraw/zinc/47/42/45/563474245.db2.gz ZEXOFKZDSQHYEI-QPJJXVBHSA-N 0 0 324.449 4.760 50 0 DJAARN CCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000055450192 563475601 /nfs/dbraw/zinc/47/56/01/563475601.db2.gz XZBGVWXVDNDYBH-DYXWJJEUSA-N 0 0 307.437 4.790 50 0 DJAARN Cc1cc(C)c(S(=O)(=O)Oc2cccc(C(C)C)c2)c(C)c1 ZINC000033047980 563477064 /nfs/dbraw/zinc/47/70/64/563477064.db2.gz TWMPBKPQIFOMPP-UHFFFAOYSA-N 0 0 318.438 4.503 50 0 DJAARN CC(C)Cc1cc(-c2nc3ccccc3[nH]2)c2ccccc2n1 ZINC000004625414 563477919 /nfs/dbraw/zinc/47/79/19/563477919.db2.gz PLTZFUZWZIELRQ-UHFFFAOYSA-N 0 0 301.393 4.977 50 0 DJAARN CSc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984468 563486978 /nfs/dbraw/zinc/48/69/78/563486978.db2.gz IOQKFYZZMNQUBQ-KRWDZBQOSA-N 0 0 316.470 4.857 50 0 DJAARN CC[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccn1 ZINC000067513553 563487934 /nfs/dbraw/zinc/48/79/34/563487934.db2.gz JIGMMFSIFORONQ-IBGZPJMESA-N 0 0 316.404 4.630 50 0 DJAARN CC(=O)c1cc(CN(Cc2ccco2)[C@H](C)C(C)C)cs1 ZINC000067934606 563494280 /nfs/dbraw/zinc/49/42/80/563494280.db2.gz KDLLPYBXVVECHQ-CYBMUJFWSA-N 0 0 305.443 4.590 50 0 DJAARN O=C1C[C@H](c2cccc(Cl)c2)c2cnn(C3CCCC3)c2N1 ZINC000071283027 563498594 /nfs/dbraw/zinc/49/85/94/563498594.db2.gz QSEVYEVVUFDQAT-CQSZACIVSA-N 0 0 315.804 4.775 50 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308.303 4.966 50 0 DJAARN CCc1ccc(-c2nc3ccc(NC(=O)C(C)C)cc3o2)cc1 ZINC000098086867 563544118 /nfs/dbraw/zinc/54/41/18/563544118.db2.gz RPQNXNVSYGBFTM-UHFFFAOYSA-N 0 0 308.381 4.652 50 0 DJAARN c1ccc(C2=N[C@H](c3ccccc3)N3[C@@H]2[C@H]3c2ccccc2)cc1 ZINC000101510822 563557995 /nfs/dbraw/zinc/55/79/95/563557995.db2.gz GYTWZWMAZNKVQZ-PQSRQHIVSA-N 0 0 310.400 4.614 50 0 DJAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(C)(C)C ZINC000014257892 563565585 /nfs/dbraw/zinc/56/55/85/563565585.db2.gz WSRQPVCOTAOQIV-UHFFFAOYSA-N 0 0 307.397 4.523 50 0 DJAARN Clc1ccc([C@H]2NN=C(c3ccccc3)S2)c(Cl)c1 ZINC000003158030 563568276 /nfs/dbraw/zinc/56/82/76/563568276.db2.gz AIOYDHDVQCVGHF-AWEZNQCLSA-N 0 0 309.221 4.690 50 0 DJAARN CC(C)Oc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1 ZINC000033417813 563568396 /nfs/dbraw/zinc/56/83/96/563568396.db2.gz RRVCLPVAZSCUMH-POHAHGRESA-N 0 0 305.377 4.898 50 0 DJAARN CCN(CC)C(=O)c1ccc(C(C)(C)C)cc1-c1cccnc1 ZINC000072233701 563568584 /nfs/dbraw/zinc/56/85/84/563568584.db2.gz 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YGGMBDPTHZZGLQ-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN Cc1c(Cl)cccc1-n1ncnc1-c1cccc(Cl)c1 ZINC000000180960 563575719 /nfs/dbraw/zinc/57/57/19/563575719.db2.gz KUFRIHBGCKFHJM-UHFFFAOYSA-N 0 0 304.180 4.550 50 0 DJAARN Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3F)o2)cc1 ZINC000011690414 563576560 /nfs/dbraw/zinc/57/65/60/563576560.db2.gz FVCAQJHPSUFPRA-UHFFFAOYSA-N 0 0 323.367 4.965 50 0 DJAARN Fc1ccc(Br)cc1-c1ccnc(C(F)F)c1 ZINC000725273508 563579325 /nfs/dbraw/zinc/57/93/25/563579325.db2.gz HWXTXIJPTJTVJB-UHFFFAOYSA-N 0 0 302.093 4.588 50 0 DJAARN COc1ccccc1OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000230473 563579913 /nfs/dbraw/zinc/57/99/13/563579913.db2.gz AJXMJFNRLNIQGW-UHFFFAOYSA-N 0 0 318.372 4.624 50 0 DJAARN O=C1CS[C@H](c2ccccc2Cl)N1c1cccc(Cl)c1 ZINC000000240216 563580675 /nfs/dbraw/zinc/58/06/75/563580675.db2.gz PDTFUFNKAWDNJO-OAHLLOKOSA-N 0 0 324.232 4.772 50 0 DJAARN Cc1ccc(NC(=O)c2cccs2)c(C(=O)c2ccccc2)c1 ZINC000000259152 563582852 /nfs/dbraw/zinc/58/28/52/563582852.db2.gz JAXKBLSNOFGKEQ-UHFFFAOYSA-N 0 0 321.401 4.540 50 0 DJAARN COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000258807 563583199 /nfs/dbraw/zinc/58/31/99/563583199.db2.gz POGVXUHDUOZLBN-JXMROGBWSA-N 0 0 322.191 4.654 50 0 biogenic DJAARN CCc1cccc(C)c1NC(=S)N1CC[C@H](c2ccccc2)C1 ZINC000000263632 563583446 /nfs/dbraw/zinc/58/34/46/563583446.db2.gz WUKRLRMDOSXBBG-SFHVURJKSA-N 0 0 324.493 4.744 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccccc2)c(-n2cccc2)c1C ZINC000000263989 563583762 /nfs/dbraw/zinc/58/37/62/563583762.db2.gz KKIRMGVUZNVNSF-UHFFFAOYSA-N 0 0 305.381 4.738 50 0 DJAARN O=c1oc2ccccc2cc1-c1nc(-c2cccs2)cs1 ZINC000000278876 563584200 /nfs/dbraw/zinc/58/42/00/563584200.db2.gz DTXBVDKKHHMUFH-UHFFFAOYSA-N 0 0 311.387 4.645 50 0 aggregator DJAARN C[C@]12Cc3ccccc3O[C@@]1(c1ccccc1)C2(Cl)Cl ZINC000000273292 563584220 /nfs/dbraw/zinc/58/42/20/563584220.db2.gz PAXGGYNLIQMCDG-JKSUJKDBSA-N 0 0 305.204 4.711 50 0 DJAARN C[C@H](C(=O)Nc1nc2ccc(Cl)cc2s1)c1ccccc1 ZINC000000380436 563591441 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/nfs/dbraw/zinc/61/32/71/563613271.db2.gz DWINMRPCTAGTKW-UHFFFAOYSA-N 0 0 324.449 4.700 50 0 DJAARN Cc1cccc(NC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)c1 ZINC000075346779 563616657 /nfs/dbraw/zinc/61/66/57/563616657.db2.gz KFGFWFFVGIVLGX-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN C/C1=C\CC/C(C)=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC1 ZINC000034045609 563619705 /nfs/dbraw/zinc/61/97/05/563619705.db2.gz RIVKDDXPCFBMOV-YQXVXCPCSA-N 0 0 306.490 4.783 50 0 in-vitro DJAARN CCCCOc1nnc(-c2ccc(OCC)cc2)c2ccccc21 ZINC000002229390 563619744 /nfs/dbraw/zinc/61/97/44/563619744.db2.gz PCENNAZBVBBHDQ-UHFFFAOYSA-N 0 0 322.408 4.874 50 0 DJAARN O=C(c1ccccc1F)N1c2ccccc2CCc2ccccc21 ZINC000000173800 563628040 /nfs/dbraw/zinc/62/80/40/563628040.db2.gz CQAHUGWTXLAVGB-UHFFFAOYSA-N 0 0 317.363 4.903 50 0 DJAARN Clc1c(C(Cl)(Cl)Cl)nsc1N1CCCCC1 ZINC000000275200 563629230 /nfs/dbraw/zinc/62/92/30/563629230.db2.gz IXONEFLPCMNSRT-UHFFFAOYSA-N 0 0 320.072 4.614 50 0 DJAARN O=C(CSc1ccc2ccccc2n1)c1ccc(Cl)cc1 ZINC000000291354 563629456 /nfs/dbraw/zinc/62/94/56/563629456.db2.gz FQEZMMTXHOVILX-UHFFFAOYSA-N 0 0 313.809 4.863 50 0 DJAARN COc1ccc(CC[C@H](C)Nc2cccc(SC)c2)cc1 ZINC000000431470 563630393 /nfs/dbraw/zinc/63/03/93/563630393.db2.gz JBFNRZAXVFYVOB-AWEZNQCLSA-N 0 0 301.455 4.850 50 0 DJAARN CCCc1cc(=O)oc2c(C)c(OCc3ccccc3)ccc12 ZINC000000454134 563630824 /nfs/dbraw/zinc/63/08/24/563630824.db2.gz UXHLXQXWFYGORL-UHFFFAOYSA-N 0 0 308.377 4.633 50 0 DJAARN O=C(c1ccsc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206879477 563639726 /nfs/dbraw/zinc/63/97/26/563639726.db2.gz STOVVSPHRJOSKX-AWEZNQCLSA-N 0 0 319.857 4.811 50 0 DJAARN COc1ccc(-c2cc(C)nc(-c3ccc(OC)cc3)c2)cc1 ZINC000000493896 563650073 /nfs/dbraw/zinc/65/00/73/563650073.db2.gz RAZUSBFYCWLYTP-UHFFFAOYSA-N 0 0 305.377 4.741 50 0 DJAARN C/C=C/C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C ZINC000000500521 563653381 /nfs/dbraw/zinc/65/33/81/563653381.db2.gz CHOIAKHIWWDUGT-YIANJXEMSA-N 0 0 306.409 4.541 50 0 DJAARN CCOc1ccc([C@@H]2C(=O)c3ccccc3N[C@@]2(C)CC)cc1 ZINC000000506957 563656855 /nfs/dbraw/zinc/65/68/55/563656855.db2.gz CUITZSNUTQLARM-QUCCMNQESA-N 0 0 309.409 4.646 50 0 DJAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000102654353 563661260 /nfs/dbraw/zinc/66/12/60/563661260.db2.gz CJRHBBXAQUDCOJ-IBGZPJMESA-N 0 0 315.376 4.708 50 0 DJAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccncc1 ZINC000102702631 563661621 /nfs/dbraw/zinc/66/16/21/563661621.db2.gz FDJJWZQNALAOBW-LJQANCHMSA-N 0 0 319.408 4.953 50 0 DJAARN Cc1noc2c1[C@@H](c1ccsc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102736871 563662004 /nfs/dbraw/zinc/66/20/04/563662004.db2.gz RFEACGMCLNECHW-CQSZACIVSA-N 0 0 314.410 4.895 50 0 DJAARN CC[C@]1(C)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21 ZINC000000521393 563664082 /nfs/dbraw/zinc/66/40/82/563664082.db2.gz AUEWKWSWSOPFQW-OAQYLSRUSA-N 0 0 317.388 4.593 50 0 DJAARN Cc1ccc([C@@H]2SC(=O)N=C3c4ccccc4C(=O)C32)cc1C ZINC000000531798 563666237 /nfs/dbraw/zinc/66/62/37/563666237.db2.gz HLZKRMYEALGIAJ-SFHVURJKSA-N 0 0 321.401 4.983 50 0 DJAARN CC[C@H](C)n1c(-c2ccccc2)nc2nc3ccccc3nc21 ZINC000000535767 563667152 /nfs/dbraw/zinc/66/71/52/563667152.db2.gz KRHLMSOOSOGQEU-ZDUSSCGKSA-N 0 0 302.381 4.618 50 0 DJAARN CCOc1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1 ZINC000000539469 563667690 /nfs/dbraw/zinc/66/76/90/563667690.db2.gz QTMIATSCPAUCQK-GFCCVEGCSA-N 0 0 315.438 4.524 50 0 DJAARN CC(C)COc1ccc(C(=O)Nc2cccc3cccnc32)cc1 ZINC000000556531 563670369 /nfs/dbraw/zinc/67/03/69/563670369.db2.gz JPTQVERISFKFBA-UHFFFAOYSA-N 0 0 320.392 4.522 50 0 DJAARN CC(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000000557369 563670822 /nfs/dbraw/zinc/67/08/22/563670822.db2.gz GGHOMNBRGPUCPS-UHFFFAOYSA-N 0 0 302.333 4.606 50 0 DJAARN Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1F ZINC000015084693 563673576 /nfs/dbraw/zinc/67/35/76/563673576.db2.gz GHQNBXNUNXUNOO-UHFFFAOYSA-N 0 0 310.372 4.577 50 0 DJAARN CCOc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1 ZINC000012157553 563681145 /nfs/dbraw/zinc/68/11/45/563681145.db2.gz LAVSWOBASRGWFW-UHFFFAOYSA-N 0 0 315.438 4.597 50 0 DJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000046018353 563691684 /nfs/dbraw/zinc/69/16/84/563691684.db2.gz HUHNWIHLQFUEHX-IBGZPJMESA-N 0 0 324.424 4.763 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)cc1C ZINC000046018512 563691766 /nfs/dbraw/zinc/69/17/66/563691766.db2.gz ISKXAYQVKPSQDR-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(C)cc1 ZINC000046018331 563691813 /nfs/dbraw/zinc/69/18/13/563691813.db2.gz YOCADHACQKVUAB-SFHVURJKSA-N 0 0 324.424 4.763 50 0 DJAARN COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000048078663 563693295 /nfs/dbraw/zinc/69/32/95/563693295.db2.gz PGOIXLQBGYLGTH-IBGZPJMESA-N 0 0 324.424 4.510 50 0 DJAARN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccsc1 ZINC000048236055 563694090 /nfs/dbraw/zinc/69/40/90/563694090.db2.gz IELQUZRZDKASHV-GOSISDBHSA-N 0 0 311.450 4.604 50 0 DJAARN c1cc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)cs1 ZINC000048308770 563695853 /nfs/dbraw/zinc/69/58/53/563695853.db2.gz PGWTYFHNNXBYAD-QGZVFWFLSA-N 0 0 310.422 4.740 50 0 DJAARN Cn1cc(CC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000048312368 563696458 /nfs/dbraw/zinc/69/64/58/563696458.db2.gz RNERMQLLYJMISS-UHFFFAOYSA-N 0 0 320.436 4.657 50 0 DJAARN Cc1nc(S[C@@H](C)c2nc(C(C)C)no2)n(CC(C)C)c1C ZINC000048325864 563696547 /nfs/dbraw/zinc/69/65/47/563696547.db2.gz NREUFQIXPDOAOH-ZDUSSCGKSA-N 0 0 322.478 4.516 50 0 DJAARN CC(C)c1ccc(/C=C/c2nnc3c4ccccc4ncn23)cc1 ZINC000006840215 563705412 /nfs/dbraw/zinc/70/54/12/563705412.db2.gz DFVLGJDZHUQTQQ-FMIVXFBMSA-N 0 0 314.392 4.571 50 0 DJAARN Cc1cc2ccccc2n1CC(=O)Nc1cccc(Cl)c1C ZINC000006964445 563710541 /nfs/dbraw/zinc/71/05/41/563710541.db2.gz KVNISCNDXFYUEJ-UHFFFAOYSA-N 0 0 312.800 4.550 50 0 DJAARN O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCCCC1 ZINC000000800873 563716618 /nfs/dbraw/zinc/71/66/18/563716618.db2.gz PSYDXQSIRNUEFH-UHFFFAOYSA-N 0 0 324.207 4.880 50 0 DJAARN CSc1ccccc1C(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390831241 563720019 /nfs/dbraw/zinc/72/00/19/563720019.db2.gz QPNWCOOJJCXMPP-UHFFFAOYSA-N 0 0 323.417 4.599 50 0 DJAARN CC(C)c1ccc([C@H](C)NC(=O)c2cc3ccccn3c2)cc1 ZINC000033138730 563724116 /nfs/dbraw/zinc/72/41/16/563724116.db2.gz FBMYVHIYHYQALB-HNNXBMFYSA-N 0 0 306.409 4.554 50 0 DJAARN c1coc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000226982024 563770337 /nfs/dbraw/zinc/77/03/37/563770337.db2.gz WATHMQJGGGQOJJ-XLIONFOSSA-N 0 0 316.360 4.522 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253497549 563784370 /nfs/dbraw/zinc/78/43/70/563784370.db2.gz AURFZBICLPNKBZ-YRWKUUEZSA-N 0 0 318.501 4.595 50 0 biogenic DJAARN Cc1ccc(CCC(=O)Nc2ccccc2Cl)cc1Cl ZINC000012459914 563785292 /nfs/dbraw/zinc/78/52/92/563785292.db2.gz FMCLCYAAXYPPAS-UHFFFAOYSA-N 0 0 308.208 4.873 50 0 DJAARN c1coc(-c2nnc(-c3ccc4ccccc4c3)c3conc32)c1 ZINC000000987980 563785872 /nfs/dbraw/zinc/78/58/72/563785872.db2.gz MQKMWKPGNYGROB-UHFFFAOYSA-N 0 0 313.316 4.698 50 0 DJAARN O=C1[C@@H](Cc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000001019833 563786728 /nfs/dbraw/zinc/78/67/28/563786728.db2.gz OAJDVBJWASMZHT-SFTDATJTSA-N 0 0 313.400 4.633 50 0 DJAARN O=C1S/C(=C\c2ccc(Cl)s2)C(=O)N1c1ccccc1 ZINC000001018358 563787047 /nfs/dbraw/zinc/78/70/47/563787047.db2.gz OLFSCTBHNKGYAI-FLIBITNWSA-N 0 0 321.810 4.642 50 0 DJAARN Cc1ccc(OCCCC(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000001913974 563796917 /nfs/dbraw/zinc/79/69/17/563796917.db2.gz FYDLFVMDLBUGFJ-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN CCCCCc1ccc(-c2ccc(Br)c(N)c2)nc1 ZINC000003215865 563798860 /nfs/dbraw/zinc/79/88/60/563798860.db2.gz GVDZJJSTSNIKEK-UHFFFAOYSA-N 0 0 319.246 4.826 50 0 DJAARN CC1CCN(c2ccc(C(F)F)cc2Br)CC1 ZINC000230544149 563799779 /nfs/dbraw/zinc/79/97/79/563799779.db2.gz ASNCZVJUAGDBSH-UHFFFAOYSA-N 0 0 304.178 4.623 50 0 DJAARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC21OCCO1 ZINC000004025806 563807707 /nfs/dbraw/zinc/80/77/07/563807707.db2.gz LPIHDSBQLYQECR-MUJBESKKSA-N 0 0 316.485 4.938 50 0 biogenic DJAARN O=C(CCc1ccsc1)Nc1cc(Cl)cc(Cl)c1 ZINC000012698773 563812501 /nfs/dbraw/zinc/81/25/01/563812501.db2.gz QVGRFUJNBYQXSF-UHFFFAOYSA-N 0 0 300.210 4.626 50 0 DJAARN Cc1cc(C)c(CSc2nnc(-c3ccco3)o2)c(C)c1 ZINC000001392799 563817344 /nfs/dbraw/zinc/81/73/44/563817344.db2.gz WAABSAGHKPZROK-UHFFFAOYSA-N 0 0 300.383 4.547 50 0 DJAARN CSc1nc2ccsc2c(Oc2ccc(Cl)cc2)n1 ZINC000001398452 563818118 /nfs/dbraw/zinc/81/81/18/563818118.db2.gz XGPQMRNTZNGMQV-UHFFFAOYSA-N 0 0 308.815 4.859 50 0 DJAARN O=C(Nc1sccc1OCc1ccccc1)Nc1ccccc1 ZINC000001396547 563818170 /nfs/dbraw/zinc/81/81/70/563818170.db2.gz PUNXFTMMNXDMBZ-UHFFFAOYSA-N 0 0 324.405 4.971 50 0 DJAARN COc1cccc2cc([C@@H](C)OC(=O)NC3CCCCC3)oc21 ZINC000001406559 563819546 /nfs/dbraw/zinc/81/95/46/563819546.db2.gz SRAGGRPZUCXXJF-GFCCVEGCSA-N 0 0 317.385 4.561 50 0 DJAARN CC(C)(C)c1ccc(OCc2nc(-c3cccs3)no2)cc1 ZINC000001420892 563822991 /nfs/dbraw/zinc/82/29/91/563822991.db2.gz MCHCXEJVZQRSPR-UHFFFAOYSA-N 0 0 314.410 4.675 50 0 DJAARN O=C(Nc1cnc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC000012754789 563825012 /nfs/dbraw/zinc/82/50/12/563825012.db2.gz RCPKWUAOHALLBA-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)N=C(C)c1ccccc1S2 ZINC000004929258 563826168 /nfs/dbraw/zinc/82/61/68/563826168.db2.gz CBNGGGZCRHBKIW-GFCCVEGCSA-N 0 0 324.449 4.820 50 0 DJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N=C(C)c1ccccc1S2 ZINC000004929263 563826577 /nfs/dbraw/zinc/82/65/77/563826577.db2.gz CBNGGGZCRHBKIW-LBPRGKRZSA-N 0 0 324.449 4.820 50 0 DJAARN O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@H]1c1ccco1 ZINC000084562585 563827603 /nfs/dbraw/zinc/82/76/03/563827603.db2.gz AKDMNVDNBAXWFS-QZTJIDSGSA-N 0 0 304.345 4.656 50 0 DJAARN O=C(Nc1ccc2c(c1)CCC2)N1CCC(c2ccccc2)CC1 ZINC000084525556 563827662 /nfs/dbraw/zinc/82/76/62/563827662.db2.gz VFWZVXMCOCFTKU-UHFFFAOYSA-N 0 0 320.436 4.587 50 0 DJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000012780297 563830549 /nfs/dbraw/zinc/83/05/49/563830549.db2.gz BRDOGZISQFABAZ-UHFFFAOYSA-N 0 0 322.408 4.726 50 0 DJAARN CC[C@H]1c2ccccc2CCN1C(=O)CCCc1cccs1 ZINC000084736538 563830708 /nfs/dbraw/zinc/83/07/08/563830708.db2.gz VAQFWPBGLUYBSI-SFHVURJKSA-N 0 0 313.466 4.607 50 0 DJAARN C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000012786250 563831252 /nfs/dbraw/zinc/83/12/52/563831252.db2.gz FQABQFPFTDCCJE-OAHLLOKOSA-N 0 0 321.445 4.835 50 0 DJAARN COc1ccc(NC(=O)c2csc3c2CCCC3)cc1Cl ZINC000012815600 563837385 /nfs/dbraw/zinc/83/73/85/563837385.db2.gz PCUBXBXVAFSDOX-UHFFFAOYSA-N 0 0 321.829 4.541 50 0 DJAARN Cc1cc(F)ccc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000012819401 563837419 /nfs/dbraw/zinc/83/74/19/563837419.db2.gz RKRJGRCLYCCOLO-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c2ccccc21)c1cnccn1 ZINC000185332269 563838233 /nfs/dbraw/zinc/83/82/33/563838233.db2.gz MXZHZRDYGWIBHV-CHWSQXEVSA-N 0 0 311.816 4.695 50 0 DJAARN C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(Cl)c2ccccc21 ZINC000185332234 563838401 /nfs/dbraw/zinc/83/84/01/563838401.db2.gz MXZHZRDYGWIBHV-OLZOCXBDSA-N 0 0 311.816 4.695 50 0 DJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccs1 ZINC000001510097 563842765 /nfs/dbraw/zinc/84/27/65/563842765.db2.gz GYEFNNRCSCNMIB-UHFFFAOYSA-N 0 0 319.389 4.544 50 0 DJAARN CC(C)n1ccc2cc(C(=O)Nc3cccc4[nH]ccc43)ccc21 ZINC000085879105 563844475 /nfs/dbraw/zinc/84/44/75/563844475.db2.gz NWVNESAPXNJMEX-UHFFFAOYSA-N 0 0 317.392 4.956 50 0 biogenic DJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)OCc1ccco1 ZINC000000398001 563846098 /nfs/dbraw/zinc/84/60/98/563846098.db2.gz MXVWGUTYZVRMSZ-UHFFFAOYSA-N 0 0 320.559 4.989 50 0 DJAARN CC(=O)c1cccc(OC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000002165528 563847399 /nfs/dbraw/zinc/84/73/99/563847399.db2.gz CJDPVAYRLSOOAX-UHFFFAOYSA-N 0 0 324.163 4.807 50 0 DJAARN C[Si](C)(C)c1cccc(-c2cccc(Br)c2)c1 ZINC000169818314 563849473 /nfs/dbraw/zinc/84/94/73/563849473.db2.gz QWRPTXCZXIXGHH-UHFFFAOYSA-N 0 0 305.291 4.661 50 0 DJAARN Cc1cc(C)cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000012873246 563850040 /nfs/dbraw/zinc/85/00/40/563850040.db2.gz NFEDUKRUMOBHBL-CQSZACIVSA-N 0 0 324.449 4.746 50 0 DJAARN Cc1cc(Cl)ccc1OCCCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000002795815 563851178 /nfs/dbraw/zinc/85/11/78/563851178.db2.gz HTIJBXMCUJQFTH-HUUCEWRRSA-N 0 0 323.864 4.597 50 0 DJAARN c1csc([C@H](Nc2ncnc3ccsc32)c2ccccc2)c1 ZINC000012912765 563853926 /nfs/dbraw/zinc/85/39/26/563853926.db2.gz ZEOBVNHFFGGSMF-OAHLLOKOSA-N 0 0 323.446 4.954 50 0 DJAARN Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1F ZINC000012923220 563854396 /nfs/dbraw/zinc/85/43/96/563854396.db2.gz PEHJMGFHHRRQPF-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)c(C)s1 ZINC000012932031 563855388 /nfs/dbraw/zinc/85/53/88/563855388.db2.gz MXIYMPVLUKLKRD-UHFFFAOYSA-N 0 0 309.818 4.588 50 0 DJAARN CCCC[C@@H](CC)CC(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000075140385 563860857 /nfs/dbraw/zinc/86/08/57/563860857.db2.gz WHEINYFNTSACAW-CQSZACIVSA-N 0 0 315.417 4.590 50 0 DJAARN O=C1O[C@@]2(C=CCCC2)OC(c2ccccc2)=C1c1ccccc1 ZINC000075252531 563861973 /nfs/dbraw/zinc/86/19/73/563861973.db2.gz SNGIMIZHOMCBMQ-OAQYLSRUSA-N 0 0 318.372 4.565 50 0 DJAARN FC(F)(F)c1cc(Cl)c(OCc2ccccc2)nc1Cl ZINC000075274159 563862302 /nfs/dbraw/zinc/86/23/02/563862302.db2.gz JGQFRAAKPGNDEV-UHFFFAOYSA-N 0 0 322.113 4.986 50 0 DJAARN COC(=O)[C@@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000001578778 563863239 /nfs/dbraw/zinc/86/32/39/563863239.db2.gz PGZCJOPTDHWYES-NRSPTQNISA-N 0 0 314.469 4.993 50 0 biogenic DJAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(Cc2ccccc2)C2CC2)o1 ZINC000031087244 563873317 /nfs/dbraw/zinc/87/33/17/563873317.db2.gz VULXMQLMKLSIHU-HVRYHUGMSA-N 0 0 321.420 4.607 50 0 DJAARN C[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000033449108 563873394 /nfs/dbraw/zinc/87/33/94/563873394.db2.gz KOAOEQHEZXXYBG-VPUINMBXSA-N 0 0 320.219 4.884 50 0 DJAARN CCCCOc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000035672134 563873908 /nfs/dbraw/zinc/87/39/08/563873908.db2.gz ZXJIJURDHQIQBK-UHFFFAOYSA-N 0 0 312.344 4.722 50 0 DJAARN Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000013004114 563874991 /nfs/dbraw/zinc/87/49/91/563874991.db2.gz SJRNVQSMFSSRGE-ZDUSSCGKSA-N 0 0 322.408 4.751 50 0 DJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCCCC3)cs2)cc1 ZINC000013010027 563875574 /nfs/dbraw/zinc/87/55/74/563875574.db2.gz SHDHPJAOZCAZSZ-UHFFFAOYSA-N 0 0 314.454 4.560 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 ZINC000013015899 563876637 /nfs/dbraw/zinc/87/66/37/563876637.db2.gz UYXGWDKOKRRHPT-MRXNPFEDSA-N 0 0 319.404 4.863 50 0 DJAARN CCCn1cc(-c2ccncc2)cc1C(=O)Nc1ccccc1C ZINC000075509014 563878125 /nfs/dbraw/zinc/87/81/25/563878125.db2.gz QLTXIHYNQDMENO-UHFFFAOYSA-N 0 0 319.408 4.521 50 0 DJAARN CCCCCOc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001797576 563879089 /nfs/dbraw/zinc/87/90/89/563879089.db2.gz MNGZHKFWXCZPQU-UHFFFAOYSA-N 0 0 306.789 4.504 50 0 DJAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000239432799 563880176 /nfs/dbraw/zinc/88/01/76/563880176.db2.gz WMRCJGDOQIQKQM-GQIGUUNPSA-N 0 0 323.436 5.033 50 0 DJAARN Cc1cc2cccnc2c(NCc2ccc(-c3cccnc3)o2)c1 ZINC000092850096 563882808 /nfs/dbraw/zinc/88/28/08/563882808.db2.gz XODLYFLXTLJBEU-UHFFFAOYSA-N 0 0 315.376 4.810 50 0 DJAARN Fc1cccc2c1SCCC2=NNc1ccc2ccccc2n1 ZINC000252474432 563885494 /nfs/dbraw/zinc/88/54/94/563885494.db2.gz DJHQFDBIPQZFOQ-UHFFFAOYSA-N 0 0 323.396 4.686 50 0 DJAARN CCCCN(CCCC)c1ncnc2sc3c(c21)CCCC3 ZINC000001965580 563886037 /nfs/dbraw/zinc/88/60/37/563886037.db2.gz JCMSXOMYJMAPMZ-UHFFFAOYSA-N 0 0 317.502 4.977 50 0 DJAARN CCN(CC)c1ccc(C=[NH+][N-]c2ccc3ccccc3n2)cc1 ZINC000252600231 563887240 /nfs/dbraw/zinc/88/72/40/563887240.db2.gz DPFNUQGYXAWGLO-UHFFFAOYSA-N 0 0 318.424 4.527 50 0 DJAARN C[C@@H](SC1=N[C@@H](C)CS1)c1ccc(OC(F)F)cc1 ZINC000089523432 563889648 /nfs/dbraw/zinc/88/96/48/563889648.db2.gz NXDIYTKYIHESHN-DTWKUNHWSA-N 0 0 303.399 4.574 50 0 DJAARN C[C@H](C(=O)Nc1scnc1-c1ccccc1)c1cccs1 ZINC000152990735 563894765 /nfs/dbraw/zinc/89/47/65/563894765.db2.gz RKPCRNITUPLBRR-NSHDSACASA-N 0 0 314.435 4.614 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 ZINC000006843841 563896676 /nfs/dbraw/zinc/89/66/76/563896676.db2.gz QHDVKRUXOIGSEO-CQSZACIVSA-N 0 0 316.788 4.550 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2O1 ZINC000006844087 563896719 /nfs/dbraw/zinc/89/67/19/563896719.db2.gz AIEMEMPLXFSMLI-INIZCTEOSA-N 0 0 310.397 4.513 50 0 DJAARN Cc1cccc(OCCC(=O)Nc2cccc3ccccc32)c1 ZINC000006867666 563897616 /nfs/dbraw/zinc/89/76/16/563897616.db2.gz XABSBXCELPXRSA-UHFFFAOYSA-N 0 0 305.377 4.556 50 0 DJAARN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccccc2Cl)c1 ZINC000036390675 563898007 /nfs/dbraw/zinc/89/80/07/563898007.db2.gz OMRXWAHBOLMYGZ-ZDUSSCGKSA-N 0 0 317.816 4.618 50 0 DJAARN CCc1ccccc1NC(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000006876942 563898047 /nfs/dbraw/zinc/89/80/47/563898047.db2.gz FZRMGJZNTZQUND-CYBMUJFWSA-N 0 0 312.438 4.782 50 0 DJAARN CCc1nnc(SCc2cccc(C)c2)c2cc3occc3n21 ZINC000006894193 563899092 /nfs/dbraw/zinc/89/90/92/563899092.db2.gz JXWOHRMKAVDRRL-UHFFFAOYSA-N 0 0 323.421 4.639 50 0 DJAARN CN(C(=O)c1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000006935685 563899975 /nfs/dbraw/zinc/89/99/75/563899975.db2.gz UVOFQDLVOMTWAF-UHFFFAOYSA-N 0 0 319.379 4.687 50 0 DJAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)C1CCC1 ZINC000007006842 563901127 /nfs/dbraw/zinc/90/11/27/563901127.db2.gz YWJXXZPZMMIIQM-UHFFFAOYSA-N 0 0 308.406 4.702 50 0 DJAARN Cc1ccc(OC(=O)c2csc(-c3ccccc3)n2)cc1C ZINC000007015094 563901208 /nfs/dbraw/zinc/90/12/08/563901208.db2.gz OHNGIWCLBVOHIV-UHFFFAOYSA-N 0 0 309.390 4.646 50 0 DJAARN O=C(Cc1c(Cl)cccc1Cl)O[C@@H]1CCc2ccccc21 ZINC000007002629 563901252 /nfs/dbraw/zinc/90/12/52/563901252.db2.gz JWGBXZIOFPVFFJ-MRXNPFEDSA-N 0 0 321.203 4.767 50 0 DJAARN CC(=O)Nc1cc(N[C@@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000151339610 563901637 /nfs/dbraw/zinc/90/16/37/563901637.db2.gz HWFFSBFBNYLDCN-MRXNPFEDSA-N 0 0 318.779 4.537 50 0 DJAARN COc1cccc2c(SCC(=O)c3ccccc3)cc(C)nc12 ZINC000238881821 563904037 /nfs/dbraw/zinc/90/40/37/563904037.db2.gz BKDNAIPWXSJHRP-UHFFFAOYSA-N 0 0 323.417 4.527 50 0 DJAARN Cc1cccc(OCC(=O)Nc2ccccc2C(C)(C)C)c1C ZINC000007264412 563904837 /nfs/dbraw/zinc/90/48/37/563904837.db2.gz MXIKZMPZBBETFZ-UHFFFAOYSA-N 0 0 311.425 4.618 50 0 DJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(C)cc1 ZINC000007402086 563906019 /nfs/dbraw/zinc/90/60/19/563906019.db2.gz QKBKLFDFADDLDY-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN CC(C)[C@@H](C)N(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000170607052 563907715 /nfs/dbraw/zinc/90/77/15/563907715.db2.gz DIMYELWNGWUBCN-ZIUDEIKKSA-N 0 0 303.490 4.628 50 0 DJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@]3(CC=CCC3)C2)C1(C)C ZINC000170626814 563908800 /nfs/dbraw/zinc/90/88/00/563908800.db2.gz NKRSUMHLEACYAP-UWVAXJGDSA-N 0 0 301.474 4.574 50 0 DJAARN CCCOc1ccc(Cl)cc1NC(=O)N(C)[C@@H](C)CCC ZINC000170628507 563908816 /nfs/dbraw/zinc/90/88/16/563908816.db2.gz PGQBSXOKFGBJFL-LBPRGKRZSA-N 0 0 312.841 4.781 50 0 DJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(Cl)cc2)S1 ZINC000071287418 563909220 /nfs/dbraw/zinc/90/92/20/563909220.db2.gz KYJMHDCTKWUHLI-CYBMUJFWSA-N 0 0 321.833 4.709 50 0 DJAARN O=C(/C=C/c1ccccc1Cl)Nc1ccc2ncsc2c1 ZINC000010217249 563909254 /nfs/dbraw/zinc/90/92/54/563909254.db2.gz ALSQLNNFOWCHEO-VMPITWQZSA-N 0 0 314.797 4.602 50 0 DJAARN Cc1cc(C)nc(NC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000013320282 563909537 /nfs/dbraw/zinc/90/95/37/563909537.db2.gz QTQMMIQDZBUGNJ-UHFFFAOYSA-N 0 0 310.184 4.649 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=S)NCCc1ccccc1 ZINC000013812492 563910053 /nfs/dbraw/zinc/91/00/53/563910053.db2.gz SYKHOXNCYSQGNH-UHFFFAOYSA-N 0 0 312.482 4.648 50 0 DJAARN CCCCc1ccccc1NC(=S)Nc1cccc(OC)c1 ZINC000013793386 563910107 /nfs/dbraw/zinc/91/01/07/563910107.db2.gz GGAMAJBYJMIMFY-UHFFFAOYSA-N 0 0 314.454 4.847 50 0 DJAARN C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc2ccccc21 ZINC000014601962 563910727 /nfs/dbraw/zinc/91/07/27/563910727.db2.gz HRWQHQXRYLDFHQ-CQSZACIVSA-N 0 0 323.823 4.913 50 0 DJAARN O=C(CCC1CC1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000089875012 563911945 /nfs/dbraw/zinc/91/19/45/563911945.db2.gz UUOMMAYYDJLCAM-OAHLLOKOSA-N 0 0 314.454 4.540 50 0 DJAARN C[C@H]1CCCCN1C(=O)Nc1ccccc1COc1ccccc1 ZINC000089929733 563912388 /nfs/dbraw/zinc/91/23/88/563912388.db2.gz APZBMGPXJABOOK-INIZCTEOSA-N 0 0 324.424 4.672 50 0 DJAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(F)cc1 ZINC000007596175 563915445 /nfs/dbraw/zinc/91/54/45/563915445.db2.gz UGZIIYAGOBGIIQ-UHFFFAOYSA-N 0 0 303.336 4.649 50 0 DJAARN CC(C)(C)c1cc(CN[C@H](c2cccc(F)c2)C(C)(C)C)no1 ZINC000252488745 563915893 /nfs/dbraw/zinc/91/58/93/563915893.db2.gz IXUMWGKUIKJOSC-QGZVFWFLSA-N 0 0 318.436 4.988 50 0 DJAARN CCOc1ccc2oc(C(=O)Nc3ccccc3C)c(C)c2c1 ZINC000007609710 563917212 /nfs/dbraw/zinc/91/72/12/563917212.db2.gz MUVBJGXGCSQTJK-UHFFFAOYSA-N 0 0 309.365 4.701 50 0 DJAARN COc1ccc2c(c1)c1nc(C)sc1n2CCc1ccccc1 ZINC000002209987 563917476 /nfs/dbraw/zinc/91/74/76/563917476.db2.gz OJBSINWWZPETQB-UHFFFAOYSA-N 0 0 322.433 4.811 50 0 DJAARN c1nc(CN2CC=C(c3ccccc3)CC2)oc1-c1ccccc1 ZINC000007650959 563917782 /nfs/dbraw/zinc/91/77/82/563917782.db2.gz HUJPQUJMAWMBPE-UHFFFAOYSA-N 0 0 316.404 4.631 50 0 DJAARN CCSc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000007684495 563917859 /nfs/dbraw/zinc/91/78/59/563917859.db2.gz ORWCGWRRMZZBNL-UHFFFAOYSA-N 0 0 312.394 4.524 50 0 DJAARN O=C(CCSCc1ccccc1)Nc1cccc(Cl)c1 ZINC000007685440 563917889 /nfs/dbraw/zinc/91/78/89/563917889.db2.gz DCSMAPLCKUJJIX-UHFFFAOYSA-N 0 0 305.830 4.602 50 0 DJAARN Cc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1 ZINC000007737482 563918469 /nfs/dbraw/zinc/91/84/69/563918469.db2.gz IKOSRTPMNSFGLP-UHFFFAOYSA-N 0 0 307.418 4.654 50 0 DJAARN CC(C)c1nc(-c2ccc(OCc3cccc(F)c3)cc2)no1 ZINC000037547707 563918699 /nfs/dbraw/zinc/91/86/99/563918699.db2.gz NPKDJLAGBAKTHK-UHFFFAOYSA-N 0 0 312.344 4.578 50 0 DJAARN CCOCc1c2ccccc2oc1C(=O)Nc1cccc(C)c1 ZINC000007756102 563918760 /nfs/dbraw/zinc/91/87/60/563918760.db2.gz IUUCOCAKKBFWCA-UHFFFAOYSA-N 0 0 309.365 4.530 50 0 DJAARN CCc1ccccc1Oc1nc2cc(C)nn2c2ccccc21 ZINC000007737800 563918786 /nfs/dbraw/zinc/91/87/86/563918786.db2.gz KMICRKXDSGOILX-UHFFFAOYSA-N 0 0 303.365 4.546 50 0 DJAARN Cc1ccc(C)c(OC(=O)c2cccc(-n3cccc3)c2)c1C ZINC000007780973 563919283 /nfs/dbraw/zinc/91/92/83/563919283.db2.gz LKGLOTHWNLMURK-UHFFFAOYSA-N 0 0 305.377 4.622 50 0 DJAARN CCCSC1(SCCC)C[C@H]2CC(=O)Nc3cccc1c32 ZINC000245197906 563919977 /nfs/dbraw/zinc/91/99/77/563919977.db2.gz HOVRCJOKJNIJQD-GFCCVEGCSA-N 0 0 321.511 4.955 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@]5(CS5)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000252693893 563920457 /nfs/dbraw/zinc/92/04/57/563920457.db2.gz GXTQNPGSFWVXDC-NSNLRKJJSA-N 0 0 320.542 4.876 50 0 biogenic DJAARN C[C@H](OC(=O)c1c2c(nc3ccccc31)CCC2)c1ccccc1 ZINC000015222353 563920506 /nfs/dbraw/zinc/92/05/06/563920506.db2.gz KWUZAQNIKXLVCB-AWEZNQCLSA-N 0 0 317.388 4.642 50 0 DJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCCCC1 ZINC000007912698 563920583 /nfs/dbraw/zinc/92/05/83/563920583.db2.gz SLAVZZMVOWXSLP-UHFFFAOYSA-N 0 0 320.392 4.511 50 0 DJAARN CC(=O)c1sc(N(Cc2ccccc2)c2ccccc2)nc1C ZINC000019898215 563923759 /nfs/dbraw/zinc/92/37/59/563923759.db2.gz JJTRLNGEQPDRHG-UHFFFAOYSA-N 0 0 322.433 4.992 50 0 DJAARN O=C(CCNc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000055142454 563927486 /nfs/dbraw/zinc/92/74/86/563927486.db2.gz WKADNHAKVSRIGD-UHFFFAOYSA-N 0 0 317.860 4.928 50 0 DJAARN CC(C)c1c2ccccc2n(-c2cc(F)cc(F)c2)c1CO ZINC000002385974 563927664 /nfs/dbraw/zinc/92/76/64/563927664.db2.gz DPPNYCACUIUFAY-UHFFFAOYSA-N 0 0 301.336 4.524 50 0 DJAARN Cc1cccc(C)c1NC(=O)/C=C/c1ccccc1OC(F)F ZINC000011479650 563928100 /nfs/dbraw/zinc/92/81/00/563928100.db2.gz BLMHCYKALFQDQZ-ZHACJKMWSA-N 0 0 317.335 4.557 50 0 DJAARN c1ccc(-c2nc3n(n2)C2(CCCCC2)[C@@H]2CCCC[C@@H]2N3)cc1 ZINC000013369827 563929481 /nfs/dbraw/zinc/92/94/81/563929481.db2.gz FNRGYKYISQILCY-SJORKVTESA-N 0 0 322.456 4.589 50 0 biogenic DJAARN O=C(CCC(=O)c1ccc2ccccc2c1)NC1CCCCCC1 ZINC000007955140 563929529 /nfs/dbraw/zinc/92/95/29/563929529.db2.gz NTIRYPFCIRYZGT-UHFFFAOYSA-N 0 0 323.436 4.642 50 0 DJAARN Cc1nc2scc(-c3ccccc3)c2c(NCc2ccoc2)n1 ZINC000095356829 563931066 /nfs/dbraw/zinc/93/10/66/563931066.db2.gz WFWOOHHJESXIDI-UHFFFAOYSA-N 0 0 321.405 4.872 50 0 DJAARN CC(C)(C)N=c1scc(-c2ccccc2)n1Cc1ccccc1 ZINC000254489530 563931873 /nfs/dbraw/zinc/93/18/73/563931873.db2.gz XWSYFZNYGKYISB-UHFFFAOYSA-N 0 0 322.477 4.964 50 0 DJAARN Cc1ccc(C2=Nc3ccccc3C(=O)Nc3ccccc32)cc1 ZINC000095946189 563932217 /nfs/dbraw/zinc/93/22/17/563932217.db2.gz CRNRFBOTAWJZPD-UHFFFAOYSA-N 0 0 312.372 4.730 50 0 DJAARN Cc1cc(C)c(C[S@@](=O)[C@@H](C)c2ccccc2F)c(C)c1 ZINC000095948879 563932239 /nfs/dbraw/zinc/93/22/39/563932239.db2.gz VAOJRHSGBASQNG-BTYIYWSLSA-N 0 0 304.430 4.761 50 0 DJAARN C[C@H](O)c1cccc(OCc2csc(-c3cccs3)n2)c1 ZINC000095964625 563932749 /nfs/dbraw/zinc/93/27/49/563932749.db2.gz IWBGKQDNMCOTFV-NSHDSACASA-N 0 0 317.435 4.504 50 0 DJAARN CCOc1ccccc1CNc1ccc(C)c(-c2ncco2)c1 ZINC000095971973 563933480 /nfs/dbraw/zinc/93/34/80/563933480.db2.gz IFJJPDVYABKYPZ-UHFFFAOYSA-N 0 0 308.381 4.661 50 0 DJAARN CC(C)n1ccc2c1cccc2C(=O)Nc1cccc2[nH]ccc21 ZINC000096114681 563935490 /nfs/dbraw/zinc/93/54/90/563935490.db2.gz OBFKFRRLXNXNFT-UHFFFAOYSA-N 0 0 317.392 4.956 50 0 biogenic DJAARN COc1ccc(Nc2nc(-c3cc(C)oc3C)cs2)cc1 ZINC000096124477 563935609 /nfs/dbraw/zinc/93/56/09/563935609.db2.gz PHSLOHQNYNMQCE-UHFFFAOYSA-N 0 0 300.383 4.772 50 0 DJAARN COc1cc(Nc2nc(Cc3ccsc3)cs2)ccc1F ZINC000096124517 563935714 /nfs/dbraw/zinc/93/57/14/563935714.db2.gz QFVZLIAKJYVRKE-UHFFFAOYSA-N 0 0 320.414 4.687 50 0 DJAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1ccccc1Cl ZINC000055778475 563939207 /nfs/dbraw/zinc/93/92/07/563939207.db2.gz MBPGJKBSTAWNDR-SFHVURJKSA-N 0 0 313.828 4.636 50 0 DJAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1ccccc1Cl ZINC000055778474 563939227 /nfs/dbraw/zinc/93/92/27/563939227.db2.gz MBPGJKBSTAWNDR-GOSISDBHSA-N 0 0 313.828 4.636 50 0 DJAARN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000002621632 563939568 /nfs/dbraw/zinc/93/95/68/563939568.db2.gz NBRBKQJQCJYUPZ-SNVBAGLBSA-N 0 0 309.793 4.598 50 0 DJAARN Cc1ccc(C(=O)[C@H](C)Oc2cccc3c2OC(C)(C)C3)cc1C ZINC000002640434 563939836 /nfs/dbraw/zinc/93/98/36/563939836.db2.gz MYGDHLYCOSAFDQ-HNNXBMFYSA-N 0 0 324.420 4.667 50 0 DJAARN CCC(=O)c1ccc(OCC(=O)c2ccc3ccccc3c2)cc1 ZINC000002640838 563939847 /nfs/dbraw/zinc/93/98/47/563939847.db2.gz CWUVCRJOGJRIFH-UHFFFAOYSA-N 0 0 318.372 4.694 50 0 DJAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc2ccccc2c1 ZINC000002651979 563940081 /nfs/dbraw/zinc/94/00/81/563940081.db2.gz XFHJWWYLYWMITP-UHFFFAOYSA-N 0 0 313.303 4.694 50 0 DJAARN Cc1cccc(NC(=S)Nc2ccccc2Br)c1 ZINC000002649586 563940132 /nfs/dbraw/zinc/94/01/32/563940132.db2.gz HWGBMWNEHUDQJO-UHFFFAOYSA-N 0 0 321.243 4.566 50 0 DJAARN Cc1cc(C)cc(Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000002707726 563940408 /nfs/dbraw/zinc/94/04/08/563940408.db2.gz IUZBYEVWRXNUAA-UHFFFAOYSA-N 0 0 309.438 4.931 50 0 DJAARN O=C(N/C=C/c1ccccc1Cl)OCc1ccc(Cl)cc1 ZINC000003105684 563942182 /nfs/dbraw/zinc/94/21/82/563942182.db2.gz XLVLBFSUTNLGGS-MDZDMXLPSA-N 0 0 322.191 4.891 50 0 DJAARN Cc1cc2ccccn2c1C(=O)c1ccc(Cl)cc1Cl ZINC000003193691 563942875 /nfs/dbraw/zinc/94/28/75/563942875.db2.gz ZUPJGAYRFGLRME-UHFFFAOYSA-N 0 0 304.176 4.786 50 0 DJAARN O=C(CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000003222017 563942952 /nfs/dbraw/zinc/94/29/52/563942952.db2.gz BOHDMDBRFHYLIJ-UHFFFAOYSA-N 0 0 319.838 4.925 50 0 DJAARN CC[C@@H](C)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1 ZINC000003282453 563943459 /nfs/dbraw/zinc/94/34/59/563943459.db2.gz MQCFPCRHGQECSY-OAHLLOKOSA-N 0 0 311.425 4.780 50 0 DJAARN O=C(c1ccccc1Cl)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032101741 563945374 /nfs/dbraw/zinc/94/53/74/563945374.db2.gz UKBHSFOXDBHANK-UHFFFAOYSA-N 0 0 324.811 4.626 50 0 DJAARN O=C(c1cccc(Cl)c1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032105811 563945399 /nfs/dbraw/zinc/94/53/99/563945399.db2.gz FTZCRGSDCRALKU-UHFFFAOYSA-N 0 0 324.811 4.626 50 0 DJAARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)Cc1ccccc1 ZINC000007990541 563946177 /nfs/dbraw/zinc/94/61/77/563946177.db2.gz YAWARXOIUMKZAV-UHFFFAOYSA-N 0 0 313.784 4.667 50 0 DJAARN CCc1ccc([C@H](NC(=O)c2ccccc2)c2cccs2)cc1 ZINC000008062270 563946485 /nfs/dbraw/zinc/94/64/85/563946485.db2.gz QVBDQKKBRNGSII-IBGZPJMESA-N 0 0 321.445 4.830 50 0 DJAARN O=C(Nc1cccc(-c2nc(-c3ccccc3)cs2)c1)C1CC1 ZINC000008042045 563946509 /nfs/dbraw/zinc/94/65/09/563946509.db2.gz QZWQAGNWLXXEJC-UHFFFAOYSA-N 0 0 320.417 4.826 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)no1 ZINC000008184553 563946972 /nfs/dbraw/zinc/94/69/72/563946972.db2.gz HDLSYMGVPJMDKM-UHFFFAOYSA-N 0 0 318.332 4.649 50 0 DJAARN Fc1ccc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000008157419 563947005 /nfs/dbraw/zinc/94/70/05/563947005.db2.gz MPUMYMLUVBEKAR-UHFFFAOYSA-N 0 0 307.368 4.908 50 0 DJAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC)[C@@]3(C)CC[C@H]21 ZINC000038304397 563947336 /nfs/dbraw/zinc/94/73/36/563947336.db2.gz UJVDXOJUUSHVJY-OBKDMQGPSA-N 0 0 300.442 4.566 50 0 DJAARN C[C@@H](Sc1n[nH]c(-c2cccs2)n1)c1ccc(F)cc1 ZINC000008279304 563947535 /nfs/dbraw/zinc/94/75/35/563947535.db2.gz UGUQHXWPLPAQIS-SECBINFHSA-N 0 0 305.403 4.526 50 0 DJAARN CC(C)(C)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000008288953 563947552 /nfs/dbraw/zinc/94/75/52/563947552.db2.gz YQJMBKFIHDNONN-UHFFFAOYSA-N 0 0 315.438 4.647 50 0 DJAARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)c1ccc(F)cc1 ZINC000008279300 563947578 /nfs/dbraw/zinc/94/75/78/563947578.db2.gz UGUQHXWPLPAQIS-VIFPVBQESA-N 0 0 305.403 4.526 50 0 DJAARN CN(Cc1ccsc1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000008361406 563948017 /nfs/dbraw/zinc/94/80/17/563948017.db2.gz DJLUUTMNHHQRFF-UHFFFAOYSA-N 0 0 323.417 4.813 50 0 DJAARN CC(C)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000038486438 563948329 /nfs/dbraw/zinc/94/83/29/563948329.db2.gz NCVOWDFSDBUAIT-UHFFFAOYSA-N 0 0 317.845 4.798 50 0 DJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cc2c(cccc2F)s1 ZINC000008404592 563948405 /nfs/dbraw/zinc/94/84/05/563948405.db2.gz APXUZIKMDVCKFE-LBPRGKRZSA-N 0 0 313.397 4.874 50 0 DJAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)c1ccc2c(c1)CCC2 ZINC000008427803 563948606 /nfs/dbraw/zinc/94/86/06/563948606.db2.gz KXTFWCWHZPIQHM-GFCCVEGCSA-N 0 0 323.417 4.680 50 0 DJAARN Cc1cccc(N(CC(=O)c2ccccc2)C2=NCCCCC2)c1 ZINC000008414602 563948635 /nfs/dbraw/zinc/94/86/35/563948635.db2.gz HOWUINUEXIXPHZ-UHFFFAOYSA-N 0 0 320.436 4.657 50 0 DJAARN C[C@@H](NCc1nc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000008531603 563948768 /nfs/dbraw/zinc/94/87/68/563948768.db2.gz RHBRLRVYGJLIML-SNVBAGLBSA-N 0 0 321.207 4.985 50 0 DJAARN Clc1ccc([C@@H](NCc2cscn2)c2ccsc2)cc1 ZINC000067253617 563948910 /nfs/dbraw/zinc/94/89/10/563948910.db2.gz UOYMAYQNBOJVNS-OAHLLOKOSA-N 0 0 320.870 4.737 50 0 DJAARN Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000008705310 563949846 /nfs/dbraw/zinc/94/98/46/563949846.db2.gz OBIWGZRAGZCMRB-UHFFFAOYSA-N 0 0 324.405 4.805 50 0 DJAARN Cc1ccc2[nH]c(SCc3cc(-c4ccccc4)no3)nc2c1 ZINC000008709789 563950014 /nfs/dbraw/zinc/95/00/14/563950014.db2.gz XHRIVQQJPMREPY-UHFFFAOYSA-N 0 0 321.405 4.819 50 0 DJAARN Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000008748710 563950344 /nfs/dbraw/zinc/95/03/44/563950344.db2.gz QOAFCHTUSNQKHL-PKOBYXMFSA-N 0 0 324.468 4.617 50 0 DJAARN FC(F)(F)c1ccc(Cl)c(N=c2oc3ccccc3o2)c1 ZINC000039931167 563951292 /nfs/dbraw/zinc/95/12/92/563951292.db2.gz ZWRYYUNZKKNEIN-UHFFFAOYSA-N 0 0 313.662 4.930 50 0 DJAARN CCOc1ccccc1NC(=O)c1ccccc1SC(F)F ZINC000008924774 563951476 /nfs/dbraw/zinc/95/14/76/563951476.db2.gz SKUHYPKQSHYVHH-UHFFFAOYSA-N 0 0 323.364 4.652 50 0 DJAARN Clc1ccc2[nH]c(SCc3nc4ccccc4o3)nc2c1 ZINC000009319391 563955197 /nfs/dbraw/zinc/95/51/97/563955197.db2.gz PDDYZUVEBMVIIK-UHFFFAOYSA-N 0 0 315.785 4.650 50 0 DJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccco1)c1ccccc1 ZINC000009387211 563955669 /nfs/dbraw/zinc/95/56/69/563955669.db2.gz KEHJRIHAPFBKHZ-UHFFFAOYSA-N 0 0 311.768 4.780 50 0 DJAARN CCCOc1ccccc1NC(=O)c1c(F)cccc1Cl ZINC000009448370 563956020 /nfs/dbraw/zinc/95/60/20/563956020.db2.gz OQZPDLNLSMENHT-UHFFFAOYSA-N 0 0 307.752 4.520 50 0 DJAARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1cccc(F)c1 ZINC000009420864 563956027 /nfs/dbraw/zinc/95/60/27/563956027.db2.gz OSGOGTCEIXFJKR-LJQANCHMSA-N 0 0 318.351 4.597 50 0 DJAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl ZINC000009499480 563956320 /nfs/dbraw/zinc/95/63/20/563956320.db2.gz MMMFNNBWNIFPFZ-LLVKDONJSA-N 0 0 306.768 4.670 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1ncoc1-c1cccs1 ZINC000009527287 563956623 /nfs/dbraw/zinc/95/66/23/563956623.db2.gz PPXHNLWSICEYLD-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN Cc1ccc(NC(=O)c2ncoc2-c2cccc(Cl)c2)cc1 ZINC000009527392 563956677 /nfs/dbraw/zinc/95/66/77/563956677.db2.gz XKQNXIAXOIAFGM-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN CC(=O)c1cccc(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000009592729 563957061 /nfs/dbraw/zinc/95/70/61/563957061.db2.gz HMJSYCZLXFKOHX-UHFFFAOYSA-N 0 0 321.401 4.870 50 0 DJAARN CCC[C@H](Nc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000009726791 563957436 /nfs/dbraw/zinc/95/74/36/563957436.db2.gz DNJXUZGZGZOSQO-ZDUSSCGKSA-N 0 0 317.389 4.891 50 0 DJAARN Cc1nc(SCc2cccc(F)c2)[nH]c1Cc1ccccc1 ZINC000009946577 563957942 /nfs/dbraw/zinc/95/79/42/563957942.db2.gz YJFYCKQDZNVEDF-UHFFFAOYSA-N 0 0 312.413 4.740 50 0 DJAARN C/C(=C/C(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C1CC1 ZINC000071817256 563958743 /nfs/dbraw/zinc/95/87/43/563958743.db2.gz RTOJXONRDVYYEW-SQFISAMPSA-N 0 0 315.432 4.843 50 0 DJAARN C=Cc1ccc(CN2c3ccccc3N=C3CCC[C@@H]3C2=O)cc1 ZINC000101375715 563962052 /nfs/dbraw/zinc/96/20/52/563962052.db2.gz ZTDFFTDMYPHETP-KRWDZBQOSA-N 0 0 316.404 4.749 50 0 DJAARN CCCCc1cc(=O)oc2cc(OCc3ccccc3)ccc12 ZINC000002998752 568414286 /nfs/dbraw/zinc/41/42/86/568414286.db2.gz XTXURESNYQHYCZ-UHFFFAOYSA-N 0 0 308.377 4.715 50 0 biogenic DJAARN Cc1ccccc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000211078471 568415285 /nfs/dbraw/zinc/41/52/85/568415285.db2.gz QIZCURXHSBNRKH-KRWDZBQOSA-N 0 0 311.400 4.544 50 0 DJAARN CCCCN(CCCC)C(=O)c1csc(Br)c1 ZINC000035222549 568417965 /nfs/dbraw/zinc/41/79/65/568417965.db2.gz WEDZNNSFXFQGMF-UHFFFAOYSA-N 0 0 318.280 4.553 50 0 DJAARN CCc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C ZINC000007995912 568417979 /nfs/dbraw/zinc/41/79/79/568417979.db2.gz WFIQRIBKKPZGPT-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN CCc1nc(-c2ccc(-c3noc(C4CCC4)n3)cc2)cs1 ZINC000035515067 568418607 /nfs/dbraw/zinc/41/86/07/568418607.db2.gz VQAFZJKBXUAAFM-UHFFFAOYSA-N 0 0 311.410 4.690 50 0 DJAARN CC1=Nc2ccccc2C1=[NH+][N-]c1ccc(SC(F)F)cc1 ZINC000254591168 568420441 /nfs/dbraw/zinc/42/04/41/568420441.db2.gz KHXDFPLMCUFKOC-UHFFFAOYSA-N 0 0 317.364 4.924 50 0 DJAARN CC(C)c1nc2cc(C(=O)N3CCC[C@@H]3c3ccco3)ccc2o1 ZINC000095527093 185378040 /nfs/dbraw/zinc/37/80/40/185378040.db2.gz AJQSULGOSUUTTN-OAHLLOKOSA-N 0 0 324.380 4.522 50 0 DJAARN O=c1[nH]c(C(Cl)=Cc2ccc(Cl)cc2)nc2ccccc12 ZINC000096767668 185386913 /nfs/dbraw/zinc/38/69/13/185386913.db2.gz FGOCQINSIIBYCL-UKTHLTGXSA-N 0 0 317.175 4.726 50 0 DJAARN CC(C)[C@@H](C)S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000078843888 185119612 /nfs/dbraw/zinc/11/96/12/185119612.db2.gz GWENGDZNDKBFID-NXEZZACHSA-N 0 0 309.258 4.514 50 0 DJAARN c1coc(-c2nnc(COc3ccc(-c4ccccc4)cc3)o2)c1 ZINC000078958467 185135654 /nfs/dbraw/zinc/13/56/54/185135654.db2.gz FVNRKKXOQJBRHT-UHFFFAOYSA-N 0 0 318.332 4.576 50 0 DJAARN Fc1cc(OCc2cccc(Cl)c2)ccc1Br ZINC000087437717 185224930 /nfs/dbraw/zinc/22/49/30/185224930.db2.gz BQUDOPKBVAZIPH-UHFFFAOYSA-N 0 0 315.569 4.821 50 0 DJAARN Cc1ccc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1 ZINC000096920078 185391591 /nfs/dbraw/zinc/39/15/91/185391591.db2.gz QTOCEJPBZUZPSR-MDWZMJQESA-N 0 0 302.786 4.843 50 0 DJAARN Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C)c1 ZINC000003515052 190618371 /nfs/dbraw/zinc/61/83/71/190618371.db2.gz UUYJWTMYPPFCNJ-UHFFFAOYSA-N 0 0 305.830 4.688 50 0 DJAARN Cc1c2ccc(NC(=O)C(C)C)cc2oc1C(=O)c1ccccc1 ZINC000009485788 190633023 /nfs/dbraw/zinc/63/30/23/190633023.db2.gz OKWSZMFPNWOAGN-UHFFFAOYSA-N 0 0 321.376 4.567 50 0 DJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C\c1cccs1 ZINC000096996588 185395691 /nfs/dbraw/zinc/39/56/91/185395691.db2.gz OXFYANJMMOIUQA-XPSMFNQNSA-N 0 0 311.406 4.727 50 0 DJAARN c1ccc(Nc2cccc(Nc3ccnc(C4CC4)n3)c2)cc1 ZINC000095394639 185352527 /nfs/dbraw/zinc/35/25/27/185352527.db2.gz IITSNXKGJRWFLK-UHFFFAOYSA-N 0 0 302.381 4.841 50 0 DJAARN C[C@@H](N[C@H](C)c1ccccc1Oc1ccccc1)c1cnccn1 ZINC000095421569 185360435 /nfs/dbraw/zinc/36/04/35/185360435.db2.gz PZOJFRRUKHULCW-HZPDHXFCSA-N 0 0 319.408 4.681 50 0 DJAARN Cc1noc([C@H](C)S[C@@H](C)c2ncc(-c3ccccc3)o2)n1 ZINC000095414548 185358446 /nfs/dbraw/zinc/35/84/46/185358446.db2.gz CQPQOAJHLDSHLT-QWRGUYRKSA-N 0 0 315.398 4.588 50 0 DJAARN COc1ccccc1[C@@H]1Nc2c(C)cc(C)cc2[C@H]2OCCC[C@@H]12 ZINC000015018094 190639678 /nfs/dbraw/zinc/63/96/78/190639678.db2.gz PRZODGQRYRLFPT-NDXORKPFSA-N 0 0 323.436 4.947 50 0 DJAARN CSc1ccsc1C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000095431753 185363615 /nfs/dbraw/zinc/36/36/15/185363615.db2.gz MVTRRWLGIUMSLR-UHFFFAOYSA-N 0 0 321.467 4.860 50 0 DJAARN O=C(CCSC/C=C\c1ccccc1)Nc1ccccc1F ZINC000097011484 185396845 /nfs/dbraw/zinc/39/68/45/185396845.db2.gz NEBRKBBOWIEMQK-TWGQIWQCSA-N 0 0 315.413 4.601 50 0 DJAARN Cc1cnc([C@H](N[C@H](C)c2ccc3ccccc3n2)C2CC2)s1 ZINC000095423351 185361186 /nfs/dbraw/zinc/36/11/86/185361186.db2.gz SKIIBWGHWYLFPX-FZKQIMNGSA-N 0 0 323.465 4.802 50 0 DJAARN c1ccc(C2=N[C@H](c3ccccc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000169385191 197746662 /nfs/dbraw/zinc/74/66/62/197746662.db2.gz GYTWZWMAZNKVQZ-DNLLRGJWSA-N 0 0 310.400 4.614 50 0 DJAARN Cc1ccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc1C ZINC000097147333 185416104 /nfs/dbraw/zinc/41/61/04/185416104.db2.gz BHFXPLKYUNRDRU-XNTDXEJSSA-N 0 0 310.784 4.689 50 0 DJAARN COc1cccc(/C=C\C(=O)Nc2cccc3ccccc32)c1 ZINC000033470592 190661364 /nfs/dbraw/zinc/66/13/64/190661364.db2.gz HDXBAOYPFTYLOW-SEYXRHQNSA-N 0 0 303.361 4.500 50 0 DJAARN Cc1occc1-c1nnc(SCc2ccc(Cl)s2)o1 ZINC000068895021 190788738 /nfs/dbraw/zinc/78/87/38/190788738.db2.gz ZQBKFOVDHQWDBK-UHFFFAOYSA-N 0 0 312.803 4.645 50 0 DJAARN O=C(Nc1ccccc1F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344057 192150131 /nfs/dbraw/zinc/15/01/31/192150131.db2.gz ITWMCASWIOBGOJ-STQMWFEESA-N 0 0 324.182 4.875 50 0 DJAARN O=C(c1csc2ccccc12)N1CC[C@@H](c2ccccc2)C1 ZINC000084525535 192437570 /nfs/dbraw/zinc/43/75/70/192437570.db2.gz UTFWTIKZGKLVMW-OAHLLOKOSA-N 0 0 307.418 4.531 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCC=C(Cl)Cl ZINC000071769646 191029818 /nfs/dbraw/zinc/02/98/18/191029818.db2.gz SYIDJFLDLDARPY-UHFFFAOYSA-N 0 0 314.983 4.861 50 0 DJAARN Fc1ccc(-c2nc(CNc3ccc(Cl)nc3)cs2)cc1 ZINC000149413005 186049429 /nfs/dbraw/zinc/04/94/29/186049429.db2.gz QUVGXWGDVVUNJW-UHFFFAOYSA-N 0 0 319.792 4.610 50 0 DJAARN CC(C)(C)OC(=O)Nc1ccccc1NCc1ccsc1 ZINC000225647314 186286862 /nfs/dbraw/zinc/28/68/62/186286862.db2.gz HMZOTZZHEAATGJ-UHFFFAOYSA-N 0 0 304.415 4.707 50 0 DJAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cc(Cl)nc(C)n1 ZINC000072318927 191120839 /nfs/dbraw/zinc/12/08/39/191120839.db2.gz JMCCOLNASMVXQJ-HOTGVXAUSA-N 0 0 315.848 4.601 50 0 DJAARN CC(C)c1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 ZINC000072331645 191124876 /nfs/dbraw/zinc/12/48/76/191124876.db2.gz YMTUSLMHJOYZRA-UHFFFAOYSA-N 0 0 305.780 4.533 50 0 DJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000000035407 180672904 /nfs/dbraw/zinc/67/29/04/180672904.db2.gz OQLZGQOQNITSSW-UHFFFAOYSA-N 0 0 321.445 4.700 50 0 DJAARN CCc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc1 ZINC000000068302 180683153 /nfs/dbraw/zinc/68/31/53/180683153.db2.gz CWFRWWYFSDVXJB-UHFFFAOYSA-N 0 0 318.420 4.602 50 0 DJAARN Fc1ccc(COc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000000042969 180676153 /nfs/dbraw/zinc/67/61/53/180676153.db2.gz GOZBNUAOZZEJID-UHFFFAOYSA-N 0 0 321.273 4.972 50 0 DJAARN Cc1cc(OCc2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000000045102 180676358 /nfs/dbraw/zinc/67/63/58/180676358.db2.gz MZCZYQYDWIPUNK-UHFFFAOYSA-N 0 0 320.388 4.559 50 0 DJAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)OC(C)C ZINC000000083647 180686904 /nfs/dbraw/zinc/68/69/04/180686904.db2.gz FTLNUVGBVFIMOT-UHFFFAOYSA-N 0 0 324.376 4.885 50 0 DJAARN CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1CC ZINC000000098366 180691919 /nfs/dbraw/zinc/69/19/19/180691919.db2.gz NIANCDYNLBYXLL-UHFFFAOYSA-N 0 0 320.392 4.718 50 0 DJAARN Cc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000000125552 180701224 /nfs/dbraw/zinc/70/12/24/180701224.db2.gz HZTKAXZYZGHPIN-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN COc1ccc(OCc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000113839 180697109 /nfs/dbraw/zinc/69/71/09/180697109.db2.gz BPWDRUFKSAUITM-UHFFFAOYSA-N 0 0 311.406 4.706 50 0 DJAARN Cc1ncc2c(c1-c1nc(-c3ccc(F)cc3)cs1)CCC2 ZINC000072447047 191169358 /nfs/dbraw/zinc/16/93/58/191169358.db2.gz JWAFOQIJXXPKMI-UHFFFAOYSA-N 0 0 310.397 4.808 50 0 DJAARN Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCCC2 ZINC000000130298 180702976 /nfs/dbraw/zinc/70/29/76/180702976.db2.gz VCBHRPSXVXMXEM-UHFFFAOYSA-N 0 0 320.845 4.505 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1ccccc1CCc1ccccc1 ZINC000000129875 180703065 /nfs/dbraw/zinc/70/30/65/180703065.db2.gz AFFPHEPZWYRSQX-UHFFFAOYSA-N 0 0 319.379 4.863 50 0 DJAARN Cc1ccc2[nH]c(-c3c[nH]nc3-c3cc4ccccc4o3)nc2c1 ZINC000072462932 191173444 /nfs/dbraw/zinc/17/34/44/191173444.db2.gz QDOKYGWKRJDAQR-UHFFFAOYSA-N 0 0 314.348 4.675 50 0 DJAARN CC(C)N(Cc1ccccc1)C(=O)c1c(F)cccc1Cl ZINC000000154159 180710602 /nfs/dbraw/zinc/71/06/02/180710602.db2.gz CQQCIATWARXQRA-UHFFFAOYSA-N 0 0 305.780 4.530 50 0 DJAARN O=C(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000000155320 180711129 /nfs/dbraw/zinc/71/11/29/180711129.db2.gz HWBXNAPXNCBCQO-UHFFFAOYSA-N 0 0 318.216 4.955 50 0 DJAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(C)c1C ZINC000000208535 180726006 /nfs/dbraw/zinc/72/60/06/180726006.db2.gz PBDSZVHNNXSMHM-UHFFFAOYSA-N 0 0 305.377 4.718 50 0 DJAARN CCOc1cc2oc(C)c(Oc3ccccc3)c(=O)c2cc1CC ZINC000000189794 180720098 /nfs/dbraw/zinc/72/00/98/180720098.db2.gz BJTWBYXERFKUSL-UHFFFAOYSA-N 0 0 324.376 4.855 50 0 biogenic DJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)o1 ZINC000000202890 180724262 /nfs/dbraw/zinc/72/42/62/180724262.db2.gz NGXCLMACYLTLMU-QGZVFWFLSA-N 0 0 322.408 4.792 50 0 DJAARN O=C(Nc1ccc(F)cc1F)C(c1ccccc1)c1ccccc1 ZINC000000225019 180731808 /nfs/dbraw/zinc/73/18/08/180731808.db2.gz UYXYIKVVSSOVQZ-UHFFFAOYSA-N 0 0 323.342 4.735 50 0 DJAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000288215 180748615 /nfs/dbraw/zinc/74/86/15/180748615.db2.gz ZJGOJDXDWVWFHX-UHFFFAOYSA-N 0 0 315.372 4.809 50 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CSc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000382764 180772843 /nfs/dbraw/zinc/77/28/43/180772843.db2.gz NMYYOGATLHSZCB-UHFFFAOYSA-N 0 0 312.221 4.968 50 0 DJAARN Cc1cccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000000385297 180774103 /nfs/dbraw/zinc/77/41/03/180774103.db2.gz KSNJTNCGAKIASO-UHFFFAOYSA-N 0 0 304.271 4.731 50 0 DJAARN Cc1nc2sc3c(c2c(NC2CCCCC2)n1)CC[C@@H](C)C3 ZINC000000351741 180764141 /nfs/dbraw/zinc/76/41/41/180764141.db2.gz DZHVRIBMEXMVOV-LLVKDONJSA-N 0 0 315.486 4.869 50 0 DJAARN CC[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000409692 180779299 /nfs/dbraw/zinc/77/92/99/180779299.db2.gz ZQBFXUMJPGJBRS-NSHDSACASA-N 0 0 301.217 4.790 50 0 DJAARN CCc1nc2ccccc2c(C(=O)Nc2cccc(C)c2C)c1C ZINC000000411446 180779702 /nfs/dbraw/zinc/77/97/02/180779702.db2.gz XAWSRCLFGKUKGQ-UHFFFAOYSA-N 0 0 318.420 4.975 50 0 DJAARN O=C(NCc1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000000390029 180775294 /nfs/dbraw/zinc/77/52/94/180775294.db2.gz GUHSLRXBXIXEDR-UHFFFAOYSA-N 0 0 310.784 4.815 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)Oc1cccc2cccnc21 ZINC000000395236 180776513 /nfs/dbraw/zinc/77/65/13/180776513.db2.gz YSPNFPHFKPKMLG-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN O=C(Nc1ccc(F)cc1F)Nc1cc(Cl)ccc1Cl ZINC000000397675 180776883 /nfs/dbraw/zinc/77/68/83/180776883.db2.gz AEWILDNOSJPELU-UHFFFAOYSA-N 0 0 317.122 4.916 50 0 DJAARN CSc1ccc(NC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000000399732 180777354 /nfs/dbraw/zinc/77/73/54/180777354.db2.gz ARQLCFSOELKGAT-UHFFFAOYSA-N 0 0 300.427 4.978 50 0 DJAARN O=C1CS[C@@H](c2cccc(F)c2)N1c1ccc2ccccc2c1 ZINC000000423849 180785236 /nfs/dbraw/zinc/78/52/36/180785236.db2.gz ZEIJYQWJDWPNQP-IBGZPJMESA-N 0 0 323.392 4.758 50 0 DJAARN CCc1c(C)c2ccc(OCc3ccccc3C)cc2oc1=O ZINC000000465153 180799349 /nfs/dbraw/zinc/79/93/49/180799349.db2.gz UDNXDILKUTUJHF-UHFFFAOYSA-N 0 0 308.377 4.551 50 0 DJAARN CCc1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000000444019 180793303 /nfs/dbraw/zinc/79/33/03/180793303.db2.gz AVRCCKDJAWANSE-UHFFFAOYSA-N 0 0 305.830 4.633 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000000450059 180794867 /nfs/dbraw/zinc/79/48/67/180794867.db2.gz UOGJMGIONUKMPS-UHFFFAOYSA-N 0 0 304.374 4.702 50 0 DJAARN CC(=O)c1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1 ZINC000000450385 180795006 /nfs/dbraw/zinc/79/50/06/180795006.db2.gz BTZRJNCGILZYSV-SDNWHVSQSA-N 0 0 315.372 4.694 50 0 DJAARN CCOc1ccc(Br)cc1CNc1ccc(C)cc1 ZINC000000470584 180801229 /nfs/dbraw/zinc/80/12/29/180801229.db2.gz YCDRASXIHFEHHO-UHFFFAOYSA-N 0 0 320.230 4.768 50 0 DJAARN Cc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000000471639 180801609 /nfs/dbraw/zinc/80/16/09/180801609.db2.gz CGTUGONDEQMEQX-UHFFFAOYSA-N 0 0 317.388 4.826 50 0 DJAARN CC(C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000473258 180801934 /nfs/dbraw/zinc/80/19/34/180801934.db2.gz XFTPTCXGHITSTI-CYBMUJFWSA-N 0 0 317.816 4.869 50 0 DJAARN Nc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)nc1 ZINC000000480507 180804113 /nfs/dbraw/zinc/80/41/13/180804113.db2.gz ITWYRTVROPSBKD-UHFFFAOYSA-N 0 0 305.617 4.775 50 0 DJAARN O=C(Nc1ccccc1)c1ccc(COc2ccccc2)cc1 ZINC000000482493 180804622 /nfs/dbraw/zinc/80/46/22/180804622.db2.gz HJNNBFAGLNOKER-UHFFFAOYSA-N 0 0 303.361 4.518 50 0 DJAARN CCC(CC)C(=O)Nc1ccc(C)cc1NC(=O)C(CC)CC ZINC000000484115 180805333 /nfs/dbraw/zinc/80/53/33/180805333.db2.gz XFMKHUXLUBBUSL-UHFFFAOYSA-N 0 0 318.461 4.744 50 0 DJAARN Fc1cccc(Nc2nc(-c3ccccn3)nc3ccccc32)c1 ZINC000000522060 180812194 /nfs/dbraw/zinc/81/21/94/180812194.db2.gz WDAQVBWLIWUDKH-UHFFFAOYSA-N 0 0 316.339 4.575 50 0 DJAARN S=C(NCc1ccco1)Nc1ccc(Nc2ccccc2)cc1 ZINC000000542575 180817786 /nfs/dbraw/zinc/81/77/86/180817786.db2.gz UJSTXJQVTXLTMY-UHFFFAOYSA-N 0 0 323.421 4.510 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2n1 ZINC000000780346 180832705 /nfs/dbraw/zinc/83/27/05/180832705.db2.gz KESGNDXLAKGLSS-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN O=C(Nc1ccccc1)c1ccccc1CCc1ccccc1 ZINC000001085399 180845997 /nfs/dbraw/zinc/84/59/97/180845997.db2.gz FTIFGUNGDPVCRJ-UHFFFAOYSA-N 0 0 301.389 4.724 50 0 DJAARN Cc1ccccc1Cn1c2ccccc2nc1Cc1ccccc1 ZINC000001135342 180847798 /nfs/dbraw/zinc/84/77/98/180847798.db2.gz NKTBEUHGZIUDMY-UHFFFAOYSA-N 0 0 312.416 4.984 50 0 DJAARN Cc1ccccc1CSCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000001137484 180848022 /nfs/dbraw/zinc/84/80/22/180848022.db2.gz RTIADVJZXVJFEE-UHFFFAOYSA-N 0 0 323.820 4.659 50 0 DJAARN Cc1ccc([C@H]2SC(=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000001278350 180852633 /nfs/dbraw/zinc/85/26/33/180852633.db2.gz ZDYIFDRXCQNIBH-QGZVFWFLSA-N 0 0 307.374 4.675 50 0 DJAARN COc1cc2ncnc(Nc3ccc(C(C)C)cc3)c2cc1OC ZINC000001386790 180858490 /nfs/dbraw/zinc/85/84/90/180858490.db2.gz PIEBEZOMRIIWSS-UHFFFAOYSA-N 0 0 323.396 4.514 50 0 DJAARN Cc1nc(Sc2ccc(Cl)cc2Cl)nc2c1CCC2 ZINC000001394124 180860442 /nfs/dbraw/zinc/86/04/42/180860442.db2.gz JVMKPHPOYVTAGG-UHFFFAOYSA-N 0 0 311.237 4.732 50 0 DJAARN CCCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1 ZINC000001777916 180896056 /nfs/dbraw/zinc/89/60/56/180896056.db2.gz OQUMDHREVZMZEL-SDNWHVSQSA-N 0 0 323.436 4.998 50 0 DJAARN O=C(/C=C/c1cccc2ccccc12)OCc1ccc(F)cc1 ZINC000001790905 180896446 /nfs/dbraw/zinc/89/64/46/180896446.db2.gz QJDNQPSWDQZXSQ-JLHYYAGUSA-N 0 0 306.336 4.736 50 0 DJAARN COC(=O)c1c(C)oc2ccc(OC/C=C/c3ccccc3)cc21 ZINC000001797693 180897302 /nfs/dbraw/zinc/89/73/02/180897302.db2.gz FUCDYLNYBASFLD-RMKNXTFCSA-N 0 0 322.360 4.620 50 0 biogenic DJAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000002069580 180908888 /nfs/dbraw/zinc/90/88/88/180908888.db2.gz SWUDJYBUNAACPK-UHFFFAOYSA-N 0 0 324.424 4.684 50 0 DJAARN CCCC[C@@H](CC)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002088198 180909219 /nfs/dbraw/zinc/90/92/19/180909219.db2.gz VRSMMKGPFCIGGI-SSDOTTSWSA-N 0 0 309.278 4.537 50 0 DJAARN O=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000002164199 180913620 /nfs/dbraw/zinc/91/36/20/180913620.db2.gz DMYYTMVFUMDOGC-UHFFFAOYSA-N 0 0 318.372 4.657 50 0 DJAARN Cc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000002165490 180913688 /nfs/dbraw/zinc/91/36/88/180913688.db2.gz QPEYCKLITFOLBF-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN O=C1OC(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000002173577 180914041 /nfs/dbraw/zinc/91/40/41/180914041.db2.gz VOVDJMDRGHNHQX-FQEVSTJZSA-N 0 0 312.368 4.896 50 0 DJAARN CCN(CC)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000002300442 180918423 /nfs/dbraw/zinc/91/84/23/180918423.db2.gz IDKMIHJUKICUBK-UHFFFAOYSA-N 0 0 305.314 4.594 50 0 DJAARN O=C(c1cn(Cc2ccc(F)cc2)c2ccccc12)C(F)(F)F ZINC000002488059 180927377 /nfs/dbraw/zinc/92/73/77/180927377.db2.gz HVFWBWLXOWFPEI-UHFFFAOYSA-N 0 0 321.273 4.574 50 0 DJAARN CCOC(=O)CCCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002379006 180921959 /nfs/dbraw/zinc/92/19/59/180921959.db2.gz DYDFAKWZKZUKPE-UHFFFAOYSA-N 0 0 310.393 4.660 50 0 DJAARN Clc1nc(-c2ccccc2)nc2ccc(Br)cc12 ZINC000002527407 180932592 /nfs/dbraw/zinc/93/25/92/180932592.db2.gz PAGYEVWBXVPXGS-UHFFFAOYSA-N 0 0 319.589 4.713 50 0 DJAARN O=C(Nc1nc2ccccc2s1)C1(c2ccccc2)CCCC1 ZINC000002512639 180929202 /nfs/dbraw/zinc/92/92/02/180929202.db2.gz NGXTVIOATRVAOB-UHFFFAOYSA-N 0 0 322.433 4.747 50 0 DJAARN COc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000002573172 180936583 /nfs/dbraw/zinc/93/65/83/180936583.db2.gz ZJZCGGNUYGEJAZ-UHFFFAOYSA-N 0 0 300.358 4.701 50 0 DJAARN Cc1cccc(Cl)c1NC(=O)c1ccc(-n2cccc2)cc1 ZINC000174425534 198333859 /nfs/dbraw/zinc/33/38/59/198333859.db2.gz XABKABWWMCRWNT-UHFFFAOYSA-N 0 0 310.784 4.691 50 0 DJAARN O=C(Nc1ccc2ccccc2c1)c1ccc2ncsc2c1 ZINC000002627412 180941014 /nfs/dbraw/zinc/94/10/14/180941014.db2.gz HTOCYHNBVMTEFM-UHFFFAOYSA-N 0 0 304.374 4.702 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000002740174 180950886 /nfs/dbraw/zinc/95/08/86/180950886.db2.gz KOTLOBSIBZYETA-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002785562 180956788 /nfs/dbraw/zinc/95/67/88/180956788.db2.gz MRMVJAIBJAZGLY-NWDGAFQWSA-N 0 0 315.726 4.505 50 0 DJAARN CC(C)Cc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 ZINC000002760834 180952641 /nfs/dbraw/zinc/95/26/41/180952641.db2.gz PBWKMVWCOARPOD-UHFFFAOYSA-N 0 0 314.454 4.747 50 0 DJAARN CCOc1ccccc1Nc1nc(-c2ccc(O)cc2)cs1 ZINC000002861782 180964025 /nfs/dbraw/zinc/96/40/25/180964025.db2.gz GKFXARRWUQDSRD-UHFFFAOYSA-N 0 0 312.394 4.658 50 0 DJAARN Cc1cccnc1Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002861925 180964597 /nfs/dbraw/zinc/96/45/97/180964597.db2.gz WSPPGEOEXKMSGV-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN Cc1nc2sc(-c3ccccc3)cc2c(NCc2ccco2)n1 ZINC000002889073 180967563 /nfs/dbraw/zinc/96/75/63/180967563.db2.gz LWDRPVQOKYVHEL-UHFFFAOYSA-N 0 0 321.405 4.872 50 0 DJAARN COc1cccc(OCCCCOc2c(C)cccc2C)c1 ZINC000002904360 180969018 /nfs/dbraw/zinc/96/90/18/180969018.db2.gz ZETZXAQNNDMOGV-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN COc1ccccc1OCCCCOc1c(C)cccc1C ZINC000002904104 180969078 /nfs/dbraw/zinc/96/90/78/180969078.db2.gz KHSHNVDZVMCLPM-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN COc1ccc(OCCCCOc2ccc(C)c(C)c2)cc1 ZINC000002904641 180969136 /nfs/dbraw/zinc/96/91/36/180969136.db2.gz PFONQNFVYORRMI-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000003060814 180979571 /nfs/dbraw/zinc/97/95/71/180979571.db2.gz CNORKGBHQJSJCI-IBGZPJMESA-N 0 0 321.464 4.524 50 0 DJAARN CCOc1ccccc1OCCOc1ccc(Cl)c(C)c1C ZINC000002983771 180973626 /nfs/dbraw/zinc/97/36/26/180973626.db2.gz SHNDPSZJYFPNMW-UHFFFAOYSA-N 0 0 320.816 4.813 50 0 DJAARN CCOc1ccc(OCCCCOc2ccc(Cl)cc2)cc1 ZINC000002994653 180975165 /nfs/dbraw/zinc/97/51/65/180975165.db2.gz ZJBAHALFXVDMNY-UHFFFAOYSA-N 0 0 320.816 4.977 50 0 DJAARN CCOc1ccc(OCCCOc2cc(C)ccc2Cl)cc1 ZINC000002991317 180975340 /nfs/dbraw/zinc/97/53/40/180975340.db2.gz JYGJPMZAQKEOJP-UHFFFAOYSA-N 0 0 320.816 4.895 50 0 DJAARN Cc1csc(NC(=O)Nc2ccc(F)cc2F)c1Cl ZINC000003120071 180982908 /nfs/dbraw/zinc/98/29/08/180982908.db2.gz ZFJGDWDHBXKZRY-UHFFFAOYSA-N 0 0 302.733 4.632 50 0 DJAARN O=C(NC1CCCCC1)c1sc2cc(F)ccc2c1Cl ZINC000003208409 180991772 /nfs/dbraw/zinc/99/17/72/180991772.db2.gz YTSBALCMEPRGHK-UHFFFAOYSA-N 0 0 311.809 4.756 50 0 DJAARN CC(C)(C)c1ccc(OCc2ccc(-c3nnco3)cc2)cc1 ZINC000003256280 180996934 /nfs/dbraw/zinc/99/69/34/180996934.db2.gz MOIGDYLIZCWVMW-UHFFFAOYSA-N 0 0 308.381 4.613 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc3ncsc3c2)c(Cl)c1 ZINC000003326052 181005453 /nfs/dbraw/zinc/00/54/53/181005453.db2.gz KKKDINXTLSFNGA-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN COc1ccc(NC(=S)N(CCC(C)C)CCC(C)C)cc1 ZINC000003283597 181000101 /nfs/dbraw/zinc/00/01/01/181000101.db2.gz RVYLEIUZUPKSEC-UHFFFAOYSA-N 0 0 322.518 4.786 50 0 DJAARN C[C@H]1Cc2ccccc2N1Cc1cnc(-c2ccccc2)s1 ZINC000003327937 181006184 /nfs/dbraw/zinc/00/61/84/181006184.db2.gz GTJXYSJCAPXTPI-AWEZNQCLSA-N 0 0 306.434 4.761 50 0 DJAARN Cc1cc(C)cc(NC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000003295850 181001472 /nfs/dbraw/zinc/00/14/72/181001472.db2.gz XQBBGIYZOWLPSX-UHFFFAOYSA-N 0 0 308.809 4.905 50 0 DJAARN O=C(Oc1ccccc1-c1ccccc1)c1c(F)cccc1F ZINC000003310569 181002650 /nfs/dbraw/zinc/00/26/50/181002650.db2.gz CKYBDKOSOTUPLX-UHFFFAOYSA-N 0 0 310.299 4.851 50 0 DJAARN CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 ZINC000003308218 181002665 /nfs/dbraw/zinc/00/26/65/181002665.db2.gz BQAXZUBEUBPZGM-UHFFFAOYSA-N 0 0 322.433 4.854 50 0 DJAARN O=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000003315000 181003447 /nfs/dbraw/zinc/00/34/47/181003447.db2.gz MZYARSUCGYSNMJ-UHFFFAOYSA-N 0 0 321.807 4.937 50 0 aggregator DJAARN CCc1cccc(CC)c1NC(=O)CNc1cccc(Cl)c1 ZINC000003376789 181012779 /nfs/dbraw/zinc/01/27/79/181012779.db2.gz UDMGJCUUSVQMLC-UHFFFAOYSA-N 0 0 316.832 4.515 50 0 DJAARN CCOc1ccc(OC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000003330614 181006675 /nfs/dbraw/zinc/00/66/75/181006675.db2.gz MDPPJZSJOQRSIK-UHFFFAOYSA-N 0 0 311.164 4.611 50 0 DJAARN Cc1cccc(C)c1OC(=O)Cc1c(Cl)cccc1Cl ZINC000003332477 181006977 /nfs/dbraw/zinc/00/69/77/181006977.db2.gz KHCTVQNHNBKEEL-UHFFFAOYSA-N 0 0 309.192 4.758 50 0 DJAARN O=C(OCc1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003343475 181009128 /nfs/dbraw/zinc/00/91/28/181009128.db2.gz FLMCOBQGOWMUGM-UHFFFAOYSA-N 0 0 314.812 4.895 50 0 DJAARN COc1ccccc1CNc1nc(C)c(-c2ccccc2)s1 ZINC000003350764 181009794 /nfs/dbraw/zinc/00/97/94/181009794.db2.gz HYOAZAKPXWDLNP-UHFFFAOYSA-N 0 0 310.422 4.739 50 0 DJAARN Cc1ccc(NC(=O)CNc2cccc3ccccc32)c(C)c1 ZINC000003413011 181016404 /nfs/dbraw/zinc/01/64/04/181016404.db2.gz GOXFZPBWMQUTSR-UHFFFAOYSA-N 0 0 304.393 4.507 50 0 DJAARN O=C(Nc1ccc(F)c(F)c1)c1ccccc1-c1ccccc1 ZINC000003408885 181016634 /nfs/dbraw/zinc/01/66/34/181016634.db2.gz WVAZMXXGWCVAPP-UHFFFAOYSA-N 0 0 309.315 4.884 50 0 DJAARN CSCc1ccc(C(=O)Nc2cccc(SC)c2)cc1 ZINC000003438938 181019350 /nfs/dbraw/zinc/01/93/50/181019350.db2.gz NTKGVJJLEHWVON-UHFFFAOYSA-N 0 0 303.452 4.524 50 0 DJAARN COc1ccc(-c2csc(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000003435872 181019646 /nfs/dbraw/zinc/01/96/46/181019646.db2.gz YWPIHBIPCLTARK-UHFFFAOYSA-N 0 0 311.406 4.803 50 0 DJAARN Cc1ccccc1COc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000003442552 181020175 /nfs/dbraw/zinc/02/01/75/181020175.db2.gz JIJSVKXHVZKPJL-LBPRGKRZSA-N 0 0 324.449 4.704 50 0 DJAARN Cc1ccc(NC(=O)c2cc(C)cc(C)c2)c(Br)c1 ZINC000003444791 181020772 /nfs/dbraw/zinc/02/07/72/181020772.db2.gz ATAYYDFPZHJNIB-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN Cc1sc2ncnc(N[C@@H]3CCCc4ccccc43)c2c1C ZINC000003446214 181021020 /nfs/dbraw/zinc/02/10/20/181021020.db2.gz OREDCCIZMDELGG-OAHLLOKOSA-N 0 0 309.438 4.798 50 0 DJAARN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000003449467 181021494 /nfs/dbraw/zinc/02/14/94/181021494.db2.gz JXJQTVSYJBRNQD-SECBINFHSA-N 0 0 312.171 4.624 50 0 DJAARN Cc1ccc(CSc2nnc3sc4ccccc4n23)cc1 ZINC000003495556 181026187 /nfs/dbraw/zinc/02/61/87/181026187.db2.gz PPLWUMMAKYQHRM-UHFFFAOYSA-N 0 0 311.435 4.545 50 0 DJAARN CCCc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 ZINC000003560713 181034513 /nfs/dbraw/zinc/03/45/13/181034513.db2.gz MZSSGGDORDHXSV-UHFFFAOYSA-N 0 0 312.394 4.608 50 0 DJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1CCCCCCC1 ZINC000003566912 181035885 /nfs/dbraw/zinc/03/58/85/181035885.db2.gz CNOKJNMFMUQHON-CQSZACIVSA-N 0 0 323.864 4.645 50 0 DJAARN Cc1ccc([C@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000003588453 181037755 /nfs/dbraw/zinc/03/77/55/181037755.db2.gz BZMUVKVKOSUZTC-SFHVURJKSA-N 0 0 308.425 4.633 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)Cc1c[nH]c2ccccc12 ZINC000003592063 181037925 /nfs/dbraw/zinc/03/79/25/181037925.db2.gz GOKAPVNQUUOBKE-UHFFFAOYSA-N 0 0 306.409 4.781 50 0 DJAARN Cc1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000003598402 181038394 /nfs/dbraw/zinc/03/83/94/181038394.db2.gz MOKFGGVSJWPCDY-UHFFFAOYSA-N 0 0 308.208 4.791 50 0 DJAARN Cc1cc(C)c(NC(=O)CSc2ccccc2)c(Cl)c1 ZINC000003604020 181039510 /nfs/dbraw/zinc/03/95/10/181039510.db2.gz BNBCKJPZTITHEU-UHFFFAOYSA-N 0 0 305.830 4.688 50 0 DJAARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003861150 181050312 /nfs/dbraw/zinc/05/03/12/181050312.db2.gz ORNBQBCIOKFOEO-QGVNFLHTSA-N 0 0 316.485 4.515 50 0 biogenic,world DJAARN CCCCOC(=O)CCCCCCCCC(=O)OCCCC ZINC000003875764 181051491 /nfs/dbraw/zinc/05/14/91/181051491.db2.gz PYGXAGIECVVIOZ-UHFFFAOYSA-N 0 0 314.466 4.794 50 0 endogenous,in-man DJAARN Cc1cccc(COc2cc3oc(=O)cc(C)c3cc2Cl)c1 ZINC000003892435 181053061 /nfs/dbraw/zinc/05/30/61/181053061.db2.gz XTWUBRHAVLHQGS-UHFFFAOYSA-N 0 0 314.768 4.642 50 0 DJAARN Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2cnccn21 ZINC000003896532 181053659 /nfs/dbraw/zinc/05/36/59/181053659.db2.gz JTGOSGXRCGTBBY-UHFFFAOYSA-N 0 0 320.421 4.818 50 0 DJAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000003833914 181047647 /nfs/dbraw/zinc/04/76/47/181047647.db2.gz FLKDHRZDKKOFRK-UHFFFAOYSA-N 0 0 301.389 4.626 50 0 DJAARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003833954 181047963 /nfs/dbraw/zinc/04/79/63/181047963.db2.gz AURFZBICLPNKBZ-FZCSVUEKSA-N 0 0 318.501 4.595 50 0 endogenous,investigational DJAARN CCCCCC[C@@H]1OC[C@@]2(COC(C)=O)[C@H](C)[C@@H]1C(C)=C[C@@H]2C ZINC000004027016 181063349 /nfs/dbraw/zinc/06/33/49/181063349.db2.gz AJARVPVQKHTUGJ-HHUCQEJWSA-N 0 0 322.489 4.753 50 0 biogenic DJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Cl)c2)c1 ZINC000003958967 181059417 /nfs/dbraw/zinc/05/94/17/181059417.db2.gz SLNSWQSHHMVCKA-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN CCSC1=NC(C)(C)C=C(C=Cc2ccc(Cl)cc2)N1 ZINC000004001980 181061258 /nfs/dbraw/zinc/06/12/58/181061258.db2.gz QAUQMECAJLEXFZ-JXMROGBWSA-N 0 0 306.862 4.728 50 0 DJAARN CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c[nH]c2ccccc12 ZINC000004089687 181072241 /nfs/dbraw/zinc/07/22/41/181072241.db2.gz DYSVOABAIBRTPV-NRFANRHFSA-N 0 0 315.420 4.617 50 0 biogenic DJAARN O=[P@]1(c2ccccc2)Oc2ccccc2NC12CCCCC2 ZINC000004052040 181067288 /nfs/dbraw/zinc/06/72/88/181067288.db2.gz BDYUDUPCGLPZEB-JOCHJYFZSA-N 0 0 313.337 4.755 50 0 DJAARN O=[P@@]1(c2ccccc2)Oc2ccccc2NC12CCCCC2 ZINC000004052039 181067362 /nfs/dbraw/zinc/06/73/62/181067362.db2.gz BDYUDUPCGLPZEB-QFIPXVFZSA-N 0 0 313.337 4.755 50 0 DJAARN CCc1ccccc1NC(=O)c1cc(Cl)sc1Cl ZINC000004173491 181081701 /nfs/dbraw/zinc/08/17/01/181081701.db2.gz SBCJPLWFHWCFTG-UHFFFAOYSA-N 0 0 300.210 4.870 50 0 DJAARN COc1ccccc1Nc1nc(-c2sc(C)nc2C)cs1 ZINC000004116985 181075471 /nfs/dbraw/zinc/07/54/71/181075471.db2.gz PEGHZXBZZIAMAR-UHFFFAOYSA-N 0 0 317.439 4.636 50 0 DJAARN Cc1nc2c3ccccc3oc2c(N[C@@H](C)c2ccccc2)n1 ZINC000004301379 181094474 /nfs/dbraw/zinc/09/44/74/181094474.db2.gz WGFCGMSZEPNYPI-LBPRGKRZSA-N 0 0 303.365 4.858 50 0 DJAARN O=C(Sc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 ZINC000004365207 181102485 /nfs/dbraw/zinc/10/24/85/181102485.db2.gz NFIIORYTVAYMLM-UHFFFAOYSA-N 0 0 317.719 4.686 50 0 DJAARN C[C@H]1CCc2cc(NC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000004313344 181095862 /nfs/dbraw/zinc/09/58/62/181095862.db2.gz HLQYNLCCEPCGQS-JTQLQIEISA-N 0 0 305.830 4.779 50 0 DJAARN COc1ccccc1NC(=O)C[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000004425737 181108875 /nfs/dbraw/zinc/10/88/75/181108875.db2.gz XJYBAKSVSQKCNC-INIZCTEOSA-N 0 0 311.425 4.519 50 0 DJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1 ZINC000004390363 181106389 /nfs/dbraw/zinc/10/63/89/181106389.db2.gz OVDVFIMPPHISES-UHFFFAOYSA-N 0 0 303.833 4.885 50 0 DJAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1Cl ZINC000004542878 181122482 /nfs/dbraw/zinc/12/24/82/181122482.db2.gz GNPNQCQWLYLWBC-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1c2ccccc2nc2c1CCCC2 ZINC000004542256 181122543 /nfs/dbraw/zinc/12/25/43/181122543.db2.gz YAIIFPHXLCQOCK-UHFFFAOYSA-N 0 0 320.367 4.505 50 0 DJAARN O=C(Nc1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000004542309 181122619 /nfs/dbraw/zinc/12/26/19/181122619.db2.gz AZHXYJHZBKPSMZ-UHFFFAOYSA-N 0 0 302.377 4.921 50 0 DJAARN COc1cccc(/C=C/C(=O)Nc2c(C)cccc2C)c1Cl ZINC000004542740 181122696 /nfs/dbraw/zinc/12/26/96/181122696.db2.gz FGROTGSXPQBXCG-ZHACJKMWSA-N 0 0 315.800 4.617 50 0 DJAARN Cc1ccc(-c2cc(C(=O)OC(C)C)c3ccccc3n2)cc1 ZINC000004523606 181119352 /nfs/dbraw/zinc/11/93/52/181119352.db2.gz DNZXISVLMRXNAE-UHFFFAOYSA-N 0 0 305.377 4.775 50 0 DJAARN Cc1ccc(N2N=C(c3cccnc3)C[C@H]2c2ccccc2)cc1 ZINC000004566933 181125265 /nfs/dbraw/zinc/12/52/65/181125265.db2.gz XYWTYZUVLOUZGT-NRFANRHFSA-N 0 0 313.404 4.746 50 0 DJAARN CCc1ccc(N(C(=O)Nc2ccc(C)cc2)C2=NCCC2)cc1 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ZINC000013004115 181821275 /nfs/dbraw/zinc/82/12/75/181821275.db2.gz SJRNVQSMFSSRGE-CYBMUJFWSA-N 0 0 322.408 4.751 50 0 DJAARN O=C(Nc1ccccc1Cl)c1csc(-c2cccs2)n1 ZINC000012997990 181820113 /nfs/dbraw/zinc/82/01/13/181820113.db2.gz XYRQOSLHTZBYGT-UHFFFAOYSA-N 0 0 320.826 4.777 50 0 DJAARN Cc1c2ccccc2oc1C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000013329596 181844501 /nfs/dbraw/zinc/84/45/01/181844501.db2.gz LKIMWZZWYTVOBS-OAHLLOKOSA-N 0 0 307.393 4.849 50 0 DJAARN CCc1noc(C)c1C(=O)N[C@@H](C)c1ccc([C@H](C)CC)cc1 ZINC000013329117 181844831 /nfs/dbraw/zinc/84/48/31/181844831.db2.gz YDABTVJZSPIGJE-OLZOCXBDSA-N 0 0 314.429 4.550 50 0 DJAARN CCCCc1ccc(NC(=S)NCc2cccs2)cc1 ZINC000013468884 181852752 /nfs/dbraw/zinc/85/27/52/181852752.db2.gz ZIBRCESPLRHTBI-UHFFFAOYSA-N 0 0 304.484 4.577 50 0 DJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1 ZINC000013569661 181863418 /nfs/dbraw/zinc/86/34/18/181863418.db2.gz CXVNHDXHEBHBOW-UHFFFAOYSA-N 0 0 313.357 4.593 50 0 aggregator DJAARN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000013744605 181888035 /nfs/dbraw/zinc/88/80/35/181888035.db2.gz XFVMAVDBVDTYPU-MRVPVSSYSA-N 0 0 315.225 4.938 50 0 DJAARN C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccc(Cl)s1 ZINC000013744597 181888190 /nfs/dbraw/zinc/88/81/90/181888190.db2.gz FRGHOVUVEICIEY-MRVPVSSYSA-N 0 0 315.225 4.938 50 0 DJAARN CC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013807508 181899347 /nfs/dbraw/zinc/89/93/47/181899347.db2.gz MZRZIDNDIZYVMP-AEFFLSMTSA-N 0 0 312.800 4.620 50 0 DJAARN CCCOc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000014669425 181964996 /nfs/dbraw/zinc/96/49/96/181964996.db2.gz QESXDZZFHZSFNK-UHFFFAOYSA-N 0 0 317.816 4.998 50 0 DJAARN Cc1ccn2cc(CNc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000015106026 181989340 /nfs/dbraw/zinc/98/93/40/181989340.db2.gz CRISBAYDJOLQQS-UHFFFAOYSA-N 0 0 306.196 4.562 50 0 DJAARN CN(Cc1ccccc1Cl)C(=O)Cc1ccc2ccccc2c1 ZINC000015545215 182005795 /nfs/dbraw/zinc/00/57/95/182005795.db2.gz UFUIHEZPIQFAIM-UHFFFAOYSA-N 0 0 323.823 4.694 50 0 DJAARN COc1ccc2cc([C@H](C)C(=O)Nc3cccc(F)c3)ccc2c1 ZINC000015577504 182007864 /nfs/dbraw/zinc/00/78/64/182007864.db2.gz JRMGKNZTUXCUBQ-ZDUSSCGKSA-N 0 0 323.367 4.730 50 0 DJAARN Cc1cc(C(=O)CCC(=O)Nc2cc(C)cc(C)c2)c(C)s1 ZINC000015591452 182008192 /nfs/dbraw/zinc/00/81/92/182008192.db2.gz CPQHATXAEVBEPV-UHFFFAOYSA-N 0 0 315.438 4.583 50 0 DJAARN Cc1ccc([C@@H](CC(=O)Nc2ccccc2F)n2cccc2)cc1 ZINC000015771145 182015398 /nfs/dbraw/zinc/01/53/98/182015398.db2.gz YHOHKGWQMOXPIC-LJQANCHMSA-N 0 0 322.383 4.554 50 0 DJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000015837562 182020175 /nfs/dbraw/zinc/02/01/75/182020175.db2.gz MNKMPFBBAKYLQG-AWEZNQCLSA-N 0 0 316.426 4.516 50 0 DJAARN Fc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000015836728 182020509 /nfs/dbraw/zinc/02/05/09/182020509.db2.gz HMQLZFXECSUTLT-QGZVFWFLSA-N 0 0 307.771 4.955 50 0 DJAARN COc1cccc(Cn2c3ccccc3nc2-c2ccc(C)o2)c1 ZINC000015861471 182022623 /nfs/dbraw/zinc/02/26/23/182022623.db2.gz SOSFDNQXKDWHKS-UHFFFAOYSA-N 0 0 318.376 4.662 50 0 DJAARN CCCC(=O)Nc1ccc(-c2ccc3cc(C)ccc3n2)cc1 ZINC000015868546 182022919 /nfs/dbraw/zinc/02/29/19/182022919.db2.gz XHYPVDWFPDJSRQ-UHFFFAOYSA-N 0 0 304.393 4.949 50 0 DJAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1c1cccs1 ZINC000015866956 182022992 /nfs/dbraw/zinc/02/29/92/182022992.db2.gz ORIINEZRPNRGOZ-HNNXBMFYSA-N 0 0 300.427 4.897 50 0 DJAARN O=C(NCc1ccccc1)N1CCCCC[C@H]1c1cccs1 ZINC000015867082 182023189 /nfs/dbraw/zinc/02/31/89/182023189.db2.gz YQEPBONIORIVOV-INIZCTEOSA-N 0 0 314.454 4.575 50 0 DJAARN Cc1ccc2nc(-c3ccc(NC(=O)C4CCC4)cc3)ccc2c1 ZINC000015868527 182023367 /nfs/dbraw/zinc/02/33/67/182023367.db2.gz MZAIJURAHCLJIC-UHFFFAOYSA-N 0 0 316.404 4.949 50 0 DJAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccc(C)cc2C)c1 ZINC000015782254 182016829 /nfs/dbraw/zinc/01/68/29/182016829.db2.gz DQKNBLMQWJLJIB-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 ZINC000016504021 182047358 /nfs/dbraw/zinc/04/73/58/182047358.db2.gz ZGZBOWWUQNOAGS-UHFFFAOYSA-N 0 0 301.389 4.838 50 0 DJAARN Cc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000016504275 182047714 /nfs/dbraw/zinc/04/77/14/182047714.db2.gz GFXWNOZRKOQALQ-ZDUSSCGKSA-N 0 0 318.420 4.853 50 0 DJAARN Cc1ccccc1CSc1nnc(-c2ccccc2Cl)o1 ZINC000016527167 182048260 /nfs/dbraw/zinc/04/82/60/182048260.db2.gz RAUKDXJFTHHBNF-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccccc1OC)N2 ZINC000016647689 182055645 /nfs/dbraw/zinc/05/56/45/182055645.db2.gz JSDGFFUVLZVHDB-DQLDELGASA-N 0 0 323.436 4.892 50 0 DJAARN COc1ccc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000016650725 182056066 /nfs/dbraw/zinc/05/60/66/182056066.db2.gz LHZMSJCAPLSGGD-DBVUQKKJSA-N 0 0 309.409 4.638 50 0 DJAARN COc1ccc(NC2CCC(c3ccccc3)CC2)cc1OC ZINC000016667037 182056769 /nfs/dbraw/zinc/05/67/69/182056769.db2.gz WVNFVIKFUYBQKA-UHFFFAOYSA-N 0 0 311.425 4.842 50 0 DJAARN COc1ccc(CNc2cc(C)c3ccc(Cl)cc3n2)cc1 ZINC000016671379 182056776 /nfs/dbraw/zinc/05/67/76/182056776.db2.gz DVFXOGPZRMKXHN-UHFFFAOYSA-N 0 0 312.800 4.817 50 0 DJAARN Cc1ccnc(SCc2csc(-c3ccccc3C)n2)n1 ZINC000017052528 182070993 /nfs/dbraw/zinc/07/09/93/182070993.db2.gz OCALGEHPVYFCRT-UHFFFAOYSA-N 0 0 313.451 4.509 50 0 DJAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1 ZINC000016996411 182067576 /nfs/dbraw/zinc/06/75/76/182067576.db2.gz DCQXSZWEEDQBBH-UHFFFAOYSA-N 0 0 320.826 4.777 50 0 aggregator DJAARN O=C(Nc1ccc(Cl)c2ncsc21)c1ccc(Cl)cc1 ZINC000017155520 182078088 /nfs/dbraw/zinc/07/80/88/182078088.db2.gz ANMWFURKCKOEOF-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN Fc1ccc(COc2cccc3ccc(N4CCCC4)nc32)cc1 ZINC000017170691 182078582 /nfs/dbraw/zinc/07/85/82/182078582.db2.gz UQWDEUAEWUQYBM-UHFFFAOYSA-N 0 0 322.383 4.553 50 0 DJAARN CCCCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000017113051 182075526 /nfs/dbraw/zinc/07/55/26/182075526.db2.gz PGFDNUXETFZRLR-UHFFFAOYSA-N 0 0 324.837 4.568 50 0 DJAARN CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccccc2)o1 ZINC000017113724 182075892 /nfs/dbraw/zinc/07/58/92/182075892.db2.gz UCWSOLQEKYGQPU-UHFFFAOYSA-N 0 0 317.392 4.863 50 0 DJAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(Cl)c2)c1 ZINC000017198307 182079847 /nfs/dbraw/zinc/07/98/47/182079847.db2.gz NTMBXNCEJARYSN-KRWDZBQOSA-N 0 0 317.841 4.735 50 0 DJAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)c1 ZINC000017198302 182080112 /nfs/dbraw/zinc/08/01/12/182080112.db2.gz NTMBXNCEJARYSN-QGZVFWFLSA-N 0 0 317.841 4.735 50 0 DJAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1 ZINC000017198504 182080251 /nfs/dbraw/zinc/08/02/51/182080251.db2.gz XAXCYYVRYRYJCZ-GOSISDBHSA-N 0 0 315.413 4.728 50 0 DJAARN CC(C)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000018131184 182093988 /nfs/dbraw/zinc/09/39/88/182093988.db2.gz WWYPXGPZMKWRIA-HXUWFJFHSA-N 0 0 320.436 4.614 50 0 DJAARN Cc1ccc(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000018174254 182096684 /nfs/dbraw/zinc/09/66/84/182096684.db2.gz FNOZUYLNNIPCIX-UHFFFAOYSA-N 0 0 322.330 4.678 50 0 DJAARN Fc1ccc([C@H](Nc2ccccn2)c2c[nH]c3ccccc32)cc1 ZINC000019618455 182133502 /nfs/dbraw/zinc/13/35/02/182133502.db2.gz OBIGDXMARAAOSK-FQEVSTJZSA-N 0 0 317.367 4.904 50 0 DJAARN Cc1ccc(C)c(O[C@@H](C)CNc2ccc(F)c(Cl)c2)c1 ZINC000019738015 182141165 /nfs/dbraw/zinc/14/11/65/182141165.db2.gz XHJHJKIEYAANII-ZDUSSCGKSA-N 0 0 307.796 4.975 50 0 DJAARN CCOCCOc1cccc(CNc2cc(Cl)ccc2C)c1 ZINC000019738089 182141220 /nfs/dbraw/zinc/14/12/20/182141220.db2.gz MWDMCYPGYSEKBA-UHFFFAOYSA-N 0 0 319.832 4.676 50 0 DJAARN CCCCOc1ccccc1NCCOc1cc(C)ccc1C ZINC000019738483 182141388 /nfs/dbraw/zinc/14/13/88/182141388.db2.gz AEIUGEYYGKFNHG-UHFFFAOYSA-N 0 0 313.441 4.973 50 0 DJAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000019910007 182163621 /nfs/dbraw/zinc/16/36/21/182163621.db2.gz QLYOFYAIGOAWEE-CQSZACIVSA-N 0 0 313.828 4.781 50 0 DJAARN CCCCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000019891499 182160981 /nfs/dbraw/zinc/16/09/81/182160981.db2.gz VLBMUGQXJZBLTP-MRXNPFEDSA-N 0 0 311.425 4.825 50 0 DJAARN CCCCN1C(=O)C2=C(CCCC2)[C@H]1SCc1ccccc1 ZINC000020131046 182190295 /nfs/dbraw/zinc/19/02/95/182190295.db2.gz PUKYETAMLKKYPB-LJQANCHMSA-N 0 0 315.482 4.759 50 0 DJAARN CSc1ccccc1NC(=O)Nc1ccc(Cl)cc1F ZINC000020275335 182202790 /nfs/dbraw/zinc/20/27/90/182202790.db2.gz IAXULVGKJFWSMM-UHFFFAOYSA-N 0 0 310.781 4.845 50 0 DJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000020356983 182211040 /nfs/dbraw/zinc/21/10/40/182211040.db2.gz SWLTXEHSKFZSOX-OAHLLOKOSA-N 0 0 308.425 4.675 50 0 DJAARN Cc1cccc2c1Oc1nc(-c3ccc(F)cc3)[nH]c(=S)c1C2 ZINC000020380548 182212732 /nfs/dbraw/zinc/21/27/32/182212732.db2.gz MTRDKSPOHKSQTP-UHFFFAOYSA-N 0 0 324.380 4.576 50 0 DJAARN C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000020536128 182227992 /nfs/dbraw/zinc/22/79/92/182227992.db2.gz BOOJOHGCZDNEFZ-VIFPVBQESA-N 0 0 314.332 4.650 50 0 DJAARN CCCn1nc(C)c2c1nc(-c1ccc(F)cc1)cc2C(F)F ZINC000020615741 182239323 /nfs/dbraw/zinc/23/93/23/182239323.db2.gz QNXJMHRVNKJOOJ-UHFFFAOYSA-N 0 0 319.330 4.893 50 0 DJAARN CC[C@@H](NC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000020581177 182234906 /nfs/dbraw/zinc/23/49/06/182234906.db2.gz HNIFRKSCQXHYCP-CQSZACIVSA-N 0 0 306.768 4.752 50 0 DJAARN CCn1ncc2c1nc(-c1ccc(Cl)cc1)cc2C(F)F ZINC000020604126 182237138 /nfs/dbraw/zinc/23/71/38/182237138.db2.gz IOPKYJWOFWATEL-UHFFFAOYSA-N 0 0 307.731 4.709 50 0 DJAARN Cc1cc(C(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 ZINC000020602949 182237179 /nfs/dbraw/zinc/23/71/79/182237179.db2.gz SRYDWGJGFQUIAZ-UHFFFAOYSA-N 0 0 319.330 4.929 50 0 DJAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(C)cc(C(F)F)c12 ZINC000020603134 182237276 /nfs/dbraw/zinc/23/72/76/182237276.db2.gz JZNSSDCRQWJIFC-UHFFFAOYSA-N 0 0 321.758 4.687 50 0 DJAARN Fc1ccc(-c2cc(C(F)F)c3c(n2)onc3C2CC2)cc1 ZINC000020605763 182237737 /nfs/dbraw/zinc/23/77/37/182237737.db2.gz GXGRGJRCANIVNE-UHFFFAOYSA-N 0 0 304.271 4.844 50 0 DJAARN CCCn1nc(C)c2c1nc(-c1ccccc1)cc2C(F)F ZINC000020605872 182237839 /nfs/dbraw/zinc/23/78/39/182237839.db2.gz ILXXSQJZNKEFRU-UHFFFAOYSA-N 0 0 301.340 4.754 50 0 DJAARN FC(F)(F)c1cc(-c2cccs2)nc2onc(C3CC3)c21 ZINC000020605782 182237891 /nfs/dbraw/zinc/23/78/91/182237891.db2.gz XPEYIUUOUXYFLG-UHFFFAOYSA-N 0 0 310.300 4.848 50 0 DJAARN Cc1nc(-c2cc3cc4c(C)c(C)oc4cc3oc2=O)cs1 ZINC000020763303 182247001 /nfs/dbraw/zinc/24/70/01/182247001.db2.gz LUMUMTSDEDGTTB-UHFFFAOYSA-N 0 0 311.362 4.588 50 0 biogenic DJAARN Cc1cc(-c2noc(-c3ccccc3C)n2)c2ccccc2n1 ZINC000020807925 182247656 /nfs/dbraw/zinc/24/76/56/182247656.db2.gz CPFZUHRJYVHIKJ-UHFFFAOYSA-N 0 0 301.349 4.569 50 0 DJAARN O=C(Sc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 ZINC000020896610 182252150 /nfs/dbraw/zinc/25/21/50/182252150.db2.gz MDZBUBJGLNNUCC-UHFFFAOYSA-N 0 0 315.781 4.928 50 0 DJAARN O=C(c1ccccc1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000020896857 182252250 /nfs/dbraw/zinc/25/22/50/182252250.db2.gz SXKAKMZAIVDVGA-UHFFFAOYSA-N 0 0 311.381 4.734 50 0 DJAARN Cc1cc2c(s1)CCc1cc(C(=O)NCCC(C)C)sc1-2 ZINC000021043630 182263184 /nfs/dbraw/zinc/26/31/84/182263184.db2.gz ANGPJLXSDLMAMV-UHFFFAOYSA-N 0 0 319.495 4.660 50 0 DJAARN O=c1cc(CSCc2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000021099079 182265267 /nfs/dbraw/zinc/26/52/67/182265267.db2.gz BBBJDWKTEVQDOT-UHFFFAOYSA-N 0 0 315.825 4.615 50 0 DJAARN CCc1cccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)c1 ZINC000021016231 182260458 /nfs/dbraw/zinc/26/04/58/182260458.db2.gz VILCIJSFOJCNSU-HXUWFJFHSA-N 0 0 318.420 4.669 50 0 DJAARN O=C(C[C@@H](c1ccccc1)n1cccc1)Nc1ccc(Cl)cc1 ZINC000021016069 182260543 /nfs/dbraw/zinc/26/05/43/182260543.db2.gz HGDGJERAJUAFHI-SFHVURJKSA-N 0 0 324.811 4.760 50 0 DJAARN CCOc1ccccc1CN1CCC[C@H]1c1cc(C(C)C)on1 ZINC000021720426 182286442 /nfs/dbraw/zinc/28/64/42/182286442.db2.gz NOZZBRZFQBBRSN-KRWDZBQOSA-N 0 0 314.429 4.534 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1Cc2cccn2-c2ccccc21 ZINC000021522283 182278382 /nfs/dbraw/zinc/27/83/82/182278382.db2.gz JHAJKRNWVXNUFN-UHFFFAOYSA-N 0 0 323.783 4.683 50 0 DJAARN CCCOc1ccc(Oc2ncnc3sc(C)cc32)cc1 ZINC000021641472 182282200 /nfs/dbraw/zinc/28/22/00/182282200.db2.gz PRDOVNKYORAUFX-UHFFFAOYSA-N 0 0 300.383 4.581 50 0 DJAARN C/C=C/c1ccc(OCc2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 ZINC000021658821 182282616 /nfs/dbraw/zinc/28/26/16/182282616.db2.gz VOXOQVHGAPHMLC-AATRIKPKSA-N 0 0 322.408 4.800 50 0 biogenic DJAARN CCOC(=O)c1cnc(Nc2cccc(C)c2C)c2ccccc12 ZINC000021650234 182282691 /nfs/dbraw/zinc/28/26/91/182282691.db2.gz SVIQLKIPNBKIPR-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN CSCc1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000021911439 182298358 /nfs/dbraw/zinc/29/83/58/182298358.db2.gz XFPLLEZDJIXDSI-LBPRGKRZSA-N 0 0 319.857 4.694 50 0 DJAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccoc2)cc1 ZINC000021836447 182294405 /nfs/dbraw/zinc/29/44/05/182294405.db2.gz UHDRGBQDSHVDKW-UHFFFAOYSA-N 0 0 323.348 4.723 50 0 DJAARN C[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1 ZINC000021890326 182296605 /nfs/dbraw/zinc/29/66/05/182296605.db2.gz UVVSJCHIXMCVEY-HNNXBMFYSA-N 0 0 317.392 4.586 50 0 DJAARN CC(C)(C)OC(=O)NCCc1ccc(Oc2ccccc2)cc1 ZINC000021993823 182302419 /nfs/dbraw/zinc/30/24/19/182302419.db2.gz KMGKYFVBDSIXIP-UHFFFAOYSA-N 0 0 313.397 4.546 50 0 DJAARN c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000022016515 182304502 /nfs/dbraw/zinc/30/45/02/182304502.db2.gz DZMNGSPDNIVJMT-UHFFFAOYSA-N 0 0 310.400 4.723 50 0 DJAARN CC(C)CCNC(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000022334134 182318750 /nfs/dbraw/zinc/31/87/50/182318750.db2.gz MWMYPQTXXSVPRX-UHFFFAOYSA-N 0 0 307.846 4.844 50 0 DJAARN CCCNC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022330909 182318907 /nfs/dbraw/zinc/31/89/07/182318907.db2.gz UXGGCDAKQLSARX-UHFFFAOYSA-N 0 0 312.413 4.529 50 0 DJAARN C[C@H](Nc1ncnc2c3ccccc3oc21)c1ccc(F)cc1 ZINC000022342976 182319415 /nfs/dbraw/zinc/31/94/15/182319415.db2.gz OMOUDSRIIHSYGP-NSHDSACASA-N 0 0 307.328 4.688 50 0 DJAARN Cc1ccc(F)cc1NC(=O)c1cc(Cl)sc1Cl ZINC000022395344 182320961 /nfs/dbraw/zinc/32/09/61/182320961.db2.gz BZAALQCWVFKPEW-UHFFFAOYSA-N 0 0 304.173 4.755 50 0 DJAARN Cc1cc(-c2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000022607316 182327825 /nfs/dbraw/zinc/32/78/25/182327825.db2.gz ZBVIIPMOIBZXJG-UHFFFAOYSA-N 0 0 303.340 4.511 50 0 DJAARN CCC(CC)CNC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022633773 182329075 /nfs/dbraw/zinc/32/90/75/182329075.db2.gz JXZWNUGZFGCQCK-UHFFFAOYSA-N 0 0 322.408 4.661 50 0 DJAARN CCCN(CCC)C(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022639756 182329951 /nfs/dbraw/zinc/32/99/51/182329951.db2.gz RZFSHOFLQUNDBK-UHFFFAOYSA-N 0 0 322.408 4.757 50 0 DJAARN CCOc1cccc(-c2nc3cc(C(C)(C)C)ccc3o2)c1O ZINC000022645974 182330004 /nfs/dbraw/zinc/33/00/04/182330004.db2.gz MMPMSJLETZTUMT-UHFFFAOYSA-N 0 0 311.381 4.897 50 0 DJAARN CCc1nnc(-c2cc3ccccc3n2Cc2ccccc2C)o1 ZINC000022714359 182331722 /nfs/dbraw/zinc/33/17/22/182331722.db2.gz CDKJNTPCELBBEH-UHFFFAOYSA-N 0 0 317.392 4.610 50 0 DJAARN CCOc1ccc2cc(C(=O)c3ccc(Cl)s3)oc2c1 ZINC000022452655 182322236 /nfs/dbraw/zinc/32/22/36/182322236.db2.gz XPTWTGMKALNPTE-UHFFFAOYSA-N 0 0 306.770 4.777 50 0 DJAARN CC[C@H](C)C(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1 ZINC000022468074 182323131 /nfs/dbraw/zinc/32/31/31/182323131.db2.gz BTPRTQFYFRAZHH-JTQLQIEISA-N 0 0 313.426 4.584 50 0 DJAARN COc1ccc(F)cc1-c1csc(NC2CCCCC2)n1 ZINC000022504195 182323571 /nfs/dbraw/zinc/32/35/71/182323571.db2.gz GVCUJHIZEUCHAY-UHFFFAOYSA-N 0 0 306.406 4.702 50 0 DJAARN CCCCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527294 182324787 /nfs/dbraw/zinc/32/47/87/182324787.db2.gz XLMUUHTUMUOHQK-ZFAMOUDISA-N 0 0 319.448 4.590 50 0 DJAARN C/C(=C\c1ccccc1)CN1CCc2c3ccccc3[nH]c2C1 ZINC000023282040 182355375 /nfs/dbraw/zinc/35/53/75/182355375.db2.gz PQOJBOCNSPOBPP-DTQAZKPQSA-N 0 0 302.421 4.630 50 0 DJAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C)nc2)c1 ZINC000023042041 182345854 /nfs/dbraw/zinc/34/58/54/182345854.db2.gz FSRHDYJGQBQWSB-UHFFFAOYSA-N 0 0 316.404 4.545 50 0 DJAARN O=C(Cc1ccc2ccccc2c1)Nc1cnc2ccccc2c1 ZINC000023075087 182346050 /nfs/dbraw/zinc/34/60/50/182346050.db2.gz BCXMHSNGZLBMSC-UHFFFAOYSA-N 0 0 312.372 4.569 50 0 DJAARN CN(Cc1ccccc1-c1ccccc1)C(=O)/C=C\c1ccco1 ZINC000098009342 193773263 /nfs/dbraw/zinc/77/32/63/193773263.db2.gz FLISTCXNFDCDDU-YPKPFQOOSA-N 0 0 317.388 4.618 50 0 DJAARN CC(C)(C(=O)Nc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000024831061 182392303 /nfs/dbraw/zinc/39/23/03/182392303.db2.gz BECDSMLJZQAITM-UHFFFAOYSA-N 0 0 323.314 4.502 50 0 DJAARN C[C@H](NC(=O)CCc1ccsc1)c1cccc2ccccc21 ZINC000024650103 182385849 /nfs/dbraw/zinc/38/58/49/182385849.db2.gz MNNXCTJKACQXGJ-AWEZNQCLSA-N 0 0 309.434 4.711 50 0 DJAARN C/C=C/C=C/C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000024864244 182393021 /nfs/dbraw/zinc/39/30/21/182393021.db2.gz GFHHDAYLWINRSB-JVOHGSMZSA-N 0 0 311.812 4.678 50 0 DJAARN FC(F)(F)c1ccnc(Oc2ccc(-c3ccccc3)cc2)n1 ZINC000024971174 182396639 /nfs/dbraw/zinc/39/66/39/182396639.db2.gz IUQKQWVEEWBYBM-UHFFFAOYSA-N 0 0 316.282 4.955 50 0 DJAARN CC(C)c1ccc(S[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000027684342 182487379 /nfs/dbraw/zinc/48/73/79/182487379.db2.gz KZNUOFYQFRAPBP-ZDUSSCGKSA-N 0 0 319.495 4.669 50 0 DJAARN O=C(Nc1cc(-c2ccccc2)no1)c1cccc2ccccc21 ZINC000027741999 182489676 /nfs/dbraw/zinc/48/96/76/182489676.db2.gz FYKLYKXZMWLQNQ-UHFFFAOYSA-N 0 0 314.344 4.747 50 0 DJAARN O=C(c1cccs1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000027795725 182491663 /nfs/dbraw/zinc/49/16/63/182491663.db2.gz OZBGUPRNMDHYHL-UHFFFAOYSA-N 0 0 317.797 4.842 50 0 DJAARN Cc1ccc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)o1 ZINC000028604626 182531583 /nfs/dbraw/zinc/53/15/83/182531583.db2.gz OIZZICYQFKFTNO-BUHFOSPRSA-N 0 0 317.388 4.831 50 0 DJAARN Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000031337091 182611464 /nfs/dbraw/zinc/61/14/64/182611464.db2.gz ZKTBVOYQLGJNSM-LLVKDONJSA-N 0 0 323.223 4.530 50 0 DJAARN Cc1ccc2cccc(OCc3cc(F)cc4cccnc43)c2n1 ZINC000031608707 182616970 /nfs/dbraw/zinc/61/69/70/182616970.db2.gz XBBIYEWFDBRVMI-UHFFFAOYSA-N 0 0 318.351 4.810 50 0 DJAARN Cc1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000031943990 182629522 /nfs/dbraw/zinc/62/95/22/182629522.db2.gz PFAGRUROUXPAES-UHFFFAOYSA-N 0 0 307.180 4.757 50 0 DJAARN O=C(Nc1ccccc1)c1cccc(OCc2cccs2)c1 ZINC000032642382 182652096 /nfs/dbraw/zinc/65/20/96/182652096.db2.gz RYQRWHGIGGZFCG-UHFFFAOYSA-N 0 0 309.390 4.579 50 0 DJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C)sc3c2)C1(C)C ZINC000032843311 182670887 /nfs/dbraw/zinc/67/08/87/182670887.db2.gz PBNYLRCNQQWCEE-CZUORRHYSA-N 0 0 314.454 4.782 50 0 DJAARN Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000032905302 182676945 /nfs/dbraw/zinc/67/69/45/182676945.db2.gz YGLZEZISAFASMJ-QGZVFWFLSA-N 0 0 323.367 4.640 50 0 DJAARN Cc1ccc(-c2ncccc2C(=O)Nc2ccccc2C)s1 ZINC000033139065 182694668 /nfs/dbraw/zinc/69/46/68/182694668.db2.gz AUQYDOSYECNCJE-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN CCOc1ccc2ccccc2c1/C=C1\C(=O)Nc2ccccc21 ZINC000033329141 182705331 /nfs/dbraw/zinc/70/53/31/182705331.db2.gz LNJHSMIUCFAGER-AQTBWJFISA-N 0 0 315.372 4.731 50 0 DJAARN CCCCC(=O)Nc1c(-c2ccccc2C)nc2ccc(C)cn21 ZINC000034913367 182743508 /nfs/dbraw/zinc/74/35/08/182743508.db2.gz VIXXQAMYMHSGQI-UHFFFAOYSA-N 0 0 321.424 4.747 50 0 DJAARN Cc1cccc([C@H]2CCCCCN2C(=O)NCc2ccccc2)c1 ZINC000035561706 182780112 /nfs/dbraw/zinc/78/01/12/182780112.db2.gz ORWAFZMFQHMZQW-HXUWFJFHSA-N 0 0 322.452 4.822 50 0 DJAARN O=C(NC1CCCCC1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000035561610 182780162 /nfs/dbraw/zinc/78/01/62/182780162.db2.gz PNCSACDWLNHMNF-GOSISDBHSA-N 0 0 318.436 4.785 50 0 DJAARN CCCOc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000035672120 182785505 /nfs/dbraw/zinc/78/55/05/182785505.db2.gz YPXQIRWDYCBBSX-UHFFFAOYSA-N 0 0 314.772 4.846 50 0 DJAARN CC[C@H](C)NC(=O)c1cncc(-c2cccc(Cl)c2Cl)c1 ZINC000036348958 182817778 /nfs/dbraw/zinc/81/77/78/182817778.db2.gz NYXKHIJXUCIYNK-JTQLQIEISA-N 0 0 323.223 4.584 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000036619683 182829770 /nfs/dbraw/zinc/82/97/70/182829770.db2.gz IQYIPSSVDYRMLR-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)c(C)s1 ZINC000036727578 182838382 /nfs/dbraw/zinc/83/83/82/182838382.db2.gz AGRHWVHYJHNODK-UHFFFAOYSA-N 0 0 314.454 4.526 50 0 DJAARN CCCc1ccc(C(=O)c2ccccc2Br)cc1 ZINC000037357137 182883631 /nfs/dbraw/zinc/88/36/31/182883631.db2.gz XZJWLLALPZMUJJ-UHFFFAOYSA-N 0 0 303.199 4.633 50 0 DJAARN CSc1ccc2ccccc2c1C(=O)N(C(C)C)C(C)C ZINC000038219652 182996387 /nfs/dbraw/zinc/99/63/87/182996387.db2.gz RKLHNKLDUQTUJU-UHFFFAOYSA-N 0 0 301.455 4.821 50 0 DJAARN FC(F)(F)c1cc(Br)c2cc(Cl)ccc2n1 ZINC000038537217 183001530 /nfs/dbraw/zinc/00/15/30/183001530.db2.gz XBWOMWBSPFAUEL-UHFFFAOYSA-N 0 0 310.500 4.670 50 0 DJAARN CCN(C(=O)c1cc2ccccc2cc1OC)c1ccc(F)cc1 ZINC000039978256 183026875 /nfs/dbraw/zinc/02/68/75/183026875.db2.gz ZLLOTTMNHJVSPJ-UHFFFAOYSA-N 0 0 323.367 4.654 50 0 DJAARN CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCc2ccccc21 ZINC000040049946 183030038 /nfs/dbraw/zinc/03/00/38/183030038.db2.gz LXARVNDWBLBPRD-HNNXBMFYSA-N 0 0 320.219 4.753 50 0 DJAARN C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000040058253 183030065 /nfs/dbraw/zinc/03/00/65/183030065.db2.gz AQESSQZYXOTCLR-ACJLOTCBSA-N 0 0 313.828 4.637 50 0 DJAARN CC[C@@H](NC(=O)c1oc2c(cccc2F)c1C)c1cccs1 ZINC000039380281 183016927 /nfs/dbraw/zinc/01/69/27/183016927.db2.gz QYSGCZHEXUCPJC-CYBMUJFWSA-N 0 0 317.385 4.823 50 0 DJAARN CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccccc2Cl)c1 ZINC000039515059 183019301 /nfs/dbraw/zinc/01/93/01/183019301.db2.gz SVJBIXHFYRYOQT-UHFFFAOYSA-N 0 0 317.816 4.524 50 0 DJAARN Cc1cc2cc(NC(=O)c3c(F)cccc3Cl)ccc2[nH]1 ZINC000040081342 183031993 /nfs/dbraw/zinc/03/19/93/183031993.db2.gz CJEFPSPEMRXXBM-UHFFFAOYSA-N 0 0 302.736 4.521 50 0 DJAARN COc1ccccc1N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000040086326 183032240 /nfs/dbraw/zinc/03/22/40/183032240.db2.gz SIYLWKHALKKMQE-NSHDSACASA-N 0 0 317.339 4.613 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040096456 183034035 /nfs/dbraw/zinc/03/40/35/183034035.db2.gz XJRSVUXYDIGCOH-UONOGXRCSA-N 0 0 306.837 4.692 50 0 DJAARN Cc1cc(C)c(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c(C)c1 ZINC000040095796 183034311 /nfs/dbraw/zinc/03/43/11/183034311.db2.gz FSUQRTUDBGHSLE-IAGOWNOFSA-N 0 0 300.446 4.656 50 0 DJAARN CCc1cccc(CC)c1NC(=O)N(C)Cc1cccc(F)c1 ZINC000040098975 183034628 /nfs/dbraw/zinc/03/46/28/183034628.db2.gz VPVGSIWMAXTILE-UHFFFAOYSA-N 0 0 314.404 4.614 50 0 DJAARN CCc1cccc(CC)c1NC(=O)N(C)Cc1ccc(C)cc1 ZINC000040098973 183034631 /nfs/dbraw/zinc/03/46/31/183034631.db2.gz NUOQTUTWVZAPGO-UHFFFAOYSA-N 0 0 310.441 4.784 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1cccc(F)c1 ZINC000040098066 183034983 /nfs/dbraw/zinc/03/49/83/183034983.db2.gz BYBXMXWUGIUAKI-UHFFFAOYSA-N 0 0 314.404 4.921 50 0 DJAARN O=C(Nc1cc(Cl)ccc1F)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000040103862 183035541 /nfs/dbraw/zinc/03/55/41/183035541.db2.gz CSVBZOFXYSFTTA-VXGBXAGGSA-N 0 0 310.800 4.523 50 0 DJAARN CCCOc1ccccc1C(=O)Nc1ccc(C)c2ncccc12 ZINC000041156679 183179598 /nfs/dbraw/zinc/17/95/98/183179598.db2.gz BSBDMQKOJUKGPI-UHFFFAOYSA-N 0 0 320.392 4.584 50 0 DJAARN CC(C)c1ccccc1NC(=O)CCn1ccc2ccccc21 ZINC000042065142 183231425 /nfs/dbraw/zinc/23/14/25/183231425.db2.gz DHCSIMRXQWBXGH-UHFFFAOYSA-N 0 0 306.409 4.794 50 0 DJAARN Cc1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)c(C)c1 ZINC000043142910 183340917 /nfs/dbraw/zinc/34/09/17/183340917.db2.gz STKFAQPOSCBTDT-UHFFFAOYSA-N 0 0 314.351 4.546 50 0 DJAARN CN(CC1CCCCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000043158966 183342254 /nfs/dbraw/zinc/34/22/54/183342254.db2.gz CTMVHVLZKDFJDY-UHFFFAOYSA-N 0 0 314.351 4.749 50 0 DJAARN COc1c(C)cc(C(=O)c2cc(Cl)cc(Cl)c2)cc1C ZINC000043210145 183344270 /nfs/dbraw/zinc/34/42/70/183344270.db2.gz ZQQTZICJFIRZLN-UHFFFAOYSA-N 0 0 309.192 4.850 50 0 DJAARN Cc1ccc(CCC(=O)c2cccc(Br)c2)cc1 ZINC000043212031 183344898 /nfs/dbraw/zinc/34/48/98/183344898.db2.gz IULVLGKQGGBUOS-UHFFFAOYSA-N 0 0 303.199 4.573 50 0 DJAARN C[C@@H](NC(=O)Nc1ccccc1SC(F)F)c1ccccc1 ZINC000043552854 183370985 /nfs/dbraw/zinc/37/09/85/183370985.db2.gz CNMIILJYADFIDG-LLVKDONJSA-N 0 0 322.380 4.884 50 0 DJAARN Cc1nc(-c2cccc(Cl)c2Cl)sc1-c1cc[nH]n1 ZINC000043799002 183386743 /nfs/dbraw/zinc/38/67/43/183386743.db2.gz YPNJYTKKUCKNJH-UHFFFAOYSA-N 0 0 310.209 4.815 50 0 DJAARN COc1ccc(-c2cnc(SC)n2-c2ccc(C)cc2)cc1 ZINC000044085507 183394094 /nfs/dbraw/zinc/39/40/94/183394094.db2.gz WKLJYUWSBBMURZ-UHFFFAOYSA-N 0 0 310.422 4.578 50 0 DJAARN CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccccc1C ZINC000044086716 183394508 /nfs/dbraw/zinc/39/45/08/183394508.db2.gz GQRQUQKONUFTNV-UHFFFAOYSA-N 0 0 324.449 4.968 50 0 DJAARN O=C(c1cccc2ccccc21)N(Cc1ccsc1)C1CC1 ZINC000044446553 183409896 /nfs/dbraw/zinc/40/98/96/183409896.db2.gz DDJUJVRIQJCMGJ-UHFFFAOYSA-N 0 0 307.418 4.706 50 0 DJAARN Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000102718201 193920104 /nfs/dbraw/zinc/92/01/04/193920104.db2.gz UVNVEPYLHLSNDG-HNNXBMFYSA-N 0 0 314.772 4.850 50 0 DJAARN Fc1ccc(F)c(C(Cl)(Cl)c2cc(F)ccc2F)c1 ZINC000057425863 184038110 /nfs/dbraw/zinc/03/81/10/184038110.db2.gz XMEXSEJCYNRSSE-UHFFFAOYSA-N 0 0 309.089 4.922 50 0 DJAARN Cc1ccccc1C[S@@](=O)Cc1c(Cl)cccc1Cl ZINC000058132544 184078752 /nfs/dbraw/zinc/07/87/52/184078752.db2.gz IRZXCNNPKYVZHV-IBGZPJMESA-N 0 0 313.249 4.751 50 0 DJAARN Clc1ccc(Oc2ncnc3ccsc32)c2ncccc12 ZINC000058357923 184108888 /nfs/dbraw/zinc/10/88/88/184108888.db2.gz MCDYMWWPKQDGSQ-UHFFFAOYSA-N 0 0 313.769 4.685 50 0 DJAARN CCc1ccccc1NC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000058323204 184104603 /nfs/dbraw/zinc/10/46/03/184104603.db2.gz BUYVOWBPCPXNCI-IBGZPJMESA-N 0 0 322.452 4.878 50 0 DJAARN C[C@H]1CCN(C(=O)c2ccc(Cl)nc2Cl)c2ccccc21 ZINC000060245825 184145452 /nfs/dbraw/zinc/14/54/52/184145452.db2.gz AOEQBQLYKUBAFP-JTQLQIEISA-N 0 0 321.207 4.542 50 0 DJAARN CCN(Cc1ncc(C(C)(C)C)o1)Cc1cccc(Cl)c1 ZINC000059038007 184133818 /nfs/dbraw/zinc/13/38/18/184133818.db2.gz YCPOKCRVBHKOKU-UHFFFAOYSA-N 0 0 306.837 4.648 50 0 DJAARN COc1cccc(CSCc2cc(F)cc3cccnc32)c1 ZINC000059831236 184141377 /nfs/dbraw/zinc/14/13/77/184141377.db2.gz IRDCVOZUFSYJGE-UHFFFAOYSA-N 0 0 313.397 4.816 50 0 DJAARN O=C(Nc1cccc2c1ccn2Cc1ccccc1)c1ccco1 ZINC000061718756 184185352 /nfs/dbraw/zinc/18/53/52/184185352.db2.gz VORRIAQPRWJGSO-UHFFFAOYSA-N 0 0 316.360 4.535 50 0 DJAARN FC(F)(Cl)[C@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl ZINC000063148499 184273784 /nfs/dbraw/zinc/27/37/84/184273784.db2.gz QXPPGHDQTVKTDY-SFOWXEAESA-N 0 0 320.299 4.728 50 0 DJAARN c1coc(-c2nc(CNCc3cccc4ccccc43)cs2)c1 ZINC000063775758 184288881 /nfs/dbraw/zinc/28/88/81/184288881.db2.gz POBCUGWHOQFXCT-UHFFFAOYSA-N 0 0 320.417 4.846 50 0 DJAARN Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)c1 ZINC000064579876 184300698 /nfs/dbraw/zinc/30/06/98/184300698.db2.gz CCQPBQARTAMGTD-GOSISDBHSA-N 0 0 313.828 4.555 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2ccnc(-c3ccsc3)c2)c1 ZINC000065063147 184309718 /nfs/dbraw/zinc/30/97/18/184309718.db2.gz VZTIVNFGXCMCDF-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)ccn2)s1 ZINC000065063105 184309996 /nfs/dbraw/zinc/30/99/96/184309996.db2.gz KRVIURNHLYTQDG-UHFFFAOYSA-N 0 0 314.454 4.571 50 0 DJAARN COc1ccc2oc(-c3noc(-c4cccs4)n3)c(C)c2c1 ZINC000065097268 184310711 /nfs/dbraw/zinc/31/07/11/184310711.db2.gz CSUGBSLYXZGUEX-UHFFFAOYSA-N 0 0 312.350 4.528 50 0 DJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)s1 ZINC000064676453 184302312 /nfs/dbraw/zinc/30/23/12/184302312.db2.gz ZFXGOUGEFKGBOE-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)cs2)s1 ZINC000064676452 184302368 /nfs/dbraw/zinc/30/23/68/184302368.db2.gz FADWTTQUUMDMEY-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN CCc1nc(-c2ccc(C(=O)Nc3ccccc3C)cc2)cs1 ZINC000064677439 184302618 /nfs/dbraw/zinc/30/26/18/184302618.db2.gz RWSRLABMAXUHPD-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN CCCCOc1c(Br)cc(C)cc1Br ZINC000065337341 184324978 /nfs/dbraw/zinc/32/49/78/184324978.db2.gz YPLYQGOLPZEQHR-UHFFFAOYSA-N 0 0 322.040 4.699 50 0 DJAARN CC(C)(C)c1cc(Br)c(F)c(Br)c1 ZINC000065356420 184328344 /nfs/dbraw/zinc/32/83/44/184328344.db2.gz SMVYFAKRVXKBND-UHFFFAOYSA-N 0 0 310.004 4.648 50 0 DJAARN O=[S@](Cc1ccc(Cl)cc1)Cc1ccc(F)cc1Cl ZINC000065551301 184365033 /nfs/dbraw/zinc/36/50/33/184365033.db2.gz HAODTOIUVZPZBW-IBGZPJMESA-N 0 0 317.212 4.581 50 0 DJAARN O=[S@@](Cc1ccc(Cl)cc1)Cc1ccc(F)cc1Cl ZINC000065551303 184365047 /nfs/dbraw/zinc/36/50/47/184365047.db2.gz HAODTOIUVZPZBW-LJQANCHMSA-N 0 0 317.212 4.581 50 0 DJAARN O=C(Nc1ccc2ccccc2n1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000065505271 184356004 /nfs/dbraw/zinc/35/60/04/184356004.db2.gz ZWHACGSIRIGRCM-LSDHHAIUSA-N 0 0 322.795 4.630 50 0 DJAARN CC(C)(C)[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1 ZINC000065518964 184358536 /nfs/dbraw/zinc/35/85/36/184358536.db2.gz RRZOLNNPQWSGNH-OAHLLOKOSA-N 0 0 319.495 4.816 50 0 DJAARN Cc1nc2ccccc2n1Cc1cc(-c2cccc(Cl)c2)no1 ZINC000066089045 184388284 /nfs/dbraw/zinc/38/82/84/184388284.db2.gz XVDXKOPNOPHMJP-UHFFFAOYSA-N 0 0 323.783 4.701 50 0 DJAARN Cc1ccc(-c2nc(COc3ccc4ncccc4c3)cs2)o1 ZINC000065948311 184382999 /nfs/dbraw/zinc/38/29/99/184382999.db2.gz VTINNPLRGCHHDL-UHFFFAOYSA-N 0 0 322.389 4.839 50 0 DJAARN CCc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 ZINC000067339837 184460788 /nfs/dbraw/zinc/46/07/88/184460788.db2.gz SKDKDEFRYUEOQZ-PKNBQFBNSA-N 0 0 321.376 4.656 50 0 DJAARN Cc1c2c(cc(-c3ccccc3)[nH]c2=O)c(-c2ccccc2)n1C ZINC000067340070 184461009 /nfs/dbraw/zinc/46/10/09/184461009.db2.gz ZEBJUVPEAHLOEX-UHFFFAOYSA-N 0 0 314.388 4.509 50 0 DJAARN COc1ccc2oc(/C=C/C(=O)Nc3cc(C)cc(C)c3)cc2c1 ZINC000067339839 184461075 /nfs/dbraw/zinc/46/10/75/184461075.db2.gz OCJADANMNHBECY-FNORWQNLSA-N 0 0 321.376 4.710 50 0 DJAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1ccnc1C(C)C ZINC000067885994 184490029 /nfs/dbraw/zinc/49/00/29/184490029.db2.gz PKFBOFXBFUSXJS-UHFFFAOYSA-N 0 0 315.804 4.672 50 0 DJAARN CCc1ccc(OCCCOc2ccc(Cl)cc2C=O)cc1 ZINC000002875998 257243010 /nfs/dbraw/zinc/24/30/10/257243010.db2.gz OQOYNBKJLWMEDA-UHFFFAOYSA-N 0 0 318.800 4.563 50 0 DJAARN CN(CC1CCC1)C(=O)c1ccc(-c2cccc(F)c2F)cc1 ZINC000426621594 257245115 /nfs/dbraw/zinc/24/51/15/257245115.db2.gz IRQMNLAEUSGKIR-UHFFFAOYSA-N 0 0 315.363 4.504 50 0 DJAARN Clc1ccc([C@H](NCc2ccccn2)c2ccsc2)cc1 ZINC000067253655 257253804 /nfs/dbraw/zinc/25/38/04/257253804.db2.gz IUFIUAOLPBSESD-KRWDZBQOSA-N 0 0 314.841 4.676 50 0 DJAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000000129306 257266377 /nfs/dbraw/zinc/26/63/77/257266377.db2.gz GBHHXPJSOUPZJR-VGOFMYFVSA-N 0 0 308.425 4.528 50 0 DJAARN c1ccc(-c2cncc(-c3nc([C@H]4CCCCS4)no3)c2)cc1 ZINC000274124659 130208269 /nfs/dbraw/zinc/20/82/69/130208269.db2.gz VLJCILCVMYSJGS-MRXNPFEDSA-N 0 0 323.421 4.757 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 ZINC000000282892 134434174 /nfs/dbraw/zinc/43/41/74/134434174.db2.gz BTABEHKQXWZNNN-UHFFFAOYSA-N 0 0 321.207 4.978 50 0 DJAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCCCC1 ZINC000006831321 134479109 /nfs/dbraw/zinc/47/91/09/134479109.db2.gz QPOZYBLXCUOITP-UHFFFAOYSA-N 0 0 320.864 4.849 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)CCSc1ccccc1 ZINC000000452496 331462497 /nfs/dbraw/zinc/46/24/97/331462497.db2.gz IAWIEKALWRALRY-UHFFFAOYSA-N 0 0 305.830 4.769 50 0 DJAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccco1 ZINC000000452353 331462563 /nfs/dbraw/zinc/46/25/63/331462563.db2.gz WRWHHGZPMMLPOH-UHFFFAOYSA-N 0 0 313.740 4.978 50 0 DJAARN Cc1ccccc1CSCC(=O)Nc1cc(Cl)ccc1C ZINC000000452432 331462665 /nfs/dbraw/zinc/46/26/65/331462665.db2.gz UPIBXEAOFRBOLR-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN c1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 ZINC000000540255 331463641 /nfs/dbraw/zinc/46/36/41/331463641.db2.gz UJKVIMGKOADANM-QGZVFWFLSA-N 0 0 303.390 4.737 50 0 DJAARN Fc1nc(F)c(F)c(Nc2c(Cl)cccc2Cl)c1F ZINC000001768082 331467631 /nfs/dbraw/zinc/46/76/31/331467631.db2.gz HEKMKGAHQCKQKY-UHFFFAOYSA-N 0 0 311.065 4.688 50 0 DJAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 ZINC000007053051 331500833 /nfs/dbraw/zinc/50/08/33/331500833.db2.gz ARPXVXPYHVDXMB-CYBMUJFWSA-N 0 0 317.454 4.618 50 0 DJAARN CSc1ccccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000010511709 331520780 /nfs/dbraw/zinc/52/07/80/331520780.db2.gz DNLXFYPMZISPFM-UHFFFAOYSA-N 0 0 312.221 4.968 50 0 DJAARN O=C(c1ccc2ccccc2c1)N(Cc1cccs1)C1CC1 ZINC000030303865 331619446 /nfs/dbraw/zinc/61/94/46/331619446.db2.gz RMGDKFCZSOUDCK-UHFFFAOYSA-N 0 0 307.418 4.706 50 0 DJAARN c1ccc(-c2[nH]nc(Nc3ccccn3)c2-c2ccccc2)cc1 ZINC000097166253 332193777 /nfs/dbraw/zinc/19/37/77/332193777.db2.gz NVPLASZOJOEZOV-UHFFFAOYSA-N 0 0 312.376 4.882 50 0 DJAARN COc1ccccc1NC(=O)Oc1ccc(Cl)cc1Cl ZINC000000401545 336220232 /nfs/dbraw/zinc/22/02/32/336220232.db2.gz FHCHOTRTLFWFIJ-UHFFFAOYSA-N 0 0 312.152 4.613 50 0 DJAARN Cc1cc(F)ccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000019628257 337353360 /nfs/dbraw/zinc/35/33/60/337353360.db2.gz SNDAQBZMHGUZRH-UHFFFAOYSA-N 0 0 320.367 4.812 50 0 DJAARN CCN(CC)C(=O)C[C@@]1(CCC(C)C)CCO[C@@H](C(C)C)C1 ZINC000008992525 517635042 /nfs/dbraw/zinc/63/50/42/517635042.db2.gz GTTBQRNGTQUNST-MJGOQNOKSA-N 0 0 311.510 4.503 50 0 DJAARN CC[C@@H](c1ccncc1)N(CC)C(=O)C[C@H](C)c1ccccc1 ZINC000157552694 523123832 /nfs/dbraw/zinc/12/38/32/523123832.db2.gz MJAKZWUMQNINBQ-LPHOPBHVSA-N 0 0 310.441 4.575 50 0 DJAARN C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccccc1 ZINC000002628272 525124602 /nfs/dbraw/zinc/12/46/02/525124602.db2.gz ZLPCMAKTPYPZOG-OAHLLOKOSA-N 0 0 321.445 4.809 50 0 DJAARN C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccn1 ZINC000179637427 525670340 /nfs/dbraw/zinc/67/03/40/525670340.db2.gz GRIVWBSFOBFSFC-HNNXBMFYSA-N 0 0 323.440 4.774 50 0 DJAARN COc1ccc(/C=C/C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000000258821 563582801 /nfs/dbraw/zinc/58/28/01/563582801.db2.gz FFEWLBZPJNLBLS-JXMROGBWSA-N 0 0 322.191 4.654 50 0 biogenic DJAARN O=C1CCSc2ccc(Cl)cc2N1Cc1cccc(F)c1 ZINC000001392633 563817371 /nfs/dbraw/zinc/81/73/71/563817371.db2.gz FMIZSGFQDMUAFU-UHFFFAOYSA-N 0 0 321.804 4.508 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccsc2)n1 ZINC000012783108 563830635 /nfs/dbraw/zinc/83/06/35/563830635.db2.gz ZPJUESFBRIEFDL-UHFFFAOYSA-N 0 0 320.826 4.777 50 0 DJAARN COc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Cl)c1 ZINC000000398799 563846092 /nfs/dbraw/zinc/84/60/92/563846092.db2.gz XTXNFGOBIUNGDK-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1cc(Cl)ccc1Cl ZINC000000117106 563219449 /nfs/dbraw/zinc/21/94/49/563219449.db2.gz RMWFQOAMYNRNNH-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN O=C(c1ccc(Cl)cc1Cl)N1CCCc2ccccc21 ZINC000000258897 563233881 /nfs/dbraw/zinc/23/38/81/563233881.db2.gz ZJHFAQJNPFTPQQ-UHFFFAOYSA-N 0 0 306.192 4.586 50 0 DJAARN O=C(/C=C/c1ccc(F)cc1)Nc1cccc(Cl)c1Cl ZINC000000443398 563255043 /nfs/dbraw/zinc/25/50/43/563255043.db2.gz FTOKHNNCRGCPMT-RMKNXTFCSA-N 0 0 310.155 4.784 50 0 DJAARN O=C(Oc1c(Cl)cc(Cl)c2ccccc21)N1CCCC1 ZINC000000610668 563268923 /nfs/dbraw/zinc/26/89/23/563268923.db2.gz MKAHTXIJUOTMMK-UHFFFAOYSA-N 0 0 310.180 4.741 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCCOc1ccc(Cl)cc1 ZINC000002494073 563304663 /nfs/dbraw/zinc/30/46/63/563304663.db2.gz VXVSPCWXCYQBCW-UHFFFAOYSA-N 0 0 306.837 4.862 50 0 DJAARN O=C(Nc1cccs1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219531132 563393941 /nfs/dbraw/zinc/39/39/41/563393941.db2.gz CQDBHARHIISDRA-GFCCVEGCSA-N 0 0 324.496 4.522 50 0 DJAARN O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1Cl ZINC000011203870 563481182 /nfs/dbraw/zinc/48/11/82/563481182.db2.gz FFFJVQVJFQSRBY-MRXNPFEDSA-N 0 0 320.219 4.875 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004096775 560194278 /nfs/dbraw/zinc/19/42/78/560194278.db2.gz AURFZBICLPNKBZ-MNSFQJRNSA-N 0 0 318.501 4.595 50 0 in-vitro DJAARN Cc1cc(C)nc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000027799 563211106 /nfs/dbraw/zinc/21/11/06/563211106.db2.gz DELBSSKZVZCGLM-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN CSc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000365056 563245962 /nfs/dbraw/zinc/24/59/62/563245962.db2.gz KGQYUTCBMYKBFH-UHFFFAOYSA-N 0 0 312.221 4.968 50 0 DJAARN CC[C@H](C(=O)Nc1nc2ccc(C)cc2s1)c1ccccc1 ZINC000000035624 563211230 /nfs/dbraw/zinc/21/12/30/563211230.db2.gz IPVIAMIGYLRNLV-AWEZNQCLSA-N 0 0 310.422 4.737 50 0 DJAARN C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)C1 ZINC000000035996 563211358 /nfs/dbraw/zinc/21/13/58/563211358.db2.gz YHYOZFKTRSUULA-JQWIXIFHSA-N 0 0 314.256 4.938 50 0 DJAARN CCOc1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 ZINC000000046490 563211838 /nfs/dbraw/zinc/21/18/38/563211838.db2.gz LWWIOGOEZILIFO-XNTDXEJSSA-N 0 0 317.388 4.890 50 0 DJAARN O=C(Nc1ccccc1C1CC1)c1ccccc1Br ZINC000000046998 563211899 /nfs/dbraw/zinc/21/18/99/563211899.db2.gz PLRKSKYVIIQFST-UHFFFAOYSA-N 0 0 316.198 4.579 50 0 DJAARN CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2)cc1 ZINC000000056475 563212057 /nfs/dbraw/zinc/21/20/57/563212057.db2.gz VYHBFRJRBHMIQZ-UHFFFAOYSA-N 0 0 324.468 4.610 50 0 DJAARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCCCC1 ZINC000000063319 563212395 /nfs/dbraw/zinc/21/23/95/563212395.db2.gz WSZFAICXMWQOKW-PKNBQFBNSA-N 0 0 315.800 4.626 50 0 DJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(Cl)cc1 ZINC000000064888 563212583 /nfs/dbraw/zinc/21/25/83/563212583.db2.gz UDDDUIQHPUTWPD-UHFFFAOYSA-N 0 0 307.780 4.844 50 0 DJAARN COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000000077040 563213948 /nfs/dbraw/zinc/21/39/48/563213948.db2.gz JDOXVDVRGKOUKJ-UHFFFAOYSA-N 0 0 324.376 4.891 50 0 biogenic DJAARN CCCn1c2ccccc2nc1[C@@H](O)c1cccc2ccccc21 ZINC000000079091 563213968 /nfs/dbraw/zinc/21/39/68/563213968.db2.gz UORCAZZNWUJOPI-FQEVSTJZSA-N 0 0 316.404 4.681 50 0 DJAARN COc1ccc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1 ZINC000000075393 563214100 /nfs/dbraw/zinc/21/41/00/563214100.db2.gz BKNDZOKHIUMNQE-UHFFFAOYSA-N 0 0 323.392 4.522 50 0 DJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000000084468 563214451 /nfs/dbraw/zinc/21/44/51/563214451.db2.gz ANUCIQPFZTXBBF-UHFFFAOYSA-N 0 0 306.601 4.961 50 0 DJAARN CCn1c2ccc(OCc3ccccc3)cc2c2c1C(=O)CCC2 ZINC000000088581 563215353 /nfs/dbraw/zinc/21/53/53/563215353.db2.gz QSLLANJFRRZMDH-UHFFFAOYSA-N 0 0 319.404 4.759 50 0 DJAARN Clc1ccc(-c2nnc3ccc4ccccc4n32)c(Cl)c1 ZINC000000092380 563215768 /nfs/dbraw/zinc/21/57/68/563215768.db2.gz MQJIDLLWIHMBAV-UHFFFAOYSA-N 0 0 314.175 4.856 50 0 DJAARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(Cl)c1 ZINC000000092338 563215775 /nfs/dbraw/zinc/21/57/75/563215775.db2.gz PHYQGXHRUIJUAR-UHFFFAOYSA-N 0 0 303.789 4.730 50 0 DJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000000092000 563215910 /nfs/dbraw/zinc/21/59/10/563215910.db2.gz ULDHJMPGLUWSNC-UHFFFAOYSA-N 0 0 305.708 4.673 50 0 DJAARN Cc1cc2c(cc1C)[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000000090331 563215928 /nfs/dbraw/zinc/21/59/28/563215928.db2.gz ROWDPLKMJQGPHL-CQSZACIVSA-N 0 0 319.326 4.796 50 0 DJAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1cc(C)ccc1C ZINC000000094819 563216417 /nfs/dbraw/zinc/21/64/17/563216417.db2.gz RBKVUQJEQMMOMK-UHFFFAOYSA-N 0 0 324.207 4.871 50 0 DJAARN Fc1ccc(Cn2c3ccccc3nc2Cc2ccccc2)cc1 ZINC000000099225 563217067 /nfs/dbraw/zinc/21/70/67/563217067.db2.gz KMIHSPYTYZNYAV-UHFFFAOYSA-N 0 0 316.379 4.815 50 0 DJAARN O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000000104471 563217491 /nfs/dbraw/zinc/21/74/91/563217491.db2.gz LTRLYQCWADDXGI-LJQANCHMSA-N 0 0 318.351 4.597 50 0 DJAARN Clc1ccc2nc(-c3ccccc3)nc(N3CCCCC3)c2c1 ZINC000000103462 563217648 /nfs/dbraw/zinc/21/76/48/563217648.db2.gz RACDUDJYCUWVRR-UHFFFAOYSA-N 0 0 323.827 4.941 50 0 DJAARN CCC[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1 ZINC000000106825 563218035 /nfs/dbraw/zinc/21/80/35/563218035.db2.gz IJVPHAJQDYIVTO-HNNXBMFYSA-N 0 0 319.857 4.941 50 0 DJAARN CC(C)c1ccc(NC(=O)c2ccc(-c3csnn3)cc2)cc1 ZINC000000107104 563218265 /nfs/dbraw/zinc/21/82/65/563218265.db2.gz RULVKPDNTQOYIA-UHFFFAOYSA-N 0 0 323.421 4.581 50 0 DJAARN O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccs2)s1 ZINC000000110550 563218924 /nfs/dbraw/zinc/21/89/24/563218924.db2.gz FXSZWRDLPDUWGV-RAXLEYEMSA-N 0 0 309.415 4.969 50 0 aggregator DJAARN COc1ccc(NC(=O)C2CCCCC2)cc1OC1CCCC1 ZINC000000118054 563219720 /nfs/dbraw/zinc/21/97/20/563219720.db2.gz OHCGDDHVGLIBCC-UHFFFAOYSA-N 0 0 317.429 4.535 50 0 DJAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000000122266 563220487 /nfs/dbraw/zinc/22/04/87/563220487.db2.gz DDVQXMXQUJYRLD-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)ccc1Cl ZINC000000128428 563221043 /nfs/dbraw/zinc/22/10/43/563221043.db2.gz WWTRAGZRPWDXSY-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN CCN(CC)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000125221 563221087 /nfs/dbraw/zinc/22/10/87/563221087.db2.gz JWYHCAVZBIVDPY-UHFFFAOYSA-N 0 0 317.820 4.830 50 0 DJAARN S=c1nc(-c2cc(-c3ccc(Cl)cc3Cl)no2)cc[nH]1 ZINC000000131284 563221458 /nfs/dbraw/zinc/22/14/58/563221458.db2.gz NTQQXHGUWOPMSO-UHFFFAOYSA-N 0 0 324.192 4.768 50 0 DJAARN c1ccc2[nH]c(CCn3c4ccccc4c4c3CCCC4)nc2c1 ZINC000000132481 563221463 /nfs/dbraw/zinc/22/14/63/563221463.db2.gz WIFXYBMJWNRDPY-UHFFFAOYSA-N 0 0 315.420 4.639 50 0 DJAARN O=C(Nc1ccc2ccccc2n1)c1c(Cl)cccc1Cl ZINC000000130397 563221587 /nfs/dbraw/zinc/22/15/87/563221587.db2.gz WNBSAXUSMNRDNJ-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000000132016 563221611 /nfs/dbraw/zinc/22/16/11/563221611.db2.gz GYPLCXVUSVDMPA-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CC(C)(C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000128839 563221696 /nfs/dbraw/zinc/22/16/96/563221696.db2.gz XLRGMSDRJHFBNO-UHFFFAOYSA-N 0 0 313.241 4.709 50 0 DJAARN CC1CCN(c2ccc(Nc3ncnc4ccccc43)cc2)CC1 ZINC000000132649 563222120 /nfs/dbraw/zinc/22/21/20/563222120.db2.gz WZAPHQIPNPRKKB-UHFFFAOYSA-N 0 0 318.424 4.610 50 0 DJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000000133076 563222148 /nfs/dbraw/zinc/22/21/48/563222148.db2.gz HBIZOHKSKDCHBV-UHFFFAOYSA-N 0 0 305.255 4.704 50 0 DJAARN CC(C)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000144444 563223897 /nfs/dbraw/zinc/22/38/97/563223897.db2.gz SANRBBHHFPJRCX-UHFFFAOYSA-N 0 0 304.777 4.771 50 0 DJAARN CCc1cccc(C)c1NC(=O)N(Cc1ccccc1)C(C)C ZINC000000155270 563225025 /nfs/dbraw/zinc/22/50/25/563225025.db2.gz DNVKEUABYBUEAO-UHFFFAOYSA-N 0 0 310.441 5.000 50 0 DJAARN COc1ccc2oc(C(=O)c3ccc(Cl)c(C)c3)cc2c1 ZINC000000150617 563225138 /nfs/dbraw/zinc/22/51/38/563225138.db2.gz PSBUQBQBRDHSIW-UHFFFAOYSA-N 0 0 300.741 4.634 50 0 DJAARN C[C@H]1CCc2c(sc3ncnc(Sc4ccccc4)c23)C1 ZINC000000154708 563225164 /nfs/dbraw/zinc/22/51/64/563225164.db2.gz JIJLSRRCZFOXKO-NSHDSACASA-N 0 0 312.463 4.967 50 0 DJAARN Cc1cc(C)c(C(N)=O)c(Nc2ccc(C3CCCCC3)cc2)n1 ZINC000000193120 563229811 /nfs/dbraw/zinc/22/98/11/563229811.db2.gz ZVZOBYBRRQOUQZ-UHFFFAOYSA-N 0 0 323.440 4.589 50 0 DJAARN Cc1cc(C)c(OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000000222657 563231631 /nfs/dbraw/zinc/23/16/31/563231631.db2.gz SPCCREMUSVFSLH-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN Cc1ccc(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1C ZINC000000237448 563232092 /nfs/dbraw/zinc/23/20/92/563232092.db2.gz WGNQKHRKWMQINR-UHFFFAOYSA-N 0 0 309.409 4.519 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000000249678 563233501 /nfs/dbraw/zinc/23/35/01/563233501.db2.gz NCLVLUGTPVSCJX-UHFFFAOYSA-N 0 0 314.454 4.572 50 0 DJAARN COc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000000245327 563233613 /nfs/dbraw/zinc/23/36/13/563233613.db2.gz VQOSZEYWSWOJQW-UHFFFAOYSA-N 0 0 303.361 4.615 50 0 DJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000000255660 563234086 /nfs/dbraw/zinc/23/40/86/563234086.db2.gz WQQHINVWJONOAW-UHFFFAOYSA-N 0 0 321.351 4.657 50 0 DJAARN C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000000281562 563235870 /nfs/dbraw/zinc/23/58/70/563235870.db2.gz HLIRGJSKFKWMHE-CHWSQXEVSA-N 0 0 319.857 4.698 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000000288435 563236565 /nfs/dbraw/zinc/23/65/65/563236565.db2.gz IVHGCJHCWUDSIQ-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN O=C(/C=C/c1ccccc1)Nc1nc2ccc(Cl)cc2s1 ZINC000000292183 563236572 /nfs/dbraw/zinc/23/65/72/563236572.db2.gz GFEWBKCJFLEYIY-RMKNXTFCSA-N 0 0 314.797 4.602 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OC(F)F ZINC000000295281 563237218 /nfs/dbraw/zinc/23/72/18/563237218.db2.gz GTFCGJYJTAAXJT-UHFFFAOYSA-N 0 0 312.703 4.585 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000000299591 563237714 /nfs/dbraw/zinc/23/77/14/563237714.db2.gz NGDJTIWSDZCCEE-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN O=C(Nc1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000000299922 563237934 /nfs/dbraw/zinc/23/79/34/563237934.db2.gz UBABNGXTYKQILX-UHFFFAOYSA-N 0 0 305.352 4.596 50 0 DJAARN CC(C)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000000310189 563238890 /nfs/dbraw/zinc/23/88/90/563238890.db2.gz SKCNMLSSWVPGSE-UHFFFAOYSA-N 0 0 318.214 4.825 50 0 DJAARN CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1C ZINC000000309993 563239128 /nfs/dbraw/zinc/23/91/28/563239128.db2.gz OYTKOESZKVZFSD-UHFFFAOYSA-N 0 0 317.816 4.537 50 0 DJAARN CC(C)CC(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000000310142 563239157 /nfs/dbraw/zinc/23/91/57/563239157.db2.gz GRGFJSYSJZOGBX-UHFFFAOYSA-N 0 0 312.344 4.619 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000309922 563239205 /nfs/dbraw/zinc/23/92/05/563239205.db2.gz USXQZTWHIPUVLX-RUDMXATFSA-N 0 0 322.191 4.654 50 0 DJAARN COc1c(Cl)cccc1NC(=O)c1cccc2ccccc21 ZINC000000311024 563239800 /nfs/dbraw/zinc/23/98/00/563239800.db2.gz IGGURXZKORVWIG-UHFFFAOYSA-N 0 0 311.768 4.754 50 0 DJAARN CC(C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000316328 563240134 /nfs/dbraw/zinc/24/01/34/563240134.db2.gz XALNROCCBHBFQP-UHFFFAOYSA-N 0 0 313.241 4.709 50 0 DJAARN Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1Cl ZINC000000316370 563240252 /nfs/dbraw/zinc/24/02/52/563240252.db2.gz OPZVDAGIZNPPRF-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN O=C(COc1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000000320447 563240698 /nfs/dbraw/zinc/24/06/98/563240698.db2.gz KXXGFXQGGKOHAS-UHFFFAOYSA-N 0 0 311.768 4.511 50 0 DJAARN Cc1ccc2ccccc2c1COc1ccc2ccc(=O)oc2c1 ZINC000000317588 563240702 /nfs/dbraw/zinc/24/07/02/563240702.db2.gz QSUZTDBDJLNOGS-UHFFFAOYSA-N 0 0 316.356 4.834 50 0 biogenic DJAARN c1ccc(Cc2nnc(Nc3ccccc3)c3ccccc23)cc1 ZINC000000334622 563241438 /nfs/dbraw/zinc/24/14/38/563241438.db2.gz FSJINLRUQYIBAQ-UHFFFAOYSA-N 0 0 311.388 4.964 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000000335623 563241476 /nfs/dbraw/zinc/24/14/76/563241476.db2.gz WCFMVWHAMHDICK-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN C[NH+](C)Cc1ccccc1Sc1ccccc1Br ZINC000000346501 563242802 /nfs/dbraw/zinc/24/28/02/563242802.db2.gz IPHZDYNMAHVCMZ-UHFFFAOYSA-N 0 0 322.271 4.662 50 0 DJAARN Cc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000000343150 563242807 /nfs/dbraw/zinc/24/28/07/563242807.db2.gz SRWGQEKNNHPZTB-UHFFFAOYSA-N 0 0 305.830 4.520 50 0 DJAARN Clc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000000347804 563243186 /nfs/dbraw/zinc/24/31/86/563243186.db2.gz UIKAQTBBQJSDQE-UHFFFAOYSA-N 0 0 317.179 4.648 50 0 DJAARN O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ccccc1F ZINC000000348208 563243262 /nfs/dbraw/zinc/24/32/62/563243262.db2.gz YNUJHJAPFPEGMP-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000361030 563244255 /nfs/dbraw/zinc/24/42/55/563244255.db2.gz WMBXMUKOZRCBCD-UHFFFAOYSA-N 0 0 319.404 4.810 50 0 DJAARN C1=C(c2ccc(-c3ccccc3)cc2)N2CCCCN=C2S1 ZINC000000359473 563244427 /nfs/dbraw/zinc/24/44/27/563244427.db2.gz KHGDCMWUEWWELQ-UHFFFAOYSA-N 0 0 306.434 4.851 50 0 DJAARN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1 ZINC000000363170 563244767 /nfs/dbraw/zinc/24/47/67/563244767.db2.gz UPQVKMMCZPMBKW-UHFFFAOYSA-N 0 0 317.454 4.734 50 0 DJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(O)cc1 ZINC000000363028 563244777 /nfs/dbraw/zinc/24/47/77/563244777.db2.gz AVRPKWLMPHOADA-UHFFFAOYSA-N 0 0 317.388 4.553 50 0 DJAARN CCCc1ccc([C@H](C)NC(=O)c2c(F)cccc2Cl)cc1 ZINC000000372519 563246499 /nfs/dbraw/zinc/24/64/99/563246499.db2.gz CWRNQYUYLRASFM-LBPRGKRZSA-N 0 0 319.807 4.923 50 0 DJAARN CCCc1ccc([C@@H](C)NC(=O)c2c(F)cccc2Cl)cc1 ZINC000000372518 563246516 /nfs/dbraw/zinc/24/65/16/563246516.db2.gz CWRNQYUYLRASFM-GFCCVEGCSA-N 0 0 319.807 4.923 50 0 DJAARN Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 ZINC000000380970 563247482 /nfs/dbraw/zinc/24/74/82/563247482.db2.gz PRBQEZUEZGZWPB-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN Cc1c(NC(=O)C(C)C)cccc1-c1nc2ccccc2s1 ZINC000000380502 563247528 /nfs/dbraw/zinc/24/75/28/563247528.db2.gz KHGBQOKUFYFYGV-UHFFFAOYSA-N 0 0 310.422 4.866 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O ZINC000000393856 563249875 /nfs/dbraw/zinc/24/98/75/563249875.db2.gz XZOACPDZZYNJER-UHFFFAOYSA-N 0 0 311.768 4.760 50 0 DJAARN CSc1nc2cc(NCc3ccccc3Cl)ccc2[nH]1 ZINC000000393083 563249960 /nfs/dbraw/zinc/24/99/60/563249960.db2.gz WHUFXSFDKACYGU-UHFFFAOYSA-N 0 0 303.818 4.550 50 0 DJAARN Cc1ccc(-n2nc(-c3cccnc3)cc2-c2ccccc2)cc1 ZINC000000392534 563249992 /nfs/dbraw/zinc/24/99/92/563249992.db2.gz WNUBWIRYESKTGT-UHFFFAOYSA-N 0 0 311.388 4.910 50 0 DJAARN Cc1cccc(Cl)c1NC(=O)Oc1cccc2cccnc21 ZINC000000397993 563250598 /nfs/dbraw/zinc/25/05/98/563250598.db2.gz NWHUDLGXQBFPJZ-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN Cc1ccc(C(=O)c2ccccc2)c(NC(=O)C2CCCCC2)c1 ZINC000000409041 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Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)C2CCCC2)c(C)c1 ZINC000034794855 563323930 /nfs/dbraw/zinc/32/39/30/563323930.db2.gz MPGOYTSLFUTVQG-UHFFFAOYSA-N 0 0 323.440 4.700 50 0 DJAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)C(C)C ZINC000034795757 563324687 /nfs/dbraw/zinc/32/46/87/563324687.db2.gz RYTAYCJVZAODGX-UHFFFAOYSA-N 0 0 313.445 4.531 50 0 DJAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)CC(C)(C)C)cc1 ZINC000034912841 563325295 /nfs/dbraw/zinc/32/52/95/563325295.db2.gz XOEADKWGEQHSPZ-UHFFFAOYSA-N 0 0 321.424 4.684 50 0 DJAARN CCc1cc(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 ZINC000005554459 563330386 /nfs/dbraw/zinc/33/03/86/563330386.db2.gz SJJRORZRUVZLGY-UHFFFAOYSA-N 0 0 314.768 4.588 50 0 DJAARN CCC(CC)n1c(COc2ccccc2Cl)n[nH]c1=S ZINC000006172677 563331580 /nfs/dbraw/zinc/33/15/80/563331580.db2.gz ZSJPUEIYNSDBTE-UHFFFAOYSA-N 0 0 311.838 4.534 50 0 DJAARN Cc1ccc(F)cc1NC(=O)/C=C/c1ccc(CC(C)C)cc1 ZINC000002383620 563332690 /nfs/dbraw/zinc/33/26/90/563332690.db2.gz UDHARMFYUNMSPF-PKNBQFBNSA-N 0 0 311.400 4.985 50 0 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Cc1csc(N(C(=O)Cc2ccccc2C)c2ccccc2)n1 ZINC000012796571 563374190 /nfs/dbraw/zinc/37/41/90/563374190.db2.gz FLELWEJYBRWOJB-UHFFFAOYSA-N 0 0 322.433 4.667 50 0 DJAARN CN(Cc1nc2ccccc2s1)Cc1ccc(Cl)cc1 ZINC000032668167 563375549 /nfs/dbraw/zinc/37/55/49/563375549.db2.gz AHNWJMBLRIMIEM-UHFFFAOYSA-N 0 0 302.830 4.582 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(C)c(C)c2)c(C)n1Cc1ccco1 ZINC000012995747 563376746 /nfs/dbraw/zinc/37/67/46/563376746.db2.gz RWVOHCRQPGSZIZ-UHFFFAOYSA-N 0 0 322.408 4.615 50 0 DJAARN Cc1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012998650 563376835 /nfs/dbraw/zinc/37/68/35/563376835.db2.gz CZCDBSGAHIVCTM-UHFFFAOYSA-N 0 0 302.377 4.673 50 0 DJAARN Oc1ccccc1C1=Nc2ccccc2N=C(c2ccco2)C1 ZINC000013123430 563378286 /nfs/dbraw/zinc/37/82/86/563378286.db2.gz HXZRSRJPFKPHKZ-UHFFFAOYSA-N 0 0 302.333 4.631 50 0 DJAARN Clc1ccccc1OCCCCn1cnc2ccccc21 ZINC000013281911 563380095 /nfs/dbraw/zinc/38/00/95/563380095.db2.gz RTGIFQZNOHCXLA-UHFFFAOYSA-N 0 0 300.789 4.549 50 0 DJAARN COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000013326099 563380563 /nfs/dbraw/zinc/38/05/63/563380563.db2.gz LQRPGKXAQRVFQH-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN O=C(Cc1ccccc1Cl)Nc1ccccc1C(F)(F)F ZINC000013326097 563380596 /nfs/dbraw/zinc/38/05/96/563380596.db2.gz JYLAVLQVYMLSEU-UHFFFAOYSA-N 0 0 313.706 4.540 50 0 DJAARN CC[C@@H](NC(=O)c1c(C)onc1-c1ccccc1)c1ccccc1 ZINC000013329191 563381112 /nfs/dbraw/zinc/38/11/12/563381112.db2.gz BRLVWBSYDYGVNC-QGZVFWFLSA-N 0 0 320.392 4.531 50 0 DJAARN Cc1cnc(NC(=O)c2csc(C)c2-c2ccccc2)s1 ZINC000013330249 563381139 /nfs/dbraw/zinc/38/11/39/563381139.db2.gz AYXQIQRMMPMNDW-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN COc1cccc2cc(CN[C@@H](C)c3ccc(F)cc3F)oc21 ZINC000032740423 563388815 /nfs/dbraw/zinc/38/88/15/563388815.db2.gz SHPSJPSYEJLYTR-NSHDSACASA-N 0 0 317.335 4.570 50 0 DJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3CC(C)C)cc1 ZINC000013776582 563389607 /nfs/dbraw/zinc/38/96/07/563389607.db2.gz VCVFBCJHCOXUHC-FPOVZHCZSA-N 0 0 320.436 4.911 50 0 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4.554 50 0 DJAARN Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000000443100 563615004 /nfs/dbraw/zinc/61/50/04/563615004.db2.gz BEJSSLGGYNPFMG-UHFFFAOYSA-N 0 0 308.234 4.562 50 0 DJAARN CC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc21 ZINC000001064340 563618623 /nfs/dbraw/zinc/61/86/23/563618623.db2.gz LHYWXXOHVSEYEA-UHFFFAOYSA-N 0 0 313.784 4.560 50 0 biogenic,in-vitro DJAARN C[C@@H]1CN(c2nc3ccccc3cc2-c2ccccc2)C[C@H](C)O1 ZINC000005275389 563619522 /nfs/dbraw/zinc/61/95/22/563619522.db2.gz JJGWRHQVRKJBHZ-IYBDPMFKSA-N 0 0 318.420 4.515 50 0 DJAARN COC1=CC2=CC[C@H]3[C@H]4CC[C@@]5(CO5)[C@]4(C)CC[C@@H]3[C@]2(C)CC1 ZINC000005370353 563620299 /nfs/dbraw/zinc/62/02/99/563620299.db2.gz HECCEGWAJYZYKW-KXXIFBCNSA-N 0 0 314.469 4.858 50 0 DJAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccco1 ZINC000017382137 563627249 /nfs/dbraw/zinc/62/72/49/563627249.db2.gz MPCXMZAALKWHSX-FQEVSTJZSA-N 0 0 315.376 4.683 50 0 DJAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1F ZINC000000259749 563629164 /nfs/dbraw/zinc/62/91/64/563629164.db2.gz KYJHSHHUDHTPJY-UHFFFAOYSA-N 0 0 303.336 4.649 50 0 DJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F ZINC000000362769 563629725 /nfs/dbraw/zinc/62/97/25/563629725.db2.gz IQQNCZDWYREVSB-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN S=C(Nc1ccccc1Oc1ccccc1)NC1CCCC1 ZINC000000611447 563631715 /nfs/dbraw/zinc/63/17/15/563631715.db2.gz DKAXCXMOXXOTKQ-UHFFFAOYSA-N 0 0 312.438 4.708 50 0 DJAARN Cc1noc(C)c1CSc1nc(-c2ccccc2)cs1 ZINC000007007662 563635490 /nfs/dbraw/zinc/63/54/90/563635490.db2.gz GOTQGXPSHWCWQQ-UHFFFAOYSA-N 0 0 302.424 4.707 50 0 DJAARN Cc1cccc(OCCC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000014739630 563643378 /nfs/dbraw/zinc/64/33/78/563643378.db2.gz UGRFETNTJHRITQ-UHFFFAOYSA-N 0 0 311.425 4.834 50 0 DJAARN Cc1ccc2nc(-c3ccccc3)nc(-c3cccc(N)c3)c2c1 ZINC000000482248 563644560 /nfs/dbraw/zinc/64/45/60/563644560.db2.gz DJSNJLNQCSPHKA-UHFFFAOYSA-N 0 0 311.388 4.854 50 0 DJAARN Clc1ccccc1-c1nc2ccccc2c(N2CCCCC2)n1 ZINC000000499453 563652351 /nfs/dbraw/zinc/65/23/51/563652351.db2.gz JZRBNJDCNYPDCK-UHFFFAOYSA-N 0 0 323.827 4.941 50 0 DJAARN CC(=O)OCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000502561 563653510 /nfs/dbraw/zinc/65/35/10/563653510.db2.gz WOJFSNKACSGJOA-UHFFFAOYSA-N 0 0 322.191 4.664 50 0 DJAARN Cc1cc(=O)oc2cc(OCc3cccc4ccccc43)ccc12 ZINC000000500892 563653566 /nfs/dbraw/zinc/65/35/66/563653566.db2.gz ADQCZQRMMFYKEU-UHFFFAOYSA-N 0 0 316.356 4.834 50 0 biogenic DJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000000505811 563656026 /nfs/dbraw/zinc/65/60/26/563656026.db2.gz IOFQUJNRDKPFTM-AWEZNQCLSA-N 0 0 311.425 4.834 50 0 DJAARN Cc1ccc(C(=O)[C@H](C)Sc2nc3cc(C)ccc3[nH]2)cc1 ZINC000013100650 563656919 /nfs/dbraw/zinc/65/69/19/563656919.db2.gz HODAEDXMRBBPNM-ZDUSSCGKSA-N 0 0 310.422 4.543 50 0 DJAARN Fc1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)nc1 ZINC000049006101 563657365 /nfs/dbraw/zinc/65/73/65/563657365.db2.gz CGAFGUAZBSEAKO-UHFFFAOYSA-N 0 0 305.765 4.741 50 0 DJAARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000102608285 563661166 /nfs/dbraw/zinc/66/11/66/563661166.db2.gz OVSYUBXFOMZKQI-FQEVSTJZSA-N 0 0 320.392 4.931 50 0 DJAARN Cc1noc2c1[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102727966 563661606 /nfs/dbraw/zinc/66/16/06/563661606.db2.gz VFJXMWYZBZWXJM-MRXNPFEDSA-N 0 0 308.381 4.833 50 0 DJAARN Fc1ccccc1Oc1nc(-c2ccncc2)nc2ccccc21 ZINC000000521172 563663953 /nfs/dbraw/zinc/66/39/53/563663953.db2.gz LXTKFDCEIMORFQ-UHFFFAOYSA-N 0 0 317.323 4.623 50 0 DJAARN c1ccc(-c2nn(-c3ccccc3)c3nc4ccccc4nc23)cc1 ZINC000000541826 563668380 /nfs/dbraw/zinc/66/83/80/563668380.db2.gz ADUHKAHGIYOXDM-UHFFFAOYSA-N 0 0 322.371 4.636 50 0 DJAARN Clc1ccc(-c2nnc3sc(C4CCCCC4)nn32)cc1 ZINC000000542041 563668732 /nfs/dbraw/zinc/66/87/32/563668732.db2.gz XWYXKWOLRVLXGM-UHFFFAOYSA-N 0 0 318.833 4.554 50 0 DJAARN CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1C ZINC000000550653 563669962 /nfs/dbraw/zinc/66/99/62/563669962.db2.gz ZNQUBDSGGPNQSB-UHFFFAOYSA-N 0 0 307.393 4.849 50 0 DJAARN Cc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000003525967 563681066 /nfs/dbraw/zinc/68/10/66/563681066.db2.gz ZVDLAOAHMHPGBA-NRFANRHFSA-N 0 0 314.388 4.642 50 0 DJAARN Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012111416 563681223 /nfs/dbraw/zinc/68/12/23/563681223.db2.gz TYLCQOSQRMCCET-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n[nH]2)cc1 ZINC000044837601 563685033 /nfs/dbraw/zinc/68/50/33/563685033.db2.gz HJBIXGKVCUFVNU-UHFFFAOYSA-N 0 0 319.408 4.761 50 0 DJAARN CCc1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000044845427 563685588 /nfs/dbraw/zinc/68/55/88/563685588.db2.gz XYUXCLZDUZXJFP-UHFFFAOYSA-N 0 0 322.330 4.590 50 0 DJAARN Cc1cccc([C@H]2CCCN2C(=O)c2c(F)cccc2Cl)c1 ZINC000046017978 563691603 /nfs/dbraw/zinc/69/16/03/563691603.db2.gz NJGNPEOKJSXZGB-MRXNPFEDSA-N 0 0 317.791 4.765 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1C ZINC000046018545 563691695 /nfs/dbraw/zinc/69/16/95/563691695.db2.gz RDIOGNAKBBFZDD-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000046018373 563691820 /nfs/dbraw/zinc/69/18/20/563691820.db2.gz WXSQNDHWYLTAGV-GOSISDBHSA-N 0 0 324.424 4.763 50 0 DJAARN Cc1ccc(NC(=O)CCCCC(=O)c2ccccc2)c(C)c1 ZINC000048169955 563693268 /nfs/dbraw/zinc/69/32/68/563693268.db2.gz XQDAPFNDWSIADV-UHFFFAOYSA-N 0 0 309.409 4.685 50 0 DJAARN Cc1ccc(-n2nc(-c3ccccn3)cc2-c2ccccc2)cc1 ZINC000019865719 563694955 /nfs/dbraw/zinc/69/49/55/563694955.db2.gz BLNYULRWVKKRLF-UHFFFAOYSA-N 0 0 311.388 4.910 50 0 DJAARN Cc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4ccccc34)[nH]2)o1 ZINC000048361723 563697387 /nfs/dbraw/zinc/69/73/87/563697387.db2.gz VCPUGMLBHBRCNU-CYBMUJFWSA-N 0 0 318.376 4.714 50 0 DJAARN CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000034162734 563698028 /nfs/dbraw/zinc/69/80/28/563698028.db2.gz FGPGANCDNDLUST-LPYKTLRWSA-N 0 0 316.485 4.659 50 0 DJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc(-c2ccccn2)no1 ZINC000000614189 563699172 /nfs/dbraw/zinc/69/91/72/563699172.db2.gz CDEXVWNIWYWOCG-ZDUSSCGKSA-N 0 0 323.396 4.569 50 0 DJAARN CC(C)c1ccsc1C(=O)NCCc1ccc(Cl)s1 ZINC000048936929 563700345 /nfs/dbraw/zinc/70/03/45/563700345.db2.gz AASXZIRQKPJVHB-UHFFFAOYSA-N 0 0 313.875 4.559 50 0 DJAARN CN1c2ccccc2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000101361214 563700371 /nfs/dbraw/zinc/70/03/71/563700371.db2.gz FUMZSKYJQCNQJG-NHCUHLMSSA-N 0 0 313.400 4.844 50 0 DJAARN Cc1nc(CSc2ncc(C(F)(F)F)cc2Cl)oc1C ZINC000049517249 563701716 /nfs/dbraw/zinc/70/17/16/563701716.db2.gz OXSUEFDBRROUQT-UHFFFAOYSA-N 0 0 322.739 4.651 50 0 DJAARN O=C(Nc1cccc2ccccc21)N(CC1CC1)c1cccnc1 ZINC000012324483 563713708 /nfs/dbraw/zinc/71/37/08/563713708.db2.gz GFULGKOYMFHTOU-UHFFFAOYSA-N 0 0 317.392 4.683 50 0 DJAARN C[C@H](Nc1ncnc2cc(Cl)ccc21)c1ccc(Cl)cn1 ZINC000225533139 563758179 /nfs/dbraw/zinc/75/81/79/563758179.db2.gz WNTVABYPTUQUEI-VIFPVBQESA-N 0 0 319.195 4.505 50 0 DJAARN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 ZINC000030655897 563763487 /nfs/dbraw/zinc/76/34/87/563763487.db2.gz NAESSBRKPRNZKC-SFHVURJKSA-N 0 0 316.832 4.539 50 0 DJAARN C[C@@H]1CC(C)(C)N(C)c2ccc(C(=S)N3CCCCC3)cc21 ZINC000226074868 563768450 /nfs/dbraw/zinc/76/84/50/563768450.db2.gz CFYBZCVQXRRDRT-CQSZACIVSA-N 0 0 316.514 4.570 50 0 DJAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253614810 563784926 /nfs/dbraw/zinc/78/49/26/563784926.db2.gz DYVGYXXLXQESJE-KRWUBTSJSA-N 0 0 318.501 4.595 50 0 DJAARN CC(C)=C/C=C/c1sc2ccccc2c1OC(=O)N(C)C ZINC000000993479 563785877 /nfs/dbraw/zinc/78/58/77/563785877.db2.gz SQAJPIQVHDIOCO-YRNVUSSQSA-N 0 0 301.411 4.941 50 0 DJAARN Cc1ccc2c(CC(=O)Nc3cccc(C)c3C)coc2c1C ZINC000001105719 563788715 /nfs/dbraw/zinc/78/87/15/563788715.db2.gz XOPBKNBYFWUSQK-UHFFFAOYSA-N 0 0 307.393 4.848 50 0 DJAARN CCCCOP(=O)(OCCCC)[C@@H](O)c1ccccc1 ZINC000001822644 563796036 /nfs/dbraw/zinc/79/60/36/563796036.db2.gz WXXIFQYVXITZBX-OAHLLOKOSA-N 0 0 300.335 4.504 50 0 DJAARN c1nc2sc3c(c2c(NC2CCCCCC2)n1)CCCC3 ZINC000001972840 563797712 /nfs/dbraw/zinc/79/77/12/563797712.db2.gz YGHGLBMWTMHLSX-UHFFFAOYSA-N 0 0 301.459 4.705 50 0 DJAARN CC1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000230540215 563799039 /nfs/dbraw/zinc/79/90/39/563799039.db2.gz OKEDMRFKDLETRF-UHFFFAOYSA-N 0 0 322.168 4.704 50 0 DJAARN Cc1cccc(-c2nnc([C@@H](C)Nc3ccc(C)c(C)c3)o2)c1 ZINC000012543708 563799578 /nfs/dbraw/zinc/79/95/78/563799578.db2.gz PKIINEGQDZMEBY-OAHLLOKOSA-N 0 0 307.397 4.835 50 0 DJAARN Cc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1C ZINC000003242518 563799813 /nfs/dbraw/zinc/79/98/13/563799813.db2.gz OUIPGPMOOATOQE-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1ccc(-c2nnc([C@@H](C)Nc3cc(C)ccc3C)o2)cc1 ZINC000012551208 563800682 /nfs/dbraw/zinc/80/06/82/563800682.db2.gz IEDDBJNYIXCEDD-OAHLLOKOSA-N 0 0 307.397 4.835 50 0 DJAARN Cc1ccc(-c2nnc([C@H](C)Nc3cc(C)ccc3C)o2)cc1 ZINC000012551210 563800692 /nfs/dbraw/zinc/80/06/92/563800692.db2.gz IEDDBJNYIXCEDD-HNNXBMFYSA-N 0 0 307.397 4.835 50 0 DJAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn21 ZINC000012555231 563800921 /nfs/dbraw/zinc/80/09/21/563800921.db2.gz HNBJNWRUTGZOHZ-UHFFFAOYSA-N 0 0 324.405 4.623 50 0 DJAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000012605774 563803637 /nfs/dbraw/zinc/80/36/37/563803637.db2.gz PXAPDRYJBOYLCE-CQSZACIVSA-N 0 0 317.454 4.618 50 0 DJAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 ZINC000004037953 563807955 /nfs/dbraw/zinc/80/79/55/563807955.db2.gz CROBBBBBHHXVDQ-COXXTLHVSA-N 0 0 314.469 4.677 50 0 biogenic DJAARN CN(C)c1cc(-c2nc3ccccc3s2)c2ccccc2n1 ZINC000012728614 563813533 /nfs/dbraw/zinc/81/35/33/563813533.db2.gz JDSXWQSQYJRJFV-UHFFFAOYSA-N 0 0 305.406 4.578 50 0 DJAARN FC(F)(F)c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000001384046 563814491 /nfs/dbraw/zinc/81/44/91/563814491.db2.gz YNDXBUZRGPNYKL-UHFFFAOYSA-N 0 0 310.706 4.757 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497545 563815186 /nfs/dbraw/zinc/81/51/86/563815186.db2.gz AURFZBICLPNKBZ-GAJPOIFQSA-N 0 0 318.501 4.595 50 0 in-vitro DJAARN CC(C)(C)c1ccc(CN2c3ccccc3CCCC2=O)cc1 ZINC000001386968 563815243 /nfs/dbraw/zinc/81/52/43/563815243.db2.gz WLLFVHIHKAGLFS-UHFFFAOYSA-N 0 0 307.437 4.854 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1cc2cc3ccccc3nc2s1 ZINC000001399192 563817963 /nfs/dbraw/zinc/81/79/63/563817963.db2.gz YQFRXMGUFADPEM-UHFFFAOYSA-N 0 0 322.364 4.841 50 0 DJAARN CSc1nc2ccsc2c(Oc2cccc(C)c2C)n1 ZINC000001398453 563818027 /nfs/dbraw/zinc/81/80/27/563818027.db2.gz NIWONAHYJZZANU-UHFFFAOYSA-N 0 0 302.424 4.822 50 0 DJAARN O=C1CSC(Cc2nc(-c3ccc4ccccc4c3)cs2)=N1 ZINC000001395294 563818029 /nfs/dbraw/zinc/81/80/29/563818029.db2.gz QNOLKOJERUTKGY-UHFFFAOYSA-N 0 0 324.430 4.716 50 0 aggregator DJAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1c(F)cccc1Cl ZINC000001423284 563822785 /nfs/dbraw/zinc/82/27/85/563822785.db2.gz CABNGEWIONNYKQ-JXMROGBWSA-N 0 0 308.139 4.625 50 0 DJAARN C[C@H]1CC=C2C(=C(Nc3ccccc3)C(=O)N2c2ccccc2)C1 ZINC000001424272 563822845 /nfs/dbraw/zinc/82/28/45/563822845.db2.gz WIIKYXITLWXOII-HNNXBMFYSA-N 0 0 316.404 4.713 50 0 DJAARN CCN(CC)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1 ZINC000001421769 563823156 /nfs/dbraw/zinc/82/31/56/563823156.db2.gz PJWBWTCWQUZIAT-UHFFFAOYSA-N 0 0 324.453 4.795 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(F)c1 ZINC000012754102 563824680 /nfs/dbraw/zinc/82/46/80/563824680.db2.gz VXALBOKTHDQYRN-UHFFFAOYSA-N 0 0 320.367 4.757 50 0 DJAARN COc1cccc(CSc2nc3ccccc3n2C(F)F)c1 ZINC000012767225 563826908 /nfs/dbraw/zinc/82/69/08/563826908.db2.gz BMLRATVHQAIQLU-UHFFFAOYSA-N 0 0 320.364 4.732 50 0 DJAARN Clc1cc2cccnc2c(CN2CCCc3ccccc32)c1 ZINC000084581967 563828066 /nfs/dbraw/zinc/82/80/66/563828066.db2.gz ONCHCNSCTLJJKC-UHFFFAOYSA-N 0 0 308.812 4.841 50 0 DJAARN O=C(CCCc1c[nH]c2ccccc12)Oc1ccc2c(c1)CCC2 ZINC000084590680 563828169 /nfs/dbraw/zinc/82/81/69/563828169.db2.gz UBNWGASBMIRJCA-UHFFFAOYSA-N 0 0 319.404 4.585 50 0 DJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)ns1 ZINC000084656459 563828890 /nfs/dbraw/zinc/82/88/90/563828890.db2.gz GRDKOTUWJFHLDS-AWEZNQCLSA-N 0 0 322.433 4.643 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3ccccc32)c1 ZINC000012781470 563830691 /nfs/dbraw/zinc/83/06/91/563830691.db2.gz DXOBMRGVTSDYPP-UHFFFAOYSA-N 0 0 316.404 4.981 50 0 DJAARN Fc1ccc(-c2cc(C(F)(F)F)cnc2OC(F)F)cc1 ZINC000047206626 563832065 /nfs/dbraw/zinc/83/20/65/563832065.db2.gz IJXLJLVUXVYXAQ-UHFFFAOYSA-N 0 0 307.193 4.508 50 0 DJAARN Fc1ccccc1-c1cc(C(F)(F)F)cnc1OC(F)F ZINC000047206622 563832187 /nfs/dbraw/zinc/83/21/87/563832187.db2.gz RPTYMYXUTHXIQX-UHFFFAOYSA-N 0 0 307.193 4.508 50 0 DJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000001457125 563835813 /nfs/dbraw/zinc/83/58/13/563835813.db2.gz WODXKSDTNDMQFC-OAHLLOKOSA-N 0 0 321.420 4.599 50 0 DJAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000006232455 563843882 /nfs/dbraw/zinc/84/38/82/563843882.db2.gz DWTQTKBNUAFFCX-SDNWHVSQSA-N 0 0 309.409 4.645 50 0 DJAARN CC(C)n1ccc2c1cccc2C(=O)Nc1ccc2cc[nH]c2c1 ZINC000085876281 563843925 /nfs/dbraw/zinc/84/39/25/563843925.db2.gz FGQWHPKIXVGHQS-UHFFFAOYSA-N 0 0 317.392 4.956 50 0 biogenic DJAARN CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000001516950 563844145 /nfs/dbraw/zinc/84/41/45/563844145.db2.gz AFHVHPLKUVOZQH-ZDUSSCGKSA-N 0 0 307.315 4.838 50 0 DJAARN Cc1cccc(Cl)c1NC(=O)c1ccc(Br)cc1 ZINC000000398099 563846102 /nfs/dbraw/zinc/84/61/02/563846102.db2.gz VGUDADXHYVRSIC-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN O=C(CC1CCCC1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000012898558 563852615 /nfs/dbraw/zinc/85/26/15/563852615.db2.gz ZCTJMJSSVLOFTE-CQSZACIVSA-N 0 0 309.862 4.573 50 0 DJAARN C[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000012927037 563854936 /nfs/dbraw/zinc/85/49/36/563854936.db2.gz LBUVNLCADNTHCL-NSHDSACASA-N 0 0 308.208 4.527 50 0 DJAARN Cc1ccc2c(c1)nc(N1CCCC[C@@H]1C)nc2-c1ccccc1 ZINC000075109560 563860082 /nfs/dbraw/zinc/86/00/82/563860082.db2.gz ITMZVPSFKODGEY-INIZCTEOSA-N 0 0 317.436 4.984 50 0 DJAARN CC(C)Oc1ccc(NC(=O)N([C@@H](C)C(C)C)C2CC2)c(F)c1 ZINC000075109902 563860240 /nfs/dbraw/zinc/86/02/40/563860240.db2.gz SHSNTUIFRNYXBN-ZDUSSCGKSA-N 0 0 322.424 4.654 50 0 DJAARN C=C=C/C=C/C=C/Oc1ccc(CO)cc1O/C=C/C=C/C=C=C ZINC000075279241 563862761 /nfs/dbraw/zinc/86/27/61/563862761.db2.gz ROBDYPVGKAOPPZ-JGSDLTKASA-N 0 0 320.388 4.759 50 0 DJAARN Cc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1C ZINC000075346796 563863579 /nfs/dbraw/zinc/86/35/79/563863579.db2.gz PMQPOYHYPPSGKC-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN O=C(NCc1ccc(-c2ccsc2)o1)c1cc2ccccc2o1 ZINC000575611021 563865684 /nfs/dbraw/zinc/86/56/84/563865684.db2.gz SMTQDKJPNKFQDT-UHFFFAOYSA-N 0 0 323.373 4.684 50 0 DJAARN O=C(NC1CCCCC1)N1CCC[C@@H]1c1ccccc1Cl ZINC000035476546 563867788 /nfs/dbraw/zinc/86/77/88/563867788.db2.gz BDRIBTKTSGIWRO-MRXNPFEDSA-N 0 0 306.837 4.519 50 0 DJAARN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCCC(C)C)n1 ZINC000035478699 563867924 /nfs/dbraw/zinc/86/79/24/563867924.db2.gz BXSBFOAVRGGAQX-UHFFFAOYSA-N 0 0 324.428 4.614 50 0 DJAARN Cc1ccccc1NC(=O)N[C@H](C)Cc1csc2ccccc12 ZINC000575620776 563868280 /nfs/dbraw/zinc/86/82/80/563868280.db2.gz LZQBDTZXYKYZPM-CQSZACIVSA-N 0 0 324.449 4.962 50 0 DJAARN Cc1cc(SCCOc2ccccc2F)nc2ccccc12 ZINC000012970283 563869618 /nfs/dbraw/zinc/86/96/18/563869618.db2.gz NLAGFCQRRAQAMB-UHFFFAOYSA-N 0 0 313.397 4.853 50 0 DJAARN CCCC(=O)Nc1cc(-c2nc3cc(C)ccc3[nH]2)ccc1C ZINC000075421473 563871088 /nfs/dbraw/zinc/87/10/88/563871088.db2.gz LXBSFDBJTNUKEM-UHFFFAOYSA-N 0 0 307.397 4.585 50 0 DJAARN CCCOc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000012975188 563871503 /nfs/dbraw/zinc/87/15/03/563871503.db2.gz CMXTVRGHAMUVDW-AWEZNQCLSA-N 0 0 323.392 4.713 50 0 DJAARN Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000102718197 563871560 /nfs/dbraw/zinc/87/15/60/563871560.db2.gz UVNVEPYLHLSNDG-OAHLLOKOSA-N 0 0 314.772 4.850 50 0 DJAARN COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(C)cc1Cl ZINC000014095630 563872348 /nfs/dbraw/zinc/87/23/48/563872348.db2.gz VZWFCBMXQGUPGG-RMKNXTFCSA-N 0 0 315.800 4.617 50 0 DJAARN Cc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(C)c1 ZINC000012988486 563873359 /nfs/dbraw/zinc/87/33/59/563873359.db2.gz NSGOHSCNBBFSCC-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN C[C@H](c1ccc(Cl)cc1)N(C)c1ncnc2sccc21 ZINC000012988373 563873380 /nfs/dbraw/zinc/87/33/80/563873380.db2.gz RGYGEHKMQITUKU-SNVBAGLBSA-N 0 0 303.818 4.542 50 0 DJAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1ccc(C)cc1 ZINC000035671937 563874066 /nfs/dbraw/zinc/87/40/66/563874066.db2.gz BIUCGIAGAURMIF-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN CCc1ccc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 ZINC000035671947 563874167 /nfs/dbraw/zinc/87/41/67/563874167.db2.gz RQUUAYCHFOLIPC-UHFFFAOYSA-N 0 0 320.392 4.773 50 0 DJAARN Cc1[nH]c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2c1C ZINC000013004966 563875114 /nfs/dbraw/zinc/87/51/14/563875114.db2.gz WTXYKPGXZZLZON-UHFFFAOYSA-N 0 0 312.800 4.999 50 0 DJAARN CCCCOP(=O)(OCCCC)[C@H](O)c1ccccc1 ZINC000001822643 563881967 /nfs/dbraw/zinc/88/19/67/563881967.db2.gz WXXIFQYVXITZBX-HNNXBMFYSA-N 0 0 300.335 4.504 50 0 DJAARN COc1cccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)c1 ZINC000001848129 563882215 /nfs/dbraw/zinc/88/22/15/563882215.db2.gz RNMZCJZUVXKVFG-UHFFFAOYSA-N 0 0 318.372 4.890 50 0 DJAARN CCC/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(CC)cc21 ZINC000001892465 563882575 /nfs/dbraw/zinc/88/25/75/563882575.db2.gz USJRIJWQNVIKED-ZBJSNUHESA-N 0 0 321.420 4.982 50 0 DJAARN CCC[C@@H](C)c1c(-c2ccccc2)ncn1[C@H]1CC[C@H](O)CC1 ZINC000248199673 563883456 /nfs/dbraw/zinc/88/34/56/563883456.db2.gz UNCUQZOOANRHDM-KBAYOESNSA-N 0 0 312.457 4.930 50 0 DJAARN CC[C@H](C)c1ccc(Cn2c3ccccc3nc2[C@@H](C)O)cc1 ZINC000001926810 563886254 /nfs/dbraw/zinc/88/62/54/563886254.db2.gz IBGKULNXBLBYHF-LSDHHAIUSA-N 0 0 308.425 4.651 50 0 DJAARN Cc1c2oc3c(c2cc2c4c(c(=O)oc12)CCCC4)CCCC3 ZINC000000407789 563886815 /nfs/dbraw/zinc/88/68/15/563886815.db2.gz ATCWTPASWOWPFJ-UHFFFAOYSA-N 0 0 308.377 4.605 50 0 biogenic DJAARN COc1ccc([C@@H]2CCCN2c2nccc3ccc(F)cc32)cc1 ZINC000089442079 563887292 /nfs/dbraw/zinc/88/72/92/563887292.db2.gz ISDDIGZWODXKEQ-IBGZPJMESA-N 0 0 322.383 4.724 50 0 DJAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(F)cc2)cc1 ZINC000064657136 563892406 /nfs/dbraw/zinc/89/24/06/563892406.db2.gz DIWDIQAKBTYLQR-UHFFFAOYSA-N 0 0 318.355 4.587 50 0 DJAARN Cc1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c(C)s1 ZINC000064809574 563894407 /nfs/dbraw/zinc/89/44/07/563894407.db2.gz VEQTXCZHQLRLHO-SFHVURJKSA-N 0 0 311.450 4.657 50 0 DJAARN Cc1nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2nc1C ZINC000036139418 563894451 /nfs/dbraw/zinc/89/44/51/563894451.db2.gz ACWUNTXYSWFZIF-UHFFFAOYSA-N 0 0 319.408 4.622 50 0 DJAARN Cc1ccc(NC(=O)COc2c(C)cc(C)cc2C)c(Cl)c1 ZINC000007973352 563894476 /nfs/dbraw/zinc/89/44/76/563894476.db2.gz SYCRNVMZUIFFOX-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN O=C1C[C@@H](c2ccccc2)c2ncn(-c3ccccc3Cl)c2N1 ZINC000036354048 563895764 /nfs/dbraw/zinc/89/57/64/563895764.db2.gz IODRMUGMDLLCTK-ZDUSSCGKSA-N 0 0 323.783 4.649 50 0 DJAARN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1 ZINC000006861827 563897130 /nfs/dbraw/zinc/89/71/30/563897130.db2.gz HSZABOMGXZVHBE-UHFFFAOYSA-N 0 0 324.207 4.880 50 0 DJAARN Cc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1C ZINC000006876898 563898006 /nfs/dbraw/zinc/89/80/06/563898006.db2.gz JYNLSMZDZFHTQQ-CQSZACIVSA-N 0 0 312.438 4.836 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2)c2ccccc2S1 ZINC000006877039 563898056 /nfs/dbraw/zinc/89/80/56/563898056.db2.gz VAARGSJAUJAQQO-CQSZACIVSA-N 0 0 316.401 4.749 50 0 DJAARN Cc1ccc(C)c(CSc2nnc(C)n3c4ccoc4cc23)c1 ZINC000006894100 563898717 /nfs/dbraw/zinc/89/87/17/563898717.db2.gz LIRKSHZUMMRQJK-UHFFFAOYSA-N 0 0 323.421 4.693 50 0 DJAARN c1csc(-c2nnc(CC34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000006926720 563899703 /nfs/dbraw/zinc/89/97/03/563899703.db2.gz QYALARHHOMWLKM-UHFFFAOYSA-N 0 0 300.427 4.557 50 0 DJAARN CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(C)cc1 ZINC000007073894 563902645 /nfs/dbraw/zinc/90/26/45/563902645.db2.gz DBGOYVHYHHPESE-INIZCTEOSA-N 0 0 302.418 4.572 50 0 DJAARN O=C(Cc1cccs1)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000007285282 563905061 /nfs/dbraw/zinc/90/50/61/563905061.db2.gz JAUOFRPVPMAYBU-UHFFFAOYSA-N 0 0 305.402 4.501 50 0 DJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1c(F)cccc1F ZINC000007349172 563905320 /nfs/dbraw/zinc/90/53/20/563905320.db2.gz GETKPASEUFVHBC-UHFFFAOYSA-N 0 0 319.351 4.523 50 0 DJAARN Cc1cc(C)n2c(nc(-c3ccccc3)c2Nc2ccccc2)n1 ZINC000007499039 563907275 /nfs/dbraw/zinc/90/72/75/563907275.db2.gz XBYUGQMMZODZII-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Cc1ccc(Nc2c(-c3cccs3)nc3ncccn32)c(C)c1 ZINC000007499062 563907443 /nfs/dbraw/zinc/90/74/43/563907443.db2.gz RLGSUFYPQROMRP-UHFFFAOYSA-N 0 0 320.421 4.818 50 0 DJAARN Cc1c(Cl)cccc1NC(=S)NCCC1=CCCCC1 ZINC000007520499 563907642 /nfs/dbraw/zinc/90/76/42/563907642.db2.gz IWGNHKMVBOTMKA-UHFFFAOYSA-N 0 0 308.878 4.825 50 0 DJAARN Cc1ccc(COc2ccc(-c3noc(C(C)C)n3)cc2)cc1 ZINC000037278884 563908112 /nfs/dbraw/zinc/90/81/12/563908112.db2.gz QLSJRNRUZXSYEW-UHFFFAOYSA-N 0 0 308.381 4.747 50 0 DJAARN CCC(CC)S(=O)(=O)Cc1sc2ccccc2c1Cl ZINC000170616950 563908374 /nfs/dbraw/zinc/90/83/74/563908374.db2.gz FXXSTMBRVODELS-UHFFFAOYSA-N 0 0 316.875 4.658 50 0 DJAARN CC[C@H](NC(=O)Nc1ccccc1C)c1ccc(Cl)cc1 ZINC000013328938 563909668 /nfs/dbraw/zinc/90/96/68/563909668.db2.gz YSCYLYXBDDTEIB-HNNXBMFYSA-N 0 0 302.805 4.921 50 0 DJAARN Cc1ccsc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014424916 563910622 /nfs/dbraw/zinc/91/06/22/563910622.db2.gz AUYKXECWGHUBSU-SECBINFHSA-N 0 0 314.237 4.854 50 0 DJAARN O=C(Nc1cccc2cccnc21)c1ccccc1C(F)(F)F ZINC000014517636 563910630 /nfs/dbraw/zinc/91/06/30/563910630.db2.gz SNOKCBSGFSGXSQ-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN O=C(Nc1ccsc1)c1cccnc1Sc1ccccc1 ZINC000089847863 563911502 /nfs/dbraw/zinc/91/15/02/563911502.db2.gz AVIVBLMFBZYENQ-UHFFFAOYSA-N 0 0 312.419 4.547 50 0 DJAARN c1ccc2c(c1)cccc2CSc1nnc(NC2CC2)s1 ZINC000007577446 563911962 /nfs/dbraw/zinc/91/19/62/563911962.db2.gz BHOHNXOBFUCPKF-UHFFFAOYSA-N 0 0 313.451 4.558 50 0 DJAARN CC(C)Sc1ccccc1NC(=O)N(C)CCC(F)(F)F ZINC000089891044 563912031 /nfs/dbraw/zinc/91/20/31/563912031.db2.gz AGNVHKOVAVLOLG-UHFFFAOYSA-N 0 0 320.380 4.603 50 0 DJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000000150767 563912829 /nfs/dbraw/zinc/91/28/29/563912829.db2.gz YIRCMCOCKDVLOY-MRXNPFEDSA-N 0 0 323.436 4.570 50 0 DJAARN Clc1ccc(OCCCCN2CCCc3ccccc32)cc1 ZINC000002823504 563913150 /nfs/dbraw/zinc/91/31/50/563913150.db2.gz NQHSTYANNCGUDE-UHFFFAOYSA-N 0 0 315.844 4.952 50 0 DJAARN Cc1c2c(cc3c1OC1(CCCCC1)O3)OC1(CCCCC1)O2 ZINC000002049240 563915654 /nfs/dbraw/zinc/91/56/54/563915654.db2.gz POVOXVFRGHPEHE-UHFFFAOYSA-N 0 0 316.397 4.858 50 0 DJAARN COc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000007609888 563917163 /nfs/dbraw/zinc/91/71/63/563917163.db2.gz XUFMYFTYHOOIBJ-QGZVFWFLSA-N 0 0 317.816 4.727 50 0 DJAARN CCc1ccccc1NC(=O)CCCc1nc2ccccc2s1 ZINC000007724281 563918199 /nfs/dbraw/zinc/91/81/99/563918199.db2.gz GZHSDCMANWGLAO-UHFFFAOYSA-N 0 0 324.449 4.820 50 0 DJAARN O=C(CC1CCCC1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000007723903 563918361 /nfs/dbraw/zinc/91/83/61/563918361.db2.gz RWMAGNXXBLCJQT-UHFFFAOYSA-N 0 0 322.380 4.607 50 0 DJAARN Cc1cc2nc(Oc3ccc(Cl)cc3C)c3ccccc3n2n1 ZINC000007737794 563918480 /nfs/dbraw/zinc/91/84/80/563918480.db2.gz GTRKVOVRFWWPTC-UHFFFAOYSA-N 0 0 323.783 4.945 50 0 DJAARN CC(C)(C)c1csc(NC(=O)c2cc3ccccc3s2)n1 ZINC000007736485 563918488 /nfs/dbraw/zinc/91/84/88/563918488.db2.gz RGWMIUFUYQPPGD-UHFFFAOYSA-N 0 0 316.451 4.908 50 0 DJAARN CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000007814239 563919896 /nfs/dbraw/zinc/91/98/96/563919896.db2.gz FFXQIVAJCQUOPD-CQSZACIVSA-N 0 0 313.466 4.931 50 0 DJAARN CCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000002228626 563920290 /nfs/dbraw/zinc/92/02/90/563920290.db2.gz LEGBMUNFZPMJOG-UHFFFAOYSA-N 0 0 304.393 4.830 50 0 in-vivo DJAARN COc1ccccc1/C=C/C(=O)Nc1c(C)cc(C)cc1Cl ZINC000001932492 563920438 /nfs/dbraw/zinc/92/04/38/563920438.db2.gz RGTUYPWKFXUSKD-CMDGGOBGSA-N 0 0 315.800 4.617 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@]21CS1 ZINC000252693385 563920469 /nfs/dbraw/zinc/92/04/69/563920469.db2.gz DBMAUQKFWFYPTE-SXJNSPEGSA-N 0 0 318.526 4.796 50 0 biogenic DJAARN Cc1ccc(C)c(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000007917802 563920667 /nfs/dbraw/zinc/92/06/67/563920667.db2.gz AMRHWSHHOXQTRP-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc2c(c1)CCC2 ZINC000007921955 563920913 /nfs/dbraw/zinc/92/09/13/563920913.db2.gz RCMJCUFMOZNCNT-UHFFFAOYSA-N 0 0 316.404 4.593 50 0 DJAARN Cc1cc(F)ccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000007922237 563920997 /nfs/dbraw/zinc/92/09/97/563920997.db2.gz HFKBGNGTFQAKGO-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN c1ccc(C2=N[C@H](C3CCCCC3)N3[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000025586443 563923672 /nfs/dbraw/zinc/92/36/72/563923672.db2.gz DGQMTTFLMATLGQ-URKHTJIESA-N 0 0 316.448 4.821 50 0 DJAARN O=C(c1ccccc1)[C@@]12[C@H]3c4ccccc4[C@@H]1c1ccccc1[C@H]32 ZINC000101186992 563924175 /nfs/dbraw/zinc/92/41/75/563924175.db2.gz MRXZFPPQEICXOC-HOFYVFDJSA-N 0 0 308.380 4.896 50 0 DJAARN COP(=O)(OC)[C@@H](Nc1ccc(C)cc1C)c1ccccc1 ZINC000002300656 563925861 /nfs/dbraw/zinc/92/58/61/563925861.db2.gz FXWCPIRSXYKAKE-QGZVFWFLSA-N 0 0 319.341 4.900 50 0 DJAARN CCC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccccc1 ZINC000002365596 563927316 /nfs/dbraw/zinc/92/73/16/563927316.db2.gz MEATWQOIPITWMF-GOSISDBHSA-N 0 0 313.441 4.848 50 0 DJAARN Cc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1C ZINC000007942455 563928723 /nfs/dbraw/zinc/92/87/23/563928723.db2.gz PRDXXZUKSDKASC-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1 ZINC000007942608 563928724 /nfs/dbraw/zinc/92/87/24/563928724.db2.gz RXIXOWQFGAUJMD-UHFFFAOYSA-N 0 0 321.351 4.581 50 0 DJAARN Cc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000012562083 563928825 /nfs/dbraw/zinc/92/88/25/563928825.db2.gz RIXVNKFEBJDSBU-FQEVSTJZSA-N 0 0 311.388 4.984 50 0 DJAARN CC(C)(C)C(=O)Nc1ccccc1C(=O)c1cccc(Cl)c1 ZINC000013367322 563929539 /nfs/dbraw/zinc/92/95/39/563929539.db2.gz WSPNNHZVLDNHQV-UHFFFAOYSA-N 0 0 315.800 4.556 50 0 DJAARN CN(C(=O)Cc1cccc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000095348869 563931111 /nfs/dbraw/zinc/93/11/11/563931111.db2.gz QQICDODIQNCQCG-OAQYLSRUSA-N 0 0 315.416 4.528 50 0 DJAARN CN(C(=O)Cc1cccc2ccccc21)[C@H]1CCc2ccccc21 ZINC000095348870 563931197 /nfs/dbraw/zinc/93/11/97/563931197.db2.gz QQICDODIQNCQCG-NRFANRHFSA-N 0 0 315.416 4.528 50 0 DJAARN C[C@H](c1ccc(C(F)(F)F)cc1)[S@@](=O)C1CCCCC1 ZINC000095962102 563932468 /nfs/dbraw/zinc/93/24/68/563932468.db2.gz MGMLANBTRXTILC-GIPWTMENSA-N 0 0 304.377 4.848 50 0 DJAARN C[C@H](c1ccc(C(F)(F)F)cc1)[S@](=O)C1CCCCC1 ZINC000095962104 563932595 /nfs/dbraw/zinc/93/25/95/563932595.db2.gz MGMLANBTRXTILC-BIBXISHDSA-N 0 0 304.377 4.848 50 0 DJAARN Cc1nnc(CS[C@@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000095965655 563932748 /nfs/dbraw/zinc/93/27/48/563932748.db2.gz AWUFDOGFWALVBT-KRWDZBQOSA-N 0 0 314.385 4.540 50 0 DJAARN CCOCc1ccccc1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000095967204 563932964 /nfs/dbraw/zinc/93/29/64/563932964.db2.gz OKEXFKJKJNQTLP-GOSISDBHSA-N 0 0 313.441 4.619 50 0 DJAARN C[C@@H](Nc1ncnc2ncccc21)c1ccc(Cl)c(Cl)c1 ZINC000095973291 563933642 /nfs/dbraw/zinc/93/36/42/563933642.db2.gz TZIHNYPXWDYJCK-SECBINFHSA-N 0 0 319.195 4.505 50 0 DJAARN Cc1cccc(F)c1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000095988986 563934151 /nfs/dbraw/zinc/93/41/51/563934151.db2.gz KIIODTDYPSHRBB-SNVBAGLBSA-N 0 0 303.402 4.573 50 0 DJAARN c1cc2cccc(-c3nc([C@H]4CCCc5ccccc54)no3)c2[nH]1 ZINC000096009106 563934951 /nfs/dbraw/zinc/93/49/51/563934951.db2.gz FUPBUJYLYPWEGQ-INIZCTEOSA-N 0 0 315.376 4.686 50 0 DJAARN COc1ccc(/C=C\c2nc3cc(Cl)ccc3s2)cc1O ZINC000096399841 563936471 /nfs/dbraw/zinc/93/64/71/563936471.db2.gz PMFSWGSNHJWQEX-CLTKARDFSA-N 0 0 317.797 4.834 50 0 DJAARN Cc1ccc(C)c([C@H](C)NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000096437964 563936986 /nfs/dbraw/zinc/93/69/86/563936986.db2.gz MDVNXEVCRSIUCV-QIENPNARSA-N 0 0 313.828 4.847 50 0 DJAARN CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 ZINC000002503294 563938208 /nfs/dbraw/zinc/93/82/08/563938208.db2.gz NKUWLNDOSNBZEV-UHFFFAOYSA-N 0 0 321.461 4.838 50 0 DJAARN Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)o1 ZINC000002631598 563939776 /nfs/dbraw/zinc/93/97/76/563939776.db2.gz AQXVETHVDBTGHO-LJQANCHMSA-N 0 0 318.376 4.668 50 0 DJAARN Cc1ccc(C)c(NC(=S)Nc2ccccc2OC(F)F)c1 ZINC000002638194 563939919 /nfs/dbraw/zinc/93/99/19/563939919.db2.gz QAMAKDXUCYSCGN-UHFFFAOYSA-N 0 0 322.380 4.714 50 0 DJAARN Cc1ccsc1C(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000002639553 563939957 /nfs/dbraw/zinc/93/99/57/563939957.db2.gz OUPGWUMFBLHNTQ-UHFFFAOYSA-N 0 0 321.445 4.918 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 ZINC000002653105 563940049 /nfs/dbraw/zinc/94/00/49/563940049.db2.gz LXZVWGWKSIWBJU-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN Cn1nc(C2CC2)c2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000002741109 563940540 /nfs/dbraw/zinc/94/05/40/563940540.db2.gz QQGRCIZQLPYIRV-UHFFFAOYSA-N 0 0 317.314 4.532 50 0 DJAARN Cc1cc(C(F)(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000002741161 563940588 /nfs/dbraw/zinc/94/05/88/563940588.db2.gz QFOMLUPWVLCZOP-UHFFFAOYSA-N 0 0 317.314 4.625 50 0 DJAARN O=c1oc2c(s1)c(-c1ccccc1)c(O)cc2-c1ccccc1 ZINC000002785728 563940745 /nfs/dbraw/zinc/94/07/45/563940745.db2.gz QKVXMISXLDGGDN-UHFFFAOYSA-N 0 0 320.369 4.894 50 0 DJAARN CCc1ccc(NC(=O)NCCCSC2CCCCC2)cc1 ZINC000002933356 563941107 /nfs/dbraw/zinc/94/11/07/563941107.db2.gz UADHQLAWASIJOI-UHFFFAOYSA-N 0 0 320.502 4.827 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)c1cnc(Cl)c2ccccc12 ZINC000003041685 563941781 /nfs/dbraw/zinc/94/17/81/563941781.db2.gz HUUYZWYKFGEZDU-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000030116355 563942232 /nfs/dbraw/zinc/94/22/32/563942232.db2.gz DFHJTSRYTNNAAM-ZDUSSCGKSA-N 0 0 321.342 4.813 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 ZINC000003205467 563942866 /nfs/dbraw/zinc/94/28/66/563942866.db2.gz SHZUETAVBWGNGU-UHFFFAOYSA-N 0 0 306.601 4.961 50 0 DJAARN S=C(Nc1cccc(Cl)c1)Nc1cccc2cnccc21 ZINC000003244392 563943157 /nfs/dbraw/zinc/94/31/57/563943157.db2.gz YTZHGDVARPYGBP-UHFFFAOYSA-N 0 0 313.813 4.697 50 0 DJAARN Cc1nc2cc(COC(=O)c3ccccc3Cl)ccc2s1 ZINC000003236689 563943184 /nfs/dbraw/zinc/94/31/84/563943184.db2.gz AWRJQQRBQIUSJJ-UHFFFAOYSA-N 0 0 317.797 4.615 50 0 DJAARN Fc1cc(NC(=S)NC2CCCCCCC2)ccc1Cl ZINC000003255646 563943279 /nfs/dbraw/zinc/94/32/79/563943279.db2.gz ZBMONMYSPFAJND-UHFFFAOYSA-N 0 0 314.857 4.878 50 0 DJAARN O=C(Oc1cccc(F)c1)C1c2ccccc2Oc2ccccc21 ZINC000003253575 563943385 /nfs/dbraw/zinc/94/33/85/563943385.db2.gz NZDLSCGDQVOVMB-UHFFFAOYSA-N 0 0 320.319 4.669 50 0 DJAARN C[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003366021 563943745 /nfs/dbraw/zinc/94/37/45/563943745.db2.gz FNWITGMJMRPZSR-ZDUSSCGKSA-N 0 0 321.342 4.515 50 0 DJAARN O=C(CCc1cccs1)N[C@H](c1cccs1)C1CCCC1 ZINC000031804860 563944771 /nfs/dbraw/zinc/94/47/71/563944771.db2.gz MYTKMYMMPQCBFZ-KRWDZBQOSA-N 0 0 319.495 4.790 50 0 DJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccccc1 ZINC000003999126 563944828 /nfs/dbraw/zinc/94/48/28/563944828.db2.gz XZGQPXNWENIERN-ZISLFAKRSA-N 0 0 318.420 4.554 50 0 biogenic DJAARN Cc1nc(-c2ccccc2)sc1C(=O)NC1CCCCCC1 ZINC000007995889 563946069 /nfs/dbraw/zinc/94/60/69/563946069.db2.gz VGHBODIEXUVUPU-UHFFFAOYSA-N 0 0 314.454 4.571 50 0 DJAARN Cc1ccc2nc(N(Cc3ccccc3)C(=O)C3CC3)sc2c1 ZINC000008071721 563946395 /nfs/dbraw/zinc/94/63/95/563946395.db2.gz LHNPOSCBQLXWKR-UHFFFAOYSA-N 0 0 322.433 4.548 50 0 DJAARN CCOCc1c2ccccc2oc1C(=O)Nc1c(C)cccc1C ZINC000008313915 563947673 /nfs/dbraw/zinc/94/76/73/563947673.db2.gz WUEQRKDYUHPYBQ-UHFFFAOYSA-N 0 0 323.392 4.838 50 0 DJAARN C[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000008316028 563947904 /nfs/dbraw/zinc/94/79/04/563947904.db2.gz ZSTJBEIBOWVURC-GFCCVEGCSA-N 0 0 322.235 4.803 50 0 DJAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@H]2CCCC[C@H]21 ZINC000008367961 563948020 /nfs/dbraw/zinc/94/80/20/563948020.db2.gz YWZWRAVQCKEZSH-IUODEOHRSA-N 0 0 317.429 4.835 50 0 DJAARN Cc1ccc2nc(N(Cc3ccccc3)C(=O)C(C)C)sc2c1 ZINC000008342310 563948115 /nfs/dbraw/zinc/94/81/15/563948115.db2.gz WHMGVVVTHPIKCV-UHFFFAOYSA-N 0 0 324.449 4.794 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1Cl ZINC000008389373 563948197 /nfs/dbraw/zinc/94/81/97/563948197.db2.gz TYZAOFPAHIZVGW-XJKSGUPXSA-N 0 0 306.837 4.835 50 0 DJAARN CC[C@H](C)NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000008393833 563948429 /nfs/dbraw/zinc/94/84/29/563948429.db2.gz IGXPFXRWDDXXDT-AWEZNQCLSA-N 0 0 323.392 4.540 50 0 DJAARN O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(F)cc1 ZINC000008394157 563948466 /nfs/dbraw/zinc/94/84/66/563948466.db2.gz RWCWQEMIICIYAT-UHFFFAOYSA-N 0 0 310.372 4.558 50 0 DJAARN CN(Cc1nc2ccccc2o1)Cc1ccc(Cl)cc1Cl ZINC000008533864 563948983 /nfs/dbraw/zinc/94/89/83/563948983.db2.gz HMFWXFAFXQNHAV-UHFFFAOYSA-N 0 0 321.207 4.767 50 0 DJAARN CC[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@@]21C ZINC000008552584 563949016 /nfs/dbraw/zinc/94/90/16/563949016.db2.gz NVYBDSYHTNOJSQ-ZPAWYTMASA-N 0 0 314.469 4.692 50 0 biogenic DJAARN CCOc1ccccc1Oc1nc(C)nc2c3ccccc3oc21 ZINC000008607947 563949441 /nfs/dbraw/zinc/94/94/41/563949441.db2.gz UVXWXLKXIYWKRS-UHFFFAOYSA-N 0 0 320.348 4.875 50 0 DJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)s1 ZINC000008704721 563949706 /nfs/dbraw/zinc/94/97/06/563949706.db2.gz ANLOKPWACZIYNF-UHFFFAOYSA-N 0 0 320.826 4.777 50 0 DJAARN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000008721342 563950108 /nfs/dbraw/zinc/95/01/08/563950108.db2.gz UQGHXZJSNFSIDC-UHFFFAOYSA-N 0 0 320.795 4.578 50 0 DJAARN Fc1ccc(-c2ccc(-c3nnc4n3CCCCC4)s2)cc1 ZINC000008877964 563951124 /nfs/dbraw/zinc/95/11/24/563951124.db2.gz CONWQMGSVLGSMJ-UHFFFAOYSA-N 0 0 313.401 4.539 50 0 DJAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2Cl)c(C)n1C(C)C ZINC000069118710 563951665 /nfs/dbraw/zinc/95/16/65/563951665.db2.gz SKNIOUKXKZDQIT-CYBMUJFWSA-N 0 0 318.848 4.830 50 0 DJAARN CC[C@@H](C)N1Cc2ccccc2N(CC)[C@H]1c1ccccc1F ZINC000245261349 563952359 /nfs/dbraw/zinc/95/23/59/563952359.db2.gz RODLRMNVEAZBRE-FOIQADDNSA-N 0 0 312.432 4.965 50 0 DJAARN COc1ccc(C)cc1N[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000009119108 563952590 /nfs/dbraw/zinc/95/25/90/563952590.db2.gz QUDQLNWNOVLCOC-CQSZACIVSA-N 0 0 323.396 4.535 50 0 DJAARN Cc1nc(-c2ccc(Nc3ncnc4sccc43)cc2)cs1 ZINC000009220526 563954105 /nfs/dbraw/zinc/95/41/05/563954105.db2.gz ZJAVFELENOHUSX-UHFFFAOYSA-N 0 0 324.434 4.867 50 0 DJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CC=CCC1 ZINC000009217784 563954115 /nfs/dbraw/zinc/95/41/15/563954115.db2.gz AVTMTNYAXUTDRY-AWEZNQCLSA-N 0 0 315.800 4.573 50 0 DJAARN CCn1c2ccccc2nc1NCc1ccc(C(F)(F)F)cc1 ZINC000009261972 563954616 /nfs/dbraw/zinc/95/46/16/563954616.db2.gz LIZFQHNRUTVLGK-UHFFFAOYSA-N 0 0 319.330 4.687 50 0 DJAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 ZINC000009339290 563955189 /nfs/dbraw/zinc/95/51/89/563955189.db2.gz JTQMVSIPZVHNSC-IFXJQAMLSA-N 0 0 318.376 4.607 50 0 DJAARN O=C(CCc1ccc(-c2ccccc2)o1)NCCC1=CCCCC1 ZINC000009388775 563955867 /nfs/dbraw/zinc/95/58/67/563955867.db2.gz GDVUOSRKETZKJD-UHFFFAOYSA-N 0 0 323.436 4.886 50 0 DJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1c(F)cccc1F ZINC000009458847 563956138 /nfs/dbraw/zinc/95/61/38/563956138.db2.gz GNHYNPPKNCKHRY-UHFFFAOYSA-N 0 0 323.770 4.995 50 0 DJAARN CCCC[C@H](CC)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000009483458 563956202 /nfs/dbraw/zinc/95/62/02/563956202.db2.gz QCZXEQBCARYDDV-LBPRGKRZSA-N 0 0 306.837 4.768 50 0 DJAARN CCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000009610030 563957157 /nfs/dbraw/zinc/95/71/57/563957157.db2.gz APGBNJRRZGHXOB-UHFFFAOYSA-N 0 0 302.805 4.784 50 0 DJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C(C)(C)C ZINC000009669303 563957385 /nfs/dbraw/zinc/95/73/85/563957385.db2.gz RCRGHUHQMMGVDO-LJQANCHMSA-N 0 0 318.420 4.820 50 0 DJAARN O=C(N[C@@H](c1ccccc1)C1CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000009935703 563957910 /nfs/dbraw/zinc/95/79/10/563957910.db2.gz VBGRCWXHDKORHB-PMACEKPBSA-N 0 0 320.436 4.588 50 0 DJAARN c1ccc(Oc2ccc(Oc3nc4ccccc4o3)cc2)nc1 ZINC000071810546 563958805 /nfs/dbraw/zinc/95/88/05/563958805.db2.gz YODKLQQCRMLZNQ-UHFFFAOYSA-N 0 0 304.305 4.807 50 0 DJAARN CCCOc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 ZINC000012411341 568412735 /nfs/dbraw/zinc/41/27/35/568412735.db2.gz YBANGHRLNKZSGE-UHFFFAOYSA-N 0 0 317.816 4.814 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CC[C@@H]1CCc2sc(C(=O)NC3CCCCCC3)cc2C1 ZINC000003330051 181006655 /nfs/dbraw/zinc/00/66/55/181006655.db2.gz CARBUQKFRFDEFK-CYBMUJFWSA-N 0 0 305.487 4.716 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)o1 ZINC000003332796 181007029 /nfs/dbraw/zinc/00/70/29/181007029.db2.gz JWYXXAPWLVYKJO-UHFFFAOYSA-N 0 0 324.361 4.710 50 0 DJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000003334591 181007549 /nfs/dbraw/zinc/00/75/49/181007549.db2.gz MNACTHPRRODADC-MRXNPFEDSA-N 0 0 319.326 4.513 50 0 DJAARN CCc1sc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1C ZINC000003350037 181009796 /nfs/dbraw/zinc/00/97/96/181009796.db2.gz NNKJOJUVHYNVHA-UHFFFAOYSA-N 0 0 323.845 4.842 50 0 DJAARN CC(C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003347030 181010126 /nfs/dbraw/zinc/01/01/26/181010126.db2.gz LXJKOJOHPMCOFQ-UHFFFAOYSA-N 0 0 307.315 4.511 50 0 DJAARN Cc1cccc(NC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000003359257 181011030 /nfs/dbraw/zinc/01/10/30/181011030.db2.gz PFMBOATXGVERQE-UHFFFAOYSA-N 0 0 310.441 4.956 50 0 DJAARN CCN(C(=O)c1cc(C)ccc1C)c1nc2c(cccc2C)s1 ZINC000003407399 181015566 /nfs/dbraw/zinc/01/55/66/181015566.db2.gz RVVNGNPMDUSIKJ-UHFFFAOYSA-N 0 0 324.449 4.888 50 0 DJAARN Cc1ccc(NCC(=O)Nc2cccc(Cl)c2C)c(Cl)c1 ZINC000003405969 181015968 /nfs/dbraw/zinc/01/59/68/181015968.db2.gz UJOVZFCHYLDYQP-UHFFFAOYSA-N 0 0 323.223 4.661 50 0 DJAARN COc1ccc(C)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000003411238 181016669 /nfs/dbraw/zinc/01/66/69/181016669.db2.gz RCVPVGINJIAYKV-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN COc1ccccc1-c1csc(N[C@@H](C)c2ccccc2)n1 ZINC000003417172 181016777 /nfs/dbraw/zinc/01/67/77/181016777.db2.gz XCPUNGSBKOGZME-ZDUSSCGKSA-N 0 0 310.422 4.992 50 0 DJAARN COc1cc(SC)ccc1C(=O)Nc1cccc2ccccc21 ZINC000003417871 181016969 /nfs/dbraw/zinc/01/69/69/181016969.db2.gz QMBVIQDHUKWVND-UHFFFAOYSA-N 0 0 323.417 4.823 50 0 DJAARN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2c1C ZINC000003421153 181017405 /nfs/dbraw/zinc/01/74/05/181017405.db2.gz APZSWYRGUDRXHH-LJQANCHMSA-N 0 0 318.420 4.592 50 0 DJAARN Cc1ccc(C)c(C(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000003432220 181018917 /nfs/dbraw/zinc/01/89/17/181018917.db2.gz ZNAPCWWIDPMHMZ-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN CSCc1ccc(C(=O)Nc2ccccc2SC)cc1 ZINC000003439902 181019678 /nfs/dbraw/zinc/01/96/78/181019678.db2.gz CGCREJRXRAKKGI-UHFFFAOYSA-N 0 0 303.452 4.524 50 0 DJAARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)N(C)C ZINC000003446331 181021079 /nfs/dbraw/zinc/02/10/79/181021079.db2.gz NUJCXNULIYWZQV-UHFFFAOYSA-N 0 0 324.811 4.565 50 0 DJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2ccccc2Cl)c1 ZINC000003447839 181021463 /nfs/dbraw/zinc/02/14/63/181021463.db2.gz UIVRDTQTZSXHLZ-GFCCVEGCSA-N 0 0 305.830 4.768 50 0 DJAARN Cc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1C ZINC000003482191 181025106 /nfs/dbraw/zinc/02/51/06/181025106.db2.gz UPVVNADIWMVHGU-UHFFFAOYSA-N 0 0 307.315 4.503 50 0 DJAARN Cc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C ZINC000003482179 181025318 /nfs/dbraw/zinc/02/53/18/181025318.db2.gz INUYJWSCRYNYGY-UHFFFAOYSA-N 0 0 317.816 4.753 50 0 DJAARN CCc1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000003518871 181029204 /nfs/dbraw/zinc/02/92/04/181029204.db2.gz OXINJOUQKOTWNJ-UHFFFAOYSA-N 0 0 308.208 4.737 50 0 DJAARN CCc1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C ZINC000003518879 181029273 /nfs/dbraw/zinc/02/92/73/181029273.db2.gz GLGLLFHGTCULLY-UHFFFAOYSA-N 0 0 309.365 4.565 50 0 DJAARN O=C(NCC1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000003549785 181032790 /nfs/dbraw/zinc/03/27/90/181032790.db2.gz QQPSINAPFZEHHF-UHFFFAOYSA-N 0 0 307.437 4.515 50 0 DJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccccc1 ZINC000003547689 181033089 /nfs/dbraw/zinc/03/30/89/181033089.db2.gz XWXQDLAMSAJVOP-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN O=C(CCSc1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000003549229 181033103 /nfs/dbraw/zinc/03/31/03/181033103.db2.gz REIPHQMDQMSSKR-UHFFFAOYSA-N 0 0 309.793 4.600 50 0 DJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccco1 ZINC000003560621 181034708 /nfs/dbraw/zinc/03/47/08/181034708.db2.gz QTGDKRFGXZSPGL-UHFFFAOYSA-N 0 0 324.405 4.534 50 0 DJAARN Cc1ccc([C@@H]2CCN(C(=S)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000003588531 181037776 /nfs/dbraw/zinc/03/77/76/181037776.db2.gz KBECBARQWSQSQW-GOSISDBHSA-N 0 0 324.493 4.798 50 0 DJAARN Cc1ccc([C@@H]2CCN(C(=S)Nc3c(C)cccc3C)C2)cc1 ZINC000003588640 181037858 /nfs/dbraw/zinc/03/78/58/181037858.db2.gz YHIOMAJDVMPDBQ-GOSISDBHSA-N 0 0 324.493 4.798 50 0 DJAARN CCCC(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655326 181044372 /nfs/dbraw/zinc/04/43/72/181044372.db2.gz VXMHBQFRZZXQRR-UHFFFAOYSA-N 0 0 321.376 4.711 50 0 DJAARN CCOC(=O)CCCCCCCCCCCCC(=O)OCC ZINC000003861113 181049765 /nfs/dbraw/zinc/04/97/65/181049765.db2.gz XXYWYFSQJPFXBD-UHFFFAOYSA-N 0 0 314.466 4.794 50 0 DJAARN O=C1CS[C@H](c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000003872011 181051162 /nfs/dbraw/zinc/05/11/62/181051162.db2.gz KQEPIRKXSUIUTH-OAHLLOKOSA-N 0 0 324.232 4.768 50 0 in-vitro DJAARN COc1ccc2c(c1)sc1nc(-c3ccccc3Cl)cn21 ZINC000003877662 181051454 /nfs/dbraw/zinc/05/14/54/181051454.db2.gz HABUTJAZJPACAS-UHFFFAOYSA-N 0 0 314.797 4.878 50 0 DJAARN CCCc1cc(C(=O)Cc2cc3ccccc3o2)c(O)cc1OC ZINC000004025596 181063749 /nfs/dbraw/zinc/06/37/49/181063749.db2.gz UGHBUKHKCXKERG-UHFFFAOYSA-N 0 0 324.376 4.525 50 0 biogenic DJAARN COC(=O)c1ccc(CSc2c(Cl)cccc2Cl)o1 ZINC000003913621 181057959 /nfs/dbraw/zinc/05/79/59/181057959.db2.gz FHPKJKXNKGTYIL-UHFFFAOYSA-N 0 0 317.193 4.665 50 0 DJAARN COc1ccccc1N[C@H](C)CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C ZINC000003999257 181060607 /nfs/dbraw/zinc/06/06/07/181060607.db2.gz NWPFUGLRWBMGIL-KHYOSLBOSA-N 0 0 315.457 4.693 50 0 biogenic DJAARN COc1ccc(/C=C/c2nccc3c4ccccc4[nH]c32)cc1 ZINC000004000155 181060858 /nfs/dbraw/zinc/06/08/58/181060858.db2.gz CIPNKLJOLITVMZ-DHZHZOJOSA-N 0 0 300.361 4.895 50 0 biogenic DJAARN Cc1ccccc1CSc1ncnc2c3ccccc3oc21 ZINC000004106816 181074133 /nfs/dbraw/zinc/07/41/33/181074133.db2.gz PTASACXDZZEGEK-UHFFFAOYSA-N 0 0 306.390 4.977 50 0 DJAARN CCCCCOc1ccc2c(C)c(CC(C)C)c(=O)oc2c1 ZINC000004109576 181074677 /nfs/dbraw/zinc/07/46/77/181074677.db2.gz UEHORFVVQGOUBO-UHFFFAOYSA-N 0 0 302.414 4.869 50 0 DJAARN COc1ccc(Cl)cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000004123970 181076807 /nfs/dbraw/zinc/07/68/07/181076807.db2.gz OGXGWRAUJVUGMZ-RMKNXTFCSA-N 0 0 311.768 4.773 50 0 DJAARN O[C@@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000004128122 181076850 /nfs/dbraw/zinc/07/68/50/181076850.db2.gz OQGDSOGFYFYBTD-FQEVSTJZSA-N 0 0 304.414 4.577 50 0 DJAARN CCOc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1OC ZINC000004140898 181078773 /nfs/dbraw/zinc/07/87/73/181078773.db2.gz VSWUZIHUMLWLJX-JXMROGBWSA-N 0 0 321.376 4.518 50 0 DJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1F ZINC000004162969 181080088 /nfs/dbraw/zinc/08/00/88/181080088.db2.gz IDEIOWXDGJQPEK-UHFFFAOYSA-N 0 0 321.779 4.585 50 0 DJAARN CC(C)ONC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004181498 181082790 /nfs/dbraw/zinc/08/27/90/181082790.db2.gz XCKFLZWSBLTZEO-UHFFFAOYSA-N 0 0 317.432 4.908 50 0 DJAARN CCCCCCOc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004185400 181082978 /nfs/dbraw/zinc/08/29/78/181082978.db2.gz GDAQWAAPKYPCOU-IAGOWNOFSA-N 0 0 317.473 4.764 50 0 DJAARN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000004204954 181084864 /nfs/dbraw/zinc/08/48/64/181084864.db2.gz PGZCJOPTDHWYES-CEWLAPEOSA-N 0 0 314.469 4.993 50 0 DJAARN Clc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000004289819 181093200 /nfs/dbraw/zinc/09/32/00/181093200.db2.gz ITRUISASNFIDJE-UHFFFAOYSA-N 0 0 305.164 4.634 50 0 DJAARN c1coc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)c1 ZINC000004281937 181093215 /nfs/dbraw/zinc/09/32/15/181093215.db2.gz ZIGDARZYOMZRNK-PXNSSMCTSA-N 0 0 316.360 4.522 50 0 DJAARN CCCCc1ccc(-n2c(=O)occ2-c2ccc(F)cc2)cc1 ZINC000004324761 181098106 /nfs/dbraw/zinc/09/81/06/181098106.db2.gz JZZWIIPAIPCTQE-UHFFFAOYSA-N 0 0 311.356 4.579 50 0 DJAARN Cc1ccc(C)c2sc(NC(=O)c3ccccc3Cl)nc21 ZINC000004330791 181098482 /nfs/dbraw/zinc/09/84/82/181098482.db2.gz IOJRLQXCOFWZJZ-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Cc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000004330751 181098678 /nfs/dbraw/zinc/09/86/78/181098678.db2.gz JRQPYYVUIWFCCH-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Cc1cc(Cl)cc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000004330839 181098687 /nfs/dbraw/zinc/09/86/87/181098687.db2.gz CEVXNQMVQUDETR-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN Cc1ccc(C2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1 ZINC000004342445 181100612 /nfs/dbraw/zinc/10/06/12/181100612.db2.gz IGUVEAWTILYVLT-UHFFFAOYSA-N 0 0 314.384 4.766 50 0 DJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](C)c1ccccc1 ZINC000004350081 181101269 /nfs/dbraw/zinc/10/12/69/181101269.db2.gz FNGQUIHMXNCTMN-XYVMCAHJSA-N 0 0 303.446 4.935 50 0 DJAARN Clc1cccc(CSc2ccc(-c3ccco3)nn2)c1 ZINC000004357966 181101601 /nfs/dbraw/zinc/10/16/01/181101601.db2.gz HBAAFXOFVZQBAJ-UHFFFAOYSA-N 0 0 302.786 4.682 50 0 DJAARN CC(C)c1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C)cc1 ZINC000004389068 181105609 /nfs/dbraw/zinc/10/56/09/181105609.db2.gz AMUNDWYSBUXTHK-CTNGQTDRSA-N 0 0 304.437 4.763 50 0 DJAARN CC(C)(C)c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000004539501 181122023 /nfs/dbraw/zinc/12/20/23/181122023.db2.gz PLLQBWZQVRMOGB-UHFFFAOYSA-N 0 0 308.381 4.613 50 0 DJAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(F)cc1 ZINC000004538908 181122067 /nfs/dbraw/zinc/12/20/67/181122067.db2.gz CFQVFKPJQMBCFB-UHFFFAOYSA-N 0 0 305.308 4.977 50 0 DJAARN CC(C)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(C)C ZINC000004506234 181116994 /nfs/dbraw/zinc/11/69/94/181116994.db2.gz OZJSRLQDDWTFAY-UHFFFAOYSA-N 0 0 324.424 4.511 50 0 DJAARN CSc1cccc(C(=O)Nc2ccc3sc(C)nc3c2)c1 ZINC000004517485 181118754 /nfs/dbraw/zinc/11/87/54/181118754.db2.gz LUICGOHWUKSLCB-UHFFFAOYSA-N 0 0 314.435 4.579 50 0 DJAARN CC(C)(C)OC(=O)c1ccc2ccccc2c1Br ZINC000004557338 181124367 /nfs/dbraw/zinc/12/43/67/181124367.db2.gz FILHKCLQWYINJU-UHFFFAOYSA-N 0 0 307.187 4.558 50 0 DJAARN Cc1ccc2c(c1)S[C@H](CC(=O)c1ccc(F)cc1)S2 ZINC000004568158 181125545 /nfs/dbraw/zinc/12/55/45/181125545.db2.gz RNDWIZAYDSBPBU-MRXNPFEDSA-N 0 0 304.411 4.931 50 0 DJAARN CCSc1ccccc1C(=O)Nc1nc2ccccc2s1 ZINC000004585695 181127201 /nfs/dbraw/zinc/12/72/01/181127201.db2.gz YUFZPSYDCQHKRA-UHFFFAOYSA-N 0 0 314.435 4.661 50 0 DJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 ZINC000004545376 181123333 /nfs/dbraw/zinc/12/33/33/181123333.db2.gz BXQVYOKAFFIKKJ-BDJLRTHQSA-N 0 0 312.438 4.692 50 0 DJAARN C[C@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 ZINC000004656302 181132814 /nfs/dbraw/zinc/13/28/14/181132814.db2.gz ATJNZKZWGUGVLH-GOSISDBHSA-N 0 0 321.464 4.636 50 0 DJAARN CCCC[C@@H](CC)C(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000004659251 181133723 /nfs/dbraw/zinc/13/37/23/181133723.db2.gz YPRLVUMHIXBECN-GFCCVEGCSA-N 0 0 320.458 4.850 50 0 DJAARN S=C(Nc1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000004653356 181132008 /nfs/dbraw/zinc/13/20/08/181132008.db2.gz QDWKKMPTZMLZQZ-UHFFFAOYSA-N 0 0 320.889 4.595 50 0 DJAARN Cc1cccc2sc(NC(=O)C[C@@H](C)c3ccccc3)nc21 ZINC000004696353 181138350 /nfs/dbraw/zinc/13/83/50/181138350.db2.gz PROXNNGAFLJTPV-CYBMUJFWSA-N 0 0 310.422 4.737 50 0 DJAARN CC[C@H]1CCCCN1C(=O)c1sc2ccccc2c1Cl ZINC000004696237 181138579 /nfs/dbraw/zinc/13/85/79/181138579.db2.gz RGRSEHFDGYTDJH-NSHDSACASA-N 0 0 307.846 4.959 50 0 DJAARN CCCCCC[C@H](C)NC(=O)c1ccc(NC(=O)CCC)cc1 ZINC000004696279 181138640 /nfs/dbraw/zinc/13/86/40/181138640.db2.gz RMPPSXWCWVNNHZ-HNNXBMFYSA-N 0 0 318.461 4.514 50 0 DJAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1F ZINC000004701847 181139102 /nfs/dbraw/zinc/13/91/02/181139102.db2.gz ZJUJDZWEJRARQV-UHFFFAOYSA-N 0 0 309.793 4.600 50 0 DJAARN COc1cccc(OCCOc2cc(C)ccc2C(C)C)c1 ZINC000004702070 181139231 /nfs/dbraw/zinc/13/92/31/181139231.db2.gz KGUTYXQHWIUFLQ-UHFFFAOYSA-N 0 0 300.398 4.585 50 0 DJAARN CC[C@H](C)c1ccc(OCCSc2nnc(C)s2)cc1 ZINC000004702169 181139544 /nfs/dbraw/zinc/13/95/44/181139544.db2.gz HVGAGLOSERDBJQ-NSHDSACASA-N 0 0 308.472 4.531 50 0 DJAARN CCOc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004680941 181136306 /nfs/dbraw/zinc/13/63/06/181136306.db2.gz PQTHABITRSVALM-UHFFFAOYSA-N 0 0 313.441 4.630 50 0 DJAARN CC[C@H](C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccccc1 ZINC000004691558 181137523 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CCCCOc1ccc(C(=O)c2cncc3ccccc32)cc1 ZINC000045028906 183476394 /nfs/dbraw/zinc/47/63/94/183476394.db2.gz IEVTYELOIKVFGA-UHFFFAOYSA-N 0 0 305.377 4.645 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000046018443 183543113 /nfs/dbraw/zinc/54/31/13/183543113.db2.gz GPZZXEFPECQMBJ-LJQANCHMSA-N 0 0 308.425 4.926 50 0 DJAARN S=C(Nc1ccc2c(c1)CCC2)Nc1cccc2cccnc21 ZINC000053516170 183905338 /nfs/dbraw/zinc/90/53/38/183905338.db2.gz BYQFAEHFVMHDCG-UHFFFAOYSA-N 0 0 319.433 4.532 50 0 DJAARN O=C(CCCc1cccs1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000055540303 183990292 /nfs/dbraw/zinc/99/02/92/183990292.db2.gz IMRKTXSMQAJEQU-QGZVFWFLSA-N 0 0 317.429 4.574 50 0 DJAARN O=C(Nc1nc2c(cccc2F)s1)Nc1ccccc1Cl ZINC000056905998 184021182 /nfs/dbraw/zinc/02/11/82/184021182.db2.gz LVRCCTFWIWQSAN-UHFFFAOYSA-N 0 0 321.764 4.733 50 0 DJAARN CC(C)c1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000057416243 184037799 /nfs/dbraw/zinc/03/77/99/184037799.db2.gz WJSNCZFBBWKATF-UHFFFAOYSA-N 0 0 313.466 4.680 50 0 DJAARN Cc1nc(Cl)cc(Oc2ccc(C3SCCS3)cc2)n1 ZINC000058179126 184085249 /nfs/dbraw/zinc/08/52/49/184085249.db2.gz KIBUMGZVCYXFDE-UHFFFAOYSA-N 0 0 324.858 4.709 50 0 DJAARN Cc1ccccc1C[S@@](=O)Cc1ccc(Cl)cc1Cl ZINC000058131042 184078969 /nfs/dbraw/zinc/07/89/69/184078969.db2.gz NJGWREBEKSADKP-IBGZPJMESA-N 0 0 313.249 4.751 50 0 DJAARN CCCN(C(=O)Nc1ccccc1F)[C@H]1CCc2ccccc21 ZINC000058355397 184107976 /nfs/dbraw/zinc/10/79/76/184107976.db2.gz AIGOYJCOOQREKJ-SFHVURJKSA-N 0 0 312.388 4.757 50 0 DJAARN O=C(N[C@@H]1CCc2ccccc21)c1sccc1-c1ccccc1 ZINC000058406770 184114360 /nfs/dbraw/zinc/11/43/60/184114360.db2.gz ALJWAZLVBLNUQV-GOSISDBHSA-N 0 0 319.429 4.832 50 0 DJAARN CCN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000060101139 184144259 /nfs/dbraw/zinc/14/42/59/184144259.db2.gz FBSVMXWIWPLPRJ-UHFFFAOYSA-N 0 0 311.278 4.511 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2ccccc2Cl)cc1 ZINC000064579839 184300797 /nfs/dbraw/zinc/30/07/97/184300797.db2.gz NEWHDXLUWMHUNV-GOSISDBHSA-N 0 0 313.828 4.555 50 0 DJAARN Cc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCC2)c1 ZINC000064438532 184297242 /nfs/dbraw/zinc/29/72/42/184297242.db2.gz DRSZFMHUQBTRBE-UHFFFAOYSA-N 0 0 319.408 4.639 50 0 DJAARN CC[C@@H](C)NC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472469 184297992 /nfs/dbraw/zinc/29/79/92/184297992.db2.gz XJRFNLBBLGJYJV-CQSZACIVSA-N 0 0 324.449 4.734 50 0 DJAARN Cc1cccc(-c2ccc(C(=O)Nc3cc(F)cc(F)c3)cn2)c1 ZINC000065030031 184308779 /nfs/dbraw/zinc/30/87/79/184308779.db2.gz BSQAHFQBDFHABV-UHFFFAOYSA-N 0 0 324.330 4.588 50 0 DJAARN COC(=O)c1cc(Nc2ccc(F)cc2C)c2cccc(C)c2n1 ZINC000065033673 184308871 /nfs/dbraw/zinc/30/88/71/184308871.db2.gz LOIMJLORAGTIMD-UHFFFAOYSA-N 0 0 324.355 4.521 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1C ZINC000065030066 184308922 /nfs/dbraw/zinc/30/89/22/184308922.db2.gz WNVSYLYDLJXLAQ-UHFFFAOYSA-N 0 0 320.367 4.757 50 0 DJAARN COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(C)ccc2n1 ZINC000065033563 184309049 /nfs/dbraw/zinc/30/90/49/184309049.db2.gz AFEDPKXRQXGAPI-UHFFFAOYSA-N 0 0 320.392 4.690 50 0 DJAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)CC)cc21 ZINC000065033799 184309179 /nfs/dbraw/zinc/30/91/79/184309179.db2.gz YCLAGKYMWMVKOA-UHFFFAOYSA-N 0 0 320.392 4.649 50 0 DJAARN CCC(=O)Nc1ccc2nc(-c3ccc(C)cc3)cc(OC)c2c1 ZINC000065033825 184309283 /nfs/dbraw/zinc/30/92/83/184309283.db2.gz CARPYRMHOKKWDQ-UHFFFAOYSA-N 0 0 320.392 4.567 50 0 DJAARN COc1ccc2oc(-c3noc(-c4ccc(C)cc4)n3)c(C)c2c1 ZINC000065097272 184310874 /nfs/dbraw/zinc/31/08/74/184310874.db2.gz TVBBRBSXOCRYDO-UHFFFAOYSA-N 0 0 320.348 4.775 50 0 DJAARN Fc1ccc(-c2nc(COc3ccc4ncccc4c3)co2)cc1 ZINC000065205859 184314600 /nfs/dbraw/zinc/31/46/00/184314600.db2.gz LKSKGHDYMKOJIR-UHFFFAOYSA-N 0 0 320.323 4.608 50 0 DJAARN CCCCOc1cc(Br)cc(OC(F)(F)F)c1 ZINC000065337290 184324996 /nfs/dbraw/zinc/32/49/96/184324996.db2.gz FXHJRXIZVGFAKX-UHFFFAOYSA-N 0 0 313.113 4.527 50 0 DJAARN FC(F)(F)Oc1cc(Br)c(Cl)cc1Cl ZINC000065337357 184325048 /nfs/dbraw/zinc/32/50/48/184325048.db2.gz KKUZNWGBIDSKRE-UHFFFAOYSA-N 0 0 309.896 4.655 50 0 DJAARN Cc1ccccc1-c1ncc(CN(C)[C@H](C)c2ccco2)s1 ZINC000065376411 184331386 /nfs/dbraw/zinc/33/13/86/184331386.db2.gz AXXGSEPBYHDMIP-CQSZACIVSA-N 0 0 312.438 4.905 50 0 DJAARN COCC1(Cn2cnc(-c3ccccc3)c2C2CCCC2)CC1 ZINC000065376157 184331424 /nfs/dbraw/zinc/33/14/24/184331424.db2.gz PBYQDJGGSCTXSW-UHFFFAOYSA-N 0 0 310.441 4.634 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]21CS1 ZINC000253499220 256616478 /nfs/dbraw/zinc/61/64/78/256616478.db2.gz DBMAUQKFWFYPTE-SXWOMNNJSA-N 0 0 318.526 4.796 50 0 biogenic DJAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@]5(CS5)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000253499429 256616597 /nfs/dbraw/zinc/61/65/97/256616597.db2.gz GXTQNPGSFWVXDC-UNZHJGKSSA-N 0 0 320.542 4.876 50 0 biogenic DJAARN O=C1c2ccccc2[C@@H]2CCCCC[C@@H]2N1Cc1ccccc1 ZINC000006529526 257137957 /nfs/dbraw/zinc/13/79/57/257137957.db2.gz MJVLNXRGMLNPEM-ICSRJNTNSA-N 0 0 305.421 4.759 50 0 DJAARN C(=C/C1=NN(c2ccccc2)[C@H](c2ccco2)C1)\c1ccco1 ZINC000000476951 257211357 /nfs/dbraw/zinc/21/13/57/257211357.db2.gz VLTZONYFQFOYOS-ZGKFYVQTSA-N 0 0 304.349 4.893 50 0 DJAARN CC(C)c1ccoc1C(=O)Nc1ncccc1-c1ccccc1 ZINC000408516269 257256050 /nfs/dbraw/zinc/25/60/50/257256050.db2.gz CBGJBYCIUSQSNH-UHFFFAOYSA-N 0 0 306.365 4.717 50 0 DJAARN CC(=O)CCCC(=O)Nc1ccccc1N[C@H](C)c1ccccc1 ZINC000408516153 257256490 /nfs/dbraw/zinc/25/64/90/257256490.db2.gz UOXFXWJPXCMSSE-MRXNPFEDSA-N 0 0 324.424 4.558 50 0 DJAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(C)(C)C)c1 ZINC000000466774 257266847 /nfs/dbraw/zinc/26/68/47/257266847.db2.gz BYPFTKNENFAXIM-UHFFFAOYSA-N 0 0 311.425 4.618 50 0 DJAARN Cc1[nH]nc(-c2ccccc2Cl)c1NC(=O)CC1CCCC1 ZINC000034796398 257269833 /nfs/dbraw/zinc/26/98/33/257269833.db2.gz NQIYEWHVRNHTSC-UHFFFAOYSA-N 0 0 317.820 4.557 50 0 DJAARN CCc1ccc(C(=O)c2cnc3ccc(F)cc3c2Cl)cc1 ZINC000071775252 184840593 /nfs/dbraw/zinc/84/05/93/184840593.db2.gz BPHKPVPERLIBBZ-UHFFFAOYSA-N 0 0 313.759 4.821 50 0 DJAARN O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000071803341 184846937 /nfs/dbraw/zinc/84/69/37/184846937.db2.gz WWZBESGPUOMPEG-SFHVURJKSA-N 0 0 323.371 4.676 50 0 DJAARN CC1(C)[C@H](C(=O)N2CCCc3ccccc32)[C@H]1C=C(Cl)Cl ZINC000000460836 134438440 /nfs/dbraw/zinc/43/84/40/134438440.db2.gz GULUYDGUGYJNOH-DOMZBBRYSA-N 0 0 324.251 4.557 50 0 DJAARN O=C(Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1 ZINC000000520426 134439658 /nfs/dbraw/zinc/43/96/58/134439658.db2.gz NHPGADRSDBMPHX-UHFFFAOYSA-N 0 0 314.816 4.583 50 0 DJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCCc2ccccc21 ZINC000000975629 134442371 /nfs/dbraw/zinc/44/23/71/134442371.db2.gz LHLZVAHISHDESS-UHFFFAOYSA-N 0 0 313.400 4.947 50 0 DJAARN CC1=CC(C)(C)NC(=S)N1c1cc(Cl)ccc1Cl ZINC000005138594 134469448 /nfs/dbraw/zinc/46/94/48/134469448.db2.gz LRIAPYAQRQUNHL-UHFFFAOYSA-N 0 0 301.242 4.782 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2cccc(C)c2)c2ccccc2S1 ZINC000006877027 134480803 /nfs/dbraw/zinc/48/08/03/134480803.db2.gz LLDJKIPKWNOPED-OAHLLOKOSA-N 0 0 312.438 4.918 50 0 DJAARN Cc1ccc(C)c(COc2ccc3c(C)c(C)c(=O)oc3c2)c1 ZINC000000012096 331458537 /nfs/dbraw/zinc/45/85/37/331458537.db2.gz ZSAGGGRUYLTEJH-UHFFFAOYSA-N 0 0 308.377 4.606 50 0 DJAARN COc1ccc(-c2c(C)c3cc(Cl)c(C)cc3oc2=O)cc1 ZINC000000058092 331458619 /nfs/dbraw/zinc/45/86/19/331458619.db2.gz AXZBIIYQFOVKOC-UHFFFAOYSA-N 0 0 314.768 4.739 50 0 DJAARN CCOc1cc(C(=O)Nc2c(C)cccc2C)ccc1Cl ZINC000000452402 331462550 /nfs/dbraw/zinc/46/25/50/331462550.db2.gz AAUIMMQYTQDYMU-UHFFFAOYSA-N 0 0 303.789 4.608 50 0 DJAARN Fc1ccccc1Cn1c2ccccc2nc1-c1ccccc1 ZINC000000617504 331464171 /nfs/dbraw/zinc/46/41/71/331464171.db2.gz QWKATXLQOOIZLB-UHFFFAOYSA-N 0 0 302.352 4.891 50 0 DJAARN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000001002133 331465122 /nfs/dbraw/zinc/46/51/22/331465122.db2.gz LCRRFFSOTKGTPN-CYBMUJFWSA-N 0 0 302.805 4.840 50 0 DJAARN CCC(=O)c1cccc(NC(=O)c2oc3cc(C)ccc3c2C)c1 ZINC000082087359 331989617 /nfs/dbraw/zinc/98/96/17/331989617.db2.gz XUJYFJSXYJEPRG-UHFFFAOYSA-N 0 0 321.376 4.895 50 0 DJAARN Cc1csc(CSCc2cc(F)cc3cccnc32)n1 ZINC000088306280 332049326 /nfs/dbraw/zinc/04/93/26/332049326.db2.gz CQFJEFYLMPMKHF-UHFFFAOYSA-N 0 0 304.415 4.572 50 0 DJAARN Cc1nc(CSCc2ccc(Br)s2)oc1C ZINC000097166050 332193709 /nfs/dbraw/zinc/19/37/09/332193709.db2.gz CAXHBGMBHSGFGK-UHFFFAOYSA-N 0 0 318.261 4.549 50 0 DJAARN CSc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984469 518175331 /nfs/dbraw/zinc/17/53/31/518175331.db2.gz IOQKFYZZMNQUBQ-QGZVFWFLSA-N 0 0 316.470 4.857 50 0 DJAARN Cc1oc(-c2cccs2)nc1Cn1cnc2cc(C)c(C)cc21 ZINC000037143054 518194384 /nfs/dbraw/zinc/19/43/84/518194384.db2.gz CQHLDCXCJULBJS-UHFFFAOYSA-N 0 0 323.421 4.726 50 0 DJAARN CC[C@@H](c1ccncc1)N(CC)C(=O)C[C@@H](C)c1ccccc1 ZINC000157552422 523124197 /nfs/dbraw/zinc/12/41/97/523124197.db2.gz MJAKZWUMQNINBQ-APWZRJJASA-N 0 0 310.441 4.575 50 0 DJAARN CC[C@@H]1CCCN1C(=O)Nc1ccc(/C=C/c2ccccn2)cc1 ZINC000299762073 529300605 /nfs/dbraw/zinc/30/06/05/529300605.db2.gz RDQLQYNWBUGQQS-UFUQCMIWSA-N 0 0 321.424 4.658 50 0 DJAARN Cc1nc(C2=C(N)N([C@H](C)CCCC(C)C)CC2=O)sc1C ZINC000102043832 563657792 /nfs/dbraw/zinc/65/77/92/563657792.db2.gz GHGWIQHHJVYNSY-LLVKDONJSA-N 0 0 321.490 4.537 50 0 DJAARN Cc1nc(COc2ccccc2SC(F)(F)F)cs1 ZINC000095974624 563723441 /nfs/dbraw/zinc/72/34/41/563723441.db2.gz NXQYUBARYIVIFW-UHFFFAOYSA-N 0 0 305.346 4.642 50 0 DJAARN Cc1cc(C)cc(C(=O)N(C)c2ccc(C(F)(F)F)cc2)c1 ZINC000001391284 563816511 /nfs/dbraw/zinc/81/65/11/563816511.db2.gz JPTFAECVCRAFCS-UHFFFAOYSA-N 0 0 307.315 4.599 50 0 DJAARN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000013744603 563909906 /nfs/dbraw/zinc/90/99/06/563909906.db2.gz UOMSVWHJNJZYBH-QMMMGPOBSA-N 0 0 315.225 4.938 50 0 DJAARN O=C(Nc1c(Cl)cccc1Cl)c1cc2ccccc2o1 ZINC000000301888 563237994 /nfs/dbraw/zinc/23/79/94/563237994.db2.gz VFELCTQQRPVVJO-UHFFFAOYSA-N 0 0 306.148 4.992 50 0 DJAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000000380002 563247744 /nfs/dbraw/zinc/24/77/44/563247744.db2.gz FGQVBHPCVRRSIZ-GFCCVEGCSA-N 0 0 305.830 4.600 50 0 DJAARN CC(C)COc1ccc(NC(=O)Cc2cccs2)cc1Cl ZINC000030512782 563436980 /nfs/dbraw/zinc/43/69/80/563436980.db2.gz MVIDIAGNSTXHQF-UHFFFAOYSA-N 0 0 323.845 4.618 50 0 DJAARN CC(C)(C)c1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000000033032 563211208 /nfs/dbraw/zinc/21/12/08/563211208.db2.gz XVKVUVXGHSLFMC-UHFFFAOYSA-N 0 0 301.817 4.568 50 0 DJAARN O=C(NC1CCCC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000035699 563211183 /nfs/dbraw/zinc/21/11/83/563211183.db2.gz AIXLKDYPIBRHLH-SFHVURJKSA-N 0 0 311.450 4.579 50 0 DJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000000037673 563211315 /nfs/dbraw/zinc/21/13/15/563211315.db2.gz NYLVFJLCDJMJEU-SNVBAGLBSA-N 0 0 309.793 4.598 50 0 DJAARN O=C(Nc1ccccc1F)c1ccc(OCc2ccccc2)cc1 ZINC000000037771 563211423 /nfs/dbraw/zinc/21/14/23/563211423.db2.gz LAKFNQDTQMMYJV-UHFFFAOYSA-N 0 0 321.351 4.657 50 0 DJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 ZINC000000041115 563211469 /nfs/dbraw/zinc/21/14/69/563211469.db2.gz ZHYZAGROICXTJV-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN Cc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1 ZINC000000042860 563211657 /nfs/dbraw/zinc/21/16/57/563211657.db2.gz AGBJMTQPMLUICF-RISCZKNCSA-N 0 0 312.240 4.833 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000000042848 563211716 /nfs/dbraw/zinc/21/17/16/563211716.db2.gz UGJQTLCKTCHRMH-RISCZKNCSA-N 0 0 312.240 4.833 50 0 DJAARN CC[C@@H](Sc1ccccn1)C(=O)Nc1cccc2ccccc21 ZINC000000052015 563212072 /nfs/dbraw/zinc/21/20/72/563212072.db2.gz UFGVGGPPLFQSSE-QGZVFWFLSA-N 0 0 322.433 4.744 50 0 DJAARN Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)c(C)c1 ZINC000000059384 563212219 /nfs/dbraw/zinc/21/22/19/563212219.db2.gz UQFOJWJFALFSBD-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN O=c1oc2c(cc(O)cc2-c2ccc(Cl)cc2Cl)s1 ZINC000000064805 563212491 /nfs/dbraw/zinc/21/24/91/563212491.db2.gz KCXKDHDEFPGGIC-UHFFFAOYSA-N 0 0 313.161 4.534 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1C ZINC000000068952 563212767 /nfs/dbraw/zinc/21/27/67/563212767.db2.gz DUGLIXKPCKYPRU-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN c1nc(-c2ccccc2)oc1CSc1nc2ccccc2o1 ZINC000000069609 563212843 /nfs/dbraw/zinc/21/28/43/563212843.db2.gz HAEVMXLVKJENRU-UHFFFAOYSA-N 0 0 308.362 4.775 50 0 DJAARN COc1cccc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)c1 ZINC000000075389 563214138 /nfs/dbraw/zinc/21/41/38/563214138.db2.gz LYGTYQPBMJQGEF-UHFFFAOYSA-N 0 0 323.392 4.522 50 0 DJAARN O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccccc1 ZINC000000087577 563215144 /nfs/dbraw/zinc/21/51/44/563215144.db2.gz KCHBRRCLUGULSC-QGZVFWFLSA-N 0 0 306.390 4.519 50 0 DJAARN S=C(NCc1cccs1)Nc1cc(Cl)cc(Cl)c1 ZINC000000089115 563215219 /nfs/dbraw/zinc/21/52/19/563215219.db2.gz XMNMKWJRKWXYQW-UHFFFAOYSA-N 0 0 317.266 4.542 50 0 DJAARN Cc1cc2c(cc1C)[C@@H](c1ccc(Cl)c(F)c1)CC(=O)N2 ZINC000000093777 563215790 /nfs/dbraw/zinc/21/57/90/563215790.db2.gz AZJFWEPNHDEVRZ-GFCCVEGCSA-N 0 0 303.764 4.570 50 0 DJAARN CN(C(=O)Oc1ccc(Cl)c2cccnc12)c1ccccc1 ZINC000000099923 563217143 /nfs/dbraw/zinc/21/71/43/563217143.db2.gz OSGKGELZYPFSPJ-UHFFFAOYSA-N 0 0 312.756 4.523 50 0 DJAARN CCN(CC)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000000102196 563217391 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BEJIWRPAZUJNDO-NSHDSACASA-N 0 0 313.447 4.722 50 0 DJAARN Fc1cccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000000212014 563446900 /nfs/dbraw/zinc/44/69/00/563446900.db2.gz JGZFMISFKWYSLQ-UHFFFAOYSA-N 0 0 308.234 4.562 50 0 DJAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)oc2C)c1 ZINC000000432584 563447599 /nfs/dbraw/zinc/44/75/99/563447599.db2.gz YDSNMHFWCWCENB-UHFFFAOYSA-N 0 0 319.360 4.710 50 0 DJAARN CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000001086103 563448020 /nfs/dbraw/zinc/44/80/20/563448020.db2.gz OOEPTWYVKXPRLY-ZWKOTPCHSA-N 0 0 323.480 4.736 50 0 DJAARN CCN(Cc1ccccc1)c1cc(C)c2cccc(OC)c2n1 ZINC000016667413 563448788 /nfs/dbraw/zinc/44/87/88/563448788.db2.gz XXUAMBJPGQDIDK-UHFFFAOYSA-N 0 0 306.409 4.578 50 0 DJAARN CCCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)sc1C ZINC000032962554 563451090 /nfs/dbraw/zinc/45/10/90/563451090.db2.gz GORCNLPPBUKQKD-UHFFFAOYSA-N 0 0 323.845 4.923 50 0 DJAARN Cc1cccc([C@@H]2CCCCCN2C(=O)NC2CCCCC2)c1 ZINC000035561603 563453474 /nfs/dbraw/zinc/45/34/74/563453474.db2.gz PFAIRYBOLURBEP-IBGZPJMESA-N 0 0 314.473 4.954 50 0 DJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000036621063 563455899 /nfs/dbraw/zinc/45/58/99/563455899.db2.gz WWCLMUGOEPYKOS-LJQANCHMSA-N 0 0 324.424 4.681 50 0 DJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000036620730 563455913 /nfs/dbraw/zinc/45/59/13/563455913.db2.gz NYWVDYABCQPEMP-IBGZPJMESA-N 0 0 308.425 4.926 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000036620670 563455949 /nfs/dbraw/zinc/45/59/49/563455949.db2.gz SYSMOZKFUUPVNH-LJQANCHMSA-N 0 0 324.424 4.627 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)c1C ZINC000036620692 563456111 /nfs/dbraw/zinc/45/61/11/563456111.db2.gz WUQGNBZETMASLE-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN Fc1ccc(-c2nnc(NCc3ccco3)c3ccccc32)cc1 ZINC000033012161 563461881 /nfs/dbraw/zinc/46/18/81/563461881.db2.gz LZFKQXOJGXYEOJ-UHFFFAOYSA-N 0 0 319.339 4.641 50 0 DJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1c(F)cccc1Cl ZINC000049547516 563467224 /nfs/dbraw/zinc/46/72/24/563467224.db2.gz OQGLQIDRLYNURH-SECBINFHSA-N 0 0 321.783 4.554 50 0 DJAARN CC(C)c1cccc(NC(=S)N2c3ccccc3C[C@H]2C)c1 ZINC000072332228 563472041 /nfs/dbraw/zinc/47/20/41/563472041.db2.gz CJVBYYOSZPNGQY-CQSZACIVSA-N 0 0 310.466 4.958 50 0 DJAARN COc1ccc2nc(/C=C\c3cccnc3Cl)sc2c1 ZINC000096315911 563477195 /nfs/dbraw/zinc/47/71/95/563477195.db2.gz SLYSMPVHOSLEJA-DAXSKMNVSA-N 0 0 302.786 4.524 50 0 DJAARN O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(Cl)ccc1Cl ZINC000011203884 563481187 /nfs/dbraw/zinc/48/11/87/563481187.db2.gz ASQUHGCCWXCBNX-INIZCTEOSA-N 0 0 320.219 4.875 50 0 DJAARN O=C(Nc1ccccc1CCC(F)(F)F)[C@H]1C[C@H]1c1ccco1 ZINC000096462315 563483690 /nfs/dbraw/zinc/48/36/90/563483690.db2.gz NMFSGHPFHAVVAE-OLZOCXBDSA-N 0 0 323.314 4.517 50 0 DJAARN Cc1cc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1 ZINC000000027771 563495080 /nfs/dbraw/zinc/49/50/80/563495080.db2.gz CDXYLQIEJIVONM-UHFFFAOYSA-N 0 0 312.323 4.550 50 0 DJAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)c1ccco1 ZINC000033106063 563496584 /nfs/dbraw/zinc/49/65/84/563496584.db2.gz STRAHISGPQTYLL-UHFFFAOYSA-N 0 0 302.333 4.680 50 0 DJAARN CCc1cc(CC)c(/N=c2\ssnc2Cl)c(CC)c1 ZINC000004686007 563497934 /nfs/dbraw/zinc/49/79/34/563497934.db2.gz XTFSYVDXZBUFJG-PEZBUJJGSA-N 0 0 312.891 4.778 50 0 DJAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000071281570 563498601 /nfs/dbraw/zinc/49/86/01/563498601.db2.gz RFXMESIPDJENNE-GFCCVEGCSA-N 0 0 323.318 4.606 50 0 DJAARN Cc1ccc(C2CC(=O)N(c3ccc(C(C)C)cc3)C(=O)C2)cc1 ZINC000033256449 563502481 /nfs/dbraw/zinc/50/24/81/563502481.db2.gz LNSXBBOFWRRZGM-UHFFFAOYSA-N 0 0 321.420 4.556 50 0 DJAARN COc1ccc(CNc2ccc(C)c(C)c2)cc1OC(F)F ZINC000097151378 563507420 /nfs/dbraw/zinc/50/74/20/563507420.db2.gz SWIQVCFCDZLKCG-UHFFFAOYSA-N 0 0 307.340 4.526 50 0 DJAARN CCOC(=O)CSc1c2ccccc2[nH]c1-c1cccs1 ZINC000000036652 563507821 /nfs/dbraw/zinc/50/78/21/563507821.db2.gz RPMRHXZIJWNMJC-UHFFFAOYSA-N 0 0 317.435 4.552 50 0 DJAARN Cc1ccc([C@H](C)n2ccnc2-c2ccc(F)c(Cl)c2)nc1 ZINC000077427026 563510264 /nfs/dbraw/zinc/51/02/64/563510264.db2.gz CPLQXMYTVLNNEJ-LBPRGKRZSA-N 0 0 315.779 4.655 50 0 DJAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000000045268 563512447 /nfs/dbraw/zinc/51/24/47/563512447.db2.gz RHDNKNVNMHTZRE-CMPLNLGQSA-N 0 0 318.631 4.870 50 0 DJAARN Cc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000045095 563512497 /nfs/dbraw/zinc/51/24/97/563512497.db2.gz BDJKORIDQCTXFG-UHFFFAOYSA-N 0 0 317.388 4.826 50 0 DJAARN Cc1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000000048019 563512536 /nfs/dbraw/zinc/51/25/36/563512536.db2.gz CDBGYQYJVSVNNK-GFCCVEGCSA-N 0 0 305.830 4.768 50 0 DJAARN CC[C@@H](C)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000000044987 563512593 /nfs/dbraw/zinc/51/25/93/563512593.db2.gz YREJBDXEHHJLPB-RKXVYHDYSA-N 0 0 323.392 4.581 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000048083 563512694 /nfs/dbraw/zinc/51/26/94/563512694.db2.gz UVNPPYLIZQSYLG-JXMROGBWSA-N 0 0 306.192 4.954 50 0 DJAARN O=C(Nc1ccc(O)c(Cl)c1)Nc1cccc2ccccc21 ZINC000097212588 563513469 /nfs/dbraw/zinc/51/34/69/563513469.db2.gz ACEIYXCKKMAJEN-UHFFFAOYSA-N 0 0 312.756 4.843 50 0 DJAARN CCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000000056276 563515077 /nfs/dbraw/zinc/51/50/77/563515077.db2.gz XFDSMPXOUBPOGQ-UHFFFAOYSA-N 0 0 300.789 4.679 50 0 DJAARN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271133 563517362 /nfs/dbraw/zinc/51/73/62/563517362.db2.gz COJGPGMTJZHEPT-YYWHXJBOSA-N 0 0 323.436 4.947 50 0 DJAARN COc1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc1C ZINC000033271192 563517993 /nfs/dbraw/zinc/51/79/93/563517993.db2.gz RTURGYOEUKJNFI-DQLDELGASA-N 0 0 323.436 4.865 50 0 DJAARN O=[N+]([O-])/C=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000033316323 563520012 /nfs/dbraw/zinc/52/00/12/563520012.db2.gz KATVCJBVHSKCLM-QXMHVHEDSA-N 0 0 305.333 4.666 50 0 DJAARN COc1ccccc1CCC(=O)c1c(Cl)cccc1Cl ZINC000085651833 563521209 /nfs/dbraw/zinc/52/12/09/563521209.db2.gz FVQSHPPZBVMCCY-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN Fc1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000033327192 563521864 /nfs/dbraw/zinc/52/18/64/563521864.db2.gz WVIGDIZQUOYERG-UHFFFAOYSA-N 0 0 311.143 4.588 50 0 DJAARN Cc1cc(OCc2nc3cc(Cl)ccc3[nH]2)ccc1Cl ZINC000033327194 563521963 /nfs/dbraw/zinc/52/19/63/563521963.db2.gz LLNUSDHHOTUBOF-UHFFFAOYSA-N 0 0 307.180 4.757 50 0 DJAARN Cc1nc2ccccn2c1-c1csc(Nc2ccccc2)n1 ZINC000000073569 563522639 /nfs/dbraw/zinc/52/26/39/563522639.db2.gz OTPPMCHBFVFQRJ-UHFFFAOYSA-N 0 0 306.394 4.510 50 0 DJAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1C(C)C)C2 ZINC000011368715 563522775 /nfs/dbraw/zinc/52/27/75/563522775.db2.gz XJCVAGNNNKGIJW-GOSISDBHSA-N 0 0 311.450 4.774 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)c1cccc2ncccc21 ZINC000011429130 563526363 /nfs/dbraw/zinc/52/63/63/563526363.db2.gz WCDYWSFYKYTOMS-UHFFFAOYSA-N 0 0 304.393 4.919 50 0 DJAARN C[C@@H](NC(=O)CSC1CCCC1)c1ccc2ccccc2c1 ZINC000011445028 563527094 /nfs/dbraw/zinc/52/70/94/563527094.db2.gz SABODDPGMHJDIJ-CQSZACIVSA-N 0 0 313.466 4.693 50 0 DJAARN CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(OC)cc1 ZINC000000090184 563528465 /nfs/dbraw/zinc/52/84/65/563528465.db2.gz MNKMQHXNIIDBOM-UHFFFAOYSA-N 0 0 323.392 4.549 50 0 DJAARN CCc1oc2ccccc2c1C[C@H]1c2cc(C)ccc2NC1=O ZINC000101015958 563555824 /nfs/dbraw/zinc/55/58/24/563555824.db2.gz DRLHAQTVMAOZNZ-INIZCTEOSA-N 0 0 305.377 4.582 50 0 DJAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(F)c1 ZINC000014427753 563567663 /nfs/dbraw/zinc/56/76/63/563567663.db2.gz ZYTISFCVTPMNHS-UHFFFAOYSA-N 0 0 309.340 4.657 50 0 DJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000000240799 563580967 /nfs/dbraw/zinc/58/09/67/563580967.db2.gz NDTXQQIJHFVMAI-UHFFFAOYSA-N 0 0 323.186 4.559 50 0 DJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1Cl ZINC000000126812 563572265 /nfs/dbraw/zinc/57/22/65/563572265.db2.gz GFGJPLFDXLREKI-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)Oc3ccccc3)n2)cc1 ZINC000000142493 563572851 /nfs/dbraw/zinc/57/28/51/563572851.db2.gz NUMQEFOHRMPDNE-UHFFFAOYSA-N 0 0 310.378 4.729 50 0 DJAARN CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(C)cc1 ZINC000000145919 563573302 /nfs/dbraw/zinc/57/33/02/563573302.db2.gz IVTXNXPPULECBR-UHFFFAOYSA-N 0 0 324.355 4.603 50 0 DJAARN O=Cc1c(Cl)n(-c2ccccc2)nc1-c1ccccc1Cl ZINC000000160432 563574097 /nfs/dbraw/zinc/57/40/97/563574097.db2.gz OLJCTXQGWWFQJD-UHFFFAOYSA-N 0 0 317.175 4.659 50 0 DJAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(F)cc1 ZINC000000172560 563574629 /nfs/dbraw/zinc/57/46/29/563574629.db2.gz NHHBWBGZWKFWDI-UHFFFAOYSA-N 0 0 303.336 4.649 50 0 DJAARN Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000000199775 563577319 /nfs/dbraw/zinc/57/73/19/563577319.db2.gz OCGZEEVWSNLTIN-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN Cc1ccc(Nc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000000195118 563577553 /nfs/dbraw/zinc/57/75/53/563577553.db2.gz SMWKEUKJWUQZTR-UHFFFAOYSA-N 0 0 312.376 4.744 50 0 DJAARN Cc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc1C ZINC000000218060 563579237 /nfs/dbraw/zinc/57/92/37/563579237.db2.gz VUTKMBZCPKWJIZ-UHFFFAOYSA-N 0 0 318.420 4.657 50 0 DJAARN c1coc(CNc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000000119346 563581802 /nfs/dbraw/zinc/58/18/02/563581802.db2.gz AZNLVBWSZDPKAA-UHFFFAOYSA-N 0 0 301.349 4.502 50 0 in-vitro DJAARN CC(C)OCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC000078702903 563583023 /nfs/dbraw/zinc/58/30/23/563583023.db2.gz JXXXZRKEFNDVBZ-CRAIPNDOSA-N 0 0 318.461 4.654 50 0 DJAARN COc1ccc(NC(=O)c2ccc(Cl)s2)c2ccccc12 ZINC000000263533 563583675 /nfs/dbraw/zinc/58/36/75/563583675.db2.gz UFWDNGOXKOWTKU-UHFFFAOYSA-N 0 0 317.797 4.816 50 0 DJAARN Cc1nc2cccc(C(=O)Oc3cc(C(C)C)ccc3C)c2o1 ZINC000000269563 563583681 /nfs/dbraw/zinc/58/36/81/563583681.db2.gz HQATVEOPLUWAQT-UHFFFAOYSA-N 0 0 309.365 4.787 50 0 DJAARN COc1ccc2oc(C)c([C@H](O)c3cc4ccccc4o3)c2c1 ZINC000000287000 563584679 /nfs/dbraw/zinc/58/46/79/563584679.db2.gz UDNOIWWVCIBVEA-LJQANCHMSA-N 0 0 308.333 4.578 50 0 DJAARN CSc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000000382411 563591230 /nfs/dbraw/zinc/59/12/30/563591230.db2.gz UUXYWDPDLNZECP-LJQANCHMSA-N 0 0 321.449 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Cc1cc2cc(N[C@H](C)c3nc(-c4cccs4)no3)ccc2[nH]1 ZINC000113307992 563700770 /nfs/dbraw/zinc/70/07/70/563700770.db2.gz IHNPGWBECIJLSX-LLVKDONJSA-N 0 0 324.409 4.761 50 0 DJAARN Cc1cc([C@H](C)NC(=O)c2sccc2C2CC2)c(C)s1 ZINC000049376611 563701122 /nfs/dbraw/zinc/70/11/22/563701122.db2.gz BIKTYLJPTULERB-JTQLQIEISA-N 0 0 305.468 4.795 50 0 DJAARN C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000002488674 563711356 /nfs/dbraw/zinc/71/13/56/563711356.db2.gz QSMGJTRUTOVFLO-LLVKDONJSA-N 0 0 300.745 4.530 50 0 DJAARN c1ccc(-c2nnc(SC[C@H]3CCCO3)c3ccccc32)cc1 ZINC000007150853 563714010 /nfs/dbraw/zinc/71/40/10/563714010.db2.gz ZLOZQUUFFIBMSB-OAHLLOKOSA-N 0 0 322.433 4.568 50 0 DJAARN O=C1CCc2cc(-c3csc(-c4ccc(F)cc4)n3)ccc2N1 ZINC000008209436 563719322 /nfs/dbraw/zinc/71/93/22/563719322.db2.gz COWKRFRMYQECHH-UHFFFAOYSA-N 0 0 324.380 4.501 50 0 DJAARN O=C(/C=C\c1ccco1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000033299906 563723774 /nfs/dbraw/zinc/72/37/74/563723774.db2.gz ZGGPVBCLRHSYMI-NTMALXAHSA-N 0 0 301.345 4.503 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/nfs/dbraw/zinc/78/83/50/563788350.db2.gz GELCRIZFYWNEKG-UHFFFAOYSA-N 0 0 304.324 4.762 50 0 DJAARN CCCCCc1nn2cc(-c3ccc(OCC)cc3)nc2s1 ZINC000007994998 563795388 /nfs/dbraw/zinc/79/53/88/563795388.db2.gz PYFOKKHLCISKTD-UHFFFAOYSA-N 0 0 315.442 4.589 50 0 DJAARN CCCSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000001915573 563796891 /nfs/dbraw/zinc/79/68/91/563796891.db2.gz VFOIQWWXFUWCES-UHFFFAOYSA-N 0 0 304.415 5.000 50 0 DJAARN Clc1cccc(-c2nc3ccccc3c(N3CCCCC3)n2)c1 ZINC000001910702 563797015 /nfs/dbraw/zinc/79/70/15/563797015.db2.gz KLSYWRXVJNSPNA-UHFFFAOYSA-N 0 0 323.827 4.941 50 0 DJAARN COCCSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000012535170 563799102 /nfs/dbraw/zinc/79/91/02/563799102.db2.gz WOZMIZSBURBDNO-UHFFFAOYSA-N 0 0 322.480 4.605 50 0 DJAARN Fc1ccccc1CSc1nnc(NC2CCCCC2)s1 ZINC000003353936 563801010 /nfs/dbraw/zinc/80/10/10/563801010.db2.gz QRCCVEUBAPBQDL-UHFFFAOYSA-N 0 0 323.462 4.714 50 0 DJAARN O=C(Nc1cccnc1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000012558289 563800895 /nfs/dbraw/zinc/80/08/95/563800895.db2.gz WHFIFEHIKJXHJL-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1ccccc1 ZINC000012557912 563801104 /nfs/dbraw/zinc/80/11/04/563801104.db2.gz YPYGICJDEFRPPE-LBPRGKRZSA-N 0 0 315.829 4.774 50 0 DJAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000012619573 563804265 /nfs/dbraw/zinc/80/42/65/563804265.db2.gz KIFFYPCMBJTKSI-KRWDZBQOSA-N 0 0 311.450 4.576 50 0 DJAARN CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000004026261 563807502 /nfs/dbraw/zinc/80/75/02/563807502.db2.gz BEMDNVDKNPNGEB-JIEGHDRBSA-N 0 0 314.469 4.724 50 0 biogenic DJAARN C[C@H](c1ccccc1F)[S@@](=O)Cc1ccc(Cl)s1 ZINC000078556137 563808280 /nfs/dbraw/zinc/80/82/80/563808280.db2.gz UBVYZQFRQAOGFT-DYBLOJMWSA-N 0 0 302.823 4.551 50 0 DJAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C)CC3)c12 ZINC000012692277 563811180 /nfs/dbraw/zinc/81/11/80/563811180.db2.gz ICMDUTXDZYOERC-UHFFFAOYSA-N 0 0 323.465 4.903 50 0 DJAARN O=C(c1cccc(Cl)c1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032103476 563811397 /nfs/dbraw/zinc/81/13/97/563811397.db2.gz QDPPWGCCWWKHJN-UHFFFAOYSA-N 0 0 324.811 4.626 50 0 DJAARN COc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(C)c2c1 ZINC000001385028 563814606 /nfs/dbraw/zinc/81/46/06/563814606.db2.gz UERPSAPRJVFXDR-UHFFFAOYSA-N 0 0 300.741 4.634 50 0 DJAARN Cc1cccc(CN2c3cc(Cl)ccc3SCCC2=O)c1 ZINC000001386857 563814954 /nfs/dbraw/zinc/81/49/54/563814954.db2.gz OBLUEIWUPYCZAS-UHFFFAOYSA-N 0 0 317.841 4.677 50 0 DJAARN CSc1nc2ccccc2c(Oc2ccc(Cl)cc2)n1 ZINC000001392706 563817419 /nfs/dbraw/zinc/81/74/19/563817419.db2.gz KWWOPHQBEYKVCD-UHFFFAOYSA-N 0 0 302.786 4.797 50 0 DJAARN Cc1nc2nc3ccccc3n2c(C)c1C/C=C/c1ccccc1 ZINC000001393576 563817421 /nfs/dbraw/zinc/81/74/21/563817421.db2.gz BPFAKDVJWAVMLB-DHZHZOJOSA-N 0 0 313.404 4.755 50 0 DJAARN FC(F)(F)c1c/c(=N\Cc2ccccc2)c2ccccc2o1 ZINC000001408601 563819084 /nfs/dbraw/zinc/81/90/84/563819084.db2.gz WLINXJHDYMXACG-KGENOOAVSA-N 0 0 303.283 4.553 50 0 DJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1c(Cl)cccc1Cl ZINC000001435524 563828174 /nfs/dbraw/zinc/82/81/74/563828174.db2.gz PNUIWRKNXBQGKB-SNVBAGLBSA-N 0 0 306.192 4.585 50 0 DJAARN C[C@@H](NC(=O)NCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000012770527 563828450 /nfs/dbraw/zinc/82/84/50/563828450.db2.gz HAAQZRWKMFSKOD-LLVKDONJSA-N 0 0 323.223 4.554 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(Cl)cc1 ZINC000012774447 563828891 /nfs/dbraw/zinc/82/88/91/563828891.db2.gz AOAAEYRDGNYKMB-UHFFFAOYSA-N 0 0 322.795 4.963 50 0 DJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CC1(Cl)Cl ZINC000012779838 563829980 /nfs/dbraw/zinc/82/99/80/563829980.db2.gz VHMCJNVQXUGZEY-LBPRGKRZSA-N 0 0 322.191 4.611 50 0 DJAARN C[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccc1F ZINC000012782052 563830478 /nfs/dbraw/zinc/83/04/78/563830478.db2.gz XLVPMDNPFYTYDS-HNNXBMFYSA-N 0 0 319.379 4.984 50 0 DJAARN Cc1nc(-c2cccc(C)c2)sc1C(=O)Nc1ccccc1 ZINC000012801574 563835099 /nfs/dbraw/zinc/83/50/99/563835099.db2.gz HUNGBXRXBWLONA-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN COc1cc(C)c2c(c1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]21 ZINC000013467330 563839833 /nfs/dbraw/zinc/83/98/33/563839833.db2.gz LHXMMRGMJDCCPZ-QBVCYTKMSA-N 0 0 314.469 4.611 50 0 DJAARN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000000303678 563842323 /nfs/dbraw/zinc/84/23/23/563842323.db2.gz LMTFTYYGICMZDN-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN CC(C)n1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21 ZINC000085879029 563844148 /nfs/dbraw/zinc/84/41/48/563844148.db2.gz QZYSOBPGOBXMPA-UHFFFAOYSA-N 0 0 317.392 4.956 50 0 biogenic DJAARN CC(C)c1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000000396990 563846118 /nfs/dbraw/zinc/84/61/18/563846118.db2.gz HIWGVTHEFMEDEN-HUUCEWRRSA-N 0 0 318.461 4.575 50 0 DJAARN Cc1cccc(C)c1-n1c(=S)[nH]n(-c2ccccc2)c1=S ZINC000000410061 563846762 /nfs/dbraw/zinc/84/67/62/563846762.db2.gz DVWRTBMMZCIBEX-UHFFFAOYSA-N 0 0 313.451 4.672 50 0 DJAARN O=C(Nc1ccccc1C(F)(F)F)Sc1ccccc1O ZINC000003086219 563847456 /nfs/dbraw/zinc/84/74/56/563847456.db2.gz VRHNZPYXHFSPBC-UHFFFAOYSA-N 0 0 313.300 4.735 50 0 DJAARN Cc1cc(C)c(C)c([C@@H](OCC[NH+](C)C)c2ccccc2)c1C ZINC000044559813 563847750 /nfs/dbraw/zinc/84/77/50/563847750.db2.gz ASZGHNNKTQHAFA-NRFANRHFSA-N 0 0 311.469 4.588 50 0 DJAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1cccc(Cl)c1 ZINC000012901552 563853083 /nfs/dbraw/zinc/85/30/83/563853083.db2.gz WKJXXBHSNBGTIW-AWEZNQCLSA-N 0 0 323.823 4.913 50 0 DJAARN O=C(CCSCc1cccc(Cl)c1)Nc1cccc(F)c1 ZINC000012908599 563853409 /nfs/dbraw/zinc/85/34/09/563853409.db2.gz OBBVJMSWWMAZPL-UHFFFAOYSA-N 0 0 323.820 4.741 50 0 DJAARN CC(C)c1ccc(CSc2nnc(NC3CC3)s2)cc1 ZINC000012908771 563853426 /nfs/dbraw/zinc/85/34/26/563853426.db2.gz WSDYPNKHPPQWOG-UHFFFAOYSA-N 0 0 305.472 4.528 50 0 DJAARN CCc1cc(C(=O)N2CC=C(c3ccccc3)CC2)sc1C ZINC000012918976 563853954 /nfs/dbraw/zinc/85/39/54/563853954.db2.gz VDORMSHOEIUNSB-UHFFFAOYSA-N 0 0 311.450 4.548 50 0 DJAARN Cc1nc2cc(NC(=O)c3cccc4ccccc43)ccc2o1 ZINC000012925871 563854873 /nfs/dbraw/zinc/85/48/73/563854873.db2.gz PSUAXRPQWAIYOZ-UHFFFAOYSA-N 0 0 302.333 4.542 50 0 DJAARN CCN(CC)c1nc2cc(Cl)ccc2c(-c2ccccc2)n1 ZINC000075109333 563860519 /nfs/dbraw/zinc/86/05/19/563860519.db2.gz PWQMIDIQOONCDS-UHFFFAOYSA-N 0 0 311.816 4.796 50 0 DJAARN Cc1ccc(S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000075252682 563861932 /nfs/dbraw/zinc/86/19/32/563861932.db2.gz SREHSKKPKZAFHB-UHFFFAOYSA-N 0 0 322.385 4.727 50 0 DJAARN Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccc(O)cc1)C2 ZINC000075261206 563862284 /nfs/dbraw/zinc/86/22/84/563862284.db2.gz DKYTXPNYRZNICJ-INIZCTEOSA-N 0 0 318.376 4.539 50 0 DJAARN Cc1noc2c1N=C(c1ccccc1)C[C@@H](c1ccc(O)cc1)C2 ZINC000075261205 563862390 /nfs/dbraw/zinc/86/23/90/563862390.db2.gz DKYTXPNYRZNICJ-MRXNPFEDSA-N 0 0 318.376 4.539 50 0 DJAARN O=C(NCc1ccc(-c2ccco2)o1)c1cc2ccccc2s1 ZINC000575608000 563865307 /nfs/dbraw/zinc/86/53/07/563865307.db2.gz HFGAOXMZKOLCTO-UHFFFAOYSA-N 0 0 323.373 4.684 50 0 DJAARN O=C(NC1CCCCC1)N1CCC[C@H]1c1ccccc1Cl ZINC000035476545 563867709 /nfs/dbraw/zinc/86/77/09/563867709.db2.gz BDRIBTKTSGIWRO-INIZCTEOSA-N 0 0 306.837 4.519 50 0 DJAARN C[C@@H](Cc1csc2ccccc12)NC(=O)Nc1cccs1 ZINC000575619398 563867911 /nfs/dbraw/zinc/86/79/11/563867911.db2.gz DPDNAIIOJDZWCQ-NSHDSACASA-N 0 0 316.451 4.716 50 0 DJAARN CC(C)NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075456110 563871481 /nfs/dbraw/zinc/87/14/81/563871481.db2.gz WSHPSBSLHWKEKC-UHFFFAOYSA-N 0 0 311.360 4.504 50 0 DJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1c(C)cccc1C ZINC000035536502 563872344 /nfs/dbraw/zinc/87/23/44/563872344.db2.gz OSSFDNSMSFKCIH-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Cc1cccc(NC(=O)c2csc(Nc3ccccc3)n2)c1C ZINC000035596740 563872444 /nfs/dbraw/zinc/87/24/44/563872444.db2.gz COKBZEZCQSXDPH-UHFFFAOYSA-N 0 0 323.421 4.756 50 0 DJAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(Cc2ccccc2)C2CC2)o1 ZINC000031087250 563873372 /nfs/dbraw/zinc/87/33/72/563873372.db2.gz VULXMQLMKLSIHU-MTVPDVBBSA-N 0 0 321.420 4.607 50 0 DJAARN O=C(CCc1ccc(F)cc1)Nc1cccc(Cl)c1Cl ZINC000032736186 563873428 /nfs/dbraw/zinc/87/34/28/563873428.db2.gz IPAFCEWPKFRBOF-UHFFFAOYSA-N 0 0 312.171 4.704 50 0 DJAARN O=C(NC1CCCCC1)N(Cc1ccccc1)c1ccccc1 ZINC000000284780 563873862 /nfs/dbraw/zinc/87/38/62/563873862.db2.gz SGSKMRZHYOGTQA-UHFFFAOYSA-N 0 0 308.425 4.736 50 0 DJAARN CC(C)c1ccc(NC(=O)CCc2cccc3[nH]ccc32)cc1 ZINC000075509189 563878024 /nfs/dbraw/zinc/87/80/24/563878024.db2.gz FOGYMQDNWVTVDG-UHFFFAOYSA-N 0 0 306.409 4.863 50 0 DJAARN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@H]23)cc1 ZINC000035360479 563878158 /nfs/dbraw/zinc/87/81/58/563878158.db2.gz LHZMSJCAPLSGGD-UXPWSPDFSA-N 0 0 309.409 4.638 50 0 DJAARN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCCC[C@H]23)cc1 ZINC000035360481 563878295 /nfs/dbraw/zinc/87/82/95/563878295.db2.gz LHZMSJCAPLSGGD-LSTHTHJFSA-N 0 0 309.409 4.638 50 0 DJAARN C/C(C=NNC(=O)c1ccc(F)cc1)=C/c1ccc(C(C)C)cc1 ZINC000006633730 563891805 /nfs/dbraw/zinc/89/18/05/563891805.db2.gz YEASJPJNXQGQOO-COGVCOMVSA-N 0 0 324.399 4.768 50 0 DJAARN COc1c2cc(F)ccc2sc1C(=O)NC1CCCCCC1 ZINC000064756417 563893151 /nfs/dbraw/zinc/89/31/51/563893151.db2.gz VZWVVZRYHOFTDX-UHFFFAOYSA-N 0 0 321.417 4.502 50 0 DJAARN Cc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c(Cl)c1 ZINC000007973443 563894585 /nfs/dbraw/zinc/89/45/85/563894585.db2.gz PNPYXFUGEWOSIG-UHFFFAOYSA-N 0 0 303.833 4.659 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2cccc(Cl)c2)c2ccccc2O1 ZINC000006843775 563896693 /nfs/dbraw/zinc/89/66/93/563896693.db2.gz TTYCHSUUSRUIAD-AWEZNQCLSA-N 0 0 316.788 4.550 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2ccccc2C)c2cc(C)ccc2O1 ZINC000006843170 563896765 /nfs/dbraw/zinc/89/67/65/563896765.db2.gz ZYULZGSASQEIHD-HNNXBMFYSA-N 0 0 310.397 4.513 50 0 DJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCSc2ccccc21 ZINC000006876855 563897462 /nfs/dbraw/zinc/89/74/62/563897462.db2.gz ZFPDNOFALWHXOO-UHFFFAOYSA-N 0 0 322.792 4.623 50 0 DJAARN Cc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)c(C)c1 ZINC000006876946 563897989 /nfs/dbraw/zinc/89/79/89/563897989.db2.gz SJYWBCGZOYDFAW-CQSZACIVSA-N 0 0 312.438 4.836 50 0 DJAARN Cc1ccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)cc1F ZINC000006876954 563898003 /nfs/dbraw/zinc/89/80/03/563898003.db2.gz RUGMIACKABDLLV-GFCCVEGCSA-N 0 0 316.401 4.667 50 0 DJAARN CN(Cc1ccc(Cl)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006934769 563899628 /nfs/dbraw/zinc/89/96/28/563899628.db2.gz PLEIFYFBSNMFEA-UHFFFAOYSA-N 0 0 317.860 4.515 50 0 DJAARN CN(Cc1cccs1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000006946406 563899931 /nfs/dbraw/zinc/89/99/31/563899931.db2.gz UOUFXOBMLAZCOD-UHFFFAOYSA-N 0 0 323.417 4.813 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)CCCC(=O)c1ccccc1 ZINC000006946775 563900056 /nfs/dbraw/zinc/90/00/56/563900056.db2.gz KBBZQWPAFNEAMU-UHFFFAOYSA-N 0 0 315.800 4.640 50 0 DJAARN COc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000007007487 563901206 /nfs/dbraw/zinc/90/12/06/563901206.db2.gz KIFFOQKXQFIAJB-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1C ZINC000036620989 563901503 /nfs/dbraw/zinc/90/15/03/563901503.db2.gz NLFMZDXEZGIAMD-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 ZINC000007053052 563901856 /nfs/dbraw/zinc/90/18/56/563901856.db2.gz ARPXVXPYHVDXMB-ZDUSSCGKSA-N 0 0 317.454 4.618 50 0 DJAARN CCN(C(=O)c1cccc(C)c1C)c1nc2c(cccc2C)s1 ZINC000007166505 563904015 /nfs/dbraw/zinc/90/40/15/563904015.db2.gz RYAPQWOWPVSPSV-UHFFFAOYSA-N 0 0 324.449 4.888 50 0 DJAARN Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(Cl)c1 ZINC000007403963 563906117 /nfs/dbraw/zinc/90/61/17/563906117.db2.gz OTAFLGBHPHIURB-UHFFFAOYSA-N 0 0 323.845 4.573 50 0 DJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccsc1 ZINC000037136418 563906306 /nfs/dbraw/zinc/90/63/06/563906306.db2.gz IVGNMORAYWQHMM-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN C[C@@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000007483503 563906691 /nfs/dbraw/zinc/90/66/91/563906691.db2.gz HXFPXSLIFBPDQK-GFCCVEGCSA-N 0 0 305.830 4.600 50 0 DJAARN CC(=O)c1ccccc1NCc1c(C)cc(C)c(C(C)=O)c1C ZINC000170600481 563907264 /nfs/dbraw/zinc/90/72/64/563907264.db2.gz DKBOSEMJNUGZDT-UHFFFAOYSA-N 0 0 309.409 4.629 50 0 DJAARN CC(C)[C@H](C)N(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000170607054 563907731 /nfs/dbraw/zinc/90/77/31/563907731.db2.gz DIMYELWNGWUBCN-KMYSJOAASA-N 0 0 303.490 4.628 50 0 DJAARN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626865 563908795 /nfs/dbraw/zinc/90/87/95/563908795.db2.gz FYYKTWLARSGTOT-NRFANRHFSA-N 0 0 309.453 4.528 50 0 DJAARN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCCCCC1 ZINC000010028970 563909219 /nfs/dbraw/zinc/90/92/19/563909219.db2.gz MVTHHCBOJYPVCX-UHFFFAOYSA-N 0 0 311.450 4.530 50 0 DJAARN CC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000004543816 563909765 /nfs/dbraw/zinc/90/97/65/563909765.db2.gz VRRHHTISESGZFN-MLZLACJZSA-N 0 0 312.453 4.644 50 0 DJAARN CCc1cccc(C)c1NC(=S)Nc1cc(C)ccc1OC ZINC000013788977 563910018 /nfs/dbraw/zinc/91/00/18/563910018.db2.gz BQYWTRXCSURCJJ-UHFFFAOYSA-N 0 0 314.454 4.683 50 0 DJAARN CCc1cccc(CC)c1NC(=S)Nc1cccc(OC)c1 ZINC000013789030 563910100 /nfs/dbraw/zinc/91/01/00/563910100.db2.gz BAOCEKUPWSQXRE-UHFFFAOYSA-N 0 0 314.454 4.629 50 0 DJAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000000150766 563912743 /nfs/dbraw/zinc/91/27/43/563912743.db2.gz YIRCMCOCKDVLOY-INIZCTEOSA-N 0 0 323.436 4.570 50 0 DJAARN Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000002825646 563913116 /nfs/dbraw/zinc/91/31/16/563913116.db2.gz RCSDXYYRTBCJNB-UHFFFAOYSA-N 0 0 315.416 4.521 50 0 aggregator DJAARN Cc1cccc2nc(CNc3cccc(OC4CCCC4)c3)cn21 ZINC000170639493 563913872 /nfs/dbraw/zinc/91/38/72/563913872.db2.gz XHFUPTABXBMLAG-UHFFFAOYSA-N 0 0 321.424 4.576 50 0 DJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1O ZINC000000394441 563915543 /nfs/dbraw/zinc/91/55/43/563915543.db2.gz BGEMAKTZPJNUSX-UHFFFAOYSA-N 0 0 316.571 4.605 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Cl)c3ncsc32)cc1 ZINC000007598760 563915579 /nfs/dbraw/zinc/91/55/79/563915579.db2.gz OOHGECCNFCSMCH-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000002544846 563915772 /nfs/dbraw/zinc/91/57/72/563915772.db2.gz CKCQKRVBJKKWRO-UHFFFAOYSA-N 0 0 318.372 4.972 50 0 DJAARN CSc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002521017 563915783 /nfs/dbraw/zinc/91/57/83/563915783.db2.gz VETVSIJLOJCERN-NYYWCZLTSA-N 0 0 303.814 4.714 50 0 DJAARN Cc1ccc(Cl)c(Oc2cc(N3CCCCCC3)ncn2)c1 ZINC000037378238 563916492 /nfs/dbraw/zinc/91/64/92/563916492.db2.gz GFEKIEXJAJHYON-UHFFFAOYSA-N 0 0 317.820 4.611 50 0 DJAARN CCCCOc1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000002192277 563917100 /nfs/dbraw/zinc/91/71/00/563917100.db2.gz MZVAGNCWTKLXIW-UHFFFAOYSA-N 0 0 324.424 4.676 50 0 DJAARN COCC[C@H](Nc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000170664025 563917615 /nfs/dbraw/zinc/91/76/15/563917615.db2.gz YLOHQRLWGRJKQJ-AWEZNQCLSA-N 0 0 316.788 4.671 50 0 DJAARN COc1ccc(OC)c(-c2csc(-c3cccc(F)c3)n2)c1 ZINC000007643514 563917697 /nfs/dbraw/zinc/91/76/97/563917697.db2.gz KTHCDSCMQZSOHJ-UHFFFAOYSA-N 0 0 315.369 4.633 50 0 DJAARN O=C(CCSCc1ccccc1)Nc1ccccc1Cl ZINC000007685435 563917957 /nfs/dbraw/zinc/91/79/57/563917957.db2.gz CULGZWQRLWOLEJ-UHFFFAOYSA-N 0 0 305.830 4.602 50 0 DJAARN CC(=O)Nc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1 ZINC000007716540 563918060 /nfs/dbraw/zinc/91/80/60/563918060.db2.gz HIUTVTCTRGFKNL-UXBLZVDNSA-N 0 0 308.406 4.734 50 0 DJAARN COc1cc(C)ccc1OCc1cncc(-c2cccc(F)c2)c1 ZINC000037554204 563918688 /nfs/dbraw/zinc/91/86/88/563918688.db2.gz OISYGOTWBJYGNA-UHFFFAOYSA-N 0 0 323.367 4.784 50 0 DJAARN Cc1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 ZINC000007756325 563918742 /nfs/dbraw/zinc/91/87/42/563918742.db2.gz KKYCAJIYVPGLAT-UHFFFAOYSA-N 0 0 317.388 4.750 50 0 DJAARN Cc1cccc(COc2ccc(-c3noc(C(C)C)n3)cc2)c1 ZINC000037553473 563918743 /nfs/dbraw/zinc/91/87/43/563918743.db2.gz ADWKDBPQQJMQOL-UHFFFAOYSA-N 0 0 308.381 4.747 50 0 DJAARN Cc1nc2c3cc(F)ccc3n(Cc3ccc(F)cc3)c2s1 ZINC000002213378 563919108 /nfs/dbraw/zinc/91/91/08/563919108.db2.gz CTANUUGNHLPFEJ-UHFFFAOYSA-N 0 0 314.360 4.886 50 0 DJAARN c1coc(CNc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000007777377 563919109 /nfs/dbraw/zinc/91/91/09/563919109.db2.gz GEDYDPAIVDOLSP-UHFFFAOYSA-N 0 0 314.454 4.816 50 0 DJAARN CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccccc1 ZINC000007814240 563919898 /nfs/dbraw/zinc/91/98/98/563919898.db2.gz FFXQIVAJCQUOPD-AWEZNQCLSA-N 0 0 313.466 4.931 50 0 DJAARN c1csc([C@H](Nc2ncnc3sccc32)c2ccccc2)c1 ZINC000007907416 563920405 /nfs/dbraw/zinc/92/04/05/563920405.db2.gz ZUHOQPNEGBVGPI-OAHLLOKOSA-N 0 0 323.446 4.954 50 0 DJAARN CSc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000003477194 563920456 /nfs/dbraw/zinc/92/04/56/563920456.db2.gz HWWTVKJVFKCIJT-RIYZIHGNSA-N 0 0 301.798 4.555 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027704014 563923751 /nfs/dbraw/zinc/92/37/51/563923751.db2.gz AURFZBICLPNKBZ-KYDMIEGSSA-N 0 0 318.501 4.595 50 0 biogenic DJAARN CSc1ccc(NC(=O)c2c(C)nc3ccccc3c2C)cc1 ZINC000253417506 563925154 /nfs/dbraw/zinc/92/51/54/563925154.db2.gz JCMPKWJDZXAGQE-UHFFFAOYSA-N 0 0 322.433 4.826 50 0 DJAARN Cc1c(C)c(-c2ccc(C(=O)N3CCCC3(C)C)cc2)ccc1O ZINC000584884231 563925336 /nfs/dbraw/zinc/92/53/36/563925336.db2.gz XSQOLTLPQSKONN-UHFFFAOYSA-N 0 0 323.436 4.691 50 0 DJAARN CC1(C)Nc2cc3c(cc2-c2c(=S)ssc21)OCCO3 ZINC000253495553 563926418 /nfs/dbraw/zinc/92/64/18/563926418.db2.gz JESODOGHTMJARI-UHFFFAOYSA-N 0 0 323.464 4.638 50 0 DJAARN CC(C)Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000002383630 563927631 /nfs/dbraw/zinc/92/76/31/563927631.db2.gz VREFZLVBMVNKQN-CLVCIHKQSA-N 0 0 307.437 4.776 50 0 DJAARN CCCCOc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000002442199 563928571 /nfs/dbraw/zinc/92/85/71/563928571.db2.gz WLKJGEUMYUUHII-UHFFFAOYSA-N 0 0 310.349 4.764 50 0 biogenic DJAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000012655750 563928845 /nfs/dbraw/zinc/92/88/45/563928845.db2.gz LPIHDSBQLYQECR-NADOGSGZSA-N 0 0 316.485 4.938 50 0 biogenic DJAARN O=C(CCSCc1cccc(F)c1)Nc1cccc(Cl)c1 ZINC000012988354 563929080 /nfs/dbraw/zinc/92/90/80/563929080.db2.gz FETVKPBRXZSLFO-UHFFFAOYSA-N 0 0 323.820 4.741 50 0 DJAARN COCc1cc(Sc2ccc(C)cc2)nc(-c2ccccc2)n1 ZINC000012955127 563929142 /nfs/dbraw/zinc/92/91/42/563929142.db2.gz YJAVWYQNIQRGKC-UHFFFAOYSA-N 0 0 322.433 4.750 50 0 DJAARN CC[C@H](C)c1ccccc1NC(=O)COc1cccc(Cl)c1 ZINC000013062810 563929359 /nfs/dbraw/zinc/92/93/59/563929359.db2.gz WIUSTZVTHZGPRY-ZDUSSCGKSA-N 0 0 317.816 4.871 50 0 DJAARN CC(C)[C@H]1SCC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 ZINC000079490576 563930400 /nfs/dbraw/zinc/93/04/00/563930400.db2.gz NGOHOLKQWYUWMD-CQSZACIVSA-N 0 0 321.833 4.558 50 0 DJAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)/C=C/c1cccs1 ZINC000390831435 563930801 /nfs/dbraw/zinc/93/08/01/563930801.db2.gz RVJRJPIVFJGOIO-HBWSCVEGSA-N 0 0 323.527 4.674 50 0 DJAARN Cc1cccc2c(C3=CCN(C(=O)OC(C)(C)C)CC3)c[nH]c21 ZINC000094993300 563930988 /nfs/dbraw/zinc/93/09/88/563930988.db2.gz ZJTOHOIHPHMURQ-UHFFFAOYSA-N 0 0 312.413 4.501 50 0 DJAARN CCCn1c2ccc(Cl)cc2nc1-c1cnn(C(C)(C)C)c1 ZINC000095352969 563931131 /nfs/dbraw/zinc/93/11/31/563931131.db2.gz IGAVRMBQMLZNSB-UHFFFAOYSA-N 0 0 316.836 4.718 50 0 DJAARN COc1ccc2cc(CNc3c(C)nn(C(C)C)c3C)ccc2c1 ZINC000095352909 563931178 /nfs/dbraw/zinc/93/11/78/563931178.db2.gz BDKCGNOFAGNYOQ-UHFFFAOYSA-N 0 0 323.440 4.855 50 0 DJAARN CN(C)c1c(Cl)cccc1NCc1cccc2cccnc21 ZINC000095350775 563931230 /nfs/dbraw/zinc/93/12/30/563931230.db2.gz CRNVDLXXAGDCCS-UHFFFAOYSA-N 0 0 311.816 4.566 50 0 DJAARN Cc1ccc(-c2nc(N3CCCC[C@@H]3C)nc3ccccc32)cc1 ZINC000095945536 563932130 /nfs/dbraw/zinc/93/21/30/563932130.db2.gz OBSVDHWCDHMSAQ-INIZCTEOSA-N 0 0 317.436 4.984 50 0 DJAARN Cc1cccc(CC(=O)NCc2ccccc2-c2ccsc2)c1 ZINC000096122885 563935661 /nfs/dbraw/zinc/93/56/61/563935661.db2.gz PVONGPRPZAQPGB-UHFFFAOYSA-N 0 0 321.445 4.582 50 0 DJAARN COc1cc(Nc2nc(-c3cc(C)oc3C)cs2)ccc1F ZINC000096124480 563935667 /nfs/dbraw/zinc/93/56/67/563935667.db2.gz TXOVBGAUNVRPHM-UHFFFAOYSA-N 0 0 318.373 4.911 50 0 DJAARN CC[C@@H](C)Oc1ccc(-c2noc(-c3cccc(OC)c3)n2)cc1 ZINC000096280668 563935972 /nfs/dbraw/zinc/93/59/72/563935972.db2.gz VUFUWVTUVJHZBI-CYBMUJFWSA-N 0 0 324.380 4.590 50 0 DJAARN COc1ccc(/C=C\c2nc3ccccc3o2)cc1OC(F)F ZINC000096400359 563936540 /nfs/dbraw/zinc/93/65/40/563936540.db2.gz CLZPANYDQJDSMH-CLFYSBASSA-N 0 0 317.291 4.608 50 0 DJAARN Cc1ccccc1Nc1c(-c2cccnc2)nc2cccc(C)n21 ZINC000002468908 563938069 /nfs/dbraw/zinc/93/80/69/563938069.db2.gz RCDVKZRXKRQFGH-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN CC/C=C(/C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000055803744 563939131 /nfs/dbraw/zinc/93/91/31/563939131.db2.gz UBZKQKJELWKQTM-ZROIWOOFSA-N 0 0 322.408 4.542 50 0 DJAARN CC(=O)c1cccc(NC(=O)C2CCC(C(C)(C)C)CC2)c1 ZINC000002618114 563939549 /nfs/dbraw/zinc/93/95/49/563939549.db2.gz FFEABHRORNHCLN-UHFFFAOYSA-N 0 0 301.430 4.680 50 0 DJAARN Cc1ccc(Nc2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000002633442 563939680 /nfs/dbraw/zinc/93/96/80/563939680.db2.gz MNJBRPROIHUEIK-UHFFFAOYSA-N 0 0 318.424 4.672 50 0 DJAARN O=C(NCC1CCCCC1)c1sc2ccccc2c1Cl ZINC000002644434 563940015 /nfs/dbraw/zinc/94/00/15/563940015.db2.gz SZRWEVKLGILIKD-UHFFFAOYSA-N 0 0 307.846 4.865 50 0 DJAARN COc1ccc(OC(=O)c2cc3ccccc3o2)c(C(C)(C)C)c1 ZINC000002641323 563940033 /nfs/dbraw/zinc/94/00/33/563940033.db2.gz RHVODYYHYPNNFI-UHFFFAOYSA-N 0 0 324.376 4.958 50 0 DJAARN Cc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000002679681 563940343 /nfs/dbraw/zinc/94/03/43/563940343.db2.gz IGJMBHZYWBZLQB-QGOAFFKASA-N 0 0 319.404 4.637 50 0 DJAARN CC(C)OC(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000002750941 563940526 /nfs/dbraw/zinc/94/05/26/563940526.db2.gz VNVKKFWJUQOHGC-UHFFFAOYSA-N 0 0 310.349 4.577 50 0 DJAARN Cc1ccc2nc(-c3nnc(-c4ccccc4Cl)o3)ccc2c1 ZINC000002786363 563940762 /nfs/dbraw/zinc/94/07/62/563940762.db2.gz BRMNXMADKLWEDO-UHFFFAOYSA-N 0 0 321.767 4.914 50 0 DJAARN Cc1ccc(CSCCC(=O)NCCC2=CCCCC2)cc1 ZINC000002943818 563941012 /nfs/dbraw/zinc/94/10/12/563941012.db2.gz LVNGAGGSJOKECY-UHFFFAOYSA-N 0 0 317.498 4.625 50 0 DJAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(C)n2)c1 ZINC000028997974 563941108 /nfs/dbraw/zinc/94/11/08/563941108.db2.gz UPHJBFZRBDVDKJ-UHFFFAOYSA-N 0 0 316.404 4.545 50 0 DJAARN O=C(CCSCc1ccccc1F)NC1CCCCCCC1 ZINC000002953780 563941426 /nfs/dbraw/zinc/94/14/26/563941426.db2.gz HYCLRIROEDHMCV-UHFFFAOYSA-N 0 0 323.477 4.678 50 0 DJAARN Cc1ccc(-c2nc3ccccc3n2OCc2ccccc2)cc1 ZINC000003052885 563941721 /nfs/dbraw/zinc/94/17/21/563941721.db2.gz KSTXRPRMPYOCCI-UHFFFAOYSA-N 0 0 314.388 4.641 50 0 DJAARN CCCNC(=O)c1c2ccccc2nc(-c2ccccc2)c1CC ZINC000003040671 563941842 /nfs/dbraw/zinc/94/18/42/563941842.db2.gz KTBSKSWCCQGFSF-UHFFFAOYSA-N 0 0 318.420 4.604 50 0 DJAARN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000003181521 563942643 /nfs/dbraw/zinc/94/26/43/563942643.db2.gz VDEXIZUPZWECHQ-UHFFFAOYSA-N 0 0 308.834 4.500 50 0 DJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(F)cc1F ZINC000003226340 563942937 /nfs/dbraw/zinc/94/29/37/563942937.db2.gz QXAIJFVCQGZVQQ-UHFFFAOYSA-N 0 0 323.342 4.808 50 0 DJAARN CC(C)(C)CC(C)(C)NC(=O)c1cc(F)c(F)cc1Cl ZINC000003236003 563943209 /nfs/dbraw/zinc/94/32/09/563943209.db2.gz CEESBRUJGNSOSV-UHFFFAOYSA-N 0 0 303.780 4.563 50 0 DJAARN COc1ccc(C(=O)CNc2ccccc2-c2ccccc2)cc1 ZINC000003273045 563943561 /nfs/dbraw/zinc/94/35/61/563943561.db2.gz ASGXALZQKAPMNB-UHFFFAOYSA-N 0 0 317.388 4.657 50 0 DJAARN Cc1ccc(C)c(OC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003353701 563943710 /nfs/dbraw/zinc/94/37/10/563943710.db2.gz NNDRNVVYTVPOSW-UHFFFAOYSA-N 0 0 309.192 4.758 50 0 DJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(OC(F)F)c2C)C1(C)C ZINC000058341493 563944252 /nfs/dbraw/zinc/94/42/52/563944252.db2.gz MONOWMWXQYMZEV-IUODEOHRSA-N 0 0 323.383 4.773 50 0 DJAARN Fc1cc2cccnc2c(CSc2nc3ccccc3[nH]2)c1 ZINC000031612139 563944567 /nfs/dbraw/zinc/94/45/67/563944567.db2.gz AGGFCYXYEJOTCF-UHFFFAOYSA-N 0 0 309.369 4.543 50 0 DJAARN CSc1ccc([C@@H](C)NC(=O)c2ccccc2Cl)cc1 ZINC000031694950 563944816 /nfs/dbraw/zinc/94/48/16/563944816.db2.gz QGNSCTNRBXKOEJ-LLVKDONJSA-N 0 0 305.830 4.553 50 0 DJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C)cc1C ZINC000031872521 563944908 /nfs/dbraw/zinc/94/49/08/563944908.db2.gz ABJBHHMZSUFZTG-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN CCOC(=O)c1cc(-c2ccccc2)c2c(C)c(C)sc2n1 ZINC000059461883 563945771 /nfs/dbraw/zinc/94/57/71/563945771.db2.gz TZPZVLKWSIPNSE-UHFFFAOYSA-N 0 0 311.406 4.757 50 0 DJAARN Cc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)o1 ZINC000008039785 563946291 /nfs/dbraw/zinc/94/62/91/563946291.db2.gz BEOBGLUEWNZZEF-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN Cc1sc2ncnc(N3CCCc4cc(C)ccc43)c2c1C ZINC000008188024 563947225 /nfs/dbraw/zinc/94/72/25/563947225.db2.gz HYDIJLQAEJPUBX-UHFFFAOYSA-N 0 0 309.438 4.701 50 0 DJAARN COc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000008287180 563947522 /nfs/dbraw/zinc/94/75/22/563947522.db2.gz FRILEAPROPHZPJ-UHFFFAOYSA-N 0 0 321.376 4.527 50 0 biogenic DJAARN Cc1ccc(NC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 ZINC000008327597 563947805 /nfs/dbraw/zinc/94/78/05/563947805.db2.gz AUUKYIMXRZILPD-AWEZNQCLSA-N 0 0 312.438 4.918 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)s1 ZINC000008316179 563947919 /nfs/dbraw/zinc/94/79/19/563947919.db2.gz FTLWPRJKKARAEZ-UHFFFAOYSA-N 0 0 306.456 4.699 50 0 DJAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000008367959 563948138 /nfs/dbraw/zinc/94/81/38/563948138.db2.gz YWZWRAVQCKEZSH-WFASDCNBSA-N 0 0 317.429 4.835 50 0 DJAARN CCc1cccc(Nc2cc(C(=O)OC)nc3c(C)cccc23)c1 ZINC000038487129 563948293 /nfs/dbraw/zinc/94/82/93/563948293.db2.gz HEEHROHABKPIRN-UHFFFAOYSA-N 0 0 320.392 4.636 50 0 DJAARN C[C@H](Oc1ccccc1Cl)c1nnc(-c2cccs2)o1 ZINC000008392554 563948385 /nfs/dbraw/zinc/94/83/85/563948385.db2.gz SXVSESIMWYEYID-VIFPVBQESA-N 0 0 306.774 4.592 50 0 DJAARN Cc1[nH]c2ccccc2c1-c1nc(-c2ccccn2)sc1C ZINC000008391151 563948504 /nfs/dbraw/zinc/94/85/04/563948504.db2.gz ZRAUVDSGIZNXNU-UHFFFAOYSA-N 0 0 305.406 4.970 50 0 DJAARN O=C(/C=C/c1cc2cc(Cl)ccc2o1)NC1CCCCC1 ZINC000067339288 563949050 /nfs/dbraw/zinc/94/90/50/563949050.db2.gz HEFSGJGLSJAKJS-VQHVLOKHSA-N 0 0 303.789 4.548 50 0 DJAARN c1csc(-c2cnc(CSc3nc4ccccc4[nH]3)o2)c1 ZINC000067428291 563949313 /nfs/dbraw/zinc/94/93/13/563949313.db2.gz VIMFPHCTJOPZFB-UHFFFAOYSA-N 0 0 313.407 4.572 50 0 DJAARN COc1ccc(-c2nc(-c3ccc(C)s3)cs2)cc1OC ZINC000008718859 563950293 /nfs/dbraw/zinc/95/02/93/563950293.db2.gz NLIRQJJXNRZJIY-UHFFFAOYSA-N 0 0 317.435 4.864 50 0 DJAARN Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000008748717 563950382 /nfs/dbraw/zinc/95/03/82/563950382.db2.gz QOAFCHTUSNQKHL-HKUYNNGSSA-N 0 0 324.468 4.617 50 0 DJAARN c1ccc(Oc2ccc(-c3nnc(-c4cccnc4)o3)cc2)cc1 ZINC000008755793 563950552 /nfs/dbraw/zinc/95/05/52/563950552.db2.gz MRDICUUNASEJCM-UHFFFAOYSA-N 0 0 315.332 4.591 50 0 DJAARN O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(Cl)c1 ZINC000040157567 563951672 /nfs/dbraw/zinc/95/16/72/563951672.db2.gz QIWVNWJRDJKHCW-UHFFFAOYSA-N 0 0 308.768 4.654 50 0 DJAARN CC[C@H](C)N1Cc2ccccc2N(CC)[C@H]1c1ccccc1F ZINC000245261351 563952394 /nfs/dbraw/zinc/95/23/94/563952394.db2.gz RODLRMNVEAZBRE-MGPUTAFESA-N 0 0 312.432 4.965 50 0 DJAARN Cc1cc(CSCC(=O)Nc2ccc(C)c(C)c2)cs1 ZINC000009211453 563954122 /nfs/dbraw/zinc/95/41/22/563954122.db2.gz ZNXWISPYYPEABN-UHFFFAOYSA-N 0 0 305.468 4.545 50 0 DJAARN Cc1ccc(C[S@@](=O)Cc2csc(C3CCCC3)n2)cc1 ZINC000069814681 563954836 /nfs/dbraw/zinc/95/48/36/563954836.db2.gz XMJBZAHEZLNFSY-NRFANRHFSA-N 0 0 319.495 4.558 50 0 DJAARN C[C@@H]1CCC[C@@]2(CCc3cc4c5c(c(=O)oc4cc3O2)CCC5)C1 ZINC000009341405 563955301 /nfs/dbraw/zinc/95/53/01/563955301.db2.gz ODZKOGJLVWIJHF-LRTDBIEQSA-N 0 0 324.420 4.556 50 0 DJAARN CCc1ccc2occ(CC(=O)Nc3ccc(C)cc3C)c2c1 ZINC000009430797 563955932 /nfs/dbraw/zinc/95/59/32/563955932.db2.gz PGIXDGSNSKPBEL-UHFFFAOYSA-N 0 0 307.393 4.793 50 0 DJAARN CC(C)c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1 ZINC000009527291 563956637 /nfs/dbraw/zinc/95/66/37/563956637.db2.gz YTKDWCTYZWCOJV-UHFFFAOYSA-N 0 0 312.394 4.779 50 0 DJAARN Cc1nnc(-c2cc3ccccc3n2Cc2ccccc2Cl)o1 ZINC000009573864 563956903 /nfs/dbraw/zinc/95/69/03/563956903.db2.gz NVPMXZIVOUOMDI-UHFFFAOYSA-N 0 0 323.783 4.701 50 0 DJAARN C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1cccs1 ZINC000009577627 563956920 /nfs/dbraw/zinc/95/69/20/563956920.db2.gz GSBJSZQDXGFVDC-GFCCVEGCSA-N 0 0 322.433 4.665 50 0 DJAARN Cc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2)o1 ZINC000009573862 563957029 /nfs/dbraw/zinc/95/70/29/563957029.db2.gz HPLIOEAYCXNFBO-UHFFFAOYSA-N 0 0 323.783 4.701 50 0 DJAARN Cc1cc(O[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1Cl ZINC000009740272 563957602 /nfs/dbraw/zinc/95/76/02/563957602.db2.gz KAJHPXWPJIMTIZ-LBPRGKRZSA-N 0 0 314.772 4.838 50 0 DJAARN COc1cccc(CC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000009835105 563957797 /nfs/dbraw/zinc/95/77/97/563957797.db2.gz TURBSAJRWNFTJT-UHFFFAOYSA-N 0 0 317.388 4.543 50 0 DJAARN O=C(c1ccc2ccccc2c1)N1CCC[C@H]1c1ccccc1 ZINC000009894967 563957895 /nfs/dbraw/zinc/95/78/95/563957895.db2.gz IWAGZLCRRKUMMN-FQEVSTJZSA-N 0 0 301.389 4.817 50 0 DJAARN CC(C)[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000009936644 563958024 /nfs/dbraw/zinc/95/80/24/563958024.db2.gz WEQSJVQFUDSXEE-WOJBJXKFSA-N 0 0 322.452 4.834 50 0 DJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](C)c1ccccc1 ZINC000010091581 563958105 /nfs/dbraw/zinc/95/81/05/563958105.db2.gz QDTUCLJPFVBFAM-GFCCVEGCSA-N 0 0 324.811 4.688 50 0 DJAARN CCCCCNc1cc(C)nc2c(-c3ccc(C)cc3)cnn21 ZINC000010383634 563958816 /nfs/dbraw/zinc/95/88/16/563958816.db2.gz USIHSDJSXADVAA-UHFFFAOYSA-N 0 0 308.429 4.615 50 0 DJAARN COc1ccc(-c2nc(NC3=NCCCCC3)sc2C)cc1 ZINC000006383590 563960019 /nfs/dbraw/zinc/96/00/19/563960019.db2.gz ZWWBESRJLHFGRU-UHFFFAOYSA-N 0 0 315.442 4.512 50 0 DJAARN Cc1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1Cl ZINC000000520617 568414604 /nfs/dbraw/zinc/41/46/04/568414604.db2.gz FTKFYDUWNAVZCS-UHFFFAOYSA-N 0 0 315.829 4.885 50 0 DJAARN Cc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000012584539 568417329 /nfs/dbraw/zinc/41/73/29/568417329.db2.gz PHOKOYMKUUPIOP-FQEVSTJZSA-N 0 0 311.388 4.984 50 0 DJAARN Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000006326566 568418490 /nfs/dbraw/zinc/41/84/90/568418490.db2.gz KIFLZGQNHCTJPO-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000006974665 568419033 /nfs/dbraw/zinc/41/90/33/568419033.db2.gz HOMOAPBJPGLDSX-CQSZACIVSA-N 0 0 324.399 4.507 50 0 DJAARN Cc1nc2cc(Br)c(F)cc2n1C1CCCCC1 ZINC000095495626 185374222 /nfs/dbraw/zinc/37/42/22/185374222.db2.gz KOSGUAKYZFFIMB-UHFFFAOYSA-N 0 0 311.198 4.752 50 0 DJAARN CC(C)(C)OC(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000079034602 185147714 /nfs/dbraw/zinc/14/77/14/185147714.db2.gz BRJSIVVEEVRPCH-UHFFFAOYSA-N 0 0 322.202 4.949 50 0 DJAARN C[C@@H](c1ccccc1F)[S@](=O)CCc1ccccc1Cl ZINC000083080045 185212929 /nfs/dbraw/zinc/21/29/29/185212929.db2.gz NGWGKDDPPPVEGT-YUNKPMOVSA-N 0 0 310.821 4.532 50 0 DJAARN Cc1cccc(/C=C(/Cl)c2nc(-c3ccsc3)no2)c1 ZINC000096920084 185391448 /nfs/dbraw/zinc/39/14/48/185391448.db2.gz AJVNRWSTSGMIIY-MDWZMJQESA-N 0 0 302.786 4.843 50 0 DJAARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1cccc(C)c1 ZINC000096920660 185391834 /nfs/dbraw/zinc/39/18/34/185391834.db2.gz YNLBQONVEMTOGK-QWPQOLDESA-N 0 0 311.450 4.606 50 0 DJAARN Cc1cc(C)cc(NC(=O)/C=C\c2cccc3cccnc23)c1 ZINC000096941235 185393217 /nfs/dbraw/zinc/39/32/17/185393217.db2.gz DTDMFFZZFNOSGJ-HJWRWDBZSA-N 0 0 302.377 4.504 50 0 DJAARN COc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000000337365 190612520 /nfs/dbraw/zinc/61/25/20/190612520.db2.gz PZFNSTDTONSREJ-UHFFFAOYSA-N 0 0 305.164 4.612 50 0 DJAARN CCOC(=O)c1sc(Nc2cccc3ccccc32)nc1C ZINC000006844177 190624259 /nfs/dbraw/zinc/62/42/59/190624259.db2.gz UPVPQOCCMLZRMS-UHFFFAOYSA-N 0 0 312.394 4.525 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCC(c2ccccc2)CC1 ZINC000006864097 190624842 /nfs/dbraw/zinc/62/48/42/190624842.db2.gz JJSXGQYOILINIT-UHFFFAOYSA-N 0 0 314.816 4.752 50 0 DJAARN CC(=O)Nc1ccccc1OCc1ccc(-c2ccccc2)cc1 ZINC000005111872 190620965 /nfs/dbraw/zinc/62/09/65/190620965.db2.gz GCNBOUYPKATDQO-UHFFFAOYSA-N 0 0 317.388 4.891 50 0 DJAARN O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000095409140 185356961 /nfs/dbraw/zinc/35/69/61/185356961.db2.gz ZFDZWJROTMLNSJ-GOEBONIOSA-N 0 0 313.347 4.616 50 0 DJAARN O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@H]1C[C@H]1C1CC1 ZINC000095409141 185357062 /nfs/dbraw/zinc/35/70/62/185357062.db2.gz ZFDZWJROTMLNSJ-HOCLYGCPSA-N 0 0 313.347 4.616 50 0 DJAARN C[C@H](NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000013791858 190639051 /nfs/dbraw/zinc/63/90/51/190639051.db2.gz YWQXKPBBVCDTFF-NSHDSACASA-N 0 0 324.371 4.753 50 0 DJAARN O=C(c1ccc(Cl)cc1F)N1CCCCC[C@H]1c1ccco1 ZINC000082155630 192362608 /nfs/dbraw/zinc/36/26/08/192362608.db2.gz OLAZLBUQFQEWPG-HNNXBMFYSA-N 0 0 321.779 4.830 50 0 DJAARN Cc1nnc(-c2cccc(NCc3cc4cc(F)ccc4o3)c2)o1 ZINC000095429207 185362639 /nfs/dbraw/zinc/36/26/39/185362639.db2.gz GPNPKSKCOLKQJZ-UHFFFAOYSA-N 0 0 323.327 4.542 50 0 DJAARN Cn1ccnc1-c1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000095462131 185370870 /nfs/dbraw/zinc/37/08/70/185370870.db2.gz VBBOVBAGFGCDAL-UHFFFAOYSA-N 0 0 315.785 4.610 50 0 DJAARN CSc1ccc([C@H](C)N[C@@H](C)c2nc(C)cs2)cc1F ZINC000097016765 185397423 /nfs/dbraw/zinc/39/74/23/185397423.db2.gz FHHNUGDBDYYKOR-QWRGUYRKSA-N 0 0 310.463 4.724 50 0 DJAARN Cc1cc(-c2n[nH]c(=S)n2[C@@H](C)c2ccccc2)cs1 ZINC000017030730 190642344 /nfs/dbraw/zinc/64/23/44/190642344.db2.gz AOTVAHDIKAJGTF-NSHDSACASA-N 0 0 301.440 4.587 50 0 DJAARN CCC(C)(C)NC(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000063568827 190696900 /nfs/dbraw/zinc/69/69/00/190696900.db2.gz YENKWGDOQYFSQO-UHFFFAOYSA-N 0 0 316.470 4.654 50 0 DJAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2ccccc2C)C1(C)C ZINC000108065471 185499789 /nfs/dbraw/zinc/49/97/89/185499789.db2.gz XOQTVXHPOFSNEY-GUDVDZBRSA-N 0 0 311.469 4.897 50 0 DJAARN Cc1cccc(Nc2c(-c3ccccc3)nc3cnccn32)c1C ZINC000064657092 190703102 /nfs/dbraw/zinc/70/31/02/190703102.db2.gz LABGLDFPWVEJPJ-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN COc1c(C(=O)NC2CCCCCC2)sc2cccc(F)c21 ZINC000064756291 190704033 /nfs/dbraw/zinc/70/40/33/190704033.db2.gz TXVPSGBYWIQMLT-UHFFFAOYSA-N 0 0 321.417 4.502 50 0 DJAARN c1ccc(C2=N[C@H](C3CCCCC3)N3[C@H]2[C@@H]3c2ccccc2)cc1 ZINC000230068376 201860389 /nfs/dbraw/zinc/86/03/89/201860389.db2.gz DGQMTTFLMATLGQ-KMJPJMMTSA-N 0 0 316.448 4.821 50 0 DJAARN COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(F)c3)ccc2c1 ZINC000068755619 190781658 /nfs/dbraw/zinc/78/16/58/190781658.db2.gz JRMGKNZTUXCUBQ-CYBMUJFWSA-N 0 0 323.367 4.730 50 0 DJAARN O=C(Nc1ccccc1F)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344055 192149866 /nfs/dbraw/zinc/14/98/66/192149866.db2.gz ITWMCASWIOBGOJ-QWHCGFSZSA-N 0 0 324.182 4.875 50 0 DJAARN Clc1cccc(-c2cnn3c2nccc3-c2cccs2)c1 ZINC000071754924 191024871 /nfs/dbraw/zinc/02/48/71/191024871.db2.gz MHOFAJPPLQSWSY-UHFFFAOYSA-N 0 0 311.797 4.778 50 0 DJAARN Clc1cncc(Cl)c1CN1CCCC[C@@H]1c1ccccn1 ZINC000072127145 191043273 /nfs/dbraw/zinc/04/32/73/191043273.db2.gz KFXTZSPWKHBEBF-MRXNPFEDSA-N 0 0 322.239 4.511 50 0 DJAARN Fc1ccc(C(F)(F)F)cc1CN1CCC[C@H]1c1ccccn1 ZINC000072161770 191061797 /nfs/dbraw/zinc/06/17/97/191061797.db2.gz RCTGFYYYNWNKLA-INIZCTEOSA-N 0 0 324.321 4.577 50 0 DJAARN Cc1noc([C@H](C)SCc2ccc(Cl)c(Cl)c2)n1 ZINC000072272735 191095682 /nfs/dbraw/zinc/09/56/82/191095682.db2.gz AOFLWXLPWXVRHW-ZETCQYMHSA-N 0 0 303.214 4.679 50 0 DJAARN O=C(c1ccc2ccccc2n1)N1CCCCC[C@@H]1c1ccco1 ZINC000072290574 191108132 /nfs/dbraw/zinc/10/81/32/191108132.db2.gz UKGHCACDXBQKJN-GOSISDBHSA-N 0 0 320.392 4.585 50 0 DJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1c1cc(Cl)nc(C)n1 ZINC000072318930 191121305 /nfs/dbraw/zinc/12/13/05/191121305.db2.gz JMCCOLNASMVXQJ-HZPDHXFCSA-N 0 0 315.848 4.601 50 0 DJAARN CC(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000072331635 191125324 /nfs/dbraw/zinc/12/53/24/191125324.db2.gz VCTBKETUYCVWPL-UHFFFAOYSA-N 0 0 321.342 4.759 50 0 DJAARN Cc1ccc2c(c1)sc(C(=O)N1CCCCCC1)c2Cl ZINC000000064801 180681787 /nfs/dbraw/zinc/68/17/87/180681787.db2.gz CGZXSXDQZDQOGZ-UHFFFAOYSA-N 0 0 307.846 4.879 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000000041697 180675294 /nfs/dbraw/zinc/67/52/94/180675294.db2.gz HVEDLURBBJSRAU-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN CN(Cc1ccccc1)C(=O)c1sc2ccccc2c1Cl ZINC000000043050 180676148 /nfs/dbraw/zinc/67/61/48/180676148.db2.gz IYNGZFWYQMVNFX-UHFFFAOYSA-N 0 0 315.825 4.827 50 0 DJAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000045985 180676903 /nfs/dbraw/zinc/67/69/03/180676903.db2.gz HAACXFCBOZIKQH-FPYGCLRLSA-N 0 0 310.155 4.784 50 0 DJAARN O=C(c1ccc(F)cc1)N1c2ccccc2CCc2ccccc21 ZINC000000055117 180679531 /nfs/dbraw/zinc/67/95/31/180679531.db2.gz ARVNJCBUCQXYTF-UHFFFAOYSA-N 0 0 317.363 4.903 50 0 DJAARN CC(=O)Nc1ccc(Nc2nc(-c3ccccc3)cs2)cc1 ZINC000000073553 180684762 /nfs/dbraw/zinc/68/47/62/180684762.db2.gz XPIKAPWOCLQOOV-UHFFFAOYSA-N 0 0 309.394 4.512 50 0 DJAARN FC(F)(F)c1cccc(-c2nnc3ccc4ccccc4n32)c1 ZINC000000078561 180685633 /nfs/dbraw/zinc/68/56/33/180685633.db2.gz FYOLBHBFJJJIIT-UHFFFAOYSA-N 0 0 313.282 4.568 50 0 DJAARN CCC(=O)c1ccc(Oc2ncnc3sc(C)c(C)c32)cc1 ZINC000000102584 180693218 /nfs/dbraw/zinc/69/32/18/180693218.db2.gz KVQRTBKFIABJGW-UHFFFAOYSA-N 0 0 312.394 4.693 50 0 DJAARN Cc1cc2occ(CC(=O)Nc3ccc(Cl)cc3)c2cc1C ZINC000072427547 191161916 /nfs/dbraw/zinc/16/19/16/191161916.db2.gz KVVQEXHSRMMJRA-UHFFFAOYSA-N 0 0 313.784 4.884 50 0 DJAARN Cc1cc(OC(=O)c2cc3ccccc3o2)cc(C)c1Cl ZINC000000118107 180698849 /nfs/dbraw/zinc/69/88/49/180698849.db2.gz KRSUGHVMWXFUFV-UHFFFAOYSA-N 0 0 300.741 4.922 50 0 DJAARN Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2 ZINC000000130300 180702962 /nfs/dbraw/zinc/70/29/62/180702962.db2.gz PLLWUOOQVHWNSR-UHFFFAOYSA-N 0 0 320.845 4.505 50 0 DJAARN CCOC(=O)N[C@H]1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000133853 180704259 /nfs/dbraw/zinc/70/42/59/180704259.db2.gz ZGAXFUMSSJKMSP-HNNXBMFYSA-N 0 0 319.813 4.640 50 0 DJAARN Brc1ccc2ncnc(NC3CCCCCC3)c2c1 ZINC000000151609 180709966 /nfs/dbraw/zinc/70/99/66/180709966.db2.gz ZQJQWPHEIAPBGP-UHFFFAOYSA-N 0 0 320.234 4.527 50 0 DJAARN Clc1ccc(-c2ccnc3cc(-c4ccccc4)nn32)cc1 ZINC000000153792 180710413 /nfs/dbraw/zinc/71/04/13/180710413.db2.gz XVVMWRYADWYAGB-UHFFFAOYSA-N 0 0 305.768 4.717 50 0 DJAARN O=C(Nc1csc2ccccc12)Nc1ccc(F)cc1F ZINC000000159370 180711958 /nfs/dbraw/zinc/71/19/58/180711958.db2.gz DBJPIECCCLVZQM-UHFFFAOYSA-N 0 0 304.321 4.824 50 0 DJAARN O=c1oc([C@H](c2ccccc2)C2CCCC2)nc2cccc(F)c12 ZINC000000166424 180712977 /nfs/dbraw/zinc/71/29/77/180712977.db2.gz FXSIAGSKZIFQOI-QGZVFWFLSA-N 0 0 323.367 4.649 50 0 DJAARN O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl ZINC000000220400 180730536 /nfs/dbraw/zinc/73/05/36/180730536.db2.gz SEFZIXGCXAUEFB-UHFFFAOYSA-N 0 0 314.599 4.828 50 0 DJAARN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000000288818 180749032 /nfs/dbraw/zinc/74/90/32/180749032.db2.gz KPLVOLOKTLGJKG-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000292834 180749876 /nfs/dbraw/zinc/74/98/76/180749876.db2.gz PMVVYVDLBPTMTH-CHWSQXEVSA-N 0 0 306.192 4.736 50 0 DJAARN Cc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC000000281572 180746480 /nfs/dbraw/zinc/74/64/80/180746480.db2.gz OXYMQVGPRWTGEZ-LBPRGKRZSA-N 0 0 305.830 4.768 50 0 DJAARN COc1ccc(CC[C@@H](C)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000280443 180746580 /nfs/dbraw/zinc/74/65/80/180746580.db2.gz VDGIHEJEQXETGF-GFCCVEGCSA-N 0 0 307.796 4.921 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000000302143 180752266 /nfs/dbraw/zinc/75/22/66/180752266.db2.gz MUZWQZALZQTMBA-UHFFFAOYSA-N 0 0 304.393 4.785 50 0 in-vivo DJAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1 ZINC000000302098 180752448 /nfs/dbraw/zinc/75/24/48/180752448.db2.gz CVGNKPRZYIRGMH-UHFFFAOYSA-N 0 0 309.409 4.752 50 0 DJAARN C[C@H](CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000000303192 180752882 /nfs/dbraw/zinc/75/28/82/180752882.db2.gz SOMBPPVUIIJLGT-GFCCVEGCSA-N 0 0 318.214 4.581 50 0 DJAARN CSc1cc(C)n(-c2ccccc2C)c(=S)c1C(C)=O ZINC000000344321 180762184 /nfs/dbraw/zinc/76/21/84/180762184.db2.gz ZURLOOZWGXIFIQ-UHFFFAOYSA-N 0 0 303.452 4.748 50 0 DJAARN Cc1nc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc1C ZINC000000375374 180770576 /nfs/dbraw/zinc/77/05/76/180770576.db2.gz BBKBMDZGJJNABD-DHZHZOJOSA-N 0 0 314.454 4.709 50 0 DJAARN COc1ccc2c(c1)SCC1=C2CC[C@@]2(C)C(=O)CCC[C@H]12 ZINC000000384069 180772831 /nfs/dbraw/zinc/77/28/31/180772831.db2.gz QNPGQRGXDQIWKA-VQIMIIECSA-N 0 0 314.450 4.724 50 0 DJAARN c1csc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1 ZINC000000384754 180773335 /nfs/dbraw/zinc/77/33/35/180773335.db2.gz HFILQMLLLHVSOR-UHFFFAOYSA-N 0 0 315.401 4.934 50 0 DJAARN Cc1cc2c(cc1C)[C@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000000356373 180765877 /nfs/dbraw/zinc/76/58/77/180765877.db2.gz ZGEAMHLCJOKIGE-INIZCTEOSA-N 0 0 309.409 4.565 50 0 DJAARN Cc1ccccc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000408581 180779207 /nfs/dbraw/zinc/77/92/07/180779207.db2.gz YFTWAAWKLHHRIB-UHFFFAOYSA-N 0 0 317.388 4.680 50 0 DJAARN c1ccc(Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000000411666 180779728 /nfs/dbraw/zinc/77/97/28/180779728.db2.gz MWBNUFKUFGQVQQ-UHFFFAOYSA-N 0 0 311.388 4.660 50 0 DJAARN COc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000000398192 180776885 /nfs/dbraw/zinc/77/68/85/180776885.db2.gz JPEGMEHZZCJAPV-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN O=C(Oc1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000000433510 180789700 /nfs/dbraw/zinc/78/97/00/180789700.db2.gz GPNGVDSSMWYIIJ-UHFFFAOYSA-N 0 0 306.745 4.913 50 0 DJAARN O=C(CCC1CCCC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000433096 180789781 /nfs/dbraw/zinc/78/97/81/180789781.db2.gz MPYZRMNHXQLQCA-UHFFFAOYSA-N 0 0 318.417 4.858 50 0 DJAARN Cc1ccc(Oc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000000447344 180793917 /nfs/dbraw/zinc/79/39/17/180793917.db2.gz IMLOPYNZABNXEH-UHFFFAOYSA-N 0 0 313.360 4.793 50 0 DJAARN Cc1nc(NC(=O)c2sc3ccccc3c2Cl)sc1C ZINC000000449886 180795147 /nfs/dbraw/zinc/79/51/47/180795147.db2.gz KPKNZKORGAJYIA-UHFFFAOYSA-N 0 0 322.842 4.880 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)CSCc1ccccc1 ZINC000000454526 180796098 /nfs/dbraw/zinc/79/60/98/180796098.db2.gz YXMKVIIMIOPCBO-UHFFFAOYSA-N 0 0 305.830 4.520 50 0 DJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000000474381 180802615 /nfs/dbraw/zinc/80/26/15/180802615.db2.gz RDQYXGPBZJKNQJ-LJQANCHMSA-N 0 0 305.377 4.636 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1Cl ZINC000000476075 180803257 /nfs/dbraw/zinc/80/32/57/180803257.db2.gz LKOSYOJGUSQPEX-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN Clc1ccc(CSc2ccc(Cl)nn2)c(Cl)c1 ZINC000000480212 180804107 /nfs/dbraw/zinc/80/41/07/180804107.db2.gz JLCCEYPKAXJGTJ-UHFFFAOYSA-N 0 0 305.617 4.729 50 0 DJAARN O=C(Nc1ccccc1)[C@@H]1CCCCCCCCCCC1=O ZINC000000481710 180804676 /nfs/dbraw/zinc/80/46/76/180804676.db2.gz DYYACTDVIFENGZ-QGZVFWFLSA-N 0 0 301.430 4.725 50 0 DJAARN CC(C)Oc1ccc([C@@H](CC(=O)N2CCCCC2)C(C)C)cc1 ZINC000000488421 180805803 /nfs/dbraw/zinc/80/58/03/180805803.db2.gz WXLJHPWRAQERJU-IBGZPJMESA-N 0 0 317.473 4.616 50 0 biogenic DJAARN Cc1nc2ccccc2nc1OCc1ccc(Cl)cc1Cl ZINC000000531073 180815011 /nfs/dbraw/zinc/81/50/11/180815011.db2.gz CXHMSMGPWKJZIH-UHFFFAOYSA-N 0 0 319.191 4.824 50 0 DJAARN CCC[C@H]1C[C@@H](C)C(=O)N2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000000517850 180811003 /nfs/dbraw/zinc/81/10/03/180811003.db2.gz AMKZPZBZAJMOGE-LRAJWGHMSA-N 0 0 324.468 4.614 50 0 biogenic DJAARN Cc1nc2sc3c(c2c(Nc2cccc(F)c2)n1)CCCC3 ZINC000000520281 180811527 /nfs/dbraw/zinc/81/15/27/180811527.db2.gz IDZMLBKSQPWHHJ-UHFFFAOYSA-N 0 0 313.401 4.761 50 0 DJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2cccnc21 ZINC000000556567 180820900 /nfs/dbraw/zinc/82/09/00/180820900.db2.gz WTNMIBKTIJIVQG-DHZHZOJOSA-N 0 0 308.768 4.540 50 0 DJAARN CCC(C)(C)c1ccc(OCC(=O)N(C)C)c(C(C)(C)CC)c1 ZINC000000608451 180827184 /nfs/dbraw/zinc/82/71/84/180827184.db2.gz ZRCGDAUKDHFYKK-UHFFFAOYSA-N 0 0 319.489 4.529 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)ccc1C ZINC000000609025 180827327 /nfs/dbraw/zinc/82/73/27/180827327.db2.gz QSTMBRJCZVHVOI-UHFFFAOYSA-N 0 0 303.789 4.526 50 0 DJAARN Cc1ccccc1Cn1c2ccccc2nc1-c1cncs1 ZINC000000794854 180832993 /nfs/dbraw/zinc/83/29/93/180832993.db2.gz ZBXKGWCRJZOIMC-UHFFFAOYSA-N 0 0 305.406 4.517 50 0 DJAARN Fc1ccccc1NC(=S)Nc1cc(Cl)ccc1Cl ZINC000000619707 180830862 /nfs/dbraw/zinc/83/08/62/180830862.db2.gz YJEZGXUURSFGCK-UHFFFAOYSA-N 0 0 315.200 4.941 50 0 DJAARN CC(C)c1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1 ZINC000001056909 180843913 /nfs/dbraw/zinc/84/39/13/180843913.db2.gz BRZHEIGYEHKARZ-UHFFFAOYSA-N 0 0 314.768 4.942 50 0 DJAARN CCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1 ZINC000000882047 180836671 /nfs/dbraw/zinc/83/66/71/180836671.db2.gz RPWBRQIFHQKYLT-UHFFFAOYSA-N 0 0 314.435 4.538 50 0 DJAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(C)c1 ZINC000000949545 180838110 /nfs/dbraw/zinc/83/81/10/180838110.db2.gz PJXPSUNQPRGGAU-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN O=C(NC1CCCCC1)c1cc(-c2ccco2)nc2ccccc21 ZINC000000997968 180839815 /nfs/dbraw/zinc/83/98/15/180839815.db2.gz DGUFGGNSBQXPCI-UHFFFAOYSA-N 0 0 320.392 4.557 50 0 DJAARN CCN(CC)C(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000000995086 180840131 /nfs/dbraw/zinc/84/01/31/180840131.db2.gz IBJCRVZONTZXNC-UHFFFAOYSA-N 0 0 324.449 4.754 50 0 DJAARN Brc1ccc(-c2noc(CC3CCCCC3)n2)cc1 ZINC000001061854 180844547 /nfs/dbraw/zinc/84/45/47/180844547.db2.gz GWXDFYNGLOAFPK-UHFFFAOYSA-N 0 0 321.218 4.622 50 0 DJAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000001069147 180845052 /nfs/dbraw/zinc/84/50/52/180845052.db2.gz KQIFBMDTKZJCEK-UHFFFAOYSA-N 0 0 321.807 4.859 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c(C)c1 ZINC000001109543 180847453 /nfs/dbraw/zinc/84/74/53/180847453.db2.gz BDYXQFHGDQSUPF-UHFFFAOYSA-N 0 0 301.389 4.808 50 0 DJAARN O=C(C[C@H](c1ccccc1)[C@@H]1CCCCC1=O)c1ccccc1 ZINC000001232013 180850548 /nfs/dbraw/zinc/85/05/48/180850548.db2.gz BHWABVQSIIDAON-RBUKOAKNSA-N 0 0 306.405 4.803 50 0 DJAARN Fc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1 ZINC000001399532 180861250 /nfs/dbraw/zinc/86/12/50/180861250.db2.gz LHUTUFIEQFAVFB-UHFFFAOYSA-N 0 0 314.669 4.813 50 0 DJAARN CC[C@@H](C)Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000001400359 180861411 /nfs/dbraw/zinc/86/14/11/180861411.db2.gz ZDGASVMCFAARLE-LLVKDONJSA-N 0 0 320.845 4.878 50 0 DJAARN Cc1cccn2cc(COc3ccc(-c4ccccc4)cc3)nc12 ZINC000001448926 180867534 /nfs/dbraw/zinc/86/75/34/180867534.db2.gz VWKSSDHHKFBLKY-UHFFFAOYSA-N 0 0 314.388 4.889 50 0 DJAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000001457124 180868133 /nfs/dbraw/zinc/86/81/33/180868133.db2.gz WODXKSDTNDMQFC-HNNXBMFYSA-N 0 0 321.420 4.599 50 0 DJAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000001426262 180864941 /nfs/dbraw/zinc/86/49/41/180864941.db2.gz HBPNJAARCGKUAJ-JTQLQIEISA-N 0 0 306.192 4.585 50 0 DJAARN O=C(C[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001688357 180888262 /nfs/dbraw/zinc/88/82/62/180888262.db2.gz UDJIUKWJBHQMBG-FQEVSTJZSA-N 0 0 314.384 4.926 50 0 DJAARN Cc1[nH]c2c(cccc2NC(=O)Nc2ccc(F)cc2F)c1C ZINC000001742869 180893692 /nfs/dbraw/zinc/89/36/92/180893692.db2.gz WGEBSGYDPWREAI-UHFFFAOYSA-N 0 0 315.323 4.707 50 0 DJAARN CCCCCCC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 ZINC000001750921 180893994 /nfs/dbraw/zinc/89/39/94/180893994.db2.gz KFGIRDIGECDOTJ-UHFFFAOYSA-N 0 0 316.470 4.951 50 0 DJAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(CC)cc2)cc1 ZINC000001777910 180895717 /nfs/dbraw/zinc/89/57/17/180895717.db2.gz JEOLMESLOXVZIN-NTEUORMPSA-N 0 0 309.409 4.690 50 0 DJAARN Cc1ccc(C)c(NC(=O)Oc2cccc(C(F)(F)F)c2)c1 ZINC000002173654 180914282 /nfs/dbraw/zinc/91/42/82/180914282.db2.gz KIMOJLFDWJFQHK-UHFFFAOYSA-N 0 0 309.287 4.933 50 0 DJAARN CCCc1cc(NCC(C)C)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002203327 180915065 /nfs/dbraw/zinc/91/50/65/180915065.db2.gz RBBSXHDESBUISC-UHFFFAOYSA-N 0 0 322.456 4.725 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)CCCC(C)C ZINC000002458959 180925318 /nfs/dbraw/zinc/92/53/18/180925318.db2.gz BBFVYIHLOUCXHC-CQSZACIVSA-N 0 0 314.429 4.595 50 0 DJAARN O=C(CCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000002516761 180930645 /nfs/dbraw/zinc/93/06/45/180930645.db2.gz IKJGYCWLGDZAJO-UHFFFAOYSA-N 0 0 323.617 4.918 50 0 DJAARN Cc1cc(C)c(NC(=O)c2cnc(Cl)c(Cl)c2)c(C)c1 ZINC000002617922 180939501 /nfs/dbraw/zinc/93/95/01/180939501.db2.gz QQUFIKFUNDVURF-UHFFFAOYSA-N 0 0 309.196 4.566 50 0 DJAARN CCCCCn1c(COc2ccc(OC)cc2)nc2ccccc21 ZINC000002689201 180946741 /nfs/dbraw/zinc/94/67/41/180946741.db2.gz NHFBOJIQBQFQOP-UHFFFAOYSA-N 0 0 324.424 4.814 50 0 DJAARN COC(=O)Nc1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000002695639 180947559 /nfs/dbraw/zinc/94/75/59/180947559.db2.gz HMYNXLBKOIHKPH-UHFFFAOYSA-N 0 0 310.378 4.655 50 0 DJAARN CCCOc1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000002838876 180962785 /nfs/dbraw/zinc/96/27/85/180962785.db2.gz POZLFUGRZDLODV-UHFFFAOYSA-N 0 0 304.777 4.773 50 0 DJAARN Cc1cc(OC/C=C/c2ccccc2)c2c(C)cc(=O)oc2c1 ZINC000002841566 180963052 /nfs/dbraw/zinc/96/30/52/180963052.db2.gz WSXWGJWCZLVEKY-RMKNXTFCSA-N 0 0 306.361 4.502 50 0 biogenic DJAARN Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(Cl)c1 ZINC000002928364 180971016 /nfs/dbraw/zinc/97/10/16/180971016.db2.gz JJNFSBDYURIGRJ-UHFFFAOYSA-N 0 0 324.811 4.620 50 0 DJAARN CCCOc1ccc(CNc2cccc(Cl)c2)cc1OC ZINC000002866393 180964640 /nfs/dbraw/zinc/96/46/40/180964640.db2.gz AOJFKYFZJUDWTQ-UHFFFAOYSA-N 0 0 305.805 4.750 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCCOc1ccccc1Cl ZINC000002880405 180966972 /nfs/dbraw/zinc/96/69/72/180966972.db2.gz HJDKLFGKGSQQNC-UHFFFAOYSA-N 0 0 306.837 4.862 50 0 DJAARN CCC[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002881180 180967271 /nfs/dbraw/zinc/96/72/71/180967271.db2.gz HTQOOFJVTGBYOO-ZDUSSCGKSA-N 0 0 308.381 4.870 50 0 DJAARN CCOc1cccc(OCCCOc2ccc(C)c(C)c2)c1 ZINC000002984933 180974344 /nfs/dbraw/zinc/97/43/44/180974344.db2.gz GXAITWZKFOISJI-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN COc1ccccc1OCCn1c2ccccc2c2ccccc21 ZINC000002989276 180974658 /nfs/dbraw/zinc/97/46/58/180974658.db2.gz DGKMBWQFRCIVCM-UHFFFAOYSA-N 0 0 317.388 4.882 50 0 DJAARN Cc1ccc(NC(=O)CCSc2ccccc2)cc1Cl ZINC000003066219 180979249 /nfs/dbraw/zinc/97/92/49/180979249.db2.gz WHUSTZMUERBPLZ-UHFFFAOYSA-N 0 0 305.830 4.769 50 0 DJAARN Cc1cc2c(Br)cc1CCc1ccc(cc1)CC2 ZINC000003136921 180984769 /nfs/dbraw/zinc/98/47/69/180984769.db2.gz VATIKLRLZJEWRQ-UHFFFAOYSA-N 0 0 301.227 4.641 50 0 DJAARN Cc1cc2c(cc1C1(C)OCCO1)C(C)(C)C[C@@H](C)C2(C)C ZINC000003122383 180982670 /nfs/dbraw/zinc/98/26/70/180982670.db2.gz LKLZCRMFMRABGI-CQSZACIVSA-N 0 0 302.458 4.810 50 0 DJAARN O=C(c1ccc(Cl)cc1Cl)N1CC[C@H]2CCCC[C@H]2C1 ZINC000003165486 180988333 /nfs/dbraw/zinc/98/83/33/180988333.db2.gz VCBYRNHGLCVBDQ-NEPJUHHUSA-N 0 0 312.240 4.646 50 0 DJAARN Cc1ccc(OC(=O)Cc2c(Cl)cccc2Cl)cc1C ZINC000003247712 180996457 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c1ccc(C2=NN(c3ccccc3)[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000004146899 181079084 /nfs/dbraw/zinc/07/90/84/181079084.db2.gz BMPYNJMSUJGDCT-IFMALSPDSA-N 0 0 310.400 4.825 50 0 DJAARN Clc1ccc([C@@H]2CN(c3ccccc3)N=C2c2ccco2)cc1 ZINC000004159639 181079849 /nfs/dbraw/zinc/07/98/49/181079849.db2.gz KATOJPZTWJQAEX-KRWDZBQOSA-N 0 0 322.795 4.941 50 0 DJAARN O=C(NCc1cccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004187715 181083378 /nfs/dbraw/zinc/08/33/78/181083378.db2.gz WURJNPARHWUNFY-UHFFFAOYSA-N 0 0 319.448 4.672 50 0 DJAARN Cc1nc2ccccc2c(SCc2nc3ccccc3s2)n1 ZINC000004221277 181086342 /nfs/dbraw/zinc/08/63/42/181086342.db2.gz OIMHVNLUPCJWTD-UHFFFAOYSA-N 0 0 323.446 4.840 50 0 DJAARN Cc1cc(C)cc(NC(=O)CSc2c[nH]c3ccccc23)c1 ZINC000004224510 181086529 /nfs/dbraw/zinc/08/65/29/181086529.db2.gz PULRLYMNWGTYHQ-UHFFFAOYSA-N 0 0 310.422 4.516 50 0 DJAARN O=C(C[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000004280891 181092104 /nfs/dbraw/zinc/09/21/04/181092104.db2.gz FBSAPBMBVZHFQT-IBGZPJMESA-N 0 0 302.373 4.797 50 0 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CCC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000004590429 181127855 /nfs/dbraw/zinc/12/78/55/181127855.db2.gz JOGSKZORFWLAKX-UHFFFAOYSA-N 0 0 322.191 4.838 50 0 DJAARN CC(=C\c1ccccc1)/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000004589231 181128104 /nfs/dbraw/zinc/12/81/04/181128104.db2.gz ASJOPDQTNGBJDF-YMGXUNRSSA-N 0 0 323.779 4.631 50 0 DJAARN c1ccc(-c2noc(C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000004672951 181134746 /nfs/dbraw/zinc/13/47/46/181134746.db2.gz HORYKMYVSVOEJX-UHFFFAOYSA-N 0 0 312.372 4.917 50 0 DJAARN CC(C)(C)c1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)no1 ZINC000004651018 181132293 /nfs/dbraw/zinc/13/22/93/181132293.db2.gz IMZOJSUPJHCJQX-UHFFFAOYSA-N 0 0 316.445 4.517 50 0 DJAARN COc1cc(C)ccc1OCCOc1ccc2ccccc2c1 ZINC000004702093 181139501 /nfs/dbraw/zinc/13/95/01/181139501.db2.gz IKQGZXDBAHUSDG-UHFFFAOYSA-N 0 0 308.377 4.615 50 0 DJAARN Cc1cc2ccccc2n1Cc1nnc(-c2ccccc2)s1 ZINC000004702608 181139718 /nfs/dbraw/zinc/13/97/18/181139718.db2.gz TVHXAVAOIAVVLA-UHFFFAOYSA-N 0 0 305.406 4.517 50 0 DJAARN O=C1c2ccccc2[C@H](O)N1C1CCCCCCCCCCC1 ZINC000004675054 181135224 /nfs/dbraw/zinc/13/52/24/181135224.db2.gz WBQWKYAGDZTPPS-IBGZPJMESA-N 0 0 315.457 4.807 50 0 DJAARN O=C(Nc1ccccc1C1CC1)c1ccc(Br)cc1 ZINC000004676208 181135387 /nfs/dbraw/zinc/13/53/87/181135387.db2.gz QPYOKVRXERCBQO-UHFFFAOYSA-N 0 0 316.198 4.579 50 0 DJAARN CCCCCCNC(=S)Nc1ccc(Cl)cc1Cl ZINC000004675830 181135481 /nfs/dbraw/zinc/13/54/81/181135481.db2.gz RGSRPXQAWUKHSI-UHFFFAOYSA-N 0 0 305.274 4.860 50 0 DJAARN Cc1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1C ZINC000004682377 181136519 /nfs/dbraw/zinc/13/65/19/181136519.db2.gz MOUOIHJXQDAVDD-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004690858 181136982 /nfs/dbraw/zinc/13/69/82/181136982.db2.gz LMBOCAMGMCATGG-UHFFFAOYSA-N 0 0 321.807 4.937 50 0 DJAARN CC[C@@H](C(=O)Nc1cc(C)c(Cl)cc1OC)c1ccccc1 ZINC000004691559 181137727 /nfs/dbraw/zinc/13/77/27/181137727.db2.gz BFSTZIBGFZRJBB-CQSZACIVSA-N 0 0 317.816 4.789 50 0 DJAARN 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Nc1ccccc1/N=c1\cc(-c2cccs2)oc2ccccc21 ZINC000005483094 181248552 /nfs/dbraw/zinc/24/85/52/181248552.db2.gz AGJFGLKPAZMITC-LTGZKZEYSA-N 0 0 318.401 4.976 50 0 DJAARN CC(C)=CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000005685837 181271866 /nfs/dbraw/zinc/27/18/66/181271866.db2.gz UFHTWYBCQOXFLD-UHFFFAOYSA-N 0 0 322.360 4.511 50 0 biogenic DJAARN Cc1cccc(N=C2NN=C(c3cc4ccccc4o3)CS2)c1 ZINC000005688878 181272874 /nfs/dbraw/zinc/27/28/74/181272874.db2.gz ZKBFNQILMFAFGJ-UHFFFAOYSA-N 0 0 321.405 4.660 50 0 DJAARN COC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000005719957 181276526 /nfs/dbraw/zinc/27/65/26/181276526.db2.gz CPTUUKUIRFJYGR-UHFFFAOYSA-N 0 0 313.356 4.842 50 0 DJAARN Cc1cc(C)c(NC(=O)COc2c(C)cccc2C)c(Cl)c1 ZINC000005815634 181286192 /nfs/dbraw/zinc/28/61/92/181286192.db2.gz YOFJSUYGWVTGIT-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN CC(C)c1ccc(/C=C\C(=O)NCCCc2ccccc2)cc1 ZINC000005825670 181286928 /nfs/dbraw/zinc/28/69/28/181286928.db2.gz ZMSCBMLCAQFCJT-QINSGFPZSA-N 0 0 307.437 4.572 50 0 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BOQXDJPFSLVUJW-CQSZACIVSA-N 0 0 304.390 4.565 50 0 DJAARN O=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)c1ccco1 ZINC000015868503 182023324 /nfs/dbraw/zinc/02/33/24/182023324.db2.gz FHGUKNIVLRHSRJ-UHFFFAOYSA-N 0 0 314.344 4.747 50 0 DJAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1 ZINC000015934676 182025473 /nfs/dbraw/zinc/02/54/73/182025473.db2.gz ZWVXBCQWZYQABR-UHFFFAOYSA-N 0 0 319.379 4.981 50 0 DJAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000016303312 182039763 /nfs/dbraw/zinc/03/97/63/182039763.db2.gz QOMGIXVWKMTGDT-BXUZGUMPSA-N 0 0 301.773 4.727 50 0 DJAARN CCc1ccccc1NC(=O)CSc1ccccc1Cl ZINC000016481700 182046527 /nfs/dbraw/zinc/04/65/27/182046527.db2.gz PCJMVOYGBRVWEK-UHFFFAOYSA-N 0 0 305.830 4.633 50 0 DJAARN COc1ccccc1[C@H]1Nc2ccc(C)cc2[C@H]2OCCC[C@@H]12 ZINC000016649139 182056126 /nfs/dbraw/zinc/05/61/26/182056126.db2.gz HLNMUQIEQVLAPK-BEVDRBHNSA-N 0 0 309.409 4.638 50 0 DJAARN Cc1cccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(C)c2)c1 ZINC000016689858 182057235 /nfs/dbraw/zinc/05/72/35/182057235.db2.gz FDNOKDOQENNIHM-UHFFFAOYSA-N 0 0 321.424 4.843 50 0 DJAARN Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2)c1 ZINC000016689857 182057291 /nfs/dbraw/zinc/05/72/91/182057291.db2.gz KIQIDFCVVSZYFW-UHFFFAOYSA-N 0 0 307.397 4.534 50 0 DJAARN O=C(Nc1nc(C2CC2)cs1)c1cc2c(s1)CCCCC2 ZINC000017054747 182072668 /nfs/dbraw/zinc/07/26/68/182072668.db2.gz NBSUCEZCBBFVGG-UHFFFAOYSA-N 0 0 318.467 4.603 50 0 DJAARN CC[C@@H](NC(=O)/C=C\c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000017056617 182074207 /nfs/dbraw/zinc/07/42/07/182074207.db2.gz XKWVWWPOYHTGQY-NLBZTSMMSA-N 0 0 323.436 4.755 50 0 DJAARN COc1ccc(Nc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)cc1 ZINC000017593433 182084644 /nfs/dbraw/zinc/08/46/44/182084644.db2.gz IUYOQBYWIZPNKF-OAHLLOKOSA-N 0 0 322.408 4.734 50 0 DJAARN COc1ccc(-c2c/c(=N/C(C)C)c3cc(C)ccc3o2)cc1 ZINC000017994185 182089065 /nfs/dbraw/zinc/08/90/65/182089065.db2.gz CCYICRLIWPUGJY-UZYVYHOESA-N 0 0 307.393 4.726 50 0 DJAARN O=C(Nc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000018173351 182095821 /nfs/dbraw/zinc/09/58/21/182095821.db2.gz DBSQYUVBRFMZRO-HNNXBMFYSA-N 0 0 323.421 4.665 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1F ZINC000018177793 182097044 /nfs/dbraw/zinc/09/70/44/182097044.db2.gz CKVYWVXZYXJKTK-UHFFFAOYSA-N 0 0 316.229 4.628 50 0 DJAARN CCOCCOc1ccc(CNc2cccc3ccccc32)cc1 ZINC000019737462 182140892 /nfs/dbraw/zinc/14/08/92/182140892.db2.gz MBVOEONWWIZGSQ-UHFFFAOYSA-N 0 0 321.420 4.867 50 0 DJAARN COc1ccc(O[C@@H](C)CNc2cc(Cl)ccc2C)cc1 ZINC000019738079 182141266 /nfs/dbraw/zinc/14/12/66/182141266.db2.gz LWTAUIROXFVCDL-ZDUSSCGKSA-N 0 0 305.805 4.536 50 0 DJAARN CC[C@@H](CNc1ccc(OC)c(Cl)c1)Oc1ccccc1C ZINC000019738096 182141413 /nfs/dbraw/zinc/14/14/13/182141413.db2.gz WIHOPVMYHSBYEM-HNNXBMFYSA-N 0 0 319.832 4.927 50 0 DJAARN CC(C)Nc1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000019797147 182150787 /nfs/dbraw/zinc/15/07/87/182150787.db2.gz IONBLLNZYJIEPC-UHFFFAOYSA-N 0 0 303.818 4.832 50 0 DJAARN CC(C)(C)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019908612 182163078 /nfs/dbraw/zinc/16/30/78/182163078.db2.gz NDCVUPMVVPXYRO-IEBWSBKVSA-N 0 0 306.409 4.602 50 0 DJAARN CCCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000019912180 182163656 /nfs/dbraw/zinc/16/36/56/182163656.db2.gz RVHYOZVVVRVWEE-UYAOXDASSA-N 0 0 324.399 4.886 50 0 DJAARN CC(C)c1ccc(N2C(=O)[C@@H](C)S[C@H]2c2ccccc2)cc1 ZINC000019927708 182166133 /nfs/dbraw/zinc/16/61/33/182166133.db2.gz YKEKPSMUOZIKRH-KUHUBIRLSA-N 0 0 311.450 4.977 50 0 DJAARN Cc1cc(=O)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000020031619 182181592 /nfs/dbraw/zinc/18/15/92/182181592.db2.gz YIHDWCRPPIBTLI-UHFFFAOYSA-N 0 0 318.203 4.665 50 0 DJAARN CCc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000020192188 182196056 /nfs/dbraw/zinc/19/60/56/182196056.db2.gz ATEFCXYJBBMPNJ-CQSZACIVSA-N 0 0 308.425 4.620 50 0 DJAARN FC(F)(F)c1cccc(Oc2ccc(Br)cc2)n1 ZINC000020358029 182211173 /nfs/dbraw/zinc/21/11/73/182211173.db2.gz NXNINSYTRHJREQ-UHFFFAOYSA-N 0 0 318.092 4.655 50 0 DJAARN Cc1ccc(C)c([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000020356975 182211177 /nfs/dbraw/zinc/21/11/77/182211177.db2.gz MYDBOKZNQPIWQG-OAHLLOKOSA-N 0 0 308.425 4.675 50 0 DJAARN FC(F)(F)[C@@H]1C[C@H](c2ccc3ccccc3c2)Nc2ccnn21 ZINC000020616569 182239239 /nfs/dbraw/zinc/23/92/39/182239239.db2.gz IWVIZPHXPANUGW-CABCVRRESA-N 0 0 317.314 4.697 50 0 DJAARN FC(F)(F)[C@H]1C[C@H](c2ccc3ccccc3c2)Nc2ccnn21 ZINC000020616570 182239276 /nfs/dbraw/zinc/23/92/76/182239276.db2.gz IWVIZPHXPANUGW-HUUCEWRRSA-N 0 0 317.314 4.697 50 0 DJAARN Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(F)F)c12 ZINC000020604274 182237267 /nfs/dbraw/zinc/23/72/67/182237267.db2.gz CJVKDAMJWKGPBP-UHFFFAOYSA-N 0 0 317.314 4.683 50 0 DJAARN Fc1ccc(CN(C2=NCCS2)c2ccccc2)c(Cl)c1 ZINC000020902022 182253040 /nfs/dbraw/zinc/25/30/40/182253040.db2.gz NNCQKLREPRRTQZ-UHFFFAOYSA-N 0 0 320.820 4.589 50 0 DJAARN Cc1cccc([C@H](CC(=O)Nc2ccccc2F)n2cccc2)c1 ZINC000020998960 182258986 /nfs/dbraw/zinc/25/89/86/182258986.db2.gz NNLPFSIVOLEBGH-IBGZPJMESA-N 0 0 322.383 4.554 50 0 DJAARN Cc1ccc(NC(=O)C[C@@H](c2ccccc2C)n2cccc2)cc1 ZINC000020998793 182259073 /nfs/dbraw/zinc/25/90/73/182259073.db2.gz DSBPEJIKAFZDIU-FQEVSTJZSA-N 0 0 318.420 4.723 50 0 DJAARN CC(C)c1ccc(CC(=O)Nc2ccc3scnc3c2)cc1 ZINC000021000977 182259125 /nfs/dbraw/zinc/25/91/25/182259125.db2.gz WNCSOQQULAIKAS-UHFFFAOYSA-N 0 0 310.422 4.601 50 0 DJAARN CCCc1cc([C@H]2CCCN2Cc2cccc(Cl)c2)no1 ZINC000021720254 182285837 /nfs/dbraw/zinc/28/58/37/182285837.db2.gz BYPGGSLZLDUEML-QGZVFWFLSA-N 0 0 304.821 4.618 50 0 DJAARN CC(C)c1cc([C@H]2CCCN2Cc2ccc(Cl)cc2)no1 ZINC000021720662 182286104 /nfs/dbraw/zinc/28/61/04/182286104.db2.gz PKRFOJZGAUOTCJ-MRXNPFEDSA-N 0 0 304.821 4.789 50 0 DJAARN CCCc1cc([C@H]2CCCN2Cc2ccc(Cl)cc2)no1 ZINC000021720666 182286301 /nfs/dbraw/zinc/28/63/01/182286301.db2.gz RULBCZOMVPYUCN-QGZVFWFLSA-N 0 0 304.821 4.618 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2Cc3cccn3-c3ccccc32)c1 ZINC000021533939 182279071 /nfs/dbraw/zinc/27/90/71/182279071.db2.gz TYINYCPNNPZZSM-UHFFFAOYSA-N 0 0 317.392 4.646 50 0 DJAARN O=C(Nc1ccccc1F)c1cc(C2CC2)nc2ccccc21 ZINC000021555549 182279779 /nfs/dbraw/zinc/27/97/79/182279779.db2.gz HRKMDQVVPSVGMT-UHFFFAOYSA-N 0 0 306.340 4.504 50 0 DJAARN CCOC(=O)c1cnc(Nc2cccc(CC)c2)c2ccccc12 ZINC000021650175 182281937 /nfs/dbraw/zinc/28/19/37/182281937.db2.gz XGPMPCBDNKVSGG-UHFFFAOYSA-N 0 0 320.392 4.718 50 0 DJAARN CC[C@@H](C)Nc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000021642953 182282060 /nfs/dbraw/zinc/28/20/60/182282060.db2.gz YDEOVWMIAQPBPX-SNVBAGLBSA-N 0 0 301.390 4.708 50 0 DJAARN COc1cc(Cl)ccc1Oc1ncnc2sc(C)c(C)c21 ZINC000021641550 182282087 /nfs/dbraw/zinc/28/20/87/182282087.db2.gz IOFUVHZHWPICSO-UHFFFAOYSA-N 0 0 320.801 4.762 50 0 DJAARN Fc1ccc(-c2csc3ncnc(NC4CCCC4)c23)cc1 ZINC000021643059 182282186 /nfs/dbraw/zinc/28/21/86/182282186.db2.gz YEOJDLAZOSNBLK-UHFFFAOYSA-N 0 0 313.401 4.852 50 0 DJAARN CCOC(=O)c1cnc(NC2CCCCCC2)c2ccccc12 ZINC000021650134 182282399 /nfs/dbraw/zinc/28/23/99/182282399.db2.gz PCCAJGFXMHAKBJ-UHFFFAOYSA-N 0 0 312.413 4.546 50 0 DJAARN Cc1ccc(O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1C ZINC000021658848 182282640 /nfs/dbraw/zinc/28/26/40/182282640.db2.gz CLUKWBHUHMMCIW-GFCCVEGCSA-N 0 0 300.789 4.973 50 0 DJAARN CCOC(=O)c1cnc(Nc2ccc(C)cc2C)c2ccccc12 ZINC000021650237 182282676 /nfs/dbraw/zinc/28/26/76/182282676.db2.gz LPUSOULRZAEVHN-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN Cc1ccccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000021669264 182283300 /nfs/dbraw/zinc/28/33/00/182283300.db2.gz MOBPCXNYTQNBPC-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN O=C(Nc1ccccc1F)c1ccccc1COc1ccccc1 ZINC000021706798 182284311 /nfs/dbraw/zinc/28/43/11/182284311.db2.gz HZGXWNUZMYLGTE-UHFFFAOYSA-N 0 0 321.351 4.657 50 0 DJAARN C[C@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000021707143 182284343 /nfs/dbraw/zinc/28/43/43/182284343.db2.gz SLCAOMPYKGDFKT-RYUDHWBXSA-N 0 0 301.773 4.727 50 0 DJAARN O=c1c2c(-c3ccccc3)csc2ncn1C1CCCCC1 ZINC000021790169 182288846 /nfs/dbraw/zinc/28/88/46/182288846.db2.gz YPWLHMMYBSJNGI-UHFFFAOYSA-N 0 0 310.422 4.630 50 0 DJAARN C[C@H]1CC(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2N1 ZINC000021793469 182290139 /nfs/dbraw/zinc/29/01/39/182290139.db2.gz VOBWWXZMPLMYIR-HNNXBMFYSA-N 0 0 322.452 4.721 50 0 DJAARN O=C(NCCSCc1ccccc1)c1cccc2ccccc21 ZINC000021930847 182299230 /nfs/dbraw/zinc/29/92/30/182299230.db2.gz PAHIFCOLSGLMIS-UHFFFAOYSA-N 0 0 321.445 4.503 50 0 DJAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(C)=O ZINC000022319109 182317798 /nfs/dbraw/zinc/31/77/98/182317798.db2.gz XSWZBGKYOVAPKT-LBPRGKRZSA-N 0 0 323.458 4.733 50 0 DJAARN CCCCCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022329278 182318268 /nfs/dbraw/zinc/31/82/68/182318268.db2.gz KEYDDISIJDLGBQ-UHFFFAOYSA-N 0 0 314.429 4.559 50 0 DJAARN C[C@]1(C(=O)Nc2cccc(Cl)c2Cl)CC1(Cl)Cl ZINC000022189763 182313029 /nfs/dbraw/zinc/31/30/29/182313029.db2.gz TWTYJNGSMSFUSZ-SNVBAGLBSA-N 0 0 313.011 4.516 50 0 DJAARN COc1cccc(-c2nc3cc(C(C)(C)C)ccc3o2)c1OC ZINC000022648732 182329613 /nfs/dbraw/zinc/32/96/13/182329613.db2.gz MDJRXRHZLWABGC-UHFFFAOYSA-N 0 0 311.381 4.810 50 0 biogenic DJAARN COc1cc(OC)cc(-c2nc3cc(C(C)(C)C)ccc3o2)c1 ZINC000022645875 182329636 /nfs/dbraw/zinc/32/96/36/182329636.db2.gz OEEBMGOELNFCOW-UHFFFAOYSA-N 0 0 311.381 4.810 50 0 DJAARN C[C@H](NC(=O)c1cc(-c2ccc3ccccc3c2)on1)C(C)(C)C ZINC000022638138 182329666 /nfs/dbraw/zinc/32/96/66/182329666.db2.gz HDYPIBNTVJIQPU-ZDUSSCGKSA-N 0 0 322.408 4.659 50 0 DJAARN COc1ccccc1NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000023016003 182345111 /nfs/dbraw/zinc/34/51/11/182345111.db2.gz JBWWQALPAUSTIO-ZDUSSCGKSA-N 0 0 324.380 4.666 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccoc1 ZINC000023010660 182345148 /nfs/dbraw/zinc/34/51/48/182345148.db2.gz BOWSNXBOMNBLOF-UHFFFAOYSA-N 0 0 313.740 4.978 50 0 DJAARN COc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1O ZINC000023055087 182345993 /nfs/dbraw/zinc/34/59/93/182345993.db2.gz BALIWMQSDZLLMT-FARCUNLSSA-N 0 0 311.768 4.773 50 0 DJAARN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000023547650 182363234 /nfs/dbraw/zinc/36/32/34/182363234.db2.gz UZLLGPYJRNKBTF-XJKSGUPXSA-N 0 0 317.379 4.726 50 0 DJAARN Cc1sc(Nc2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000023625474 182364599 /nfs/dbraw/zinc/36/45/99/182364599.db2.gz LCIUZXSASQZSKE-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN CCc1cc2c(ncnc2Oc2ccc(F)cc2Cl)s1 ZINC000024057180 182374260 /nfs/dbraw/zinc/37/42/60/182374260.db2.gz PXLPXDUDBYDTLC-UHFFFAOYSA-N 0 0 308.765 4.839 50 0 DJAARN CC[C@H]1CCc2sc(-c3nnc(-c4ccco4)o3)cc2C1 ZINC000024773528 182390466 /nfs/dbraw/zinc/39/04/66/182390466.db2.gz ARWDIFARDPNMEY-JTQLQIEISA-N 0 0 300.383 4.573 50 0 DJAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCc2ccccc21 ZINC000024833834 182391996 /nfs/dbraw/zinc/39/19/96/182391996.db2.gz GWPPJVFJUBCOMA-HXUWFJFHSA-N 0 0 301.389 4.898 50 0 DJAARN O=C(c1ccccc1)c1ccc2[nH]c(-c3cccs3)nc2c1 ZINC000098073312 193781778 /nfs/dbraw/zinc/78/17/78/193781778.db2.gz FKPRBNDYLCBHAM-UHFFFAOYSA-N 0 0 304.374 4.522 50 0 DJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(C)Cc1ccccc1 ZINC000027663349 182486271 /nfs/dbraw/zinc/48/62/71/182486271.db2.gz DJTNWTTXPSMSLF-UHFFFAOYSA-N 0 0 313.784 4.667 50 0 DJAARN Cc1nc2ccccc2nc1SCc1cccc2cccnc21 ZINC000028191704 182510426 /nfs/dbraw/zinc/51/04/26/182510426.db2.gz MLTWFMPRJATIOV-UHFFFAOYSA-N 0 0 317.417 4.779 50 0 DJAARN C[C@H]1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 ZINC000100490413 193800393 /nfs/dbraw/zinc/80/03/93/193800393.db2.gz NFNOXYZUWXRCNE-VIFPVBQESA-N 0 0 300.452 4.732 50 0 DJAARN O=C(CCc1cccs1)N[C@@H](c1cccs1)C1CCCC1 ZINC000031804865 182624237 /nfs/dbraw/zinc/62/42/37/182624237.db2.gz MYTKMYMMPQCBFZ-QGZVFWFLSA-N 0 0 319.495 4.790 50 0 DJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(F)c(F)c1 ZINC000032754307 182660109 /nfs/dbraw/zinc/66/01/09/182660109.db2.gz YKXZCDZECLPCQH-LLVKDONJSA-N 0 0 315.319 4.544 50 0 DJAARN O=C1N=C2C(=Cc3ccccc3)CCCC2[C@@H](c2ccccc2)N1 ZINC000032689273 182654804 /nfs/dbraw/zinc/65/48/04/182654804.db2.gz NFRZKWYPMCUOCU-RBAUTDOXSA-N 0 0 316.404 4.562 50 0 DJAARN CN(C(=O)c1ccccc1Cc1ccccc1)c1ccccc1 ZINC000032714723 182655534 /nfs/dbraw/zinc/65/55/34/182655534.db2.gz IEQYGZWFOFIHHR-UHFFFAOYSA-N 0 0 301.389 4.554 50 0 DJAARN Cc1ccc([C@H](NC(=O)C[C@@H]2C=CCC2)c2ccccc2)cc1C ZINC000032739274 182657823 /nfs/dbraw/zinc/65/78/23/182657823.db2.gz RHBAUEMECXIISN-XMSQKQJNSA-N 0 0 319.448 4.865 50 0 DJAARN Cc1cccc(C(=O)Nc2ccccc2Sc2ccccc2)n1 ZINC000032909615 182677478 /nfs/dbraw/zinc/67/74/78/182677478.db2.gz WNZJTBIDWINWGY-UHFFFAOYSA-N 0 0 320.417 4.794 50 0 DJAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NO2)cc1 ZINC000032935040 182683232 /nfs/dbraw/zinc/68/32/32/182683232.db2.gz WKQVRCPIXWLVPD-INIZCTEOSA-N 0 0 316.198 4.623 50 0 DJAARN Cc1ccc(Cl)cc1Nc1nc(N)c(C(=O)CC(C)C)s1 ZINC000032947396 182684087 /nfs/dbraw/zinc/68/40/87/182684087.db2.gz KLQLRYWTIRMAHF-UHFFFAOYSA-N 0 0 323.849 4.660 50 0 DJAARN C[C@@H]1CCC[C@H](C)N1C(=O)/C=C\c1c(Cl)cccc1Cl ZINC000033455990 182713739 /nfs/dbraw/zinc/71/37/39/182713739.db2.gz BTEPASVZIWNQKU-JZTCBGQASA-N 0 0 312.240 4.796 50 0 DJAARN CCCCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2ccccn21 ZINC000034915021 182744090 /nfs/dbraw/zinc/74/40/90/182744090.db2.gz JPZYTLDYVATWCM-UHFFFAOYSA-N 0 0 321.424 4.747 50 0 DJAARN Cc1c(Cl)ccc2c(Br)cc(C(F)(F)F)nc12 ZINC000038537260 183001572 /nfs/dbraw/zinc/00/15/72/183001572.db2.gz WOJBMSDNICSYGL-UHFFFAOYSA-N 0 0 324.527 4.978 50 0 DJAARN Cc1ccc(-c2nc(CSc3ccccc3Cl)no2)cc1 ZINC000040050114 183029737 /nfs/dbraw/zinc/02/97/37/183029737.db2.gz IPFONDVELROBOE-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN COc1ccccc1NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000040059499 183029969 /nfs/dbraw/zinc/02/99/69/183029969.db2.gz YITBLQJDMIZXRZ-UHFFFAOYSA-N 0 0 316.360 4.582 50 0 DJAARN Fc1cccc([C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 ZINC000040153831 183040613 /nfs/dbraw/zinc/04/06/13/183040613.db2.gz VAMCGPCNAFAGSX-GOSISDBHSA-N 0 0 322.383 4.818 50 0 DJAARN Fc1cccc([C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 ZINC000040153832 183040776 /nfs/dbraw/zinc/04/07/76/183040776.db2.gz VAMCGPCNAFAGSX-SFHVURJKSA-N 0 0 322.383 4.818 50 0 DJAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2NC1CCCC1 ZINC000040216935 183046577 /nfs/dbraw/zinc/04/65/77/183046577.db2.gz VCEJMPCLFYVIAA-UHFFFAOYSA-N 0 0 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315.438 4.844 50 0 DJAARN Cc1ccc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc1C ZINC000040139796 183039040 /nfs/dbraw/zinc/03/90/40/183039040.db2.gz COOIUKJKQBQSGT-YBEGLDIGSA-N 0 0 324.811 4.998 50 0 DJAARN O=C1C[C@H](c2cccc(O)c2)c2snc(-c3ccccc3)c2N1 ZINC000040285939 183051308 /nfs/dbraw/zinc/05/13/08/183051308.db2.gz IDJSNASRXYAKNY-CQSZACIVSA-N 0 0 322.389 4.639 50 0 DJAARN Cc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)n1 ZINC000040816427 183137510 /nfs/dbraw/zinc/13/75/10/183137510.db2.gz UFZBGJXKYUVUAF-UHFFFAOYSA-N 0 0 318.848 4.507 50 0 DJAARN CCCOc1cccc(C(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000041156676 183179270 /nfs/dbraw/zinc/17/92/70/183179270.db2.gz QOFHUHKCMPZMBK-UHFFFAOYSA-N 0 0 320.392 4.584 50 0 DJAARN C[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000043159461 183342095 /nfs/dbraw/zinc/34/20/95/183342095.db2.gz MUTRHYXUQVMSSM-LBPRGKRZSA-N 0 0 322.330 4.631 50 0 DJAARN Cc1ccc(CCC(=O)c2ccc(Br)cc2F)cc1 ZINC000043212061 183345260 /nfs/dbraw/zinc/34/52/60/183345260.db2.gz 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/nfs/dbraw/zinc/63/95/36/183639536.db2.gz GWJJRQBAYMRCTK-UHFFFAOYSA-N 0 0 318.376 4.743 50 0 DJAARN CCCC(=O)Nc1cccc(NC(=O)CC2=CCCCC2)c1C ZINC000106632738 194239534 /nfs/dbraw/zinc/23/95/34/194239534.db2.gz OKUMXKKOOHCZKT-UHFFFAOYSA-N 0 0 314.429 4.563 50 0 DJAARN Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)[C@@H](C)C(=O)[C@@H]2C)cc1 ZINC000057218382 184030152 /nfs/dbraw/zinc/03/01/52/184030152.db2.gz ORKDRKWSOGIHNW-SMOSDQRPSA-N 0 0 307.437 4.530 50 0 DJAARN COc1ccc(CSc2nnc(C3CCCCC3)o2)cc1F ZINC000058033542 184069703 /nfs/dbraw/zinc/06/97/03/184069703.db2.gz DEYBXIHFDMKLIV-UHFFFAOYSA-N 0 0 322.405 4.557 50 0 DJAARN CC(C)c1csc(C(=O)OCc2cccc3ccccc32)n1 ZINC000058015166 184067393 /nfs/dbraw/zinc/06/73/93/184067393.db2.gz MBRQECOTRKFPBO-UHFFFAOYSA-N 0 0 311.406 4.777 50 0 DJAARN CSc1nnc(COc2ccc(-c3ccccc3)cc2)s1 ZINC000058024915 184069274 /nfs/dbraw/zinc/06/92/74/184069274.db2.gz APVBVZDREALSHL-UHFFFAOYSA-N 0 0 314.435 4.506 50 0 DJAARN Cc1ccc(C[S@@](=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000058168102 184084091 /nfs/dbraw/zinc/08/40/91/184084091.db2.gz IFBXCDWGAUTYNG-IBGZPJMESA-N 0 0 313.249 4.751 50 0 DJAARN Cc1csc(N(C(=O)[C@@H]2C[C@@H]2c2ccco2)c2ccccc2)n1 ZINC000058202865 184087672 /nfs/dbraw/zinc/08/76/72/184087672.db2.gz VZACLCGCPBLUHB-LSDHHAIUSA-N 0 0 324.405 4.513 50 0 DJAARN O=C(c1cccc2ccccc21)N1CCC[C@H]1c1ccc(F)cc1 ZINC000058354978 184107792 /nfs/dbraw/zinc/10/77/92/184107792.db2.gz CNODJBINMHTJOK-FQEVSTJZSA-N 0 0 319.379 4.956 50 0 DJAARN Cc1cccc(C)c1NC(=O)N(Cc1cccc(F)c1)C(C)C ZINC000058322973 184104497 /nfs/dbraw/zinc/10/44/97/184104497.db2.gz KWXNNNOGIIUFHN-UHFFFAOYSA-N 0 0 314.404 4.885 50 0 DJAARN Cc1nc(CN(Cc2cccs2)c2ccc(C)cc2)oc1C ZINC000058325553 184105291 /nfs/dbraw/zinc/10/52/91/184105291.db2.gz UQRFQNSKABDTBD-UHFFFAOYSA-N 0 0 312.438 4.868 50 0 DJAARN O=C(N[C@H]1CCc2ccccc21)c1sccc1-c1ccccc1 ZINC000058406771 184114182 /nfs/dbraw/zinc/11/41/82/184114182.db2.gz ALJWAZLVBLNUQV-SFHVURJKSA-N 0 0 319.429 4.832 50 0 DJAARN COc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H](C)C2CC2)cc1 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Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)c1 ZINC000064579875 184300603 /nfs/dbraw/zinc/30/06/03/184300603.db2.gz CCQPBQARTAMGTD-SFHVURJKSA-N 0 0 313.828 4.555 50 0 DJAARN COc1cccc(CNc2ccc3nc(C4CC4)sc3c2)c1 ZINC000063890287 184290393 /nfs/dbraw/zinc/29/03/93/184290393.db2.gz KTFFSVIMXZKQQH-UHFFFAOYSA-N 0 0 310.422 4.794 50 0 DJAARN CCc1ccc(Nc2cc(C(=O)OC)nc3c(C)cccc23)cc1 ZINC000065033661 184308748 /nfs/dbraw/zinc/30/87/48/184308748.db2.gz GFLMNRNUQCJWKT-UHFFFAOYSA-N 0 0 320.392 4.636 50 0 DJAARN COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(F)ccc2n1 ZINC000065033593 184308919 /nfs/dbraw/zinc/30/89/19/184308919.db2.gz YDWRWFCXSPXTTN-UHFFFAOYSA-N 0 0 324.355 4.521 50 0 DJAARN COC(=O)c1cc(Nc2cc(C)cc(C)c2)c2cc(C)ccc2n1 ZINC000065033564 184308944 /nfs/dbraw/zinc/30/89/44/184308944.db2.gz AKUSIZZSHPFNCS-UHFFFAOYSA-N 0 0 320.392 4.690 50 0 DJAARN Cc1cccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)c1 ZINC000065030024 184308946 /nfs/dbraw/zinc/30/89/46/184308946.db2.gz PNHBDUGLIZBHLG-UHFFFAOYSA-N 0 0 322.795 4.963 50 0 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Cc1nc(C(F)(F)F)c(C(=O)Sc2ccc(C)cc2)s1 ZINC000000127644 563221040 /nfs/dbraw/zinc/22/10/40/563221040.db2.gz YSFAXDHDPRZXTB-UHFFFAOYSA-N 0 0 317.357 4.711 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1 ZINC000000124742 563221074 /nfs/dbraw/zinc/22/10/74/563221074.db2.gz IFNXTTSMUGZXCH-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN Cc1cc(C)cc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000000130398 563221823 /nfs/dbraw/zinc/22/18/23/563221823.db2.gz NPJHAYIIWOKDED-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000136745 563222104 /nfs/dbraw/zinc/22/21/04/563222104.db2.gz RZIQESSYWPXHAH-UHFFFAOYSA-N 0 0 316.356 4.775 50 0 DJAARN COc1ccc(NC(=O)c2oc3ccccc3c2C)cc1Cl ZINC000000136460 563222404 /nfs/dbraw/zinc/22/24/04/563222404.db2.gz JERJXQUQVAQMIC-UHFFFAOYSA-N 0 0 315.756 4.656 50 0 DJAARN Cc1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)c(C)c1 ZINC000000137147 563222984 /nfs/dbraw/zinc/22/29/84/563222984.db2.gz IOMXZKZXMIOGJH-UHFFFAOYSA-N 0 0 311.425 4.753 50 0 DJAARN Cc1onc(-c2ccccc2Cl)c1[C@@H](O)c1ccc(F)cc1 ZINC000000140729 563223261 /nfs/dbraw/zinc/22/32/61/563223261.db2.gz YMXOPZVQTQUWKF-KRWDZBQOSA-N 0 0 317.747 4.524 50 0 DJAARN O=C(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000000154026 563225246 /nfs/dbraw/zinc/22/52/46/563225246.db2.gz VXZKLJWHMBIJEL-UHFFFAOYSA-N 0 0 315.294 4.679 50 0 DJAARN Cc1ccc2cccc(OC(=O)c3c(F)cccc3Cl)c2n1 ZINC000000150886 563225286 /nfs/dbraw/zinc/22/52/86/563225286.db2.gz SJWWFQQEDBQRNC-UHFFFAOYSA-N 0 0 315.731 4.555 50 0 DJAARN O=Cc1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 ZINC000000159336 563225748 /nfs/dbraw/zinc/22/57/48/563225748.db2.gz MRNMDAQYNVRKOL-UHFFFAOYSA-N 0 0 319.076 4.540 50 0 DJAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000000155445 563225771 /nfs/dbraw/zinc/22/57/71/563225771.db2.gz PDMHICMFOPITJO-UHFFFAOYSA-N 0 0 323.440 4.938 50 0 DJAARN Cn1c2ccccc2c(C=O)c1SCc1ccc(Cl)cc1 ZINC000000168714 563226345 /nfs/dbraw/zinc/22/63/45/563226345.db2.gz WUOHVIRFXLWCKZ-UHFFFAOYSA-N 0 0 315.825 4.937 50 0 DJAARN CCNC(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000000169820 563226980 /nfs/dbraw/zinc/22/69/80/563226980.db2.gz GARCBDAMSUFBSP-OAQYLSRUSA-N 0 0 322.452 4.711 50 0 DJAARN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccccc2)C1(C)C ZINC000000172720 563227379 /nfs/dbraw/zinc/22/73/79/563227379.db2.gz BCSAWRQMUAATCE-RTBURBONSA-N 0 0 309.409 4.792 50 0 DJAARN Clc1ccccc1CSc1nccc(-c2ccco2)n1 ZINC000000172377 563227505 /nfs/dbraw/zinc/22/75/05/563227505.db2.gz UEHQGHYIUFIGGZ-UHFFFAOYSA-N 0 0 302.786 4.682 50 0 DJAARN CC(C)[C@@H](OC(=O)c1ccccc1)c1nccc2ccccc21 ZINC000000173521 563227986 /nfs/dbraw/zinc/22/79/86/563227986.db2.gz DPPHXDGJFPXPHI-LJQANCHMSA-N 0 0 305.377 4.789 50 0 DJAARN O=C(Nc1cccc(F)c1)C1c2ccccc2Oc2ccccc21 ZINC000000182640 563228472 /nfs/dbraw/zinc/22/84/72/563228472.db2.gz IVFZYLROIOCWDN-UHFFFAOYSA-N 0 0 319.335 4.702 50 0 DJAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000000179922 563228635 /nfs/dbraw/zinc/22/86/35/563228635.db2.gz SAKLKDHGQMHMMW-HNNXBMFYSA-N 0 0 324.232 4.772 50 0 DJAARN CCOc1cc2occ(Oc3ccccc3)c(=O)c2cc1CC ZINC000000189802 563229142 /nfs/dbraw/zinc/22/91/42/563229142.db2.gz YQLQQFRWOHXLJK-UHFFFAOYSA-N 0 0 310.349 4.546 50 0 biogenic DJAARN C[C@@H]1CCCN(c2nc(-c3ccccc3F)nc3ccccc32)C1 ZINC000000215384 563230817 /nfs/dbraw/zinc/23/08/17/563230817.db2.gz KTDUKSHBYNRJOX-CQSZACIVSA-N 0 0 321.399 4.672 50 0 DJAARN CCOc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccccc1 ZINC000000235328 563232334 /nfs/dbraw/zinc/23/23/34/563232334.db2.gz RFYKHXWSTXCUIJ-UHFFFAOYSA-N 0 0 307.393 4.599 50 0 DJAARN Cc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 ZINC000000244676 563232677 /nfs/dbraw/zinc/23/26/77/563232677.db2.gz WUYBKXCMVREJLV-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN COc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000000240993 563232822 /nfs/dbraw/zinc/23/28/22/563232822.db2.gz LQBCVRWVKMGPCC-UHFFFAOYSA-N 0 0 309.409 4.995 50 0 DJAARN CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000259127 563233853 /nfs/dbraw/zinc/23/38/53/563233853.db2.gz VRFBDJSDTUVYMR-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Nc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000000282319 563235926 /nfs/dbraw/zinc/23/59/26/563235926.db2.gz NVKGJHAQGWCWDI-UHFFFAOYSA-N 0 0 320.236 4.556 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1C ZINC000000288431 563236639 /nfs/dbraw/zinc/23/66/39/563236639.db2.gz RPRFZXTVEBYOQY-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccccc1 ZINC000000299180 563237886 /nfs/dbraw/zinc/23/78/86/563237886.db2.gz YKROAGBWBGWCDU-UHFFFAOYSA-N 0 0 319.408 4.794 50 0 DJAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000000308397 563238876 /nfs/dbraw/zinc/23/88/76/563238876.db2.gz NLJVFJIIRNSTKI-UHFFFAOYSA-N 0 0 324.207 4.953 50 0 DJAARN COc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1 ZINC000000307577 563238899 /nfs/dbraw/zinc/23/88/99/563238899.db2.gz YAESPPVVRGBJJH-UHFFFAOYSA-N 0 0 317.801 4.611 50 0 DJAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 ZINC000000309144 563238938 /nfs/dbraw/zinc/23/89/38/563238938.db2.gz VOCAUJRYACWAJF-UHFFFAOYSA-N 0 0 318.332 4.649 50 0 DJAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000315603 563240123 /nfs/dbraw/zinc/24/01/23/563240123.db2.gz HBWQJHZZYWIHKK-YRNVUSSQSA-N 0 0 315.800 4.699 50 0 DJAARN CC1(C)Oc2ccc3ccc(=O)oc3c2-c2c3ccccc3[nH]c21 ZINC000000314976 563240315 /nfs/dbraw/zinc/24/03/15/563240315.db2.gz WAMKAPNUEHJAJT-UHFFFAOYSA-N 0 0 317.344 4.569 50 0 biogenic DJAARN O=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000000336022 563241393 /nfs/dbraw/zinc/24/13/93/563241393.db2.gz SFIVSAJWGJMMDD-UHFFFAOYSA-N 0 0 303.283 4.521 50 0 DJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000341337 563242027 /nfs/dbraw/zinc/24/20/27/563242027.db2.gz JLXKENICFZMSJM-UHFFFAOYSA-N 0 0 305.377 4.879 50 0 DJAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1cccs1 ZINC000000355421 563243748 /nfs/dbraw/zinc/24/37/48/563243748.db2.gz MVQOTGNHVVQRDQ-UHFFFAOYSA-N 0 0 321.445 4.587 50 0 DJAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000000356117 563243790 /nfs/dbraw/zinc/24/37/90/563243790.db2.gz FYMPJSJRIYPKHY-LBPRGKRZSA-N 0 0 324.449 4.800 50 0 DJAARN O=C(CSc1ccccn1)n1c2ccccc2c2ccccc21 ZINC000000355537 563243891 /nfs/dbraw/zinc/24/38/91/563243891.db2.gz RQRLMYDGWTVFHP-UHFFFAOYSA-N 0 0 318.401 4.622 50 0 DJAARN CCc1ccc(OC(=O)c2ccccc2C)c(Br)c1 ZINC000000358941 563244286 /nfs/dbraw/zinc/24/42/86/563244286.db2.gz SPTZFICFVDSRGI-UHFFFAOYSA-N 0 0 319.198 4.539 50 0 DJAARN Cc1ccc(OC(=O)c2ccc(C)c(Br)c2)c(C)c1 ZINC000000359124 563244348 /nfs/dbraw/zinc/24/43/48/563244348.db2.gz LWMLSQOSCLYRSD-UHFFFAOYSA-N 0 0 319.198 4.594 50 0 DJAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000000359072 563244443 /nfs/dbraw/zinc/24/44/43/563244443.db2.gz MMORVFNDNHOSQK-CYBMUJFWSA-N 0 0 317.816 4.871 50 0 DJAARN CC[C@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000000362482 563244867 /nfs/dbraw/zinc/24/48/67/563244867.db2.gz WTJYDDXKPMRGRW-HNNXBMFYSA-N 0 0 318.214 4.581 50 0 DJAARN Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1 ZINC000000363482 563245272 /nfs/dbraw/zinc/24/52/72/563245272.db2.gz ZEVFOUFDWXRQOH-UHFFFAOYSA-N 0 0 310.422 4.566 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000364593 563245306 /nfs/dbraw/zinc/24/53/06/563245306.db2.gz ZKXUILHFCKEYRF-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN CSc1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000000363713 563245311 /nfs/dbraw/zinc/24/53/11/563245311.db2.gz JCODMCIBLRTDRB-UHFFFAOYSA-N 0 0 307.418 4.743 50 0 DJAARN Oc1ccccc1Nc1nnc(-c2ccccc2)c2ccccc21 ZINC000000367388 563245765 /nfs/dbraw/zinc/24/57/65/563245765.db2.gz QWPSZXFKKFZYBJ-UHFFFAOYSA-N 0 0 313.360 4.746 50 0 DJAARN COc1cccc(C(=O)Oc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000000365039 563245869 /nfs/dbraw/zinc/24/58/69/563245869.db2.gz IKRYRFGBCJYSJL-UHFFFAOYSA-N 0 0 318.800 5.000 50 0 DJAARN CCN(CC)c1ccc(NC(=O)CCCc2ccccc2)c(C)c1 ZINC000000365323 563246096 /nfs/dbraw/zinc/24/60/96/563246096.db2.gz SKYNSRZDNMXAOJ-UHFFFAOYSA-N 0 0 324.468 4.803 50 0 DJAARN CCN(CC)c1ccc(NC(=O)c2csc3ccccc23)cc1 ZINC000000371775 563246480 /nfs/dbraw/zinc/24/64/80/563246480.db2.gz JIFUKOXLQRWCOF-UHFFFAOYSA-N 0 0 324.449 5.000 50 0 DJAARN O=C1c2ccccc2CN1c1cc(Cl)c(Cl)cc1Cl ZINC000000373496 563247083 /nfs/dbraw/zinc/24/70/83/563247083.db2.gz QNHJRVDUZVGDIG-UHFFFAOYSA-N 0 0 312.583 4.807 50 0 DJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1sc2ccccc2c1Cl ZINC000000375651 563247142 /nfs/dbraw/zinc/24/71/42/563247142.db2.gz AJXSXGNXXNXKQD-QWRGUYRKSA-N 0 0 307.846 4.958 50 0 DJAARN Cc1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000000385299 563248905 /nfs/dbraw/zinc/24/89/05/563248905.db2.gz YIZRIDFBMZXYNA-UHFFFAOYSA-N 0 0 304.271 4.731 50 0 DJAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCC(C)CC2)n1 ZINC000000390194 563249216 /nfs/dbraw/zinc/24/92/16/563249216.db2.gz HTBWNPLJSBWHFI-UHFFFAOYSA-N 0 0 323.465 4.903 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)Oc1cccc2cccnc21 ZINC000000395393 563249884 /nfs/dbraw/zinc/24/98/84/563249884.db2.gz DRXRVRHZESULQG-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN Cc1cc(C)c(NC(=O)c2cccc(Br)c2)c(C)c1 ZINC000000398542 563250569 /nfs/dbraw/zinc/25/05/69/563250569.db2.gz CJEADPZKYHTRRN-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN CSc1ccc(NC(=O)N(C(C)C)C2CCCCC2)cc1 ZINC000000399738 563250937 /nfs/dbraw/zinc/25/09/37/563250937.db2.gz FMWSRIMIWZMZFW-UHFFFAOYSA-N 0 0 306.475 4.984 50 0 DJAARN CSc1ccc(OC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000399575 563250990 /nfs/dbraw/zinc/25/09/90/563250990.db2.gz ZWYOASKIPLFAEF-UHFFFAOYSA-N 0 0 307.802 4.981 50 0 DJAARN Clc1c(Cl)c(Cl)c2c(c1Cl)O[C@@H]1C=CC[C@H]1O2 ZINC000000401208 563251037 /nfs/dbraw/zinc/25/10/37/563251037.db2.gz LGHMNWNGZJHMBK-RFZPGFLSSA-N 0 0 311.979 4.769 50 0 DJAARN CSc1ccc(NC(=O)Oc2cc(C)cc(C)c2C)cc1 ZINC000000399731 563251287 /nfs/dbraw/zinc/25/12/87/563251287.db2.gz QJTPIHJTJJOCRO-UHFFFAOYSA-N 0 0 301.411 4.945 50 0 DJAARN O=C(Nc1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000000406518 563251382 /nfs/dbraw/zinc/25/13/82/563251382.db2.gz RSKZSNSQWVXUFO-HXUWFJFHSA-N 0 0 316.404 4.792 50 0 DJAARN O=C(Nc1nc2c(cccc2Cl)s1)Nc1ccccc1 ZINC000000405816 563251525 /nfs/dbraw/zinc/25/15/25/563251525.db2.gz ZARZCNYXORRQGQ-UHFFFAOYSA-N 0 0 303.774 4.594 50 0 DJAARN O=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000000406517 563251535 /nfs/dbraw/zinc/25/15/35/563251535.db2.gz RSKZSNSQWVXUFO-FQEVSTJZSA-N 0 0 316.404 4.792 50 0 DJAARN C[C@H](CCc1ccccc1)NC(=O)Nc1cccc2ccccc21 ZINC000000407566 563251771 /nfs/dbraw/zinc/25/17/71/563251771.db2.gz LLJGTQXNLXEWJA-MRXNPFEDSA-N 0 0 318.420 4.983 50 0 DJAARN COc1ccc(CNc2c(Cl)c(C)nc(C)c2Cl)cc1 ZINC000000408079 563252039 /nfs/dbraw/zinc/25/20/39/563252039.db2.gz LWRFOVKPACNNLT-UHFFFAOYSA-N 0 0 311.212 4.626 50 0 DJAARN Brc1ccc(-c2noc(C3CCCCC3)n2)cc1 ZINC000000430493 563252795 /nfs/dbraw/zinc/25/27/95/563252795.db2.gz HVKDKLNQUZYYAJ-UHFFFAOYSA-N 0 0 307.191 4.547 50 0 DJAARN CCOc1ccccc1NC(=O)c1c(Cl)cccc1Cl ZINC000000434607 563253389 /nfs/dbraw/zinc/25/33/89/563253389.db2.gz DJHAQNLFIFGURF-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 ZINC000000439289 563253758 /nfs/dbraw/zinc/25/37/58/563253758.db2.gz QGNQAWYEZXHCTL-UHFFFAOYSA-N 0 0 322.311 4.567 50 0 DJAARN COc1ccc(C)cc1NC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000000437423 563254002 /nfs/dbraw/zinc/25/40/02/563254002.db2.gz HPLLLLMGJPYKDY-UHFFFAOYSA-N 0 0 311.425 4.798 50 0 DJAARN COc1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000000445675 563255573 /nfs/dbraw/zinc/25/55/73/563255573.db2.gz FZZYBLUTDZATFA-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN O=C(CCNc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000446474 563255658 /nfs/dbraw/zinc/25/56/58/563255658.db2.gz TVXQFULMXDYTBG-UHFFFAOYSA-N 0 0 312.171 4.817 50 0 DJAARN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000000445010 563255692 /nfs/dbraw/zinc/25/56/92/563255692.db2.gz ZAZMJKQILKXXJH-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000000449416 563256096 /nfs/dbraw/zinc/25/60/96/563256096.db2.gz GSSQGUTXSGYECD-UHFFFAOYSA-N 0 0 317.388 4.680 50 0 aggregator DJAARN Clc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000000452905 563256617 /nfs/dbraw/zinc/25/66/17/563256617.db2.gz CPHRDAGIDJZPDC-UHFFFAOYSA-N 0 0 308.562 4.911 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000000452277 563256813 /nfs/dbraw/zinc/25/68/13/563256813.db2.gz SBIVNWIXXCXJOZ-CYBMUJFWSA-N 0 0 319.857 4.909 50 0 DJAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000000453108 563256819 /nfs/dbraw/zinc/25/68/19/563256819.db2.gz RCIUHQWJBXNYBR-INIZCTEOSA-N 0 0 317.388 4.760 50 0 DJAARN Cc1cc(C)c(C)c(COc2ccc3ccc(=O)oc3c2)c1C ZINC000000458984 563258359 /nfs/dbraw/zinc/25/83/59/563258359.db2.gz VCMIZKMITUWTIE-UHFFFAOYSA-N 0 0 308.377 4.606 50 0 biogenic DJAARN CC[C@H](C)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 ZINC000000463290 563259050 /nfs/dbraw/zinc/25/90/50/563259050.db2.gz GXAIRQFZBPPPNK-INIZCTEOSA-N 0 0 311.425 4.834 50 0 DJAARN CCC(CC)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000469864 563260083 /nfs/dbraw/zinc/26/00/83/563260083.db2.gz WNRUANNKJWRPAE-UHFFFAOYSA-N 0 0 308.381 4.870 50 0 DJAARN CC[C@H](C(=O)Nc1ccc(N(CC)CC)cc1)c1ccccc1 ZINC000000473659 563261209 /nfs/dbraw/zinc/26/12/09/563261209.db2.gz WEMKZQJXZKCLFK-IBGZPJMESA-N 0 0 310.441 4.665 50 0 DJAARN O=C(CCSc1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000000472852 563261242 /nfs/dbraw/zinc/26/12/42/563261242.db2.gz AYQWNQUTWVMOJK-UHFFFAOYSA-N 0 0 323.889 4.829 50 0 DJAARN O=C(CCC1CCCC1)NCc1ccc(Cl)c(Cl)c1 ZINC000000474440 563261577 /nfs/dbraw/zinc/26/15/77/563261577.db2.gz BHGVQTZVUXJYBL-UHFFFAOYSA-N 0 0 300.229 4.580 50 0 DJAARN Clc1ccc(NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000000480166 563262404 /nfs/dbraw/zinc/26/24/04/563262404.db2.gz APYPUPVDWPBLFZ-UHFFFAOYSA-N 0 0 304.180 4.981 50 0 DJAARN C[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000476700 563262433 /nfs/dbraw/zinc/26/24/33/563262433.db2.gz UNHBXIKZFJPGFI-ZJNQMXKESA-N 0 0 320.219 4.884 50 0 DJAARN CC(C)C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000521033 563264001 /nfs/dbraw/zinc/26/40/01/563264001.db2.gz ABOZDSAZOLKXHP-UHFFFAOYSA-N 0 0 314.772 4.743 50 0 DJAARN O=C(c1ccccc1)[C@H](Sc1ccccn1)c1ccccc1 ZINC000000523521 563264717 /nfs/dbraw/zinc/26/47/17/563264717.db2.gz PAYMAMGOURTVBL-LJQANCHMSA-N 0 0 305.402 4.798 50 0 DJAARN Cc1[nH]c2ccccc2c1C(=O)COc1cccc2ccccc21 ZINC000000532395 563265188 /nfs/dbraw/zinc/26/51/88/563265188.db2.gz PWAADPLCZOZFHW-UHFFFAOYSA-N 0 0 315.372 4.891 50 0 DJAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000555051 563265932 /nfs/dbraw/zinc/26/59/32/563265932.db2.gz ULIDRHVRMOVUIM-NSHDSACASA-N 0 0 323.820 4.907 50 0 DJAARN Fc1cccc(Cl)c1CSCc1nc2ccccc2[nH]1 ZINC000000560674 563266575 /nfs/dbraw/zinc/26/65/75/563266575.db2.gz XETOTOCTRBUZLG-UHFFFAOYSA-N 0 0 306.793 4.789 50 0 DJAARN O=C(Nc1ccccc1N1CCCCC1)c1ccccc1Cl ZINC000000570224 563267340 /nfs/dbraw/zinc/26/73/40/563267340.db2.gz SFEJMHRDWNCFSE-UHFFFAOYSA-N 0 0 314.816 4.583 50 0 DJAARN COCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000000572707 563267796 /nfs/dbraw/zinc/26/77/96/563267796.db2.gz ITMIGUDPKKPMDG-UHFFFAOYSA-N 0 0 321.207 4.538 50 0 DJAARN Cc1cc(OC(=O)/C=C/c2ccc(F)cc2)cc(C)c1Cl ZINC000000587237 563268214 /nfs/dbraw/zinc/26/82/14/563268214.db2.gz GDXLSIBVXPKHNJ-VMPITWQZSA-N 0 0 304.748 4.715 50 0 DJAARN CC[C@H](C)NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000000582836 563268552 /nfs/dbraw/zinc/26/85/52/563268552.db2.gz ZXXZKXXCNSALDZ-HNNXBMFYSA-N 0 0 313.466 4.816 50 0 DJAARN Brc1ccc(-c2noc(CCC3CCCC3)n2)cc1 ZINC000000618272 563270412 /nfs/dbraw/zinc/27/04/12/563270412.db2.gz IWYZPQNUNHKSMR-UHFFFAOYSA-N 0 0 321.218 4.622 50 0 DJAARN Cc1cc(NC(=O)CSc2ccc(F)cc2)ccc1Cl ZINC000000618800 563270502 /nfs/dbraw/zinc/27/05/02/563270502.db2.gz CTNNIWCPNAWPDN-UHFFFAOYSA-N 0 0 309.793 4.518 50 0 DJAARN C[C@H](NC(=O)c1ccccc1Cl)c1ccc2ccccc2c1 ZINC000000619284 563271077 /nfs/dbraw/zinc/27/10/77/563271077.db2.gz RDSYOBCISBEQMZ-ZDUSSCGKSA-N 0 0 309.796 4.984 50 0 DJAARN O=C(Nc1ccc(F)c(Cl)c1)c1csc2c1CCCC2 ZINC000000620159 563271295 /nfs/dbraw/zinc/27/12/95/563271295.db2.gz QTKUXSVBWNDOMX-UHFFFAOYSA-N 0 0 309.793 4.672 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 ZINC000000783333 563271889 /nfs/dbraw/zinc/27/18/89/563271889.db2.gz MISJAIWWLJNCHP-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Cc1ccc2c(Cl)c(C(=O)Nc3ccncc3)sc2c1 ZINC000000998324 563273572 /nfs/dbraw/zinc/27/35/72/563273572.db2.gz YSXLFIJJZZNYCQ-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CCc1ccc(C)c(OC(=O)Cc2cccc3ccccc32)c1 ZINC000001006425 563274290 /nfs/dbraw/zinc/27/42/90/563274290.db2.gz NNCOHYIYUPKAQJ-UHFFFAOYSA-N 0 0 304.389 4.859 50 0 DJAARN O=C(CCC1CCCCC1)Nc1cccc(N2CCCC2)c1 ZINC000001013288 563274385 /nfs/dbraw/zinc/27/43/85/563274385.db2.gz OXNMOVQBTZBJDM-UHFFFAOYSA-N 0 0 300.446 4.586 50 0 DJAARN c1[nH]c2ccccc2c1-c1csc(N2CCc3ccccc32)n1 ZINC000001064659 563276373 /nfs/dbraw/zinc/27/63/73/563276373.db2.gz URQMIYUMVQDVKH-UHFFFAOYSA-N 0 0 317.417 4.986 50 0 DJAARN CSc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001061502 563276375 /nfs/dbraw/zinc/27/63/75/563276375.db2.gz AMFKWUPNNYILKS-UHFFFAOYSA-N 0 0 312.221 4.968 50 0 DJAARN CCc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000001061532 563276409 /nfs/dbraw/zinc/27/64/09/563276409.db2.gz SCNATEKUKFDMKS-UHFFFAOYSA-N 0 0 309.340 4.900 50 0 DJAARN Cc1c2ccccc2oc1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000001055594 563276433 /nfs/dbraw/zinc/27/64/33/563276433.db2.gz LJSBYWLHBRHKRM-UHFFFAOYSA-N 0 0 314.410 4.748 50 0 DJAARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001090618 563277062 /nfs/dbraw/zinc/27/70/62/563277062.db2.gz HLDVQPPMWKOUCS-KRWDZBQOSA-N 0 0 317.841 4.681 50 0 DJAARN O=C(NCCC(c1ccccc1)c1ccccc1)C1CCCC1 ZINC000001088127 563277113 /nfs/dbraw/zinc/27/71/13/563277113.db2.gz ZAXWGWXHLBSMHP-UHFFFAOYSA-N 0 0 307.437 4.515 50 0 DJAARN CC(C)(C)c1cc(C(=O)N2CCCCC2)cc(C(C)(C)C)c1 ZINC000001123997 563277903 /nfs/dbraw/zinc/27/79/03/563277903.db2.gz HMGRPYAIQPQRKY-UHFFFAOYSA-N 0 0 301.474 4.908 50 0 DJAARN COc1ccc(NC(=O)c2ccccc2-c2ccccc2)c(C)c1 ZINC000001125666 563277924 /nfs/dbraw/zinc/27/79/24/563277924.db2.gz ZEXFPGYHARJULD-UHFFFAOYSA-N 0 0 317.388 4.923 50 0 DJAARN Cc1cc(O[C@H](C)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000001165239 563278649 /nfs/dbraw/zinc/27/86/49/563278649.db2.gz ZNRBUGUZSKEYBN-CQSZACIVSA-N 0 0 320.388 4.730 50 0 DJAARN O=C(CCc1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000001212733 563279307 /nfs/dbraw/zinc/27/93/07/563279307.db2.gz ASIRUIJZZCBLFQ-UHFFFAOYSA-N 0 0 301.389 4.925 50 0 DJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000001195801 563279542 /nfs/dbraw/zinc/27/95/42/563279542.db2.gz PWMATKPMYODMKX-UHFFFAOYSA-N 0 0 313.400 4.552 50 0 DJAARN CC[C@H](C)c1ccc(NC(=O)c2cc3ccccc3o2)c(O)c1 ZINC000001220604 563280268 /nfs/dbraw/zinc/28/02/68/563280268.db2.gz KKSZQZQEIVJAMT-LBPRGKRZSA-N 0 0 309.365 4.904 50 0 DJAARN CC(=O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000001395955 563282282 /nfs/dbraw/zinc/28/22/82/563282282.db2.gz FNPJEDUECCADDL-UHFFFAOYSA-N 0 0 315.678 4.749 50 0 DJAARN CCNc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000001399421 563282724 /nfs/dbraw/zinc/28/27/24/563282724.db2.gz QLJLYHFAYYCTIL-UHFFFAOYSA-N 0 0 319.330 4.535 50 0 DJAARN CCNc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000001399409 563282828 /nfs/dbraw/zinc/28/28/28/563282828.db2.gz PGSRZOKRZGZZLF-UHFFFAOYSA-N 0 0 320.223 4.823 50 0 DJAARN CCNc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000001399422 563282947 /nfs/dbraw/zinc/28/29/47/563282947.db2.gz UTSCHBVVSZGJLX-UHFFFAOYSA-N 0 0 307.441 4.814 50 0 DJAARN O=C(Nc1ccccc1[C@@H]1CC1(Cl)Cl)c1cccs1 ZINC000001443171 563283531 /nfs/dbraw/zinc/28/35/31/563283531.db2.gz PPZFCYMKHPLVKX-JTQLQIEISA-N 0 0 312.221 4.662 50 0 DJAARN O=C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001599081 563287377 /nfs/dbraw/zinc/28/73/77/563287377.db2.gz VEQBFCHDNFXWFH-UHFFFAOYSA-N 0 0 301.389 4.529 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)OCCCc1ccccc1 ZINC000001741566 563294677 /nfs/dbraw/zinc/29/46/77/563294677.db2.gz RJGDVIAOHUKHAP-UHFFFAOYSA-N 0 0 303.789 4.830 50 0 DJAARN Cc1ccc(NC(=O)OC/C=C/c2ccccc2)c(Cl)c1 ZINC000001752734 563295038 /nfs/dbraw/zinc/29/50/38/563295038.db2.gz XIUVOVNGRFWHCT-VMPITWQZSA-N 0 0 301.773 4.910 50 0 DJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001752710 563295290 /nfs/dbraw/zinc/29/52/90/563295290.db2.gz BDONOGBTLDLGJK-GHMZBOCLSA-N 0 0 300.324 4.500 50 0 DJAARN CCc1cccc(CC)c1NC(=O)CCCOc1ccccc1 ZINC000001777366 563295543 /nfs/dbraw/zinc/29/55/43/563295543.db2.gz PALCDVWOJJAHAI-UHFFFAOYSA-N 0 0 311.425 4.609 50 0 DJAARN Cc1sc(NC(=O)C(C)(C)C)nc1-c1cccc(Cl)c1 ZINC000001791001 563296001 /nfs/dbraw/zinc/29/60/01/563296001.db2.gz FYHSRWDPBIMLTG-UHFFFAOYSA-N 0 0 308.834 4.757 50 0 DJAARN COC(=O)/C(=C/c1ccc(C)cc1)c1ccc2ccccc2c1 ZINC000002023179 563297928 /nfs/dbraw/zinc/29/79/28/563297928.db2.gz PJNPFNFAFQGGEV-DEDYPNTBSA-N 0 0 302.373 4.862 50 0 DJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(F)cc1 ZINC000002080147 563299415 /nfs/dbraw/zinc/29/94/15/563299415.db2.gz KIIJVWNQJXZYFL-UHFFFAOYSA-N 0 0 321.779 4.585 50 0 DJAARN CCCC[C@H](CC)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002088199 563299448 /nfs/dbraw/zinc/29/94/48/563299448.db2.gz VRSMMKGPFCIGGI-ZETCQYMHSA-N 0 0 309.278 4.537 50 0 DJAARN Cc1cccc(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000002165495 563300803 /nfs/dbraw/zinc/30/08/03/563300803.db2.gz MHXPBYPZIGSUOM-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN CCCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000002154382 563301088 /nfs/dbraw/zinc/30/10/88/563301088.db2.gz PZIBCCJVHQUDDX-UHFFFAOYSA-N 0 0 321.380 4.532 50 0 DJAARN CC(C)(C)c1ccc(CCOc2ncnc3ccccc32)cc1 ZINC000002383010 563302911 /nfs/dbraw/zinc/30/29/11/563302911.db2.gz DMYHGDXADUDKCQ-UHFFFAOYSA-N 0 0 306.409 4.549 50 0 in-vitro DJAARN CCn1c2ccccc2c2cc(NC(=O)c3ccoc3C)ccc21 ZINC000002357349 563303169 /nfs/dbraw/zinc/30/31/69/563303169.db2.gz LTHXVDMNBYIFEU-UHFFFAOYSA-N 0 0 318.376 4.968 50 0 DJAARN Cc1ccccc1CCC(=O)c1ccc(Br)cc1 ZINC000002516374 563306204 /nfs/dbraw/zinc/30/62/04/563306204.db2.gz JCRAJSLHLNEVED-UHFFFAOYSA-N 0 0 303.199 4.573 50 0 DJAARN CSc1ccc(CCC(=O)c2ccccc2SC)cc1 ZINC000002516654 563306738 /nfs/dbraw/zinc/30/67/38/563306738.db2.gz JFIXLMJNUNSTLK-UHFFFAOYSA-N 0 0 302.464 4.946 50 0 DJAARN COc1ccc(CCC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000002516573 563306761 /nfs/dbraw/zinc/30/67/61/563306761.db2.gz TZDWFEMOTLOTMU-UHFFFAOYSA-N 0 0 308.299 4.530 50 0 DJAARN O=C(CCc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000002516762 563306845 /nfs/dbraw/zinc/30/68/45/563306845.db2.gz OJFLWIBVHSFHAX-UHFFFAOYSA-N 0 0 323.617 4.918 50 0 DJAARN Cc1ccc(C(=O)CCc2cccc(Br)c2)c(C)c1 ZINC000002516714 563306862 /nfs/dbraw/zinc/30/68/62/563306862.db2.gz KMRGIXZKCMZNHW-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN Cc1cccc(C)c1CCC(=O)c1cccc(Br)c1 ZINC000002517590 563307387 /nfs/dbraw/zinc/30/73/87/563307387.db2.gz XXGRTVZQGVPIMM-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN CCOC(=O)CCCCCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002580375 563310202 /nfs/dbraw/zinc/31/02/02/563310202.db2.gz WNRCSRWRVHITLT-UHFFFAOYSA-N 0 0 304.430 4.680 50 0 DJAARN CCCNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000002752912 563312488 /nfs/dbraw/zinc/31/24/88/563312488.db2.gz WEYBNQLMHRFKSI-UHFFFAOYSA-N 0 0 319.404 4.559 50 0 biogenic DJAARN CCc1ccc2c(c1)sc(C(=O)Nc1cccnc1)c2Cl ZINC000002761012 563312719 /nfs/dbraw/zinc/31/27/19/563312719.db2.gz IYMBQKROWQURIJ-UHFFFAOYSA-N 0 0 316.813 4.764 50 0 DJAARN Cc1ccc(SCCNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002800850 563313595 /nfs/dbraw/zinc/31/35/95/563313595.db2.gz KRIRYXFWPJCWPR-UHFFFAOYSA-N 0 0 320.845 4.562 50 0 DJAARN CCCCc1ccc2nc3sc(C(=O)OCC)cc3cc2c1 ZINC000002835803 563314261 /nfs/dbraw/zinc/31/42/61/563314261.db2.gz DOBDKIUHDKPXEK-UHFFFAOYSA-N 0 0 313.422 4.969 50 0 DJAARN CCCCC(=O)Nc1cccc(NC(=O)c2cc(C)cc(C)c2)c1 ZINC000002855838 563314751 /nfs/dbraw/zinc/31/47/51/563314751.db2.gz ULUPCYMXBCXIQN-UHFFFAOYSA-N 0 0 324.424 4.684 50 0 DJAARN Cc1ccc(C(C)C)c(OCCCn2cnc3ccccc32)c1 ZINC000002845323 563314983 /nfs/dbraw/zinc/31/49/83/563314983.db2.gz MCZOQQFRSXPROW-UHFFFAOYSA-N 0 0 308.425 4.937 50 0 DJAARN O=C(NCCC1=CCCCC1)c1ccccc1-c1ccccc1 ZINC000002845058 563315132 /nfs/dbraw/zinc/31/51/32/563315132.db2.gz VDGXYDWPWUZQQX-UHFFFAOYSA-N 0 0 305.421 4.974 50 0 DJAARN COc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1 ZINC000002860501 563315550 /nfs/dbraw/zinc/31/55/50/563315550.db2.gz OQXBNKUNQKKTKU-UHFFFAOYSA-N 0 0 317.801 4.611 50 0 DJAARN 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Cc1cccc(OCCCCOc2cccc3cccnc32)c1 ZINC000002985652 563319491 /nfs/dbraw/zinc/31/94/91/563319491.db2.gz XFXFJVRYBWBFQI-UHFFFAOYSA-N 0 0 307.393 4.781 50 0 DJAARN C/C=C/c1ccc(OCCOc2cc(C)cc(C)c2)c(OC)c1 ZINC000002986952 563319955 /nfs/dbraw/zinc/31/99/55/563319955.db2.gz NHKWEZZETSPZLE-AATRIKPKSA-N 0 0 312.409 4.803 50 0 DJAARN CCCCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1 ZINC000002999498 563320695 /nfs/dbraw/zinc/32/06/95/563320695.db2.gz HIMYJFLCFGSZNT-UHFFFAOYSA-N 0 0 311.425 4.989 50 0 DJAARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc2ccccc2c1 ZINC000003119224 563321875 /nfs/dbraw/zinc/32/18/75/563321875.db2.gz YJOIJWAZADNBOD-UHFFFAOYSA-N 0 0 323.351 4.794 50 0 DJAARN O=C(c1ccccc1F)N(C1CCCCC1)C1CCCCC1 ZINC000003152594 563323207 /nfs/dbraw/zinc/32/32/07/563323207.db2.gz ZHVPNXNRPGNFGS-UHFFFAOYSA-N 0 0 303.421 4.933 50 0 DJAARN Cc1cc(OCc2noc(-c3ccccc3)n2)ccc1C(C)C ZINC000034906881 563324523 /nfs/dbraw/zinc/32/45/23/563324523.db2.gz VMWLLUMBFHEFLP-UHFFFAOYSA-N 0 0 308.381 4.747 50 0 DJAARN 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563455866 /nfs/dbraw/zinc/45/58/66/563455866.db2.gz KGBSVGRRTYUNSQ-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1F ZINC000036620572 563455917 /nfs/dbraw/zinc/45/59/17/563455917.db2.gz LNAZMRLPEPROMG-KRWDZBQOSA-N 0 0 316.351 4.642 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000036620632 563456157 /nfs/dbraw/zinc/45/61/57/563456157.db2.gz WWNFYJOGXQQCKT-GOSISDBHSA-N 0 0 312.388 4.757 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1C ZINC000036620868 563456171 /nfs/dbraw/zinc/45/61/71/563456171.db2.gz OORXMJDLKWFHCM-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN C[C@@H](NC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000032978399 563457418 /nfs/dbraw/zinc/45/74/18/563457418.db2.gz LGONHTUKYCCELJ-OAHLLOKOSA-N 0 0 321.445 4.835 50 0 DJAARN O=C(CCc1ccccc1)Nc1ccccc1SC(F)F ZINC000032986547 563458756 /nfs/dbraw/zinc/45/87/56/563458756.db2.gz WSOGKMYNMGXMQO-UHFFFAOYSA-N 0 0 307.365 4.573 50 0 DJAARN Cc1cccc(NC(=O)c2cc(-c3ccc(F)c(C)c3)on2)c1C ZINC000033004689 563461372 /nfs/dbraw/zinc/46/13/72/563461372.db2.gz DEEAPYNWTARMER-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072028561 563465884 /nfs/dbraw/zinc/46/58/84/563465884.db2.gz XTRDOLNIEZLLAE-MQQKCMAXSA-N 0 0 314.772 4.598 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C ZINC000051354176 563468637 /nfs/dbraw/zinc/46/86/37/563468637.db2.gz KXBFXDCIIFDREP-UHFFFAOYSA-N 0 0 324.302 4.846 50 0 DJAARN Cc1ccc(-c2ocnc2C(=O)Nc2cccc(C)c2C)s1 ZINC000033049097 563478044 /nfs/dbraw/zinc/47/80/44/563478044.db2.gz CEGYYMBWVVNYGJ-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000058157860 563478760 /nfs/dbraw/zinc/47/87/60/563478760.db2.gz YRAMPCLNJSKYMO-HXUWFJFHSA-N 0 0 318.420 4.578 50 0 DJAARN CC(C)c1cc([C@H]2CCCN2Cc2ccccc2Cl)on1 ZINC000064984518 563486754 /nfs/dbraw/zinc/48/67/54/563486754.db2.gz YVYJPGHRCGDEEC-MRXNPFEDSA-N 0 0 304.821 4.789 50 0 DJAARN C[C@H](c1nccs1)n1ccnc1-c1ccccc1-c1ccco1 ZINC000067691094 563488679 /nfs/dbraw/zinc/48/86/79/563488679.db2.gz AMFFWXXCNQCJMG-CYBMUJFWSA-N 0 0 321.405 4.876 50 0 DJAARN Cc1cccnc1Cn1cnc(-c2ccccc2)c1-c1ccoc1 ZINC000067805000 563491706 /nfs/dbraw/zinc/49/17/06/563491706.db2.gz QHNQYBRZTZIHIX-UHFFFAOYSA-N 0 0 315.376 4.562 50 0 DJAARN Cc1nnc(-c2ccccc2-c2c(F)cccc2OC(C)C)o1 ZINC000067919916 563493335 /nfs/dbraw/zinc/49/33/35/563493335.db2.gz NSVUYLBKAMAEQV-UHFFFAOYSA-N 0 0 312.344 4.638 50 0 DJAARN CCc1cc(-c2c(Cl)cccc2OC)ccc1NC(C)=O ZINC000067982005 563495024 /nfs/dbraw/zinc/49/50/24/563495024.db2.gz SGISPLLABXECFG-UHFFFAOYSA-N 0 0 303.789 4.536 50 0 DJAARN Cc1cc(C)cc(-c2nnc3sc(C4CCCCC4)nn32)c1 ZINC000068742957 563495678 /nfs/dbraw/zinc/49/56/78/563495678.db2.gz PBTAPXAJPRMOMF-UHFFFAOYSA-N 0 0 312.442 4.517 50 0 DJAARN Cc1ccc(NC(=O)c2cccnc2-c2cccs2)cc1C ZINC000033139038 563496970 /nfs/dbraw/zinc/49/69/70/563496970.db2.gz QBAXANHPLIFFOV-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)NC1CCCC1 ZINC000033123626 563497183 /nfs/dbraw/zinc/49/71/83/563497183.db2.gz KWOPYIRDVBSPTG-UHFFFAOYSA-N 0 0 319.408 4.899 50 0 DJAARN CC(C)CNc1nc(-c2cccc(Br)c2)cs1 ZINC000070135854 563497317 /nfs/dbraw/zinc/49/73/17/563497317.db2.gz WSNSLNIKFLACBJ-UHFFFAOYSA-N 0 0 311.248 4.641 50 0 DJAARN C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000033193458 563500614 /nfs/dbraw/zinc/50/06/14/563500614.db2.gz PUNXNGRMEXMUSH-SSDOTTSWSA-N 0 0 318.200 4.685 50 0 DJAARN Cc1cccc(C(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000075282838 563504877 /nfs/dbraw/zinc/50/48/77/563504877.db2.gz LYTYTKCRBQDDKU-UHFFFAOYSA-N 0 0 301.389 4.842 50 0 DJAARN O=c1oc2c(cc(O)cc2-c2cc(Cl)ccc2Cl)s1 ZINC000000086619 563507801 /nfs/dbraw/zinc/50/78/01/563507801.db2.gz HFWWZMONJWAULP-UHFFFAOYSA-N 0 0 313.161 4.534 50 0 DJAARN O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077286218 563508221 /nfs/dbraw/zinc/50/82/21/563508221.db2.gz HZMORMRJFSOYKC-LJQANCHMSA-N 0 0 322.383 4.674 50 0 DJAARN C[C@H]1CC(C)(C)N(C(=O)Cc2ccc(F)cc2)c2ccccc21 ZINC000000048385 563512465 /nfs/dbraw/zinc/51/24/65/563512465.db2.gz MCPPMSTYMAKHSS-AWEZNQCLSA-N 0 0 311.400 4.687 50 0 DJAARN CC(=O)Oc1ccc(-c2csc(Nc3cccc(C)c3)n2)cc1 ZINC000000047254 563512552 /nfs/dbraw/zinc/51/25/52/563512552.db2.gz DTAGKLSFBXJSLY-UHFFFAOYSA-N 0 0 324.405 4.787 50 0 DJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 ZINC000000067948 563518459 /nfs/dbraw/zinc/51/84/59/563518459.db2.gz PAKXZFNYZMOIEJ-UHFFFAOYSA-N 0 0 322.795 4.582 50 0 DJAARN Clc1ccc(-c2csc(Br)n2)cc1Cl ZINC000085223908 563520375 /nfs/dbraw/zinc/52/03/75/563520375.db2.gz XHDJPQSBEIJGLG-UHFFFAOYSA-N 0 0 309.015 4.879 50 0 DJAARN Fc1cc(Cl)ccc1COc1ccc(Br)cc1 ZINC000086005600 563521227 /nfs/dbraw/zinc/52/12/27/563521227.db2.gz FRRZDZDTEAZNES-UHFFFAOYSA-N 0 0 315.569 4.821 50 0 DJAARN COc1cccc(CCC(=O)c2c(Cl)cccc2Cl)c1 ZINC000085651834 563521381 /nfs/dbraw/zinc/52/13/81/563521381.db2.gz BVVTZOWYAVQCIG-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1)C=CO2 ZINC000033321254 563522136 /nfs/dbraw/zinc/52/21/36/563522136.db2.gz FBRPLEVMSWSSPQ-UHFFFAOYSA-N 0 0 311.768 4.577 50 0 DJAARN CC(C)(C)C(=O)O[C@@H](c1ccccc1)c1nccc2ccccc21 ZINC000000072109 563522386 /nfs/dbraw/zinc/52/23/86/563522386.db2.gz CGKJOOIOEJWYLZ-IBGZPJMESA-N 0 0 319.404 4.914 50 0 DJAARN CCCCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000033328584 563522759 /nfs/dbraw/zinc/52/27/59/563522759.db2.gz RIEOHTICNKBBTA-UHFFFAOYSA-N 0 0 307.397 4.749 50 0 biogenic DJAARN COc1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000000078788 563523544 /nfs/dbraw/zinc/52/35/44/563523544.db2.gz BVEJJZAGYWGDOO-UHFFFAOYSA-N 0 0 300.361 4.677 50 0 DJAARN O=C(/C=C\c1cccc2ccccc12)N1CCCc2ccccc21 ZINC000033339456 563524172 /nfs/dbraw/zinc/52/41/72/563524172.db2.gz FPXRIYGFLAQUGX-PFONDFGASA-N 0 0 313.400 4.832 50 0 DJAARN COC(=O)c1c(C)oc2ccc(OCc3cc(C)ccc3C)cc21 ZINC000000083661 563525043 /nfs/dbraw/zinc/52/50/43/563525043.db2.gz CDZOBFLWOGKFQE-UHFFFAOYSA-N 0 0 324.376 4.724 50 0 DJAARN Cc1ccc(NC(=O)CSc2ccccc2Cl)c(F)c1 ZINC000011481253 563527630 /nfs/dbraw/zinc/52/76/30/563527630.db2.gz HFZVTDBIQZRVRC-UHFFFAOYSA-N 0 0 309.793 4.518 50 0 DJAARN CCC1(CC)O[C@H](c2ccc(NC(C)=O)cc2)Nc2ccccc21 ZINC000000089506 563527677 /nfs/dbraw/zinc/52/76/77/563527677.db2.gz HMFCOIDKYVOQRI-LJQANCHMSA-N 0 0 324.424 4.801 50 0 DJAARN CCC1(CC)O[C@@H](c2ccc(NC(C)=O)cc2)Nc2ccccc21 ZINC000000089508 563527692 /nfs/dbraw/zinc/52/76/92/563527692.db2.gz HMFCOIDKYVOQRI-IBGZPJMESA-N 0 0 324.424 4.801 50 0 DJAARN Cc1cc(F)cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000095067962 563528344 /nfs/dbraw/zinc/52/83/44/563528344.db2.gz AFOUGAHWNYFVSG-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN CCOc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccccc1 ZINC000000090187 563528447 /nfs/dbraw/zinc/52/84/47/563528447.db2.gz URAVNJQHLIJNSU-UHFFFAOYSA-N 0 0 321.420 4.794 50 0 DJAARN CC(C)(C)c1ccc(-n2cc3[nH]c4ccccc4cc-3c2=O)cc1 ZINC000096026291 563531377 /nfs/dbraw/zinc/53/13/77/563531377.db2.gz WLNVBPQBZOLGGN-UHFFFAOYSA-N 0 0 316.404 4.693 50 0 DJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000097155885 563537840 /nfs/dbraw/zinc/53/78/40/563537840.db2.gz SEBAYFQUTFKDPL-HNNXBMFYSA-N 0 0 309.365 4.620 50 0 DJAARN Cc1ccc2nc(C)cc(C(=O)N3CC[C@@H]3c3cccs3)c2c1 ZINC000097732698 563541942 /nfs/dbraw/zinc/54/19/42/563541942.db2.gz ACMXVTXCLBERBF-QGZVFWFLSA-N 0 0 322.433 4.500 50 0 DJAARN CCCCCOc1ccccc1C[C@H]1c2ccccc2NC1=O ZINC000101016530 563555710 /nfs/dbraw/zinc/55/57/10/563555710.db2.gz KTOUGPGOZXXOAK-KRWDZBQOSA-N 0 0 309.409 4.534 50 0 DJAARN COc1cccc(C2=NC(=S)C(c3ccc(Cl)cc3)N2)c1 ZINC000101426764 563557508 /nfs/dbraw/zinc/55/75/08/563557508.db2.gz CTXHXAVGIPJEGU-UHFFFAOYSA-N 0 0 316.813 4.694 50 0 DJAARN O[C@H](CN1C=CCc2ccccc21)c1ccc(Cl)cc1Cl ZINC000103060509 563560508 /nfs/dbraw/zinc/56/05/08/563560508.db2.gz SURZAHRCOBVXOC-QGZVFWFLSA-N 0 0 320.219 4.603 50 0 DJAARN Clc1ccc(-c2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000000102174 563567014 /nfs/dbraw/zinc/56/70/14/563567014.db2.gz FUKXTPALYUODEX-UHFFFAOYSA-N 0 0 323.827 4.941 50 0 DJAARN Cc1ccc(-c2nnc(NCc3ccco3)c3ccccc32)cc1 ZINC000000116702 563571019 /nfs/dbraw/zinc/57/10/19/563571019.db2.gz RDQIIMHWBSTYEY-UHFFFAOYSA-N 0 0 315.376 4.810 50 0 DJAARN CCCOc1ccc(C(=O)Cc2ccc3ccccc3n2)c(O)c1 ZINC000100183660 563571387 /nfs/dbraw/zinc/57/13/87/563571387.db2.gz JBAODIRXSAUZJM-XDHOZWIPSA-N 0 0 321.376 4.785 50 0 biogenic DJAARN CCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000000175345 563574752 /nfs/dbraw/zinc/57/47/52/563574752.db2.gz MSPWUVUNIQQBKE-UHFFFAOYSA-N 0 0 308.406 4.826 50 0 DJAARN Cc1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1 ZINC000000181204 563576268 /nfs/dbraw/zinc/57/62/68/563576268.db2.gz WRROGALKOLSSEJ-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000190910 563576868 /nfs/dbraw/zinc/57/68/68/563576868.db2.gz SSOINDOYGQIIFK-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Cc1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 ZINC000000192863 563577295 /nfs/dbraw/zinc/57/72/95/563577295.db2.gz XIEOTVFVRFDJPZ-UHFFFAOYSA-N 0 0 312.177 4.532 50 0 DJAARN CC(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000000193687 563577526 /nfs/dbraw/zinc/57/75/26/563577526.db2.gz GHTRLJPWZHXSEP-UHFFFAOYSA-N 0 0 310.378 4.561 50 0 DJAARN Cc1ccc(-c2cc(C(F)F)nc(N3CCC(C)CC3)n2)cc1 ZINC000000215019 563578432 /nfs/dbraw/zinc/57/84/32/563578432.db2.gz KOLFKNDMRPOIGS-UHFFFAOYSA-N 0 0 317.383 4.626 50 0 DJAARN C[C@H]1C[C@H](C)CN(c2ncnc3scc(-c4ccccc4)c32)C1 ZINC000000223267 563579528 /nfs/dbraw/zinc/57/95/28/563579528.db2.gz YUBHSEKYUPAOCY-KBPBESRZSA-N 0 0 323.465 4.841 50 0 DJAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1C ZINC000000245178 563581108 /nfs/dbraw/zinc/58/11/08/563581108.db2.gz AKGDZLJJJRKIID-UHFFFAOYSA-N 0 0 323.392 4.544 50 0 biogenic DJAARN CCC1CCC(C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000000241673 563581190 /nfs/dbraw/zinc/58/11/90/563581190.db2.gz AIRSPARDOLIERM-UHFFFAOYSA-N 0 0 324.262 4.912 50 0 DJAARN S=C(Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1 ZINC000000263562 563583678 /nfs/dbraw/zinc/58/36/78/563583678.db2.gz JKBAMUKXKNEXLN-AWEZNQCLSA-N 0 0 316.857 4.526 50 0 DJAARN Cc1cccn2cc(CSc3nc4ccccc4s3)nc12 ZINC000000276147 563584096 /nfs/dbraw/zinc/58/40/96/563584096.db2.gz HIKBQKLHMYJXSD-UHFFFAOYSA-N 0 0 311.435 4.545 50 0 DJAARN CC(=O)C[C@@H]1[C@](C)(OC(C)=O)CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000000298118 563586353 /nfs/dbraw/zinc/58/63/53/563586353.db2.gz XHETYBHZFONUCC-UKBAYJJMSA-N 0 0 308.462 4.530 50 0 DJAARN CC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)c(C)s1 ZINC000000314014 563587665 /nfs/dbraw/zinc/58/76/65/563587665.db2.gz HKMKQYKLHVJRKA-UHFFFAOYSA-N 0 0 308.406 4.744 50 0 DJAARN CCC[C@H](O)c1nc2ccccc2n1CCCc1ccccc1 ZINC000011692505 563587923 /nfs/dbraw/zinc/58/79/23/563587923.db2.gz ZUJFKRYPAGPSLO-IBGZPJMESA-N 0 0 308.425 4.503 50 0 DJAARN Clc1ccc2nc(-c3ccc(Br)cc3)cnc2c1 ZINC000000324935 563588952 /nfs/dbraw/zinc/58/89/52/563588952.db2.gz QBOBQLPQTZLKMY-UHFFFAOYSA-N 0 0 319.589 4.713 50 0 DJAARN Cc1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)c(C)c1 ZINC000033531125 563593955 /nfs/dbraw/zinc/59/39/55/563593955.db2.gz UESPRCIBVMFVMJ-BENRWUELSA-N 0 0 302.377 4.504 50 0 DJAARN CC[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000033745600 563596128 /nfs/dbraw/zinc/59/61/28/563596128.db2.gz KVNUPRACGMWHPF-RUEYPURISA-N 0 0 313.828 4.929 50 0 DJAARN Cc1nc2c3cc(Cl)ccc3oc2c(N2CCC(C)CC2)n1 ZINC000005156991 563600086 /nfs/dbraw/zinc/60/00/86/563600086.db2.gz MOBBLIKWRZPZAA-UHFFFAOYSA-N 0 0 315.804 4.574 50 0 DJAARN CC(C)n1c2ccccc2nc1[C@H](C)NCc1cccc(F)c1 ZINC000124419358 563600582 /nfs/dbraw/zinc/60/05/82/563600582.db2.gz SKPJIYCOHZLFKU-AWEZNQCLSA-N 0 0 311.404 4.607 50 0 DJAARN COc1ccc2oc(C)c(C(=O)Nc3c(C)cccc3C)c2c1 ZINC000011866472 563600628 /nfs/dbraw/zinc/60/06/28/563600628.db2.gz OOFMMPLTJUNLEF-UHFFFAOYSA-N 0 0 309.365 4.619 50 0 DJAARN Cc1ccc(CN(C(=O)c2ccc(C)cc2)c2ccccn2)cc1 ZINC000011914733 563601703 /nfs/dbraw/zinc/60/17/03/563601703.db2.gz NPRSAVZXAMBMER-UHFFFAOYSA-N 0 0 316.404 4.545 50 0 DJAARN CCCOc1ccc(C(=O)Nc2cccc3ccc(C)nc32)cc1 ZINC000011917572 563602228 /nfs/dbraw/zinc/60/22/28/563602228.db2.gz AHFGECCQIGISFL-UHFFFAOYSA-N 0 0 320.392 4.584 50 0 DJAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000011915674 563602238 /nfs/dbraw/zinc/60/22/38/563602238.db2.gz IRQYGDNXICAMQV-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915675 563602295 /nfs/dbraw/zinc/60/22/95/563602295.db2.gz VZWVRYBWYRRTMJ-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000000192667 563606865 /nfs/dbraw/zinc/60/68/65/563606865.db2.gz MLLNTKPFIDQYSV-HNNXBMFYSA-N 0 0 324.232 4.772 50 0 DJAARN COc1ccc(N[P@](C)(=O)Oc2ccc(Cl)cc2)cc1 ZINC000000203249 563610516 /nfs/dbraw/zinc/61/05/16/563610516.db2.gz NRJVBCVEBNZDOR-HXUWFJFHSA-N 0 0 311.705 4.662 50 0 DJAARN O=c1c2cc(Cl)ccc2[n-]c(=S)n1CCC1=CCCCC1 ZINC000000424975 563611985 /nfs/dbraw/zinc/61/19/85/563611985.db2.gz QQJMMIQHXQHJCN-UHFFFAOYSA-N 0 0 320.845 4.603 50 0 DJAARN CCCC1CCC(C2=N/C(=C/c3ccccc3F)C(=O)O2)CC1 ZINC000000430099 563613733 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Clc1ccc(CNc2ncnc3cc(Cl)ccc32)cc1 ZINC000001405659 563819578 /nfs/dbraw/zinc/81/95/78/563819578.db2.gz PHFWKCGVGNJCJJ-UHFFFAOYSA-N 0 0 304.180 4.549 50 0 DJAARN C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2cccs2)no1 ZINC000001420886 563822983 /nfs/dbraw/zinc/82/29/83/563822983.db2.gz UTWRMLQUPDTKNC-SECBINFHSA-N 0 0 306.774 4.592 50 0 DJAARN CCOC(=O)c1c(C)n(C2CCCCCC2)c2ccc(O)cc21 ZINC000001427063 563823738 /nfs/dbraw/zinc/82/37/38/563823738.db2.gz AAPTYJVSDFZHOJ-UHFFFAOYSA-N 0 0 315.413 4.727 50 0 DJAARN Cc1cccc(NC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000012754318 563825163 /nfs/dbraw/zinc/82/51/63/563825163.db2.gz AJCSHYPJHCXDAB-SFHVURJKSA-N 0 0 322.433 4.968 50 0 DJAARN COc1ccccc1Oc1ccc(NC(=O)CCC(C)C)cc1 ZINC000012770224 563827815 /nfs/dbraw/zinc/82/78/15/563827815.db2.gz IIKOTWSQRGXHEL-UHFFFAOYSA-N 0 0 313.397 4.862 50 0 DJAARN O=C(COC1CCCC1)OCc1sc2ccccc2c1Cl ZINC000084587763 563828097 /nfs/dbraw/zinc/82/80/97/563828097.db2.gz QUQJFZHOUUBABN-UHFFFAOYSA-N 0 0 324.829 4.557 50 0 DJAARN C[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccc1F ZINC000012782048 563830578 /nfs/dbraw/zinc/83/05/78/563830578.db2.gz XLVPMDNPFYTYDS-OAHLLOKOSA-N 0 0 319.379 4.984 50 0 DJAARN Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c(C)c1 ZINC000012808151 563835317 /nfs/dbraw/zinc/83/53/17/563835317.db2.gz YYORIQZQSRNUAQ-UHFFFAOYSA-N 0 0 316.404 4.981 50 0 DJAARN Cc1ccc(SC(=O)c2ccccc2Br)cc1 ZINC000001480036 563839355 /nfs/dbraw/zinc/83/93/55/563839355.db2.gz DRNCDCMNMZSDPD-UHFFFAOYSA-N 0 0 307.212 4.690 50 0 DJAARN O=C(NC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1 ZINC000000126151 563842496 /nfs/dbraw/zinc/84/24/96/563842496.db2.gz DEJTVRMHJYYZRH-UHFFFAOYSA-N 0 0 321.807 4.859 50 0 DJAARN O=C(Nc1ccccc1Cl)Oc1ccc(F)cc1Cl ZINC000000399208 563846175 /nfs/dbraw/zinc/84/61/75/563846175.db2.gz PRBVDOXQJWWDDY-UHFFFAOYSA-N 0 0 300.116 4.743 50 0 DJAARN C[Si](C)(C)[Si](c1ccccc1)([Si](C)(C)C)[Si](C)(C)C ZINC000169817991 563849479 /nfs/dbraw/zinc/84/94/79/563849479.db2.gz NLVCCJAWWLJRKO-UHFFFAOYSA-N 0 0 324.765 4.592 50 0 DJAARN O=C(NCC1CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000012932438 563856115 /nfs/dbraw/zinc/85/61/15/563856115.db2.gz SUMPFTKTNIJNFM-UHFFFAOYSA-N 0 0 319.326 4.512 50 0 DJAARN Cc1c2nc(Nc3nc4ccccc4[nH]3)sc2ccc1Cl ZINC000575444400 563858252 /nfs/dbraw/zinc/85/82/52/563858252.db2.gz WREUELCLOUSFDF-UHFFFAOYSA-N 0 0 314.801 4.878 50 0 DJAARN CC(C)Oc1ccc(NC(=O)N([C@H](C)C(C)C)C2CC2)c(F)c1 ZINC000075109900 563860451 /nfs/dbraw/zinc/86/04/51/563860451.db2.gz SHSNTUIFRNYXBN-CYBMUJFWSA-N 0 0 322.424 4.654 50 0 DJAARN O=C(Nc1ccccc1Cl)N1CCC(c2cccs2)CC1 ZINC000075157083 563861136 /nfs/dbraw/zinc/86/11/36/563861136.db2.gz CZFPUILTPUXWAE-UHFFFAOYSA-N 0 0 320.845 4.813 50 0 DJAARN Cc1ccccc1NC(=O)NCc1ccc(-c2cccs2)o1 ZINC000575607937 563865201 /nfs/dbraw/zinc/86/52/01/563865201.db2.gz FWCCXOCXNLDDOF-UHFFFAOYSA-N 0 0 312.394 4.638 50 0 DJAARN O=C(NCc1ccc(-c2cccs2)o1)c1ccc(Cl)s1 ZINC000575607990 563865338 /nfs/dbraw/zinc/86/53/38/563865338.db2.gz GYJAMHVWQDWZMT-UHFFFAOYSA-N 0 0 323.826 4.653 50 0 DJAARN CCc1ccc(C(=O)NCc2ccc(-c3ccsc3)o2)cc1 ZINC000575611067 563865662 /nfs/dbraw/zinc/86/56/62/563865662.db2.gz UGYWGUWULWRIHB-UHFFFAOYSA-N 0 0 311.406 4.501 50 0 DJAARN O=C1c2ccccc2CCC[C@@]12N=NC[C@@H]2c1ccc(Cl)cc1 ZINC000006243419 563866763 /nfs/dbraw/zinc/86/67/63/563866763.db2.gz AKOXLADCSNZXKU-MJGOQNOKSA-N 0 0 324.811 4.847 50 0 DJAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)C(C)C)cc21 ZINC000035536960 563872212 /nfs/dbraw/zinc/87/22/12/563872212.db2.gz RGVKAZOJMSRIMG-UHFFFAOYSA-N 0 0 320.392 4.505 50 0 DJAARN CCCCOc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1 ZINC000035672132 563874108 /nfs/dbraw/zinc/87/41/08/563874108.db2.gz KOZUFIPFNSTPTD-UHFFFAOYSA-N 0 0 324.380 4.591 50 0 DJAARN CC[C@@H](C)[C@@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000013007141 563875452 /nfs/dbraw/zinc/87/54/52/563875452.db2.gz ZBFICRVIOYLUIW-SJKOYZFVSA-N 0 0 303.352 4.733 50 0 DJAARN O=C(Cc1ccc2ccccc2c1)Nc1cccc2ncccc21 ZINC000013011864 563876113 /nfs/dbraw/zinc/87/61/13/563876113.db2.gz TWOQFIREXMGKPK-UHFFFAOYSA-N 0 0 312.372 4.569 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c1 ZINC000013021838 563876623 /nfs/dbraw/zinc/87/66/23/563876623.db2.gz RPUOOSWRTXDPJQ-GFCCVEGCSA-N 0 0 321.779 4.502 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c1 ZINC000013021840 563876664 /nfs/dbraw/zinc/87/66/64/563876664.db2.gz RPUOOSWRTXDPJQ-LBPRGKRZSA-N 0 0 321.779 4.502 50 0 DJAARN CCn1c(-c2ccc(F)cc2)csc1=Nc1ccc(C)cc1 ZINC000252671565 563876991 /nfs/dbraw/zinc/87/69/91/563876991.db2.gz NPDDNFHIQBWRDC-UHFFFAOYSA-N 0 0 312.413 4.916 50 0 DJAARN Cc1cc(OCCCC(=O)NC2CCCCCC2)ccc1Cl ZINC000001787171 563878596 /nfs/dbraw/zinc/87/85/96/563878596.db2.gz DWKBXGRIUFCXJE-UHFFFAOYSA-N 0 0 323.864 4.646 50 0 DJAARN CCC[C@H](C)c1c(-c2ccccc2)ncn1[C@H]1CC[C@H](O)CC1 ZINC000248199675 563883520 /nfs/dbraw/zinc/88/35/20/563883520.db2.gz UNCUQZOOANRHDM-SZMVWBNQSA-N 0 0 312.457 4.930 50 0 DJAARN CCc1nc(CNc2cccc(C3SCCS3)c2)cs1 ZINC000089289958 563884053 /nfs/dbraw/zinc/88/40/53/563884053.db2.gz JCCPKKIHTSAXNC-UHFFFAOYSA-N 0 0 322.524 4.796 50 0 DJAARN Cc1sc2ncnc(NCc3ccccc3Cl)c2c1C ZINC000001972873 563886812 /nfs/dbraw/zinc/88/68/12/563886812.db2.gz XSZQAESDNYYKCQ-UHFFFAOYSA-N 0 0 303.818 4.574 50 0 DJAARN Cc1coc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc12 ZINC000000383200 563886915 /nfs/dbraw/zinc/88/69/15/563886915.db2.gz RJHGLHPWHGEVRY-UHFFFAOYSA-N 0 0 304.345 4.747 50 0 aggregator,biogenic DJAARN CC[C@@H](C)NC(=O)c1cncc(-c2cccc(Cl)c2Cl)c1 ZINC000036348956 563896003 /nfs/dbraw/zinc/89/60/03/563896003.db2.gz NYXKHIJXUCIYNK-SNVBAGLBSA-N 0 0 323.223 4.584 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2C)c2cc(C)ccc2O1 ZINC000006843362 563896637 /nfs/dbraw/zinc/89/66/37/563896637.db2.gz RQPCINVKANFJMH-MRXNPFEDSA-N 0 0 324.424 4.821 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2ccc(C)c(C)c2)c2ccccc2O1 ZINC000006843974 563896713 /nfs/dbraw/zinc/89/67/13/563896713.db2.gz FHNJXKJXAGYNCZ-INIZCTEOSA-N 0 0 310.397 4.513 50 0 DJAARN CCc1ccc(NC(=O)N2C[C@H](C)Sc3ccccc32)cc1 ZINC000006876891 563897979 /nfs/dbraw/zinc/89/79/79/563897979.db2.gz IKZRHPOTDFTLIB-ZDUSSCGKSA-N 0 0 312.438 4.782 50 0 DJAARN Cc1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)n1 ZINC000036391518 563897990 /nfs/dbraw/zinc/89/79/90/563897990.db2.gz AWBUKBQENQOZKL-UHFFFAOYSA-N 0 0 312.438 4.677 50 0 DJAARN C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)c2ccccc2S1 ZINC000006876887 563898011 /nfs/dbraw/zinc/89/80/11/563898011.db2.gz VXSSIQUSFNDIFF-LLVKDONJSA-N 0 0 318.829 4.873 50 0 DJAARN Cc1c2cccc(F)c2oc1C(=O)Nc1cccc2cccnc21 ZINC000006881800 563898431 /nfs/dbraw/zinc/89/84/31/563898431.db2.gz ZFHOGWIYQGJTQM-UHFFFAOYSA-N 0 0 320.323 4.681 50 0 DJAARN CN(C(=O)C1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000006939567 563900186 /nfs/dbraw/zinc/90/01/86/563900186.db2.gz GLSXNPCOEMHWSE-UHFFFAOYSA-N 0 0 307.437 4.815 50 0 DJAARN CC[C@H](C(=O)Nc1cc(-c2ccsc2)no1)c1ccccc1 ZINC000065153142 563900385 /nfs/dbraw/zinc/90/03/85/563900385.db2.gz NEZZRVZVSYIGIT-AWEZNQCLSA-N 0 0 312.394 4.535 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000007045170 563901438 /nfs/dbraw/zinc/90/14/38/563901438.db2.gz ZLOWZWZKHOZCLC-UHFFFAOYSA-N 0 0 303.361 4.620 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000036620510 563901534 /nfs/dbraw/zinc/90/15/34/563901534.db2.gz AKPWVYVSGLTPPT-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000036620324 563901583 /nfs/dbraw/zinc/90/15/83/563901583.db2.gz GKKXQVGVHASYPH-BUMILGAPSA-N 0 0 323.480 4.875 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253595505 563902970 /nfs/dbraw/zinc/90/29/70/563902970.db2.gz FITXSLSRWNHDLI-SMPVXYKMSA-N 0 0 318.501 4.595 50 0 DJAARN c1c(CSc2ncnc3ccccc32)noc1-c1ccccc1 ZINC000007151792 563904027 /nfs/dbraw/zinc/90/40/27/563904027.db2.gz FZDYSKZMCRIXIJ-UHFFFAOYSA-N 0 0 319.389 4.577 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1 ZINC000007280422 563905111 /nfs/dbraw/zinc/90/51/11/563905111.db2.gz RTXPUAJFUDAYTN-UHFFFAOYSA-N 0 0 310.403 4.763 50 0 DJAARN O=C(Nc1ccncc1)c1ccccc1SCc1ccccc1 ZINC000007367060 563905325 /nfs/dbraw/zinc/90/53/25/563905325.db2.gz ZGXDOQWVZJHGQI-UHFFFAOYSA-N 0 0 320.417 4.626 50 0 DJAARN C[C@@H](NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000007538320 563908299 /nfs/dbraw/zinc/90/82/99/563908299.db2.gz RYJIIISCMQWCRW-LLVKDONJSA-N 0 0 318.829 4.907 50 0 DJAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c(C)o1 ZINC000170623159 563908848 /nfs/dbraw/zinc/90/88/48/563908848.db2.gz YUCBKSGBJITVAZ-LJQANCHMSA-N 0 0 322.408 4.745 50 0 DJAARN Cc1nc(Cl)cc(Nc2cccc(NC3CCCC3)c2)n1 ZINC000170631912 563908931 /nfs/dbraw/zinc/90/89/31/563908931.db2.gz BDNXMQACVZKICI-UHFFFAOYSA-N 0 0 302.809 4.537 50 0 DJAARN CCCc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013320238 563909424 /nfs/dbraw/zinc/90/94/24/563909424.db2.gz VBCKKJBFGDDRSC-CQSZACIVSA-N 0 0 314.404 4.969 50 0 DJAARN CCc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013320285 563909449 /nfs/dbraw/zinc/90/94/49/563909449.db2.gz OCHLJVWUHRANFB-CYBMUJFWSA-N 0 0 300.377 4.579 50 0 DJAARN Cc1c2ccccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000000057943 563912841 /nfs/dbraw/zinc/91/28/41/563912841.db2.gz DVTCIAWPGXYKMU-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 biogenic,in-vitro DJAARN CCCOc1ccccc1CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000002087508 563913673 /nfs/dbraw/zinc/91/36/73/563913673.db2.gz CXMQRCPGLWUBHZ-FQEVSTJZSA-N 0 0 324.468 4.640 50 0 biogenic DJAARN C[C@H]1CCC[C@H](C)N(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000170639051 563913955 /nfs/dbraw/zinc/91/39/55/563913955.db2.gz APUTVOPWWLJLEB-GJZGRUSLSA-N 0 0 320.436 4.972 50 0 DJAARN Cc1ccc(NC(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000000396688 563915477 /nfs/dbraw/zinc/91/54/77/563915477.db2.gz PIANLLYMKDCJRB-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN CCCCC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000007599249 563915702 /nfs/dbraw/zinc/91/57/02/563915702.db2.gz WGILWIKULRKRJW-UHFFFAOYSA-N 0 0 300.383 4.685 50 0 DJAARN COc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000007609887 563917175 /nfs/dbraw/zinc/91/71/75/563917175.db2.gz XUFMYFTYHOOIBJ-KRWDZBQOSA-N 0 0 317.816 4.727 50 0 DJAARN CC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000007608356 563917226 /nfs/dbraw/zinc/91/72/26/563917226.db2.gz WYENDKTZCQISGJ-UHFFFAOYSA-N 0 0 315.372 4.809 50 0 DJAARN Clc1ccc2cccnc2c1Cn1cc(-c2ccccc2)cn1 ZINC000065947989 563918543 /nfs/dbraw/zinc/91/85/43/563918543.db2.gz WVLSCYDMNCNKOK-UHFFFAOYSA-N 0 0 319.795 4.800 50 0 DJAARN COc1cc(C)ccc1OCc1cncc(-c2ccccc2)c1 ZINC000037553853 563918707 /nfs/dbraw/zinc/91/87/07/563918707.db2.gz VVEKLXHKRKNMOV-UHFFFAOYSA-N 0 0 305.377 4.645 50 0 DJAARN C=C=C/C=C/C=C/Oc1cc(CO)ccc1O/C=C\C=C\C=C=C ZINC000252627168 563919464 /nfs/dbraw/zinc/91/94/64/563919464.db2.gz ROBDYPVGKAOPPZ-PXGXKWQUSA-N 0 0 320.388 4.759 50 0 DJAARN O=C(c1ccccc1)N(Cc1ccccc1)CC1CCCCC1 ZINC000002275990 563921136 /nfs/dbraw/zinc/92/11/36/563921136.db2.gz OVXKBVJJQYMDFS-UHFFFAOYSA-N 0 0 307.437 4.909 50 0 DJAARN Clc1ccc(-c2cn3c(n2)COc2ccc(Cl)cc2-3)cc1 ZINC000019926423 563923707 /nfs/dbraw/zinc/92/37/07/563923707.db2.gz WOCWDYLZFSQNHD-UHFFFAOYSA-N 0 0 317.175 4.739 50 0 DJAARN CC(C)(C)c1ccc(-c2nc(=S)[nH]n2-c2ccccc2)cc1 ZINC000095836535 563924240 /nfs/dbraw/zinc/92/42/40/563924240.db2.gz XYHYNSZPRDTXPP-UHFFFAOYSA-N 0 0 309.438 4.521 50 0 DJAARN CCCCCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000002301744 563925841 /nfs/dbraw/zinc/92/58/41/563925841.db2.gz WSUFLAOXQXIBFZ-UHFFFAOYSA-N 0 0 320.392 4.783 50 0 DJAARN Cc1nc2c3cc(F)ccc3n(Cc3ccccc3F)c2s1 ZINC000002347783 563926274 /nfs/dbraw/zinc/92/62/74/563926274.db2.gz XZSWMOGBJYCTIL-UHFFFAOYSA-N 0 0 314.360 4.886 50 0 DJAARN CC(C)c1ccc(S[C@H](C)C(=O)NCc2cccs2)cc1 ZINC000027684348 563927480 /nfs/dbraw/zinc/92/74/80/563927480.db2.gz KZNUOFYQFRAPBP-CYBMUJFWSA-N 0 0 319.495 4.669 50 0 DJAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000007944227 563928761 /nfs/dbraw/zinc/92/87/61/563928761.db2.gz MESWREHHYVIVKD-UHFFFAOYSA-N 0 0 317.388 4.750 50 0 DJAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc(F)c1 ZINC000007944958 563928880 /nfs/dbraw/zinc/92/88/80/563928880.db2.gz VWOISRMWSKWEIV-UHFFFAOYSA-N 0 0 321.351 4.581 50 0 DJAARN Cc1ccc(F)cc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000007950529 563928912 /nfs/dbraw/zinc/92/89/12/563928912.db2.gz GXXUBDXQZWYCSA-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(F)c1 ZINC000007945003 563928939 /nfs/dbraw/zinc/92/89/39/563928939.db2.gz ROTABWAPJXHZDK-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN O=C(/C=C\c1cccc2ccccc12)Nc1ccc(F)cc1F ZINC000012961366 563929108 /nfs/dbraw/zinc/92/91/08/563929108.db2.gz LQTAZGRNFQNQAX-FLIBITNWSA-N 0 0 309.315 4.770 50 0 DJAARN CCc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 ZINC000013002505 563929118 /nfs/dbraw/zinc/92/91/18/563929118.db2.gz LEBUVNGYEUGHAI-UHFFFAOYSA-N 0 0 314.435 4.686 50 0 DJAARN Cc1ccc(C)c(Nc2c(-c3cccs3)nc3ncccn32)c1 ZINC000013365797 563929444 /nfs/dbraw/zinc/92/94/44/563929444.db2.gz ILRVPRLEUMXCFQ-UHFFFAOYSA-N 0 0 320.421 4.818 50 0 DJAARN CC(C)(C)n1c(-c2ccccc2)cs/c1=N\Cc1ccco1 ZINC000013400940 563929561 /nfs/dbraw/zinc/92/95/61/563929561.db2.gz YZFXPHADFFWQGD-ZPHPHTNESA-N 0 0 312.438 4.666 50 0 DJAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1cccc(Cl)c1 ZINC000390828239 563930685 /nfs/dbraw/zinc/93/06/85/563930685.db2.gz AMFVPOHBNKTKIT-UHFFFAOYSA-N 0 0 311.768 4.530 50 0 DJAARN CC[C@H]1CCCCN1C(=O)Nc1ccccc1OCC(C)C ZINC000095352055 563931079 /nfs/dbraw/zinc/93/10/79/563931079.db2.gz GNWFTQWTFKSMKT-HNNXBMFYSA-N 0 0 304.434 4.518 50 0 DJAARN Cc1nscc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000095458332 563931649 /nfs/dbraw/zinc/93/16/49/563931649.db2.gz GLPPBRYBBSFCGD-CYBMUJFWSA-N 0 0 322.433 4.610 50 0 DJAARN C[C@@H](c1ccc(C(F)(F)F)cc1)[S@@](=O)C1CCCCC1 ZINC000095962101 563932543 /nfs/dbraw/zinc/93/25/43/563932543.db2.gz MGMLANBTRXTILC-YBTHPKLGSA-N 0 0 304.377 4.848 50 0 DJAARN CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967730 563932920 /nfs/dbraw/zinc/93/29/20/563932920.db2.gz RUEBLISWSAAMQH-CHWSQXEVSA-N 0 0 307.846 4.835 50 0 DJAARN Cc1noc(C)c1CCSC1=Nc2ccccc2CS1 ZINC000095975000 563933710 /nfs/dbraw/zinc/93/37/10/563933710.db2.gz BUEKAGWAEPIMMT-UHFFFAOYSA-N 0 0 304.440 4.502 50 0 DJAARN 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/nfs/dbraw/zinc/22/22/01/185222201.db2.gz UGQCSMASXCUSRE-UHFFFAOYSA-N 0 0 305.377 4.645 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1ccc(SC)cc1OC ZINC000000456644 190613988 /nfs/dbraw/zinc/61/39/88/190613988.db2.gz FRSLDMVBXOMFQT-UHFFFAOYSA-N 0 0 315.438 4.540 50 0 DJAARN CC(=O)c1sc2ccccc2c1OC(=O)C=Cc1ccccc1 ZINC000000503697 190615168 /nfs/dbraw/zinc/61/51/68/190615168.db2.gz FDRVKWHDSKTPGU-VAWYXSNFSA-N 0 0 322.385 4.723 50 0 DJAARN C[C@H](NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006852836 190625101 /nfs/dbraw/zinc/62/51/01/190625101.db2.gz ZIDXGCZOAAYGIC-UHSVVUDUSA-N 0 0 317.860 4.675 50 0 DJAARN COc1ccc(/C=C\c2ccc3ccc(Cl)cc3n2)cc1O ZINC000096973255 185395039 /nfs/dbraw/zinc/39/50/39/185395039.db2.gz BALIWMQSDZLLMT-UQCOIBPSSA-N 0 0 311.768 4.773 50 0 DJAARN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000095396271 185352962 /nfs/dbraw/zinc/35/29/62/185352962.db2.gz FWUWCRDCCKOVLC-ZWNOBZJWSA-N 0 0 316.228 4.527 50 0 DJAARN CC(C)n1cc([C@H](C)N[C@H](C)c2nc(C(C)(C)C)cs2)cn1 ZINC000095422099 185360929 /nfs/dbraw/zinc/36/09/29/185360929.db2.gz AMZFBLPMXUHSID-QWHCGFSZSA-N 0 0 320.506 4.630 50 0 DJAARN Fc1ccc2c(c1)[C@@H](Nc1cccc(N3CCCCC3)c1)CC2 ZINC000097011519 185397060 /nfs/dbraw/zinc/39/70/60/185397060.db2.gz OJGSYQVDDRUROD-FQEVSTJZSA-N 0 0 310.416 4.915 50 0 DJAARN Cc1cccc(F)c1NC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000095466936 185372132 /nfs/dbraw/zinc/37/21/32/185372132.db2.gz ZCXRTPJIEOINMZ-LBPRGKRZSA-N 0 0 312.344 4.763 50 0 DJAARN Cc1cccc(C)c1NC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968249 190706269 /nfs/dbraw/zinc/70/62/69/190706269.db2.gz WLUPVODBOPAKAA-UHFFFAOYSA-N 0 0 308.381 4.820 50 0 DJAARN Clc1ccc2nc(Sc3cccc4cccnc43)cn2c1 ZINC000226794562 201787381 /nfs/dbraw/zinc/78/73/81/201787381.db2.gz RIGLYGOWCGHMOR-UHFFFAOYSA-N 0 0 311.797 4.687 50 0 DJAARN CCN(C(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000230138577 201865579 /nfs/dbraw/zinc/86/55/79/201865579.db2.gz LKBVGOCKALRVNB-UHFFFAOYSA-N 0 0 308.208 4.589 50 0 DJAARN Cc1c2cc(CNC(=O)C(C)C)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071751665 191023606 /nfs/dbraw/zinc/02/36/06/191023606.db2.gz XPGXXSHKMLBPBP-UHFFFAOYSA-N 0 0 324.399 4.555 50 0 DJAARN CN1c2ccccc2[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000071769996 191030074 /nfs/dbraw/zinc/03/00/74/191030074.db2.gz FUMZSKYJQCNQJG-SFTDATJTSA-N 0 0 313.400 4.844 50 0 DJAARN CC(=O)c1cc(CN2CCCC[C@H]2c2cccc(F)c2)cs1 ZINC000072139133 191048044 /nfs/dbraw/zinc/04/80/44/191048044.db2.gz RAXCSQXBWNIAOE-KRWDZBQOSA-N 0 0 317.429 4.817 50 0 DJAARN CCOC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000072193627 191072926 /nfs/dbraw/zinc/07/29/26/191072926.db2.gz OGTKLUNGPFQWFR-GQCTYLIASA-N 0 0 311.164 4.830 50 0 DJAARN Cc1ccc(CNc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000072240732 191084124 /nfs/dbraw/zinc/08/41/24/191084124.db2.gz RNRSQTRPEIAXGG-UHFFFAOYSA-N 0 0 317.314 4.569 50 0 DJAARN Cc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000072240694 191084584 /nfs/dbraw/zinc/08/45/84/191084584.db2.gz GBUAWPFGYLKKFK-UHFFFAOYSA-N 0 0 303.287 4.701 50 0 DJAARN Cc1cccc(-c2cccc(C(=O)NCc3cccs3)c2)c1 ZINC000072264645 191090290 /nfs/dbraw/zinc/09/02/90/191090290.db2.gz DNQUYPIPMKODJQ-UHFFFAOYSA-N 0 0 307.418 4.654 50 0 DJAARN COc1ccc(NC(=O)c2cc(-c3ccco3)cs2)c(C)c1 ZINC000072259961 191089180 /nfs/dbraw/zinc/08/91/80/191089180.db2.gz MANDLPYEGKPUMS-UHFFFAOYSA-N 0 0 313.378 4.577 50 0 DJAARN CCCOc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000072331643 191124918 /nfs/dbraw/zinc/12/49/18/191124918.db2.gz AJFTZJPPZKOHGW-UHFFFAOYSA-N 0 0 311.425 4.529 50 0 DJAARN CCOc1ccc2cc(-c3ccccc3Cl)c(=O)oc2c1 ZINC000000058106 180680367 /nfs/dbraw/zinc/68/03/67/180680367.db2.gz GIFPGRLKDGPYAR-UHFFFAOYSA-N 0 0 300.741 4.512 50 0 DJAARN Cc1ccc(C)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000000038587 180674811 /nfs/dbraw/zinc/67/48/11/180674811.db2.gz XXQQYQHMVJMOPW-UHFFFAOYSA-N 0 0 311.425 4.753 50 0 DJAARN Cc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1 ZINC000000042859 180676037 /nfs/dbraw/zinc/67/60/37/180676037.db2.gz AGBJMTQPMLUICF-BXUZGUMPSA-N 0 0 312.240 4.833 50 0 DJAARN Cc1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000000042705 180676045 /nfs/dbraw/zinc/67/60/45/180676045.db2.gz JKGRRSNXGDZXRY-UHFFFAOYSA-N 0 0 323.223 4.661 50 0 DJAARN COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000042194 180676079 /nfs/dbraw/zinc/67/60/79/180676079.db2.gz MTPWIKWFQJNZPR-UHFFFAOYSA-N 0 0 317.797 4.816 50 0 DJAARN Brc1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000000045562 180676574 /nfs/dbraw/zinc/67/65/74/180676574.db2.gz SSZXTFFESFXOKA-UHFFFAOYSA-N 0 0 319.227 4.618 50 0 DJAARN Clc1ccc(-c2cn3nc(-c4ccccc4)sc3n2)cc1 ZINC000000053786 180679315 /nfs/dbraw/zinc/67/93/15/180679315.db2.gz IJGRPRIWZOLJDN-UHFFFAOYSA-N 0 0 311.797 4.778 50 0 DJAARN CC(C)(C)c1ccc(COc2ccc3ccc(=O)oc3c2)cc1 ZINC000000082481 180686775 /nfs/dbraw/zinc/68/67/75/180686775.db2.gz MIALNKMGKVTBIW-UHFFFAOYSA-N 0 0 308.377 4.670 50 0 biogenic DJAARN Cc1cc2c(cc1C)[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000000090329 180689088 /nfs/dbraw/zinc/68/90/88/180689088.db2.gz ROWDPLKMJQGPHL-AWEZNQCLSA-N 0 0 319.326 4.796 50 0 DJAARN COc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc32)cc1 ZINC000000095260 180690808 /nfs/dbraw/zinc/69/08/08/180690808.db2.gz JJYXDDJOEOVJAD-UHFFFAOYSA-N 0 0 306.317 4.523 50 0 biogenic DJAARN Cc1cccc(-c2noc(COc3ccc(Cl)cc3C)n2)c1 ZINC000000099427 180691937 /nfs/dbraw/zinc/69/19/37/180691937.db2.gz HQYMQIRIHOKXFW-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000115569 180697634 /nfs/dbraw/zinc/69/76/34/180697634.db2.gz WMGKMPFOQONOCY-SNVBAGLBSA-N 0 0 321.207 4.977 50 0 DJAARN S=c1nc[nH]c2scc(-c3ccc(Br)cc3)c21 ZINC000000132328 180703499 /nfs/dbraw/zinc/70/34/99/180703499.db2.gz YHAFHQXSBPFUKB-UHFFFAOYSA-N 0 0 323.240 4.783 50 0 DJAARN O=C(Oc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000000133173 180704226 /nfs/dbraw/zinc/70/42/26/180704226.db2.gz YNRYUTQJXXLDDX-UHFFFAOYSA-N 0 0 307.132 4.959 50 0 DJAARN CCCCc1nc(CN2CCCC[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000072462978 191172148 /nfs/dbraw/zinc/17/21/48/191172148.db2.gz IJAOKHOSFOKMOP-GOSISDBHSA-N 0 0 315.436 4.619 50 0 DJAARN CC(C)N(C(=O)/C=C/c1c(Cl)cccc1Cl)C(C)C ZINC000000146010 180707539 /nfs/dbraw/zinc/70/75/39/180707539.db2.gz ZJUTXLLWKOKRJI-CMDGGOBGSA-N 0 0 300.229 4.652 50 0 DJAARN C[C@H](Nc1cc(-c2ccccc2)nc2ccnn21)c1ccsc1 ZINC000072463171 191174072 /nfs/dbraw/zinc/17/40/72/191174072.db2.gz QJBQWTBTFFUFKS-ZDUSSCGKSA-N 0 0 320.421 4.631 50 0 DJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000000146634 180708284 /nfs/dbraw/zinc/70/82/84/180708284.db2.gz TTZLHHXRYFTEHO-UHFFFAOYSA-N 0 0 303.361 4.518 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2ncsc2c1 ZINC000000169226 180713641 /nfs/dbraw/zinc/71/36/41/180713641.db2.gz CTIBXQWRSHKCSZ-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)c1cc2ccccc2o1 ZINC000000191696 180720402 /nfs/dbraw/zinc/72/04/02/180720402.db2.gz YMRANRSDTKPEGF-UHFFFAOYSA-N 0 0 306.148 4.992 50 0 DJAARN O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc21 ZINC000000191136 180720721 /nfs/dbraw/zinc/72/07/21/180720721.db2.gz YOBBOVRZEZSALX-UHFFFAOYSA-N 0 0 304.393 4.914 50 0 DJAARN CCc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1 ZINC000000193655 180721802 /nfs/dbraw/zinc/72/18/02/180721802.db2.gz RMMSNXGSRLVESZ-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN c1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000000199226 180722758 /nfs/dbraw/zinc/72/27/58/180722758.db2.gz VBFULQQOJRQIDU-UHFFFAOYSA-N 0 0 315.420 4.801 50 0 DJAARN COc1ccc([C@H]2CC(=O)c3c(ccc4ccccc43)N2)cc1 ZINC000000276230 180745095 /nfs/dbraw/zinc/74/50/95/180745095.db2.gz FWQWHKGLFNZQQI-GOSISDBHSA-N 0 0 303.361 4.588 50 0 DJAARN O=C(NC1c2ccccc2Oc2ccccc21)C1CCCCC1 ZINC000000285458 180748065 /nfs/dbraw/zinc/74/80/65/180748065.db2.gz YQSLCPKBTCPULK-UHFFFAOYSA-N 0 0 307.393 4.578 50 0 DJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 ZINC000000304481 180753698 /nfs/dbraw/zinc/75/36/98/180753698.db2.gz FCVJMVKBADHUSC-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000000317929 180758030 /nfs/dbraw/zinc/75/80/30/180758030.db2.gz TYFCLVQQJBMZIW-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000000317347 180758271 /nfs/dbraw/zinc/75/82/71/180758271.db2.gz KIPYGIUIVZDUQV-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Nc1ccc(-c2csc(Nc3ccccc3Cl)n2)cc1 ZINC000000321703 180759615 /nfs/dbraw/zinc/75/96/15/180759615.db2.gz YMWYTLNJMLVBJL-UHFFFAOYSA-N 0 0 301.802 4.789 50 0 DJAARN CCOc1cc(C=O)ccc1OCc1ccc2ccccc2c1 ZINC000000333948 180760724 /nfs/dbraw/zinc/76/07/24/180760724.db2.gz STVLJVGENKDGBP-UHFFFAOYSA-N 0 0 306.361 4.630 50 0 DJAARN C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000000369834 180769561 /nfs/dbraw/zinc/76/95/61/180769561.db2.gz PSBPOAYCRTVHOS-UWVGGRQHSA-N 0 0 301.217 4.503 50 0 DJAARN O=C(NC1CCCCCCC1)c1c(Cl)cccc1Cl ZINC000000376376 180770670 /nfs/dbraw/zinc/77/06/70/180770670.db2.gz VDADHGBUCWZQNI-UHFFFAOYSA-N 0 0 300.229 4.836 50 0 DJAARN CCN(CC)c1ccc(NC(=O)c2cccc(Cl)c2)c(C)c1 ZINC000000364258 180767672 /nfs/dbraw/zinc/76/76/72/180767672.db2.gz FMNDEGOHZNJXEY-UHFFFAOYSA-N 0 0 316.832 4.747 50 0 DJAARN Cc1ccc(NC(=S)Nc2ccccc2)c(Br)c1 ZINC000000405872 180777945 /nfs/dbraw/zinc/77/79/45/180777945.db2.gz ISKROPZRMFFRSM-UHFFFAOYSA-N 0 0 321.243 4.566 50 0 DJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000000407551 180778575 /nfs/dbraw/zinc/77/85/75/180778575.db2.gz CHLIRLOUZUPINS-LBPRGKRZSA-N 0 0 322.235 4.745 50 0 DJAARN CCc1cc2c(cc1OC)occ(-c1cc3ccccc3o1)c2=O ZINC000000407267 180778672 /nfs/dbraw/zinc/77/86/72/180778672.db2.gz RDNTZLNKGIDVLW-UHFFFAOYSA-N 0 0 320.344 4.777 50 0 biogenic DJAARN Cc1cc(C)cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000000442569 180792372 /nfs/dbraw/zinc/79/23/72/180792372.db2.gz QMNIMZKPYMRCDA-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN Cc1cc2ncn(C(=O)c3ccc(C(C)(C)C)cc3)c2cc1C ZINC000000441701 180791676 /nfs/dbraw/zinc/79/16/76/180791676.db2.gz OAXOMFSQBFMIAN-UHFFFAOYSA-N 0 0 306.409 4.639 50 0 DJAARN CCc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000000441694 180792052 /nfs/dbraw/zinc/79/20/52/180792052.db2.gz MCOPNZCJZUHWSD-UHFFFAOYSA-N 0 0 317.816 4.537 50 0 DJAARN CC(C)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000000473259 180802207 /nfs/dbraw/zinc/80/22/07/180802207.db2.gz XFTPTCXGHITSTI-ZDUSSCGKSA-N 0 0 317.816 4.869 50 0 DJAARN Cc1ccccc1CSc1nnc2sc3ccccc3n12 ZINC000000475424 180802540 /nfs/dbraw/zinc/80/25/40/180802540.db2.gz IGDVIQSNEORZED-UHFFFAOYSA-N 0 0 311.435 4.545 50 0 DJAARN COc1cccc(C(=O)COc2ccc(-c3ccccc3)cc2)c1 ZINC000000475575 180802908 /nfs/dbraw/zinc/80/29/08/180802908.db2.gz AMHIBQTXMCPGAW-UHFFFAOYSA-N 0 0 318.372 4.624 50 0 DJAARN CC(C)=CCOc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000000488797 180806176 /nfs/dbraw/zinc/80/61/76/180806176.db2.gz ZCISSROMIKZIAC-UHFFFAOYSA-N 0 0 306.361 4.805 50 0 biogenic DJAARN CC(C)c1ccc([C@@H](O)c2nc3ccccc3n2C(C)C)cc1 ZINC000000520123 180811486 /nfs/dbraw/zinc/81/14/86/180811486.db2.gz YFRSTFUDGNKZSS-LJQANCHMSA-N 0 0 308.425 4.822 50 0 DJAARN S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCCC1 ZINC000000534675 180815894 /nfs/dbraw/zinc/81/58/94/180815894.db2.gz RHOUQNYNRSDWAQ-UHFFFAOYSA-N 0 0 311.454 4.659 50 0 DJAARN C[C@@H]1CCc2c(C(=O)Nc3ccccc3Cl)csc2C1 ZINC000000534554 180816052 /nfs/dbraw/zinc/81/60/52/180816052.db2.gz WUCIJDVASVHEQK-SNVBAGLBSA-N 0 0 305.830 4.779 50 0 DJAARN CCc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 ZINC000000588391 180827336 /nfs/dbraw/zinc/82/73/36/180827336.db2.gz BKJBZFJETUDRBL-HNNXBMFYSA-N 0 0 311.425 4.780 50 0 DJAARN CCCC(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 ZINC000000570245 180823710 /nfs/dbraw/zinc/82/37/10/180823710.db2.gz DKZOFNFXEWMRFD-UHFFFAOYSA-N 0 0 308.381 4.850 50 0 DJAARN CC(=O)c1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000001006393 180840321 /nfs/dbraw/zinc/84/03/21/180840321.db2.gz DDNKWVVDWNXBIH-OAHLLOKOSA-N 0 0 323.436 4.830 50 0 DJAARN CCC1(CC)O[C@@H](c2ccc3c(c2)OCO3)Nc2ccccc21 ZINC000001021205 180841521 /nfs/dbraw/zinc/84/15/21/180841521.db2.gz XGGAVEYTHPMTQM-SFHVURJKSA-N 0 0 311.381 4.572 50 0 DJAARN C[C@@H](NC(=O)[C@@H](c1ccccc1)C1CCCC1)c1ccccc1 ZINC000001018269 180841846 /nfs/dbraw/zinc/84/18/46/180841846.db2.gz RNOKLMGWSZNXNL-UZLBHIALSA-N 0 0 307.437 4.838 50 0 DJAARN O=C(Cc1ccc(CC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000001038953 180842357 /nfs/dbraw/zinc/84/23/57/180842357.db2.gz WTTYGEYABZWCRM-UHFFFAOYSA-N 0 0 314.384 4.537 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2c(C)c(Cl)c(C)nc2Cl)c1 ZINC000001079415 180845736 /nfs/dbraw/zinc/84/57/36/180845736.db2.gz RJLCAIRATLZWIX-UHFFFAOYSA-N 0 0 323.223 4.874 50 0 DJAARN C[C@H](NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 ZINC000001119646 180847464 /nfs/dbraw/zinc/84/74/64/180847464.db2.gz FQWBNIHJIAGAOG-INIZCTEOSA-N 0 0 303.405 4.650 50 0 DJAARN Cc1cccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c1 ZINC000001142073 180847971 /nfs/dbraw/zinc/84/79/71/180847971.db2.gz XZVSQTNNETYTMV-UHFFFAOYSA-N 0 0 315.416 4.940 50 0 DJAARN CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000001200728 180849233 /nfs/dbraw/zinc/84/92/33/180849233.db2.gz UFWNIBKHXKWOEQ-UHFFFAOYSA-N 0 0 318.420 4.692 50 0 DJAARN C[C@H](Oc1cccc(Cl)c1)c1nc(-c2cccs2)no1 ZINC000001420885 180863832 /nfs/dbraw/zinc/86/38/32/180863832.db2.gz UTWRMLQUPDTKNC-VIFPVBQESA-N 0 0 306.774 4.592 50 0 DJAARN Cc1c2cc(Br)ccc2oc1C(=O)c1ccccc1 ZINC000001384998 180857847 /nfs/dbraw/zinc/85/78/47/180857847.db2.gz YJDPYIDFDKPFDU-UHFFFAOYSA-N 0 0 315.166 4.735 50 0 DJAARN Cn1c2cc(Cl)c(Cl)cc2nc1-c1ccc(Cl)nc1 ZINC000001383369 180858142 /nfs/dbraw/zinc/85/81/42/180858142.db2.gz PJQZBVVBBPDYSO-UHFFFAOYSA-N 0 0 312.587 4.596 50 0 DJAARN c1cn(Cc2ccccc2)nc1-c1cnc(-c2ccccc2)s1 ZINC000001389017 180858956 /nfs/dbraw/zinc/85/89/56/180858956.db2.gz YBGHYHKRKJSQHV-UHFFFAOYSA-N 0 0 317.417 4.722 50 0 DJAARN FC(F)(F)c1cccc(SCc2nnsc2Cl)c1 ZINC000001391550 180859647 /nfs/dbraw/zinc/85/96/47/180859647.db2.gz OFUJHSJJGXVWRT-UHFFFAOYSA-N 0 0 310.753 4.503 50 0 DJAARN O=C(c1cc(-c2ccc(Cl)cc2)cs1)N1CCCCC1 ZINC000001501432 180870228 /nfs/dbraw/zinc/87/02/28/180870228.db2.gz DUROCQSHUDNRIO-UHFFFAOYSA-N 0 0 305.830 4.695 50 0 DJAARN CC(C)CN(CC(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000001600162 180877493 /nfs/dbraw/zinc/87/74/93/180877493.db2.gz BVDQKFOKPUPZER-UHFFFAOYSA-N 0 0 302.245 4.748 50 0 DJAARN CCCCOC(=O)[C@@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000001778835 180895993 /nfs/dbraw/zinc/89/59/93/180895993.db2.gz GWDGVWLSZSXEIK-MRXNPFEDSA-N 0 0 312.409 4.773 50 0 DJAARN CC(C)(C)N1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1 ZINC000002027615 180907028 /nfs/dbraw/zinc/90/70/28/180907028.db2.gz SHTYVXCWVYUPRM-QGZVFWFLSA-N 0 0 314.816 4.831 50 0 DJAARN CCCCOc1ccc(-c2nc(C3CCCCC3)no2)cc1 ZINC000002064044 180908799 /nfs/dbraw/zinc/90/87/99/180908799.db2.gz USNXYFNGYVISPC-UHFFFAOYSA-N 0 0 300.402 4.963 50 0 DJAARN CCc1ccccc1NC(=O)CCCOc1ccc(C)cc1C ZINC000001913881 180901666 /nfs/dbraw/zinc/90/16/66/180901666.db2.gz MBIGPVGXVTWCKS-UHFFFAOYSA-N 0 0 311.425 4.664 50 0 DJAARN Cc1ccc(OCCSc2nc3ccccc3s2)cc1 ZINC000002125308 180911732 /nfs/dbraw/zinc/91/17/32/180911732.db2.gz VRZYDZRRRUPXIO-UHFFFAOYSA-N 0 0 301.436 4.776 50 0 DJAARN CCCCC(=O)Nc1ccc(NCc2ccc(C)s2)cc1 ZINC000002145764 180912449 /nfs/dbraw/zinc/91/24/49/180912449.db2.gz FQEZIFOGGOBEEJ-UHFFFAOYSA-N 0 0 302.443 4.797 50 0 biogenic DJAARN O=C(N[C@H]1CCCc2ccccc21)C1(c2ccccc2)CCCC1 ZINC000002512676 180929178 /nfs/dbraw/zinc/92/91/78/180929178.db2.gz KPALUINQRFAWFI-FQEVSTJZSA-N 0 0 319.448 4.692 50 0 DJAARN COc1ccccc1CCC(=O)c1cccc(C(F)(F)F)c1 ZINC000002516473 180929997 /nfs/dbraw/zinc/92/99/97/180929997.db2.gz MRMBDULAQJGHNN-UHFFFAOYSA-N 0 0 308.299 4.530 50 0 DJAARN O=C(CCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000002517279 180930737 /nfs/dbraw/zinc/93/07/37/180930737.db2.gz AAQWRXMBFZVSIQ-UHFFFAOYSA-N 0 0 323.617 4.918 50 0 DJAARN Brc1ccc(-c2ccccc2)c(Br)c1 ZINC000002521522 180931501 /nfs/dbraw/zinc/93/15/01/180931501.db2.gz BWVLLEHUUJBZMR-UHFFFAOYSA-N 0 0 312.004 4.879 50 0 DJAARN Fc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1 ZINC000002644484 180943721 /nfs/dbraw/zinc/94/37/21/180943721.db2.gz ZTERGLZUNVXTTE-UHFFFAOYSA-N 0 0 317.414 4.713 50 0 DJAARN CSc1ncccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000002653069 180944836 /nfs/dbraw/zinc/94/48/36/180944836.db2.gz LJMYAEGJVRHYKR-UHFFFAOYSA-N 0 0 320.417 4.723 50 0 DJAARN CCc1cccc(CC)c1NC(=O)c1cc(C)nc2ccccc21 ZINC000002653597 180945026 /nfs/dbraw/zinc/94/50/26/180945026.db2.gz CHWIJOBSDUFZHN-UHFFFAOYSA-N 0 0 318.420 4.920 50 0 DJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000002632917 180941762 /nfs/dbraw/zinc/94/17/62/180941762.db2.gz NXRRCTNRYJPJPU-UHFFFAOYSA-N 0 0 317.816 4.898 50 0 DJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)s1 ZINC000002763449 180953616 /nfs/dbraw/zinc/95/36/16/180953616.db2.gz YLPZAHAEASFAEE-UHFFFAOYSA-N 0 0 303.427 4.615 50 0 DJAARN Cc1cc(O)ccc1Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002861784 180964054 /nfs/dbraw/zinc/96/40/54/180964054.db2.gz UGOSFCJFSQYKGJ-UHFFFAOYSA-N 0 0 300.358 4.707 50 0 DJAARN COc1ccccc1OCCCCOc1ccc(Cl)cc1 ZINC000002904867 180969430 /nfs/dbraw/zinc/96/94/30/180969430.db2.gz INUKYBKSYRJYEE-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN CCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1 ZINC000002919543 180969954 /nfs/dbraw/zinc/96/99/54/180969954.db2.gz KIDNZWCWEXJSCA-UHFFFAOYSA-N 0 0 308.381 4.755 50 0 DJAARN CC(=O)Oc1ccccc1Cn1c2ccccc2c2ccccc21 ZINC000002870831 180965111 /nfs/dbraw/zinc/96/51/11/180965111.db2.gz LWWGYCREPBJWGV-UHFFFAOYSA-N 0 0 315.372 4.768 50 0 DJAARN CCOc1cccc(OCCCOc2ccc(Cl)c(C)c2)c1 ZINC000002983648 180973431 /nfs/dbraw/zinc/97/34/31/180973431.db2.gz ZDTOPISBWRVCJK-UHFFFAOYSA-N 0 0 320.816 4.895 50 0 DJAARN CCOc1ccccc1OCCCCOc1cccc(C)c1C ZINC000002985790 180974070 /nfs/dbraw/zinc/97/40/70/180974070.db2.gz HUXZJDIKOUSTEL-UHFFFAOYSA-N 0 0 314.425 4.940 50 0 DJAARN Cc1cc(C)cc(OCCCOc2cccc3cccnc32)c1 ZINC000002984291 180974151 /nfs/dbraw/zinc/97/41/51/180974151.db2.gz OCUJMFHSJNEUAI-UHFFFAOYSA-N 0 0 307.393 4.700 50 0 DJAARN CCCCOc1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000003012085 180976600 /nfs/dbraw/zinc/97/66/00/180976600.db2.gz KLTYVEYUWDYHRM-UHFFFAOYSA-N 0 0 308.381 4.506 50 0 DJAARN CCCCOc1ccc(C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000003147925 180985435 /nfs/dbraw/zinc/98/54/35/180985435.db2.gz LTRAYGBXICOLID-WBVHZDCISA-N 0 0 317.473 4.810 50 0 DJAARN O=C(N/C=C/c1ccc(Cl)cc1)OCc1ccccc1Cl ZINC000003105680 180982269 /nfs/dbraw/zinc/98/22/69/180982269.db2.gz VJGCNXFWUJHHJG-MDZDMXLPSA-N 0 0 322.191 4.891 50 0 DJAARN CCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000003141717 180985548 /nfs/dbraw/zinc/98/55/48/180985548.db2.gz AZFJDQADZSUUNR-UHFFFAOYSA-N 0 0 308.406 4.826 50 0 DJAARN CC1=CC(=O)N(c2cc(C)ccc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000003265208 180998369 /nfs/dbraw/zinc/99/83/69/180998369.db2.gz AVUFJIQDFPGYJQ-IBGZPJMESA-N 0 0 311.812 4.991 50 0 DJAARN Cc1c(=O)c2cc(F)ccc2oc1-c1ccc(C(F)(F)F)cc1 ZINC000003324759 181005210 /nfs/dbraw/zinc/00/52/10/181005210.db2.gz ZXVXUKGIMZGXLV-UHFFFAOYSA-N 0 0 322.257 4.926 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000003327115 181006151 /nfs/dbraw/zinc/00/61/51/181006151.db2.gz AASLYBMLLLNNCD-FQEVSTJZSA-N 0 0 316.404 4.787 50 0 DJAARN Cc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000003286837 181000103 /nfs/dbraw/zinc/00/01/03/181000103.db2.gz IIPPUVPSJOACGX-UHFFFAOYSA-N 0 0 324.493 4.647 50 0 DJAARN O=C(/C=C/c1ccco1)Oc1cccc(Oc2ccccc2)c1 ZINC000003285933 181000320 /nfs/dbraw/zinc/00/03/20/181000320.db2.gz XGBZCRCOALIUHV-VAWYXSNFSA-N 0 0 306.317 4.691 50 0 DJAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cccc(C(F)(F)F)c1 ZINC000003287867 181000980 /nfs/dbraw/zinc/00/09/80/181000980.db2.gz XRKHFEZFGFQSOM-NTUHNPAUSA-N 0 0 323.701 4.852 50 0 DJAARN S=C(Nc1ccc(Cl)cc1)Nc1cccc2cnccc21 ZINC000003291850 181001143 /nfs/dbraw/zinc/00/11/43/181001143.db2.gz IQYYJPULLHJWQJ-UHFFFAOYSA-N 0 0 313.813 4.697 50 0 DJAARN Cc1nc2sc3c(c2c(Nc2ccc(Cl)cc2)n1)CCC3 ZINC000003332116 181007092 /nfs/dbraw/zinc/00/70/92/181007092.db2.gz SQVYJWPSTNRZIK-UHFFFAOYSA-N 0 0 315.829 4.885 50 0 DJAARN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000003336448 181007488 /nfs/dbraw/zinc/00/74/88/181007488.db2.gz GXEJOSICIKOOMV-SECBINFHSA-N 0 0 312.171 4.624 50 0 DJAARN Cc1ccc(Nc2ncnc3sc4c(c32)CCCC4)c(F)c1 ZINC000003339831 181008311 /nfs/dbraw/zinc/00/83/11/181008311.db2.gz MZDSVEPMXGKPLK-UHFFFAOYSA-N 0 0 313.401 4.761 50 0 DJAARN O=C(Cc1ccc(Cl)cc1)Oc1cccc(Cl)c1Cl ZINC000003361695 181011604 /nfs/dbraw/zinc/01/16/04/181011604.db2.gz ZESFRUJVVBBMAR-UHFFFAOYSA-N 0 0 315.583 4.795 50 0 DJAARN CCOc1ccccc1NC(=O)c1cc(SC)ccc1Cl ZINC000003431237 181018795 /nfs/dbraw/zinc/01/87/95/181018795.db2.gz ZMFOTIUGMYPVGH-UHFFFAOYSA-N 0 0 321.829 4.713 50 0 DJAARN Cc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000003431130 181018867 /nfs/dbraw/zinc/01/88/67/181018867.db2.gz PAJQRKQJCDCLSG-LBPRGKRZSA-N 0 0 321.779 4.502 50 0 DJAARN CCc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000003442183 181020134 /nfs/dbraw/zinc/02/01/34/181020134.db2.gz WBTFHCHBEFKTCI-UHFFFAOYSA-N 0 0 305.830 4.633 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2Cl)cc1 ZINC000003446182 181020625 /nfs/dbraw/zinc/02/06/25/181020625.db2.gz UGSQOPGQSWQGQO-GFCCVEGCSA-N 0 0 305.830 4.768 50 0 DJAARN C[C@@H](CCc1ccccc1)Nc1ncnc2sc3c(c21)CCC3 ZINC000003453880 181022593 /nfs/dbraw/zinc/02/25/93/181022593.db2.gz LQVQRORHVNNRAR-ZDUSSCGKSA-N 0 0 323.465 4.613 50 0 DJAARN CCc1onc(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003451209 181021619 /nfs/dbraw/zinc/02/16/19/181021619.db2.gz CENITCJJVPEMQI-UHFFFAOYSA-N 0 0 322.364 4.590 50 0 DJAARN Cc1cnc(NC(=O)Cc2coc3ccc4ccccc4c23)s1 ZINC000003456179 181022828 /nfs/dbraw/zinc/02/28/28/181022828.db2.gz DOMIETIWCYTDPR-UHFFFAOYSA-N 0 0 322.389 4.532 50 0 DJAARN COc1ccc(-c2c[nH]c(=S)n2-c2ccc(C)cc2C)cc1 ZINC000003457138 181023012 /nfs/dbraw/zinc/02/30/12/181023012.db2.gz ZUSHQPXSCOOAAK-UHFFFAOYSA-N 0 0 310.422 4.827 50 0 DJAARN Cc1cc(C)c(NC(=O)COc2cccc(Cl)c2)c(Cl)c1 ZINC000003515954 181029370 /nfs/dbraw/zinc/02/93/70/181029370.db2.gz UZMKEBPIUAOHRT-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000003548111 181032728 /nfs/dbraw/zinc/03/27/28/181032728.db2.gz RTJYSWBWZGLTSM-UHFFFAOYSA-N 0 0 310.422 4.566 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1cc(F)c(F)cc1Cl ZINC000003548670 181032937 /nfs/dbraw/zinc/03/29/37/181032937.db2.gz MQQXTMDTWAYMPX-UHFFFAOYSA-N 0 0 309.743 4.741 50 0 DJAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000003551865 181033552 /nfs/dbraw/zinc/03/35/52/181033552.db2.gz QCJUPSZGGBIZOF-UHFFFAOYSA-N 0 0 307.324 4.870 50 0 DJAARN Cc1ccc([C@H]2CCN(C(=S)Nc3ccc(C)cc3C)C2)cc1 ZINC000003588648 181037754 /nfs/dbraw/zinc/03/77/54/181037754.db2.gz IAZUROCNYZIDPQ-SFHVURJKSA-N 0 0 324.493 4.798 50 0 DJAARN CSCc1nc2scc(-c3cccs3)c2c(Cl)n1 ZINC000003887727 181052805 /nfs/dbraw/zinc/05/28/05/181052805.db2.gz NQKHLEDHFJSZEC-UHFFFAOYSA-N 0 0 312.872 4.936 50 0 DJAARN CSCc1nc2scc(-c3ccccc3)c2c(Cl)n1 ZINC000003887551 181052914 /nfs/dbraw/zinc/05/29/14/181052914.db2.gz AMUHLLCIYHAOAS-UHFFFAOYSA-N 0 0 306.843 4.875 50 0 DJAARN Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2ccccn21 ZINC000003911557 181057341 /nfs/dbraw/zinc/05/73/41/181057341.db2.gz OWROHSBSEJJPBT-UHFFFAOYSA-N 0 0 315.376 4.759 50 0 DJAARN Cc1ccc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2n1 ZINC000003894101 181053789 /nfs/dbraw/zinc/05/37/89/181053789.db2.gz VSOSCWGMAFLZMW-UHFFFAOYSA-N 0 0 320.436 4.698 50 0 DJAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)cc1 ZINC000003897183 181054161 /nfs/dbraw/zinc/05/41/61/181054161.db2.gz ZRJHDVIQVQKWQR-GOSISDBHSA-N 0 0 304.393 4.500 50 0 DJAARN FC(F)(F)c1cc(Nc2ccc(Br)cc2)ccn1 ZINC000004051446 181066465 /nfs/dbraw/zinc/06/64/65/181066465.db2.gz UGBTUSDMPCMFLT-UHFFFAOYSA-N 0 0 317.108 4.607 50 0 DJAARN C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)c1ccccc1 ZINC000004043210 181066644 /nfs/dbraw/zinc/06/66/44/181066644.db2.gz XSCMNQGFHHGUOU-GFCCVEGCSA-N 0 0 309.438 4.743 50 0 DJAARN O=NOc1ccc(/C=C/c2nccc3c4ccccc4[nH]c32)cc1 ZINC000004000209 181060769 /nfs/dbraw/zinc/06/07/69/181060769.db2.gz KRWNXUDFGCIDKG-JXMROGBWSA-N 0 0 315.332 4.947 50 0 biogenic DJAARN O=C(Nc1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000003996481 181060784 /nfs/dbraw/zinc/06/07/84/181060784.db2.gz HFGKXGVVJZHNEY-UHFFFAOYSA-N 0 0 323.358 4.860 50 0 DJAARN Fc1ccccc1CSc1ncnc2c3ccccc3oc21 ZINC000004106824 181073999 /nfs/dbraw/zinc/07/39/99/181073999.db2.gz XJIAFXBLMMIRJR-UHFFFAOYSA-N 0 0 310.353 4.807 50 0 DJAARN Cc1ccc(CSc2ncnc3c4ccccc4oc32)cc1 ZINC000004106823 181074084 /nfs/dbraw/zinc/07/40/84/181074084.db2.gz YJIMRQYNSJBVEG-UHFFFAOYSA-N 0 0 306.390 4.977 50 0 DJAARN O=C(CSc1c[nH]c2ccccc12)Nc1cccc(Cl)c1 ZINC000004108461 181074346 /nfs/dbraw/zinc/07/43/46/181074346.db2.gz NXEDHNXUWDAVBI-UHFFFAOYSA-N 0 0 316.813 4.552 50 0 DJAARN CCCCCC1COC(c2ccc(Br)cc2)OC1 ZINC000004060390 181067812 /nfs/dbraw/zinc/06/78/12/181067812.db2.gz PTIXZQLHAOJXKF-UHFFFAOYSA-N 0 0 313.235 4.691 50 0 DJAARN Cc1nc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2s1 ZINC000004072500 181069674 /nfs/dbraw/zinc/06/96/74/181069674.db2.gz JFPOYXBYVSHEND-UHFFFAOYSA-N 0 0 317.801 4.902 50 0 DJAARN Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)cc3)n2)cc1 ZINC000004117427 181075366 /nfs/dbraw/zinc/07/53/66/181075366.db2.gz REEAYUUCIYMPPG-UHFFFAOYSA-N 0 0 308.360 4.720 50 0 DJAARN CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)cc21 ZINC000004136951 181077857 /nfs/dbraw/zinc/07/78/57/181077857.db2.gz JIMXCHWHLLOXMF-UHFFFAOYSA-N 0 0 323.392 4.824 50 0 DJAARN Cc1cc2cc(CNC(=O)c3cccc4ccccc43)ccc2[nH]1 ZINC000004138074 181078175 /nfs/dbraw/zinc/07/81/75/181078175.db2.gz XNBWGDOUOZIMKE-UHFFFAOYSA-N 0 0 314.388 4.560 50 0 DJAARN Cc1nc2sc3c(c2c(NC2CCCCC2)n1)CC[C@H](C)C3 ZINC000004184749 181083357 /nfs/dbraw/zinc/08/33/57/181083357.db2.gz DZHVRIBMEXMVOV-NSHDSACASA-N 0 0 315.486 4.869 50 0 DJAARN Cc1ccsc1C(=O)OCc1csc(-c2ccccc2)n1 ZINC000004195455 181083827 /nfs/dbraw/zinc/08/38/27/181083827.db2.gz LZOCRTGDFVXVLX-UHFFFAOYSA-N 0 0 315.419 4.537 50 0 DJAARN CC[C@@H](C)c1cc(-c2cc(N)n[nH]2)ccc1OCc1ccccc1 ZINC000004237668 181087189 /nfs/dbraw/zinc/08/71/89/181087189.db2.gz VUZIEEHTQRNAPC-CQSZACIVSA-N 0 0 321.424 4.751 50 0 DJAARN CC(=O)c1ccc(Nc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000004301839 181094522 /nfs/dbraw/zinc/09/45/22/181094522.db2.gz QPSQBMKPKGRQGT-UHFFFAOYSA-N 0 0 317.348 4.631 50 0 DJAARN Cc1sc2ncnc(Oc3ccc(F)c(Cl)c3)c2c1C ZINC000004284342 181092695 /nfs/dbraw/zinc/09/26/95/181092695.db2.gz NELDTRJQUVTELI-UHFFFAOYSA-N 0 0 308.765 4.893 50 0 DJAARN c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000004352741 181101114 /nfs/dbraw/zinc/10/11/14/181101114.db2.gz NPZDCTUDQYGYQD-UHFFFAOYSA-N 0 0 310.400 4.723 50 0 in-vitro DJAARN Fc1ccc(-c2ccc(SCc3cccc(F)c3)nn2)cc1 ZINC000004356359 181101619 /nfs/dbraw/zinc/10/16/19/181101619.db2.gz GQZMRJOKKYRVTQ-UHFFFAOYSA-N 0 0 314.360 4.714 50 0 DJAARN COc1ccccc1-c1ccc(SCc2ccc(C)cc2)nn1 ZINC000004356137 181102084 /nfs/dbraw/zinc/10/20/84/181102084.db2.gz YWYHXLXENGMCAP-UHFFFAOYSA-N 0 0 322.433 4.753 50 0 DJAARN CCCOc1ccc(CNc2ccc(Br)cc2)cc1 ZINC000004419071 181108039 /nfs/dbraw/zinc/10/80/39/181108039.db2.gz NYCLNQYJNQDFAG-UHFFFAOYSA-N 0 0 320.230 4.850 50 0 DJAARN CC1=Nc2ccccc2N=C2C[C@H](c3ccccc3O)CC(=O)C21 ZINC000004418001 181108164 /nfs/dbraw/zinc/10/81/64/181108164.db2.gz ZJWQTQNPUXGXPN-ZDUSSCGKSA-N 0 0 318.376 4.960 50 0 DJAARN C=CC1=NC(c2ccccc2)(c2ccccc2)c2ccccc2N1 ZINC000004380170 181104517 /nfs/dbraw/zinc/10/45/17/181104517.db2.gz OZNZMOXXFNLRLC-UHFFFAOYSA-N 0 0 310.400 4.798 50 0 DJAARN Cc1ccc(NC(=O)c2ccoc2COc2ccc(C)cc2)cc1 ZINC000004483158 181113141 /nfs/dbraw/zinc/11/31/41/181113141.db2.gz HPLUOCLMMJJDLO-UHFFFAOYSA-N 0 0 321.376 4.728 50 0 DJAARN COc1ccc(NC(=O)c2ccc(SC)cc2)c2ccccc12 ZINC000004517658 181118649 /nfs/dbraw/zinc/11/86/49/181118649.db2.gz CCLSMQAZEOZFSU-UHFFFAOYSA-N 0 0 323.417 4.823 50 0 DJAARN COc1ccc(NC(=O)c2ccccc2SC)c2ccccc12 ZINC000004517436 181118903 /nfs/dbraw/zinc/11/89/03/181118903.db2.gz PTKHFMLBTDSCAG-UHFFFAOYSA-N 0 0 323.417 4.823 50 0 DJAARN COC(=O)[C@@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 ZINC000004520995 181119523 /nfs/dbraw/zinc/11/95/23/181119523.db2.gz PGZCJOPTDHWYES-GIVPXCGWSA-N 0 0 314.469 4.993 50 0 biogenic DJAARN CCC(=O)c1cc(Cl)ccc1NC(=O)c1ccccc1Cl ZINC000004551741 181124019 /nfs/dbraw/zinc/12/40/19/181124019.db2.gz DGQUFRIJVGAMDD-UHFFFAOYSA-N 0 0 322.191 4.838 50 0 DJAARN Cc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)o1 ZINC000004562159 181124742 /nfs/dbraw/zinc/12/47/42/181124742.db2.gz LIDCXNPSXTWMGQ-UHFFFAOYSA-N 0 0 317.392 4.598 50 0 DJAARN COc1cc2cc(c1)CSCc1ccc(cc1)CSC2 ZINC000004568785 181125045 /nfs/dbraw/zinc/12/50/45/181125045.db2.gz YKDOCNWKDUGEIE-UHFFFAOYSA-N 0 0 302.464 4.875 50 0 DJAARN Cc1ccsc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004571570 181125936 /nfs/dbraw/zinc/12/59/36/181125936.db2.gz GWRODVCDMCZULP-RMLUDKJBSA-N 0 0 318.467 4.672 50 0 DJAARN CCCC1CCC(C2=N/C(=C\c3cccc(F)c3)C(=O)O2)CC1 ZINC000004588537 181127848 /nfs/dbraw/zinc/12/78/48/181127848.db2.gz MQDILNKRRROJOG-ATVHPVEESA-N 0 0 315.388 4.728 50 0 DJAARN Cc1ccc(/C=C/C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000004589923 181128135 /nfs/dbraw/zinc/12/81/35/181128135.db2.gz SOMKLTSJNPUKHK-JUBDITTISA-N 0 0 323.779 4.658 50 0 DJAARN Cc1ccc(-c2noc([C@@H](C)Oc3cccc(Cl)c3)n2)cc1 ZINC000004597829 181128828 /nfs/dbraw/zinc/12/88/28/181128828.db2.gz JEINACDWKYXWGM-GFCCVEGCSA-N 0 0 314.772 4.838 50 0 DJAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2C)cc1 ZINC000004597400 181129082 /nfs/dbraw/zinc/12/90/82/181129082.db2.gz CXBQZBGEJMCUJY-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Brc1cccc(NC2C3CC4CC(C3)CC2C4)c1 ZINC000004663608 181133461 /nfs/dbraw/zinc/13/34/61/181133461.db2.gz GTZSYEROEAOWQS-UHFFFAOYSA-N 0 0 306.247 4.686 50 0 DJAARN CCCC[C@H](CC)CNC(=O)COc1ccc2ccccc2c1 ZINC000004666157 181133961 /nfs/dbraw/zinc/13/39/61/181133961.db2.gz LQKDTZKCYIHVSI-INIZCTEOSA-N 0 0 313.441 4.551 50 0 DJAARN CCCC[C@@H](CC)CNC(=O)COc1cccc2ccccc21 ZINC000004666512 181134227 /nfs/dbraw/zinc/13/42/27/181134227.db2.gz HLVIAEMVEKODDH-MRXNPFEDSA-N 0 0 313.441 4.551 50 0 DJAARN CCc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000004666225 181134310 /nfs/dbraw/zinc/13/43/10/181134310.db2.gz IWDDJFCLKXQRKF-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C)cc1 ZINC000004614972 181129839 /nfs/dbraw/zinc/12/98/39/181129839.db2.gz BDTFTKPEEHFYAV-WRUMOOJNSA-N 0 0 311.469 4.779 50 0 DJAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)o1 ZINC000004632383 181130751 /nfs/dbraw/zinc/13/07/51/181130751.db2.gz YJGMJHVNTXQJTN-UHFFFAOYSA-N 0 0 324.771 4.695 50 0 DJAARN CCOC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004696709 181138427 /nfs/dbraw/zinc/13/84/27/181138427.db2.gz QPNJJLNMWNWHEP-UHFFFAOYSA-N 0 0 316.400 4.584 50 0 DJAARN COc1cc(C)ccc1OCCOc1ccc(Cl)c(C)c1C ZINC000004702071 181138941 /nfs/dbraw/zinc/13/89/41/181138941.db2.gz HUKFMBSGJZVGOM-UHFFFAOYSA-N 0 0 320.816 4.732 50 0 DJAARN Cc1ccc(CSCCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000004688274 181137056 /nfs/dbraw/zinc/13/70/56/181137056.db2.gz IWKLJLOGQGOHSF-XYJFISCASA-N 0 0 319.514 4.559 50 0 DJAARN CCOc1ccccc1OCCCCOc1cccc(Cl)c1 ZINC000004702125 181139954 /nfs/dbraw/zinc/13/99/54/181139954.db2.gz SJUACLPTEZHIGB-UHFFFAOYSA-N 0 0 320.816 4.977 50 0 DJAARN Cc1cc(-c2oc(=O)oc2-c2cc(C)sc2C)c(C)s1 ZINC000004721321 181142512 /nfs/dbraw/zinc/14/25/12/181142512.db2.gz STKIJTRICOJQIT-UHFFFAOYSA-N 0 0 306.408 4.923 50 0 DJAARN Cc1ccc(Nc2c(-c3ccsc3)nc3ncccn32)c(C)c1 ZINC000004735173 181144500 /nfs/dbraw/zinc/14/45/00/181144500.db2.gz NVIWELUOPGBZEP-UHFFFAOYSA-N 0 0 320.421 4.818 50 0 DJAARN Cc1ccc(-c2nc3nc(C)cc(C)n3c2Nc2ccccc2)o1 ZINC000004735157 181144633 /nfs/dbraw/zinc/14/46/33/181144633.db2.gz DWVPIXVZXIEDOW-UHFFFAOYSA-N 0 0 318.380 4.658 50 0 DJAARN Cc1ccccc1Nc1c(-c2ccccc2O)nc2sccn21 ZINC000004734343 181144672 /nfs/dbraw/zinc/14/46/72/181144672.db2.gz HMGNQSPSDRGNKH-UHFFFAOYSA-N 0 0 321.405 4.820 50 0 aggregator DJAARN CC[C@H](O)c1cc(Cl)ccc1NC(=O)c1ccccc1Cl ZINC000004733160 181144743 /nfs/dbraw/zinc/14/47/43/181144743.db2.gz LOXYQSWFXSVHEQ-HNNXBMFYSA-N 0 0 324.207 4.689 50 0 DJAARN COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000004739696 181145077 /nfs/dbraw/zinc/14/50/77/181145077.db2.gz LVWXGJUKFCGLRT-UHFFFAOYSA-N 0 0 317.388 4.543 50 0 DJAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3C)o2)cc1 ZINC000004740065 181145451 /nfs/dbraw/zinc/14/54/51/181145451.db2.gz JHMSJEUSFAXMFR-UHFFFAOYSA-N 0 0 321.376 4.728 50 0 DJAARN Fc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000004770268 181149681 /nfs/dbraw/zinc/14/96/81/181149681.db2.gz YCSRAUJCWQWIJD-UHFFFAOYSA-N 0 0 308.234 4.562 50 0 DJAARN CN(C)c1ccc(C2c3ccccc3Nc3ccccc32)cc1 ZINC000004773140 181150307 /nfs/dbraw/zinc/15/03/07/181150307.db2.gz WNHQRNLPBKDPCD-UHFFFAOYSA-N 0 0 300.405 4.990 50 0 DJAARN O=C(COc1ccc2oc3ccccc3c2c1)c1ccccc1 ZINC000004776286 181151469 /nfs/dbraw/zinc/15/14/69/181151469.db2.gz DSFTYSQSYIPAAI-UHFFFAOYSA-N 0 0 302.329 4.848 50 0 DJAARN Cc1nc2ccccc2nc1CSc1cccc2cccnc21 ZINC000004783761 181151939 /nfs/dbraw/zinc/15/19/39/181151939.db2.gz VGTBVKYSXDADHL-UHFFFAOYSA-N 0 0 317.417 4.779 50 0 DJAARN CCc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000004793271 181152707 /nfs/dbraw/zinc/15/27/07/181152707.db2.gz BSKKDWHQWPBAPL-UHFFFAOYSA-N 0 0 308.303 4.912 50 0 DJAARN CCC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H](C)CC)cc2)cc1 ZINC000004814389 181155451 /nfs/dbraw/zinc/15/54/51/181155451.db2.gz SRGBXYJNPMBYBP-AWEZNQCLSA-N 0 0 324.424 4.801 50 0 DJAARN CCc1sc(NC(=O)CC(C)(C)C)nc1-c1ccccc1 ZINC000004814247 181155608 /nfs/dbraw/zinc/15/56/08/181155608.db2.gz WSRYAFKKQKQSHH-UHFFFAOYSA-N 0 0 302.443 4.747 50 0 DJAARN Clc1c(OCCCCn2ccnc2)ccc2ccccc21 ZINC000004842332 181161110 /nfs/dbraw/zinc/16/11/10/181161110.db2.gz IOYLUGXIFQIWCO-UHFFFAOYSA-N 0 0 300.789 4.549 50 0 DJAARN CN(C(=O)C1c2ccccc2Oc2ccccc21)C1CCCCC1 ZINC000004832478 181158898 /nfs/dbraw/zinc/15/88/98/181158898.db2.gz YSXAELPHJDBCDC-UHFFFAOYSA-N 0 0 321.420 4.715 50 0 DJAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)C1CCCC1 ZINC000004841313 181161408 /nfs/dbraw/zinc/16/14/08/181161408.db2.gz GHIYSJLZMQPLEZ-UHFFFAOYSA-N 0 0 306.365 4.624 50 0 DJAARN CC(=O)Nc1ccc(OCc2cccc(Cl)c2Cl)cc1 ZINC000004869109 181166298 /nfs/dbraw/zinc/16/62/98/181166298.db2.gz AIRNHWMARKRYGI-UHFFFAOYSA-N 0 0 310.180 4.531 50 0 DJAARN Cc1ccc(C(=O)N(c2ccccn2)[C@H](C)c2ccco2)cc1C ZINC000004869248 181166413 /nfs/dbraw/zinc/16/64/13/181166413.db2.gz ISBMNVZQCTVDLU-MRXNPFEDSA-N 0 0 320.392 4.699 50 0 DJAARN CCCCN(CC)C(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000004906218 181171850 /nfs/dbraw/zinc/17/18/50/181171850.db2.gz NVTDUCAUTVUPJF-UHFFFAOYSA-N 0 0 310.397 4.552 50 0 DJAARN Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccccc1C(F)(F)F ZINC000004911729 181172323 /nfs/dbraw/zinc/17/23/23/181172323.db2.gz IJZCRCZOWPTRBM-AWEZNQCLSA-N 0 0 319.326 4.796 50 0 DJAARN COc1ccccc1[C@H]1CC(c2ccco2)=NN1c1ccccc1 ZINC000004915757 181172380 /nfs/dbraw/zinc/17/23/80/181172380.db2.gz ZTGYFLKXXLDVSR-GOSISDBHSA-N 0 0 318.376 4.644 50 0 aggregator DJAARN O=C(Nc1cccc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000004952994 181178975 /nfs/dbraw/zinc/17/89/75/181178975.db2.gz GJSHVPJVPPPQEZ-UHFFFAOYSA-N 0 0 320.436 4.930 50 0 DJAARN COC(=O)CCCCCCCCCCC(=O)c1ccccc1 ZINC000004963488 181180391 /nfs/dbraw/zinc/18/03/91/181180391.db2.gz ASTXNWXOCUSENG-UHFFFAOYSA-N 0 0 304.430 4.943 50 0 DJAARN Cc1cccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c1C ZINC000075346800 191464480 /nfs/dbraw/zinc/46/44/80/191464480.db2.gz LDIZMHBUQRPXON-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN CC(=C\c1ccccc1)/C=C1/SC(=O)N(c2ccccc2)C1=O ZINC000005008462 181189959 /nfs/dbraw/zinc/18/99/59/181189959.db2.gz BHIRNHKCSBPUQL-SWZGKVDCSA-N 0 0 321.401 4.874 50 0 DJAARN Clc1ccc([C@@H]2NN=C(Cc3ccccc3)S2)c(Cl)c1 ZINC000005019007 181191887 /nfs/dbraw/zinc/19/18/87/181191887.db2.gz TYZGGXHIRNAQSU-OAHLLOKOSA-N 0 0 323.248 4.885 50 0 DJAARN CCn1c(C(=O)N[C@H]2CCCC[C@H]2C)cc2sc(Cl)cc21 ZINC000005036625 181194717 /nfs/dbraw/zinc/19/47/17/181194717.db2.gz XBULHRAILFVUJT-MNOVXSKESA-N 0 0 324.877 4.685 50 0 DJAARN Cc1cc(C)cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000005042049 181195433 /nfs/dbraw/zinc/19/54/33/181195433.db2.gz AOOJDZSFYHHTTD-SIHNGCNOSA-N 0 0 311.469 4.638 50 0 DJAARN Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1Cl ZINC000005070060 181200350 /nfs/dbraw/zinc/20/03/50/181200350.db2.gz VLDJQTLUNUCBLF-UHFFFAOYSA-N 0 0 305.830 4.841 50 0 DJAARN CC(C)C[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000005149174 181209534 /nfs/dbraw/zinc/20/95/34/181209534.db2.gz NAOXDZXUBBQEHQ-YJBOKZPZSA-N 0 0 312.438 4.664 50 0 DJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3CC(C)C)cc1 ZINC000005157799 181212019 /nfs/dbraw/zinc/21/20/19/181212019.db2.gz VCVFBCJHCOXUHC-TZIWHRDSSA-N 0 0 320.436 4.911 50 0 DJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)cc1 ZINC000005157788 181212191 /nfs/dbraw/zinc/21/21/91/181212191.db2.gz VCVFBCJHCOXUHC-PZJWPPBQSA-N 0 0 320.436 4.911 50 0 DJAARN Cc1nc2c3cc(Cl)ccc3oc2c(NCc2ccccc2)n1 ZINC000005163379 181212643 /nfs/dbraw/zinc/21/26/43/181212643.db2.gz IIEUUSOPIXGXEG-UHFFFAOYSA-N 0 0 323.783 4.950 50 0 DJAARN CCCCc1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 ZINC000005186943 181215212 /nfs/dbraw/zinc/21/52/12/181215212.db2.gz RYUBVQJGUCAXGX-LJQANCHMSA-N 0 0 311.450 4.808 50 0 DJAARN CC(C)N(Cc1ccccc1)C(=O)Nc1cn(C)c2ccccc12 ZINC000005265539 181224490 /nfs/dbraw/zinc/22/44/90/181224490.db2.gz FUPYCCBCBFHDPH-UHFFFAOYSA-N 0 0 321.424 4.621 50 0 DJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000005384782 181237270 /nfs/dbraw/zinc/23/72/70/181237270.db2.gz WMGWQPOEFRPBEA-UHFFFAOYSA-N 0 0 303.789 4.724 50 0 DJAARN Cc1ccc(CC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000005268120 181225078 /nfs/dbraw/zinc/22/50/78/181225078.db2.gz PAQJOHWLFCPMJN-UHFFFAOYSA-N 0 0 308.208 4.791 50 0 DJAARN COc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000005335613 181231003 /nfs/dbraw/zinc/23/10/03/181231003.db2.gz SJTPZQXCDVEXGS-UHFFFAOYSA-N 0 0 318.376 4.691 50 0 DJAARN Cc1ccc(Cl)c(OCc2nc(-c3ccccc3C)no2)c1 ZINC000005342552 181231740 /nfs/dbraw/zinc/23/17/40/181231740.db2.gz HHRNOUVGVAWNJK-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 ZINC000005446881 181244942 /nfs/dbraw/zinc/24/49/42/181244942.db2.gz VUUIZCKFCVVNLW-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN CCC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000005546043 181255143 /nfs/dbraw/zinc/25/51/43/181255143.db2.gz DHCNZIMQSIXFMW-ICSRJNTNSA-N 0 0 306.409 4.746 50 0 DJAARN CCC[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000005546041 181255481 /nfs/dbraw/zinc/25/54/81/181255481.db2.gz DHCNZIMQSIXFMW-AZUAARDMSA-N 0 0 306.409 4.746 50 0 DJAARN CCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000005573218 181259191 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O=C(CCc1ccco1)Nc1ccccc1Oc1ccccc1 ZINC000007734675 181490349 /nfs/dbraw/zinc/49/03/49/181490349.db2.gz YQHJHNMKFLROAI-UHFFFAOYSA-N 0 0 307.349 4.643 50 0 DJAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000007780425 181495326 /nfs/dbraw/zinc/49/53/26/181495326.db2.gz QGASLFWZBYARGC-BBRMVZONSA-N 0 0 315.388 4.675 50 0 DJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(Cl)cc1F ZINC000007778129 181494847 /nfs/dbraw/zinc/49/48/47/181494847.db2.gz ZYJFUEIMTXNWLI-UHFFFAOYSA-N 0 0 321.710 4.925 50 0 DJAARN O=C(Nc1nccs1)Nc1cccc(Oc2ccccc2)c1 ZINC000095947815 193455268 /nfs/dbraw/zinc/45/52/68/193455268.db2.gz HJXZGAJWTZHXCO-UHFFFAOYSA-N 0 0 311.366 4.579 50 0 DJAARN Cc1cccc(F)c1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000095988985 193480847 /nfs/dbraw/zinc/48/08/47/193480847.db2.gz KIIODTDYPSHRBB-JTQLQIEISA-N 0 0 303.402 4.573 50 0 DJAARN C[C@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000008316026 181546824 /nfs/dbraw/zinc/54/68/24/181546824.db2.gz ZSTJBEIBOWVURC-LBPRGKRZSA-N 0 0 322.235 4.803 50 0 DJAARN CCCCN(C)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000008801739 181587054 /nfs/dbraw/zinc/58/70/54/181587054.db2.gz FNBPTAPLLAZPCA-UHFFFAOYSA-N 0 0 314.454 4.908 50 0 DJAARN C[C@H]1CCCC[C@]12CCc1cc3c4c(c(=O)oc3cc1O2)CCC4 ZINC000009184542 181605607 /nfs/dbraw/zinc/60/56/07/181605607.db2.gz MTJGUXJEQOBLTE-ZSEKCTLFSA-N 0 0 324.420 4.556 50 0 DJAARN Cc1coc2cc3o/c(=N/O)c(Cc4ccccc4)c(C)c3cc12 ZINC000009531566 181628629 /nfs/dbraw/zinc/62/86/29/181628629.db2.gz MWUZHGPYLIRJCB-QZQOTICOSA-N 0 0 319.360 4.677 50 0 DJAARN CSc1nc2c(c(Nc3ccc(Cl)cc3)n1)SCCC2 ZINC000009304044 181612517 /nfs/dbraw/zinc/61/25/17/181612517.db2.gz VETDRGNBHYXAJD-UHFFFAOYSA-N 0 0 323.874 4.634 50 0 DJAARN CCCC[C@@H](CC)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000009483455 181624441 /nfs/dbraw/zinc/62/44/41/181624441.db2.gz QCZXEQBCARYDDV-GFCCVEGCSA-N 0 0 306.837 4.768 50 0 DJAARN O=C(Nc1ccccc1OCCCc1ccccc1)c1ccco1 ZINC000009881131 181645131 /nfs/dbraw/zinc/64/51/31/181645131.db2.gz FGAGSJVTXLWTRW-UHFFFAOYSA-N 0 0 321.376 4.544 50 0 DJAARN CCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000010412849 181669077 /nfs/dbraw/zinc/66/90/77/181669077.db2.gz DDRACUZLRGAPHE-UHFFFAOYSA-N 0 0 318.367 4.717 50 0 DJAARN Cn1c2ccccc2nc1SCc1cc(-c2ccccc2)no1 ZINC000012547339 181774761 /nfs/dbraw/zinc/77/47/61/181774761.db2.gz MBOYAJBQNWTWTH-UHFFFAOYSA-N 0 0 321.405 4.521 50 0 DJAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000012619576 181783340 /nfs/dbraw/zinc/78/33/40/181783340.db2.gz KIFFYPCMBJTKSI-QGZVFWFLSA-N 0 0 311.450 4.576 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1Cl ZINC000012747148 181791753 /nfs/dbraw/zinc/79/17/53/181791753.db2.gz CKPIGQRHPRUCMN-UHFFFAOYSA-N 0 0 322.795 4.963 50 0 DJAARN Cc1ccc(F)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012759643 181794205 /nfs/dbraw/zinc/79/42/05/181794205.db2.gz HQSJYYBCLLPZMQ-UHFFFAOYSA-N 0 0 320.367 4.812 50 0 DJAARN Cc1sc2nc(SC(C)C)n(C3CCCC3)c(=O)c2c1C ZINC000012804443 181799983 /nfs/dbraw/zinc/79/99/83/181799983.db2.gz VBYLHUBLQDETSW-UHFFFAOYSA-N 0 0 322.499 4.690 50 0 DJAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4)cc3c2C1 ZINC000012806992 181800206 /nfs/dbraw/zinc/80/02/06/181800206.db2.gz ODSXXBVWSGQWCR-LBPRGKRZSA-N 0 0 322.383 4.684 50 0 DJAARN Cc1cc2occ(CC(=O)N[C@@H](C)c3cccs3)c2cc1C ZINC000012811013 181800781 /nfs/dbraw/zinc/80/07/81/181800781.db2.gz NXUWPEYBZKEFAZ-ZDUSSCGKSA-N 0 0 313.422 4.531 50 0 DJAARN Cc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)o1 ZINC000013124438 181830736 /nfs/dbraw/zinc/83/07/36/181830736.db2.gz IYEJXJXJJNGZQY-LJQANCHMSA-N 0 0 301.349 4.577 50 0 DJAARN Cc1ccc2cccc(OCCCOc3ccccc3F)c2n1 ZINC000013153590 181834946 /nfs/dbraw/zinc/83/49/46/181834946.db2.gz FIRVQBUFVTUCCI-UHFFFAOYSA-N 0 0 311.356 4.530 50 0 DJAARN CCc1ccc([C@@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013320041 181842840 /nfs/dbraw/zinc/84/28/40/181842840.db2.gz GFYKLIDKSIBELH-CYBMUJFWSA-N 0 0 314.454 4.854 50 0 DJAARN CC12C[C@H]3C[C@@H](C1)CC(NC(=O)SCc1ccccc1)(C3)C2 ZINC000013563659 181862527 /nfs/dbraw/zinc/86/25/27/181862527.db2.gz NMLBPNCMQMHNKY-CCZBSFLLSA-N 0 0 315.482 4.988 50 0 DJAARN CCCCNc1nc(-c2cccnc2)nc2sc(C)c(C)c21 ZINC000014019247 181920270 /nfs/dbraw/zinc/92/02/70/181920270.db2.gz HYDAUYGLZADKDM-UHFFFAOYSA-N 0 0 312.442 4.582 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1Cc2ccccc2S1 ZINC000014211803 181937690 /nfs/dbraw/zinc/93/76/90/181937690.db2.gz IQHRJDVBGJLTQX-CQSZACIVSA-N 0 0 324.232 4.649 50 0 DJAARN CCc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 ZINC000014266925 181947007 /nfs/dbraw/zinc/94/70/07/181947007.db2.gz ABFFDTAZIZWZNR-UHFFFAOYSA-N 0 0 321.376 4.673 50 0 DJAARN COc1ccc(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000015519747 182005513 /nfs/dbraw/zinc/00/55/13/182005513.db2.gz MJYKBNYKWSTRHK-LBPRGKRZSA-N 0 0 311.406 4.540 50 0 DJAARN C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc2ccccc2c1 ZINC000015544202 182005837 /nfs/dbraw/zinc/00/58/37/182005837.db2.gz IIRCJPPKSRDPBP-MRXNPFEDSA-N 0 0 303.405 4.602 50 0 DJAARN CCC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000015659080 182010383 /nfs/dbraw/zinc/01/03/83/182010383.db2.gz XZBGVWXVDNDYBH-SFHLNBCPSA-N 0 0 307.437 4.790 50 0 DJAARN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000015648944 182010447 /nfs/dbraw/zinc/01/04/47/182010447.db2.gz JREUGBIPUUEPHI-SECBINFHSA-N 0 0 312.171 4.624 50 0 DJAARN C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000015648964 182010702 /nfs/dbraw/zinc/01/07/02/182010702.db2.gz CQJWEOIEUCMVTO-SECBINFHSA-N 0 0 312.171 4.624 50 0 DJAARN Cc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)n2cccc2)cc1 ZINC000015771107 182015298 /nfs/dbraw/zinc/01/52/98/182015298.db2.gz YWIZIWAQGMTZMF-IBGZPJMESA-N 0 0 322.383 4.554 50 0 DJAARN Cc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)n2cccc2)cc1 ZINC000015771153 182015673 /nfs/dbraw/zinc/01/56/73/182015673.db2.gz NUVRGKLDNAETCA-LJQANCHMSA-N 0 0 322.383 4.554 50 0 DJAARN Cc1cccc([C@H](CC(=O)Nc2ccc(F)cc2)n2cccc2)c1 ZINC000015771259 182015756 /nfs/dbraw/zinc/01/57/56/182015756.db2.gz QTLQVTXAQYPNEZ-IBGZPJMESA-N 0 0 322.383 4.554 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1cccs1 ZINC000015837479 182020571 /nfs/dbraw/zinc/02/05/71/182020571.db2.gz RRLLKYHWNUGFAF-CYBMUJFWSA-N 0 0 306.818 4.771 50 0 DJAARN Fc1cc(F)cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000015836707 182020574 /nfs/dbraw/zinc/02/05/74/182020574.db2.gz TUJLQCIHEHSNRV-QGZVFWFLSA-N 0 0 307.771 4.955 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000015837857 182020968 /nfs/dbraw/zinc/02/09/68/182020968.db2.gz VMQACPIVYZMRDN-CQSZACIVSA-N 0 0 304.777 4.610 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000015837890 182021026 /nfs/dbraw/zinc/02/10/26/182021026.db2.gz PQZYTSQTXCDQFS-AWEZNQCLSA-N 0 0 304.777 4.610 50 0 DJAARN CCCCOc1ccc(NC(=O)c2ccccc2)c2cccnc12 ZINC000015841051 182021953 /nfs/dbraw/zinc/02/19/53/182021953.db2.gz WOOIPTZGOUASPB-UHFFFAOYSA-N 0 0 320.392 4.666 50 0 DJAARN Cc1ccc(-c2nc3ccccc3n2Cc2cccc(C)c2)o1 ZINC000015861456 182022712 /nfs/dbraw/zinc/02/27/12/182022712.db2.gz QQMUYTPEEZXLLT-UHFFFAOYSA-N 0 0 302.377 4.961 50 0 DJAARN Cc1ccc(-c2ccc(CCC(=O)NCc3ccccc3)o2)cc1 ZINC000015867430 182022928 /nfs/dbraw/zinc/02/29/28/182022928.db2.gz LNLWQUXFPRUKQA-UHFFFAOYSA-N 0 0 319.404 4.504 50 0 DJAARN CSc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000015866910 182023089 /nfs/dbraw/zinc/02/30/89/182023089.db2.gz ZKWCIUCKOKYHFG-KRWDZBQOSA-N 0 0 316.470 4.857 50 0 DJAARN CCCc1cc([C@H]2CCCN2Cc2ccc(SC)cc2)no1 ZINC000015866912 182023254 /nfs/dbraw/zinc/02/32/54/182023254.db2.gz FBLRZRVEDYYASN-GOSISDBHSA-N 0 0 316.470 4.686 50 0 DJAARN Cc1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c(C)o1 ZINC000016299524 182039419 /nfs/dbraw/zinc/03/94/19/182039419.db2.gz BTMIRBCANPPDJK-CQSZACIVSA-N 0 0 321.829 4.517 50 0 DJAARN Cc1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c(C)o1 ZINC000016299525 182039762 /nfs/dbraw/zinc/03/97/62/182039762.db2.gz BTMIRBCANPPDJK-AWEZNQCLSA-N 0 0 321.829 4.517 50 0 DJAARN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3OCCC[C@@H]23)cc1 ZINC000016650721 182055874 /nfs/dbraw/zinc/05/58/74/182055874.db2.gz LHZMSJCAPLSGGD-FFZOFVMBSA-N 0 0 309.409 4.638 50 0 DJAARN Oc1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000017052286 182070990 /nfs/dbraw/zinc/07/09/90/182070990.db2.gz MUSRNOKTRPLCGB-UHFFFAOYSA-N 0 0 313.209 4.508 50 0 DJAARN Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2C)c1 ZINC000017135389 182077127 /nfs/dbraw/zinc/07/71/27/182077127.db2.gz DGYFWFJOLVTMLE-UHFFFAOYSA-N 0 0 321.424 4.843 50 0 DJAARN C[C@@H]1Cc2ccccc2N1C(=S)Nc1cccc2ccccc21 ZINC000017054733 182072147 /nfs/dbraw/zinc/07/21/47/182072147.db2.gz IWZHRPHVAXRHTK-CQSZACIVSA-N 0 0 318.445 4.988 50 0 DJAARN Cc1ccc(-c2ccsc2C(=O)N2CCc3ccccc32)cc1 ZINC000017337375 182084149 /nfs/dbraw/zinc/08/41/49/182084149.db2.gz CGVMUWJDIBXSCW-UHFFFAOYSA-N 0 0 319.429 4.926 50 0 DJAARN C[C@@H]1C[C@H](C)CN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000018265253 182100946 /nfs/dbraw/zinc/10/09/46/182100946.db2.gz ZSNVWJHVAMJMPI-HDICACEKSA-N 0 0 321.464 4.713 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1F ZINC000018176878 182096568 /nfs/dbraw/zinc/09/65/68/182096568.db2.gz TVWWPBYNFZAZTE-UHFFFAOYSA-N 0 0 316.229 4.628 50 0 DJAARN Cc1ccc(C)c(O[C@H](C)CNc2ccc(F)c(Cl)c2)c1 ZINC000019738016 182141229 /nfs/dbraw/zinc/14/12/29/182141229.db2.gz XHJHJKIEYAANII-CYBMUJFWSA-N 0 0 307.796 4.975 50 0 DJAARN CCCOc1ccc(NCCOc2ccc(Cl)cc2)cc1 ZINC000019738171 182141318 /nfs/dbraw/zinc/14/13/18/182141318.db2.gz VSTAZSIMMCSNGX-UHFFFAOYSA-N 0 0 305.805 4.620 50 0 DJAARN CCOC(=O)c1cc2ccccc2nc1CSc1ccccc1 ZINC000019909768 182163605 /nfs/dbraw/zinc/16/36/05/182163605.db2.gz BVRZEHNKOOEZGA-UHFFFAOYSA-N 0 0 323.417 4.704 50 0 DJAARN O=C(Nc1cccc(F)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000019945504 182168562 /nfs/dbraw/zinc/16/85/62/182168562.db2.gz JQDDOQLCECLYPC-UHFFFAOYSA-N 0 0 317.791 4.930 50 0 DJAARN Brc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000020246620 182200311 /nfs/dbraw/zinc/20/03/11/182200311.db2.gz SLEFEGOGGSCFQY-UHFFFAOYSA-N 0 0 314.182 4.576 50 0 DJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1C ZINC000020394571 182214377 /nfs/dbraw/zinc/21/43/77/182214377.db2.gz XASKPZSCYYFLTB-GFCCVEGCSA-N 0 0 320.795 4.979 50 0 DJAARN Cc1nn(Cc2ccccc2Cl)c2nc(C)cc(C(F)F)c12 ZINC000020615206 182239674 /nfs/dbraw/zinc/23/96/74/182239674.db2.gz AFUMGKGIXROBEV-UHFFFAOYSA-N 0 0 321.758 4.687 50 0 DJAARN Cc1ccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c(C)c1 ZINC000020677774 182243131 /nfs/dbraw/zinc/24/31/31/182243131.db2.gz YBNOUQSIAWTXQS-UHFFFAOYSA-N 0 0 322.389 4.528 50 0 DJAARN CCn1ncc2c1nc(-c1ccc(C)s1)cc2C(F)(F)F ZINC000020605880 182237613 /nfs/dbraw/zinc/23/76/13/182237613.db2.gz OURZNMKLPLLVEK-UHFFFAOYSA-N 0 0 311.332 4.507 50 0 DJAARN CC1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1 ZINC000020925908 182254220 /nfs/dbraw/zinc/25/42/20/182254220.db2.gz DGTVEOPHEDJZHS-UHFFFAOYSA-N 0 0 321.420 4.823 50 0 DJAARN CC(=O)Nc1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc2c1 ZINC000021127441 182266338 /nfs/dbraw/zinc/26/63/38/182266338.db2.gz DGULHLUZGJJQBT-UHFFFAOYSA-N 0 0 308.381 4.751 50 0 DJAARN CC1CCC(Nc2c(-c3cccc(F)c3)nc3ncccn32)CC1 ZINC000021631365 182281514 /nfs/dbraw/zinc/28/15/14/182281514.db2.gz FDGZIXUHSHYXLL-UHFFFAOYSA-N 0 0 324.403 4.526 50 0 DJAARN CCOc1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021658837 182282781 /nfs/dbraw/zinc/28/27/81/182282781.db2.gz YPOJWTUBHIFBFZ-NSHDSACASA-N 0 0 316.788 4.755 50 0 DJAARN COc1cccc(C2=Nc3cc(C)c(C)cc3NC(=S)C2)c1 ZINC000021775117 182288019 /nfs/dbraw/zinc/28/80/19/182288019.db2.gz DJSMHKYVIUGVSZ-UHFFFAOYSA-N 0 0 310.422 4.576 50 0 DJAARN Cc1cc(NC2CCCCC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021799013 182290350 /nfs/dbraw/zinc/29/03/50/182290350.db2.gz HSAIGELMQYVNCS-UHFFFAOYSA-N 0 0 324.403 4.588 50 0 DJAARN Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000021894337 182297042 /nfs/dbraw/zinc/29/70/42/182297042.db2.gz DOAFBCOMGWWBAJ-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN CCC[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000021928852 182298756 /nfs/dbraw/zinc/29/87/56/182298756.db2.gz PEPRHCFAIHBWKP-QGZVFWFLSA-N 0 0 319.807 4.679 50 0 DJAARN CCCC[C@H](CC)CNC(=O)c1cc(-c2cccc(C)c2)on1 ZINC000022326772 182318136 /nfs/dbraw/zinc/31/81/36/182318136.db2.gz ZWMCRKYGFYWGMU-HNNXBMFYSA-N 0 0 314.429 4.596 50 0 DJAARN CCCC[C@@H](CC)CNC(=O)c1cc(-c2cccc(C)c2)on1 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CCC[C@H](C)c1nnc(NC(=O)[C@@H](CC)c2ccccc2)s1 ZINC000001049227 563275724 /nfs/dbraw/zinc/27/57/24/563275724.db2.gz JGOKEOFDSDHPIL-JSGCOSHPSA-N 0 0 317.458 4.574 50 0 DJAARN CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000001088654 563277159 /nfs/dbraw/zinc/27/71/59/563277159.db2.gz LOQNHISZOSDBOL-NRFANRHFSA-N 0 0 321.464 4.662 50 0 DJAARN CCCc1sc(NC(=O)c2ccco2)nc1-c1ccccc1 ZINC000001170099 563278353 /nfs/dbraw/zinc/27/83/53/563278353.db2.gz AJYVSSBNDBFIED-UHFFFAOYSA-N 0 0 312.394 4.608 50 0 DJAARN CCC(CC)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001179899 563278547 /nfs/dbraw/zinc/27/85/47/563278547.db2.gz NMVALBORRROZDW-SFHVURJKSA-N 0 0 313.466 4.825 50 0 DJAARN O=C1NC(=S)SC1=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000001216445 563279268 /nfs/dbraw/zinc/27/92/68/563279268.db2.gz QRVTWPJZFXYJFK-KPKJPENVSA-N 0 0 321.810 4.929 50 0 DJAARN Cc1cc2nc(-c3ccc(NC(=O)C(C)C)cc3)oc2c(C)c1 ZINC000001207038 563279294 /nfs/dbraw/zinc/27/92/94/563279294.db2.gz REZFMUULPAMYTR-UHFFFAOYSA-N 0 0 308.381 4.706 50 0 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COc1cccc(C(=O)N(c2ccccc2)c2ccccc2)c1 ZINC000002854186 563314818 /nfs/dbraw/zinc/31/48/18/563314818.db2.gz SKLSVNCXGXGOLT-UHFFFAOYSA-N 0 0 303.361 4.674 50 0 DJAARN CC(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000002861915 563315469 /nfs/dbraw/zinc/31/54/69/563315469.db2.gz HPGPOCUUXZVIQE-UHFFFAOYSA-N 0 0 312.369 4.895 50 0 DJAARN O=C(CSc1ccc2ccccc2c1)Nc1cccc(F)c1 ZINC000002875789 563316149 /nfs/dbraw/zinc/31/61/49/563316149.db2.gz OVECXFGQHZNHTR-UHFFFAOYSA-N 0 0 311.381 4.710 50 0 DJAARN O=C(Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1Cl ZINC000002883575 563316893 /nfs/dbraw/zinc/31/68/93/563316893.db2.gz IPRFTVIVGAXAAD-UHFFFAOYSA-N 0 0 316.571 4.605 50 0 DJAARN COc1cccc(OCCCCOc2ccc(Cl)cc2C)c1 ZINC000002984246 563318843 /nfs/dbraw/zinc/31/88/43/563318843.db2.gz AIHDBWVPXSSAIQ-UHFFFAOYSA-N 0 0 320.816 4.895 50 0 DJAARN CCOc1cccc(OCCCOc2cccc(Cl)c2)c1 ZINC000002986792 563319293 /nfs/dbraw/zinc/31/92/93/563319293.db2.gz QCTHNPONAPTMQR-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN CCOc1ccc(OCCCOc2c(C)cccc2C)cc1 ZINC000002985460 563319421 /nfs/dbraw/zinc/31/94/21/563319421.db2.gz KNWNYONMBKDBEZ-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN CCOc1ccccc1OCCCCOc1ccccc1Cl ZINC000002991014 563319898 /nfs/dbraw/zinc/31/98/98/563319898.db2.gz OJVNRZIVEMBWQG-UHFFFAOYSA-N 0 0 320.816 4.977 50 0 DJAARN COc1cc(C)ccc1OCCOc1cccc2ccccc21 ZINC000002991373 563319961 /nfs/dbraw/zinc/31/99/61/563319961.db2.gz RIDXBLGBCYDHGG-UHFFFAOYSA-N 0 0 308.377 4.615 50 0 DJAARN Cc1ccc(Cl)c(OCCOc2cccc3cccnc32)c1 ZINC000002987024 563320090 /nfs/dbraw/zinc/32/00/90/563320090.db2.gz UZBABLUCUVKBFY-UHFFFAOYSA-N 0 0 313.784 4.654 50 0 DJAARN CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3cccs3)cc21 ZINC000002997622 563320535 /nfs/dbraw/zinc/32/05/35/563320535.db2.gz MRAQLXQOPNYVRL-UHFFFAOYSA-N 0 0 313.422 4.504 50 0 DJAARN CCCCc1ccc(NC(=O)CSCc2ccccc2)cc1 ZINC000003080998 563321717 /nfs/dbraw/zinc/32/17/17/563321717.db2.gz RWVRWBRXBHQLNC-UHFFFAOYSA-N 0 0 313.466 4.901 50 0 DJAARN Fc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000003153675 563323062 /nfs/dbraw/zinc/32/30/62/563323062.db2.gz BDOIVUKRGABPAH-UHFFFAOYSA-N 0 0 305.765 4.741 50 0 DJAARN CC(C)CC(=O)Nc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC1 ZINC000034794358 563323736 /nfs/dbraw/zinc/32/37/36/563323736.db2.gz PWUNOKLJPJUSSS-UHFFFAOYSA-N 0 0 317.820 4.592 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1c(F)cccc1F ZINC000003208983 563323905 /nfs/dbraw/zinc/32/39/05/563323905.db2.gz FPLBPRYXNNIQDR-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1cccc(C)c1Oc1ccc(NC(=O)c2ccccc2)cn1 ZINC000034840386 563323970 /nfs/dbraw/zinc/32/39/70/563323970.db2.gz KHTCEQVJUJOGKC-UHFFFAOYSA-N 0 0 318.376 4.743 50 0 DJAARN O=c1c(-c2cccc(C(F)(F)F)c2)coc2ccc(F)cc21 ZINC000034909604 563324352 /nfs/dbraw/zinc/32/43/52/563324352.db2.gz VAOCRFHZWRGACW-UHFFFAOYSA-N 0 0 308.230 4.618 50 0 DJAARN CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003977901 563326484 /nfs/dbraw/zinc/32/64/84/563326484.db2.gz ORNBQBCIOKFOEO-PRDKCSMWSA-N 0 0 316.485 4.515 50 0 DJAARN CCCc1ccc(C(=O)c2cccc(Br)c2)cc1 ZINC000004242118 563327102 /nfs/dbraw/zinc/32/71/02/563327102.db2.gz MBTBVSIVYXHSDB-UHFFFAOYSA-N 0 0 303.199 4.633 50 0 DJAARN CCCCCCn1c(=S)[nH]nc1-c1c[nH]c2ccccc12 ZINC000006172773 563331894 /nfs/dbraw/zinc/33/18/94/563331894.db2.gz ZNHOXAUHWINAIP-UHFFFAOYSA-N 0 0 300.431 4.669 50 0 DJAARN O=C(NCc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000002743910 563341252 /nfs/dbraw/zinc/34/12/52/563341252.db2.gz XELPPRYABXLWBO-LTGZKZEYSA-N 0 0 313.400 4.544 50 0 DJAARN C[C@H]1C[C@@H](NC(=O)c2csc3ccccc23)CC(C)(C)C1 ZINC000002772840 563341869 /nfs/dbraw/zinc/34/18/69/563341869.db2.gz HQTYULSTMYRLOD-QWHCGFSZSA-N 0 0 301.455 4.846 50 0 DJAARN Cc1cccc(-c2nc3ccc(NC(=O)c4ccco4)cc3o2)c1 ZINC000008188138 563344706 /nfs/dbraw/zinc/34/47/06/563344706.db2.gz ZEZIQBHKRWPUMU-UHFFFAOYSA-N 0 0 318.332 4.649 50 0 DJAARN CC[C@@H](Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1 ZINC000097393823 563345496 /nfs/dbraw/zinc/34/54/96/563345496.db2.gz AHYKSKAHUUQWEJ-LJQANCHMSA-N 0 0 309.388 4.634 50 0 DJAARN CCOc1ccc2ccccc2c1C(=O)NC1CCCCCC1 ZINC000008382803 563346586 /nfs/dbraw/zinc/34/65/86/563346586.db2.gz JJCJCGZRZZPIPW-UHFFFAOYSA-N 0 0 311.425 4.691 50 0 DJAARN Cc1cc(C)nc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000008548802 563347766 /nfs/dbraw/zinc/34/77/66/563347766.db2.gz YAZUIBCRVFRTJV-DHZHZOJOSA-N 0 0 308.425 4.648 50 0 DJAARN CCCC(CCC)C(=O)Nc1ccc(Br)cc1C ZINC000008714241 563349286 /nfs/dbraw/zinc/34/92/86/563349286.db2.gz BQOOAFJEEBBOOS-UHFFFAOYSA-N 0 0 312.251 4.912 50 0 DJAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)c(Cl)c1 ZINC000008746123 563349794 /nfs/dbraw/zinc/34/97/94/563349794.db2.gz HMZOJQJNVYTPBF-LBPRGKRZSA-N 0 0 321.779 4.502 50 0 DJAARN Cc1ccc2cccc(NC(=O)c3ccc(C)c(Cl)c3)c2n1 ZINC000009190173 563352236 /nfs/dbraw/zinc/35/22/36/563352236.db2.gz ICCVJOUWLNXUAB-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN Cc1nnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000009333885 563353618 /nfs/dbraw/zinc/35/36/18/563353618.db2.gz WZJYALVYNSCNJK-UHFFFAOYSA-N 0 0 303.287 4.701 50 0 DJAARN CC(C)[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000012192856 563363862 /nfs/dbraw/zinc/36/38/62/563363862.db2.gz BGYJVBKCKPBIKZ-UYAOXDASSA-N 0 0 306.409 4.602 50 0 DJAARN COc1ccc2c(ccc3c2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@@H]32)c1 ZINC000012379862 563367882 /nfs/dbraw/zinc/36/78/82/563367882.db2.gz JCRFIZBVXKZZHN-PWRODBHTSA-N 0 0 324.420 4.610 50 0 DJAARN O=C1C[C@H](c2cccc(OC3CCCC3)c2)c2sccc2N1 ZINC000012428838 563369165 /nfs/dbraw/zinc/36/91/65/563369165.db2.gz ORWSPEDUPJQHAQ-OAHLLOKOSA-N 0 0 313.422 4.544 50 0 DJAARN Cc1oc(-c2cccs2)nc1CN(C)[C@H](C)c1cccs1 ZINC000012456491 563369727 /nfs/dbraw/zinc/36/97/27/563369727.db2.gz SWISKZFSWMEBGY-LLVKDONJSA-N 0 0 318.467 4.966 50 0 DJAARN CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12 ZINC000012471917 563370078 /nfs/dbraw/zinc/37/00/78/563370078.db2.gz HAJAGHHFQDXDEY-UHFFFAOYSA-N 0 0 322.202 4.949 50 0 DJAARN COc1cccc(-c2nc(-c3cc(F)ccc3OC)cs2)c1 ZINC000012800173 563374188 /nfs/dbraw/zinc/37/41/88/563374188.db2.gz CZDXBXMJSOFASY-UHFFFAOYSA-N 0 0 315.369 4.633 50 0 DJAARN Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012974598 563375789 /nfs/dbraw/zinc/37/57/89/563375789.db2.gz BXSRWCRMFADXNT-UHFFFAOYSA-N 0 0 302.377 4.618 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000012987028 563376559 /nfs/dbraw/zinc/37/65/59/563376559.db2.gz HTNIOPYHCHVGSI-UHFFFAOYSA-N 0 0 318.779 4.676 50 0 DJAARN Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccco3)C2)c1 ZINC000013126329 563377964 /nfs/dbraw/zinc/37/79/64/563377964.db2.gz KCFAAGAGYIRJOJ-UHFFFAOYSA-N 0 0 316.360 4.939 50 0 DJAARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)o1 ZINC000013325821 563380836 /nfs/dbraw/zinc/38/08/36/563380836.db2.gz OCYFTCZARVBTGS-UHFFFAOYSA-N 0 0 317.694 4.821 50 0 DJAARN CN(C(=O)c1ccccc1Nc1ccccc1)c1ccccc1 ZINC000032714720 563381438 /nfs/dbraw/zinc/38/14/38/563381438.db2.gz MQTFNHWYQJMZKP-UHFFFAOYSA-N 0 0 302.377 4.707 50 0 DJAARN Fc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1 ZINC000013519939 563382607 /nfs/dbraw/zinc/38/26/07/563382607.db2.gz VSXSGRCNEZXNPV-UHFFFAOYSA-N 0 0 315.200 4.941 50 0 DJAARN Cc1cc(NC(=S)Nc2ccccc2)ccc1Br ZINC000013483461 563382860 /nfs/dbraw/zinc/38/28/60/563382860.db2.gz RWDRODJHICCTIX-UHFFFAOYSA-N 0 0 321.243 4.566 50 0 DJAARN Cc1oc2cc3o/c(=N/O)cc(-c4ccccc4)c3cc2c1C ZINC000013721088 563387548 /nfs/dbraw/zinc/38/75/48/563387548.db2.gz KCGBUVQINCNMGC-FMQUCBEESA-N 0 0 305.333 4.753 50 0 DJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3CC(C)C)cc1 ZINC000013776584 563389687 /nfs/dbraw/zinc/38/96/87/563389687.db2.gz VCVFBCJHCOXUHC-CTNGQTDRSA-N 0 0 320.436 4.911 50 0 DJAARN O=S(=O)(NC1CCCCCCCCCCC1)c1ccccc1 ZINC000013939280 563392841 /nfs/dbraw/zinc/39/28/41/563392841.db2.gz MFEQVYQMAIIBTN-UHFFFAOYSA-N 0 0 323.502 4.638 50 0 DJAARN CCOc1cc2ccccc2cc1C(=O)N(C)c1ccccc1 ZINC000032784506 563393288 /nfs/dbraw/zinc/39/32/88/563393288.db2.gz XWEHSIDHZLJCSC-UHFFFAOYSA-N 0 0 305.377 4.515 50 0 DJAARN COc1cccc(OCCOc2cc(C(C)C)ccc2C)c1 ZINC000014084388 563395593 /nfs/dbraw/zinc/39/55/93/563395593.db2.gz JVCCYRSKMXLYBD-UHFFFAOYSA-N 0 0 300.398 4.585 50 0 DJAARN O=C(c1cc2cc(Br)ccc2o1)c1ccccc1F ZINC000014197685 563397756 /nfs/dbraw/zinc/39/77/56/563397756.db2.gz NQDSPWFKIIBZEK-UHFFFAOYSA-N 0 0 319.129 4.565 50 0 DJAARN O=C(NC1CCCCCCC1)c1ccccc1SC(F)F ZINC000014201973 563398299 /nfs/dbraw/zinc/39/82/99/563398299.db2.gz CLYIZOQYJRNPGY-UHFFFAOYSA-N 0 0 313.413 4.844 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c(C)o1 ZINC000014248306 563399654 /nfs/dbraw/zinc/39/96/54/563399654.db2.gz OFFWOWBEMQFXFH-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN CCc1ccc(NS(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000014255684 563399711 /nfs/dbraw/zinc/39/97/11/563399711.db2.gz IEVXVVWBFIKOQW-AWEZNQCLSA-N 0 0 317.454 4.563 50 0 DJAARN Nc1ccc(Oc2ccc(F)c(Cl)c2)c(C(F)(F)F)c1 ZINC000014630228 563401629 /nfs/dbraw/zinc/40/16/29/563401629.db2.gz WYHJBHSOMUJNJH-UHFFFAOYSA-N 0 0 305.658 4.872 50 0 DJAARN CC(C)c1cc(C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1 ZINC000014634179 563402377 /nfs/dbraw/zinc/40/23/77/563402377.db2.gz RFIOVTJPOBVYEP-OAHLLOKOSA-N 0 0 318.420 4.849 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000014739502 563403078 /nfs/dbraw/zinc/40/30/78/563403078.db2.gz GMBQJYDBWLLSGO-CQSZACIVSA-N 0 0 315.388 4.664 50 0 DJAARN O=C(CSc1cccc2ccccc21)Nc1cccc(F)c1 ZINC000015019426 563405988 /nfs/dbraw/zinc/40/59/88/563405988.db2.gz QTTHJEDUHSIJQU-UHFFFAOYSA-N 0 0 311.381 4.710 50 0 DJAARN CCc1oc2ccccc2c1C[C@H]1c2ccccc2N(CC)C1=O ZINC000015018008 563406037 /nfs/dbraw/zinc/40/60/37/563406037.db2.gz JKEPCKYVCMTOCT-KRWDZBQOSA-N 0 0 319.404 4.688 50 0 DJAARN Cc1cccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)c1 ZINC000015391618 563409664 /nfs/dbraw/zinc/40/96/64/563409664.db2.gz SJGPIXWPDPXRDL-UHFFFAOYSA-N 0 0 307.397 4.534 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000032913664 563411606 /nfs/dbraw/zinc/41/16/06/563411606.db2.gz DQLAXWANIOKUEW-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN CCC(CC)[C@@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000032915562 563412346 /nfs/dbraw/zinc/41/23/46/563412346.db2.gz NPKINDYVRZOUNW-LJQANCHMSA-N 0 0 315.482 4.974 50 0 DJAARN O=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)N1CCCC1 ZINC000018188183 563415451 /nfs/dbraw/zinc/41/54/51/563415451.db2.gz CXJKTNJDPKPCSS-OTXOEQGISA-N 0 0 323.480 4.537 50 0 DJAARN CCCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000001014689 563415682 /nfs/dbraw/zinc/41/56/82/563415682.db2.gz YCJVPTTWKDMAKA-DCBMACRLSA-N 0 0 322.433 4.701 50 0 DJAARN Cc1c(Cl)cccc1Nc1nc(N)c(C(=O)CC(C)C)s1 ZINC000032947481 563419234 /nfs/dbraw/zinc/41/92/34/563419234.db2.gz IQCRKGSJGRWRAU-UHFFFAOYSA-N 0 0 323.849 4.660 50 0 DJAARN C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(-c2ccccc2)cc1 ZINC000023200143 563419544 /nfs/dbraw/zinc/41/95/44/563419544.db2.gz ADTZXBQRGRUQHO-DLBZAZTESA-N 0 0 305.421 4.887 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025314356 563422071 /nfs/dbraw/zinc/42/20/71/563422071.db2.gz WKUMKPXQAJDHNC-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1ccc2nc(C)c(C(=O)N(C)[C@H](C)c3ccccc3)cc2c1 ZINC000025615915 563423311 /nfs/dbraw/zinc/42/33/11/563423311.db2.gz MGZDFTNOBRHAQG-MRXNPFEDSA-N 0 0 318.420 4.685 50 0 DJAARN O=C1CCCCC[C@@H]1Sc1nccn1-c1ccc(Cl)cc1 ZINC000026042534 563424298 /nfs/dbraw/zinc/42/42/98/563424298.db2.gz ZJCYCIFGEYXLBU-HNNXBMFYSA-N 0 0 320.845 4.520 50 0 DJAARN O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cccc(F)c1 ZINC000025929595 563424245 /nfs/dbraw/zinc/42/42/45/563424245.db2.gz VNXBBYGROPOSQR-UHFFFAOYSA-N 0 0 322.339 4.610 50 0 DJAARN C[C@@H](NC(=O)Nc1cccc2ccccc21)c1ccc(F)cc1 ZINC000011003609 563425147 /nfs/dbraw/zinc/42/51/47/563425147.db2.gz WPDIWYHGQWJEEI-CYBMUJFWSA-N 0 0 308.356 4.862 50 0 DJAARN Cc1nc2ccccc2n1C(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000026964815 563427366 /nfs/dbraw/zinc/42/73/66/563427366.db2.gz JTIWJAYMDDYRDS-YGRLFVJLSA-N 0 0 323.223 4.576 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000027255184 563427412 /nfs/dbraw/zinc/42/74/12/563427412.db2.gz IRQNCCGYCLLPIX-QRWLVFNGSA-N 0 0 322.452 4.708 50 0 DJAARN CCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn21 ZINC000027584883 563428716 /nfs/dbraw/zinc/42/87/16/563428716.db2.gz SSFSRNXDZOZQKE-UHFFFAOYSA-N 0 0 322.456 4.906 50 0 DJAARN Cc1cccnc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000027650806 563428799 /nfs/dbraw/zinc/42/87/99/563428799.db2.gz BIGDJUKNVFNYCF-UHFFFAOYSA-N 0 0 320.845 4.554 50 0 DJAARN COc1ccccc1NC(=O)c1oc2cc(C)cc(C)c2c1C ZINC000027992807 563430956 /nfs/dbraw/zinc/43/09/56/563430956.db2.gz OCXHZYOSLXVUAF-UHFFFAOYSA-N 0 0 309.365 4.619 50 0 DJAARN Cc1cc(-c2csc(Nc3ccc(O)cc3)n2)ccc1F ZINC000028465465 563432210 /nfs/dbraw/zinc/43/22/10/563432210.db2.gz OGKRBXAJVBHVKG-UHFFFAOYSA-N 0 0 300.358 4.707 50 0 DJAARN Fc1cccc(Cl)c1CNc1ccc(N2CCCC2)cc1 ZINC000000467948 563433490 /nfs/dbraw/zinc/43/34/90/563433490.db2.gz BUSKJINUTRECTE-UHFFFAOYSA-N 0 0 304.796 4.691 50 0 DJAARN COc1ccc2cc(CNc3nc4ccccc4o3)ccc2c1 ZINC000029411639 563434371 /nfs/dbraw/zinc/43/43/71/563434371.db2.gz XOKRDAYWMRWFLC-UHFFFAOYSA-N 0 0 304.349 4.602 50 0 DJAARN CCC(=O)N(c1cccc(N2CCCC2)c1)C1CCC(C)CC1 ZINC000072290491 563436418 /nfs/dbraw/zinc/43/64/18/563436418.db2.gz BUESPDBDYQBFTG-UHFFFAOYSA-N 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ZINC000000319819 563588000 /nfs/dbraw/zinc/58/80/00/563588000.db2.gz GXJFRHIBYSBIGD-UHFFFAOYSA-N 0 0 321.424 4.755 50 0 DJAARN CCc1ccc(NC(=O)N2CCS[C@@H]2c2cccs2)cc1 ZINC000000329314 563589074 /nfs/dbraw/zinc/58/90/74/563589074.db2.gz BQJPBKSQTFRQSA-OAHLLOKOSA-N 0 0 318.467 4.590 50 0 DJAARN COc1ccc2[nH]c3c(c2c1)CC[C@@](C)(c1cccc(OC)c1)C3 ZINC000000343168 563589567 /nfs/dbraw/zinc/58/95/67/563589567.db2.gz MNJCVIVORIEBNF-OAQYLSRUSA-N 0 0 321.420 4.632 50 0 DJAARN O=c1oc2ccccc2cc1-c1csc(-c2ccccc2)n1 ZINC000000353541 563590022 /nfs/dbraw/zinc/59/00/22/563590022.db2.gz NYIBHLXITYCPIF-UHFFFAOYSA-N 0 0 305.358 4.584 50 0 DJAARN COc1ccc(-c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000000351842 563590035 /nfs/dbraw/zinc/59/00/35/563590035.db2.gz ZRKYTNADEKUJBL-UHFFFAOYSA-N 0 0 317.388 4.923 50 0 DJAARN Clc1ccc(COc2nonc2-c2ccccc2)c(Cl)c1 ZINC000000363671 563590826 /nfs/dbraw/zinc/59/08/26/563590826.db2.gz QGIRTUOEKSMCLF-UHFFFAOYSA-N 0 0 321.163 4.622 50 0 DJAARN C[C@@H](NC(=O)/C=C\c1cccc2ccccc12)c1ccccc1 ZINC000033420626 563591966 /nfs/dbraw/zinc/59/19/66/563591966.db2.gz KWVZOPAHGHIWLE-YARYAAFXSA-N 0 0 301.389 4.730 50 0 DJAARN Cc1ccc(CSc2ncnc3sc4c(c32)CCC4)cc1 ZINC000000087305 563599631 /nfs/dbraw/zinc/59/96/31/563599631.db2.gz NMMLPCJIFZNZRA-UHFFFAOYSA-N 0 0 312.463 4.781 50 0 DJAARN C[C@H]1CCC[C@@]2(C=Cc3cc4c5c(c(=O)oc4cc3O2)CCC5)C1 ZINC000011867372 563600568 /nfs/dbraw/zinc/60/05/68/563600568.db2.gz VQJKAXZTEGCRCK-YEJXKQKISA-N 0 0 322.404 4.636 50 0 DJAARN COc1ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3)c2c1 ZINC000011866480 563600614 /nfs/dbraw/zinc/60/06/14/563600614.db2.gz IWYJEHXNMIXVCT-UHFFFAOYSA-N 0 0 315.756 4.656 50 0 DJAARN CCc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000011917040 563602280 /nfs/dbraw/zinc/60/22/80/563602280.db2.gz XZFLPKZLQSLAHJ-UHFFFAOYSA-N 0 0 324.355 4.604 50 0 DJAARN C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)c1ccccc1 ZINC000012016858 563603541 /nfs/dbraw/zinc/60/35/41/563603541.db2.gz WPHBCOPKKUHQJW-CQSZACIVSA-N 0 0 320.417 4.507 50 0 DJAARN Clc1ccc(OCc2noc(-c3ccccc3)n2)c(Cl)c1 ZINC000000107979 563606181 /nfs/dbraw/zinc/60/61/81/563606181.db2.gz WNSSFXONYAHSDF-UHFFFAOYSA-N 0 0 321.163 4.622 50 0 DJAARN c1ccc2sc(-c3cccc(NCc4ccncc4)c3)nc2c1 ZINC000000287687 563607756 /nfs/dbraw/zinc/60/77/56/563607756.db2.gz XJYTZKPXQMQOHF-UHFFFAOYSA-N 0 0 317.417 4.970 50 0 DJAARN COc1ccc(-c2cn(-c3cccc(Cl)c3)c(=S)[nH]2)cc1 ZINC000000424401 563612165 /nfs/dbraw/zinc/61/21/65/563612165.db2.gz NQEUWAVUXCVDPC-UHFFFAOYSA-N 0 0 316.813 4.864 50 0 DJAARN Cc1ccc2cc3cc(C(=O)NC4CCCCCC4)oc3nc2c1 ZINC000000428990 563612868 /nfs/dbraw/zinc/61/28/68/563612868.db2.gz IFLXUTCEPIQBRA-UHFFFAOYSA-N 0 0 322.408 4.742 50 0 DJAARN S=c1nc2ccccc2c(NCCc2ccccc2Cl)[nH]1 ZINC000000425519 563613167 /nfs/dbraw/zinc/61/31/67/563613167.db2.gz FBFXLGRMRJNUJO-UHFFFAOYSA-N 0 0 315.829 4.600 50 0 DJAARN CC1CCN(c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000001094935 563620248 /nfs/dbraw/zinc/62/02/48/563620248.db2.gz VLXMUUHJXYESLG-UHFFFAOYSA-N 0 0 321.399 4.672 50 0 DJAARN Cc1cc2sc(NC(=O)c3ccccc3Cl)nc2c(C)c1 ZINC000002652735 563621473 /nfs/dbraw/zinc/62/14/73/563621473.db2.gz OPWGEQHBQAGMSN-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Cc1ccc(C(NC(=O)c2ccccc2)=C(Cl)Cl)cc1 ZINC000003013834 563622281 /nfs/dbraw/zinc/62/22/81/563622281.db2.gz BASQACUKIAADAJ-UHFFFAOYSA-N 0 0 306.192 4.529 50 0 DJAARN O=C(c1cccs1)c1c(-c2ccccc2)cc2ccccn21 ZINC000003194917 563622361 /nfs/dbraw/zinc/62/23/61/563622361.db2.gz HFTJMJBGGCWWLG-UHFFFAOYSA-N 0 0 303.386 4.899 50 0 DJAARN O=C(c1ccccc1)N(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005531563 563623435 /nfs/dbraw/zinc/62/34/35/563623435.db2.gz MOAZRWWPIOCKJL-UHFFFAOYSA-N 0 0 313.360 4.541 50 0 DJAARN FC(F)(F)c1ccc2c(c1)[nH]c(=S)n2CCc1ccccc1 ZINC000000073988 563628773 /nfs/dbraw/zinc/62/87/73/563628773.db2.gz XIFGYPNAIIDCIT-UHFFFAOYSA-N 0 0 322.355 4.960 50 0 DJAARN c1c(-c2ccccc2)sc2ncnc(NCc3ccccc3)c12 ZINC000000091673 563628848 /nfs/dbraw/zinc/62/88/48/563628848.db2.gz DCYGEOMDUWUJJH-UHFFFAOYSA-N 0 0 317.417 4.970 50 0 DJAARN O=C(Nc1ccccc1)N(Cc1ccco1)Cc1ccccc1 ZINC000000257861 563629188 /nfs/dbraw/zinc/62/91/88/563629188.db2.gz SGIVSBKMVGPBIQ-UHFFFAOYSA-N 0 0 306.365 4.514 50 0 DJAARN COc1ccc(CNc2ccc(C)cc2Br)cc1C ZINC000000293011 563629462 /nfs/dbraw/zinc/62/94/62/563629462.db2.gz OUDPSLZFOCDZDM-UHFFFAOYSA-N 0 0 320.230 4.687 50 0 DJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000505796 563629855 /nfs/dbraw/zinc/62/98/55/563629855.db2.gz VBOODSAYBARSQV-CQSZACIVSA-N 0 0 311.425 4.834 50 0 DJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000446956 563630403 /nfs/dbraw/zinc/63/04/03/563630403.db2.gz UZDQWMCUXFREJA-CYBMUJFWSA-N 0 0 317.816 4.871 50 0 DJAARN S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCCC1 ZINC000000468212 563630718 /nfs/dbraw/zinc/63/07/18/563630718.db2.gz QGDOGIHWGNKHTG-UHFFFAOYSA-N 0 0 312.438 4.708 50 0 DJAARN O=C(Nc1cccnc1)c1sc2cc(Cl)ccc2c1Cl ZINC000000571817 563631227 /nfs/dbraw/zinc/63/12/27/563631227.db2.gz YSIFZSMLXOPMKV-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN COc1ccc2c(c1)CCc1sc(Nc3ccccc3)nc1-2 ZINC000000979472 563632542 /nfs/dbraw/zinc/63/25/42/563632542.db2.gz XZRHYEOSSGVSGQ-UHFFFAOYSA-N 0 0 308.406 4.661 50 0 DJAARN O=C(NCc1ccccc1Cl)c1ccc(F)c2ccccc12 ZINC000003151091 563635813 /nfs/dbraw/zinc/63/58/13/563635813.db2.gz NORIAENXAIVTNZ-UHFFFAOYSA-N 0 0 313.759 4.562 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008579574 563635909 /nfs/dbraw/zinc/63/59/09/563635909.db2.gz ORNBQBCIOKFOEO-KEDMDAKRSA-N 0 0 316.485 4.515 50 0 biogenic,in-vivo DJAARN COc1ccc(-c2csc([C@H]3CCO[C@H](C(C)C)C3)n2)cc1 ZINC000000497137 563650620 /nfs/dbraw/zinc/65/06/20/563650620.db2.gz FOQSLYIJGKDUCH-YOEHRIQHSA-N 0 0 317.454 4.737 50 0 DJAARN COc1ccc(-c2csc([C@H]3CCO[C@@H](C(C)C)C3)n2)cc1 ZINC000000497136 563650814 /nfs/dbraw/zinc/65/08/14/563650814.db2.gz FOQSLYIJGKDUCH-WMLDXEAASA-N 0 0 317.454 4.737 50 0 DJAARN C[C@H]1C(=O)Nc2ccc(-c3csc(-c4ccsc4)n3)cc21 ZINC000101090723 563652374 /nfs/dbraw/zinc/65/23/74/563652374.db2.gz YZSWXBUQBZZMAO-SECBINFHSA-N 0 0 312.419 4.594 50 0 DJAARN CC(C)(C)c1cc(-c2csc(N)n2)cc(C(C)(C)C)c1O ZINC000000501156 563653735 /nfs/dbraw/zinc/65/37/35/563653735.db2.gz QUWMVUIAHQZJEZ-UHFFFAOYSA-N 0 0 304.459 4.693 50 0 DJAARN CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccccc1 ZINC000101192207 563654555 /nfs/dbraw/zinc/65/45/55/563654555.db2.gz ZNLGWTUHGMDOSU-UHFFFAOYSA-N 0 0 321.376 4.507 50 0 DJAARN C[C@H]1CN(c2cc(-c3ccccc3)c3ccccc3n2)C[C@H](C)O1 ZINC000101513950 563656317 /nfs/dbraw/zinc/65/63/17/563656317.db2.gz UZXIGSNSCQTFTO-HOTGVXAUSA-N 0 0 318.420 4.515 50 0 DJAARN CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccccc1 ZINC000000518601 563662423 /nfs/dbraw/zinc/66/24/23/563662423.db2.gz XZGQPXNWENIERN-OSJHKOOESA-N 0 0 318.420 4.554 50 0 biogenic DJAARN c1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 ZINC000000546061 563669329 /nfs/dbraw/zinc/66/93/29/563669329.db2.gz AGSKNQJADFTASM-UHFFFAOYSA-N 0 0 314.392 4.762 50 0 DJAARN CCOc1ccc(-c2c(-c3ccccc3)nc3n2CCC3)cc1 ZINC000000550608 563669714 /nfs/dbraw/zinc/66/97/14/563669714.db2.gz MDWWFIXCQYASDX-UHFFFAOYSA-N 0 0 304.393 4.562 50 0 DJAARN CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000000549779 563669942 /nfs/dbraw/zinc/66/99/42/563669942.db2.gz OKVUYXINBKFLCD-HEFCMCLBSA-N 0 0 308.425 4.621 50 0 DJAARN CCN(CC)C(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 ZINC000000553742 563670332 /nfs/dbraw/zinc/67/03/32/563670332.db2.gz WNZQZPUGVQRNCC-UHFFFAOYSA-N 0 0 319.408 4.527 50 0 DJAARN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccccc1 ZINC000000558408 563671009 /nfs/dbraw/zinc/67/10/09/563671009.db2.gz CLAXFGQUQQOSMS-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN CC(C)COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000000568629 563671408 /nfs/dbraw/zinc/67/14/08/563671408.db2.gz NUBULVPJNISZQR-UHFFFAOYSA-N 0 0 303.789 4.627 50 0 DJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(Cl)s1 ZINC000000567753 563671494 /nfs/dbraw/zinc/67/14/94/563671494.db2.gz IMUSFWUPCFXBHI-UHFFFAOYSA-N 0 0 313.809 4.906 50 0 DJAARN CCCCN(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000014717525 563672457 /nfs/dbraw/zinc/67/24/57/563672457.db2.gz LHWQJBYWGHGFTI-UHFFFAOYSA-N 0 0 306.409 4.544 50 0 DJAARN Cc1cccc(CNC(=O)c2cc3cn(C(C)C)cc3s2)c1 ZINC000097944832 563672914 /nfs/dbraw/zinc/67/29/14/563672914.db2.gz DYRZBGZTVOKBLB-UHFFFAOYSA-N 0 0 312.438 4.522 50 0 DJAARN CSCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC000014820202 563674014 /nfs/dbraw/zinc/67/40/14/563674014.db2.gz JDWAPMYIEJJCKL-UHFFFAOYSA-N 0 0 317.479 4.756 50 0 DJAARN CCOc1ccccc1NC(=O)C1(c2cccs2)CCCC1 ZINC000012157896 563680888 /nfs/dbraw/zinc/68/08/88/563680888.db2.gz XRAGCIRXZGNQLN-UHFFFAOYSA-N 0 0 315.438 4.597 50 0 DJAARN CCCCOC(=O)c1ccc(Oc2cccc3ncccc32)cc1 ZINC000044857426 563685213 /nfs/dbraw/zinc/68/52/13/563685213.db2.gz JTSRBHHPHPFFMO-UHFFFAOYSA-N 0 0 321.376 4.984 50 0 DJAARN Cc1c(F)cccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000051354259 563690675 /nfs/dbraw/zinc/69/06/75/563690675.db2.gz UVIDGSQWPIOPHT-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN Cc1ccc(NC(=O)Nc2cccc(Br)c2)c(F)c1 ZINC000051354362 563690740 /nfs/dbraw/zinc/69/07/40/563690740.db2.gz RDAXDWGNGWQKAA-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1C ZINC000046018544 563691706 /nfs/dbraw/zinc/69/17/06/563691706.db2.gz RDIOGNAKBBFZDD-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN O=C(c1c(F)cccc1Cl)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018073 563691749 /nfs/dbraw/zinc/69/17/49/563691749.db2.gz MQCVCRYXPOCHCM-OAHLLOKOSA-N 0 0 321.754 4.596 50 0 DJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000046018405 563691791 /nfs/dbraw/zinc/69/17/91/563691791.db2.gz TUVIMEKTLVLDRU-GOSISDBHSA-N 0 0 324.424 4.681 50 0 DJAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F ZINC000046018471 563691793 /nfs/dbraw/zinc/69/17/93/563691793.db2.gz VPAXQVDIYMQEDT-KRWDZBQOSA-N 0 0 316.351 4.642 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1F ZINC000046018538 563691833 /nfs/dbraw/zinc/69/18/33/563691833.db2.gz YOGDBQPLVOJCEX-SFHVURJKSA-N 0 0 312.388 4.757 50 0 DJAARN CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000034162738 563698238 /nfs/dbraw/zinc/69/82/38/563698238.db2.gz FGPGANCDNDLUST-PZAQWVNCSA-N 0 0 316.485 4.659 50 0 DJAARN CCCNc1nnc(S[C@H]2CCCc3ccccc32)s1 ZINC000048482738 563698533 /nfs/dbraw/zinc/69/85/33/563698533.db2.gz XGFKVGZRRPVBNM-ZDUSSCGKSA-N 0 0 305.472 4.530 50 0 DJAARN O=C(/C=C/c1ccccc1Cl)N(Cc1ccsc1)C1CC1 ZINC000049521850 563701886 /nfs/dbraw/zinc/70/18/86/563701886.db2.gz STELVSUGWVDIEJ-VMPITWQZSA-N 0 0 317.841 4.606 50 0 DJAARN Cc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2ccccc2)cc1 ZINC000007685994 563716690 /nfs/dbraw/zinc/71/66/90/563716690.db2.gz LNRHZZSFEPEXGM-QZMUEMGWSA-N 0 0 317.388 4.507 50 0 DJAARN O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCCCC1 ZINC000000800878 563716911 /nfs/dbraw/zinc/71/69/11/563716911.db2.gz LZANVFMLAICPLN-UHFFFAOYSA-N 0 0 324.207 4.880 50 0 DJAARN Oc1ccc(CNc2ccccc2C(F)(F)F)c2cccnc12 ZINC000000809954 563718393 /nfs/dbraw/zinc/71/83/93/563718393.db2.gz ULCSYECIFXKRHF-UHFFFAOYSA-N 0 0 318.298 4.571 50 0 DJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccccc1 ZINC000008128624 563719099 /nfs/dbraw/zinc/71/90/99/563719099.db2.gz GMRUSSISEMEFEF-XTZCOPOCSA-N 0 0 322.433 4.529 50 0 DJAARN COc1ccc2c(c1)oc(C)c(-c1cc3ccccc3o1)c2=O ZINC000000517844 563769997 /nfs/dbraw/zinc/76/99/97/563769997.db2.gz DYDALIYIOBJQCT-UHFFFAOYSA-N 0 0 306.317 4.523 50 0 biogenic DJAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C)cc1 ZINC000000949546 563784906 /nfs/dbraw/zinc/78/49/06/563784906.db2.gz REHGPGBSVBEJSQ-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN O=C(N[C@@H]1CCCc2ccccc21)c1csc2ccccc12 ZINC000001002514 563786826 /nfs/dbraw/zinc/78/68/26/563786826.db2.gz KILTUXSBXYMWIF-QGZVFWFLSA-N 0 0 307.418 4.709 50 0 DJAARN Cc1ccc2nc(NC(=O)C3(c4ccccc4)CCC3)sc2c1 ZINC000025318667 563787722 /nfs/dbraw/zinc/78/77/22/563787722.db2.gz OUSQASWAEAQDDL-UHFFFAOYSA-N 0 0 322.433 4.665 50 0 DJAARN Clc1ccc(-c2nc(COc3cccc(Cl)c3)no2)cc1 ZINC000031676551 563795896 /nfs/dbraw/zinc/79/58/96/563795896.db2.gz TXACRKHIYMSMMY-UHFFFAOYSA-N 0 0 321.163 4.622 50 0 DJAARN Fc1cc2cccnc2c(CSc2ncnc3ccccc32)c1 ZINC000031612412 563796274 /nfs/dbraw/zinc/79/62/74/563796274.db2.gz JPOMDBMWHYKVIQ-UHFFFAOYSA-N 0 0 321.380 4.609 50 0 DJAARN CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1 ZINC000002102878 563798234 /nfs/dbraw/zinc/79/82/34/563798234.db2.gz SJMQFBRHOSPLFW-IBGZPJMESA-N 0 0 311.425 4.665 50 0 DJAARN Cc1ccc(C)c(NCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000003251701 563799553 /nfs/dbraw/zinc/79/95/53/563799553.db2.gz PFCSOFPLXOHSAG-UHFFFAOYSA-N 0 0 308.208 4.905 50 0 DJAARN C[C@@H]1CCc2c(sc3ncnc(Oc4ccccc4F)c23)C1 ZINC000003255149 563799748 /nfs/dbraw/zinc/79/97/48/563799748.db2.gz QMNZRARLRYKVLH-SNVBAGLBSA-N 0 0 314.385 4.748 50 0 DJAARN COc1ccccc1Nc1ccc(NC(=O)C2CCCC2)cc1 ZINC000012552919 563800997 /nfs/dbraw/zinc/80/09/97/563800997.db2.gz IGJUTQYTLRGTTC-UHFFFAOYSA-N 0 0 310.397 4.568 50 0 DJAARN c1csc(Cc2nc3ccccc3n2CCc2ccccc2)c1 ZINC000012570122 563802043 /nfs/dbraw/zinc/80/20/43/563802043.db2.gz BIBSHIZNVQNZSK-UHFFFAOYSA-N 0 0 318.445 4.931 50 0 DJAARN O=C(Nc1ccc2c(c1)CCC2)c1cc2c(cccc2F)s1 ZINC000012590687 563802816 /nfs/dbraw/zinc/80/28/16/563802816.db2.gz PXRWMRYILNRDQY-UHFFFAOYSA-N 0 0 311.381 4.781 50 0 DJAARN Cc1ccc2[nH]c(SCC(=O)c3cc4ccccc4o3)nc2c1 ZINC000012615647 563803658 /nfs/dbraw/zinc/80/36/58/563803658.db2.gz AJCMQIZOZHXWNZ-UHFFFAOYSA-N 0 0 322.389 4.593 50 0 DJAARN Cc1cc(C)cc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000012621714 563807678 /nfs/dbraw/zinc/80/76/78/563807678.db2.gz VVVWXBVYCLMGHS-UHFFFAOYSA-N 0 0 322.330 4.644 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 ZINC000004037956 563808050 /nfs/dbraw/zinc/80/80/50/563808050.db2.gz CROBBBBBHHXVDQ-ZUHHCLADSA-N 0 0 314.469 4.677 50 0 biogenic DJAARN C[C@@H](c1ccccc1F)[S@@](=O)Cc1ccc(Cl)s1 ZINC000078556136 563808666 /nfs/dbraw/zinc/80/86/66/563808666.db2.gz UBVYZQFRQAOGFT-NIVTXAMTSA-N 0 0 302.823 4.551 50 0 DJAARN CC(C)=CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1 ZINC000001237125 563809043 /nfs/dbraw/zinc/80/90/43/563809043.db2.gz KAHNNYCGRMOFDJ-UHFFFAOYSA-N 0 0 306.361 4.805 50 0 biogenic DJAARN O=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1Cl ZINC000001383002 563814270 /nfs/dbraw/zinc/81/42/70/563814270.db2.gz CNUKJAQIUYMNAS-ZHACJKMWSA-N 0 0 324.811 4.532 50 0 DJAARN CSc1nc2nc(-c3ccc(C4CCCCC4)cc3)ccn2n1 ZINC000001384401 563814293 /nfs/dbraw/zinc/81/42/93/563814293.db2.gz UABCQYYHVONHQV-UHFFFAOYSA-N 0 0 324.453 4.561 50 0 DJAARN Clc1ncccc1-c1nc2ccccc2n1Cc1ccccc1 ZINC000001386004 563815025 /nfs/dbraw/zinc/81/50/25/563815025.db2.gz QDUJXZPOLFTYRD-UHFFFAOYSA-N 0 0 319.795 4.800 50 0 DJAARN Cc1ccc(CN2c3cc(Cl)ccc3SCCC2=O)cc1 ZINC000001392630 563817502 /nfs/dbraw/zinc/81/75/02/563817502.db2.gz FPLBRXAWDYUOGG-UHFFFAOYSA-N 0 0 317.841 4.677 50 0 DJAARN CSc1ccccc1-c1nnc(SCc2ccccc2)o1 ZINC000001397958 563818121 /nfs/dbraw/zinc/81/81/21/563818121.db2.gz RVRIDSLQTYFKFK-UHFFFAOYSA-N 0 0 314.435 4.751 50 0 DJAARN Fc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000001402089 563818569 /nfs/dbraw/zinc/81/85/69/563818569.db2.gz YZNVRCSSXIMAAC-UHFFFAOYSA-N 0 0 300.720 4.728 50 0 DJAARN CC(C)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 ZINC000012741021 563819266 /nfs/dbraw/zinc/81/92/66/563819266.db2.gz ILHDAWMEAMLBCS-UHFFFAOYSA-N 0 0 317.392 4.519 50 0 DJAARN Clc1cccc(CNc2ncnc3cc(Cl)ccc32)c1 ZINC000001405657 563819563 /nfs/dbraw/zinc/81/95/63/563819563.db2.gz XPPUCNCIBLKJPG-UHFFFAOYSA-N 0 0 304.180 4.549 50 0 DJAARN COc1ccc(C)cc1CNc1ccccc1N1CCCCC1 ZINC000084142410 563823682 /nfs/dbraw/zinc/82/36/82/563823682.db2.gz QQZWDPBLJOSTMA-UHFFFAOYSA-N 0 0 310.441 4.606 50 0 DJAARN O=C1CCCN1c1ccc(-c2csc(C3CCCC3)n2)cc1 ZINC000084419674 563826561 /nfs/dbraw/zinc/82/65/61/563826561.db2.gz UKGWAKOZFNKCQI-UHFFFAOYSA-N 0 0 312.438 4.595 50 0 DJAARN O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]1c1ccco1 ZINC000084562588 563827497 /nfs/dbraw/zinc/82/74/97/563827497.db2.gz AKDMNVDNBAXWFS-MSOLQXFVSA-N 0 0 304.345 4.656 50 0 DJAARN C[C@@H](Cc1cccc(F)c1)C(=O)N(C)c1ccc2ccccc2c1 ZINC000084640743 563828859 /nfs/dbraw/zinc/82/88/59/563828859.db2.gz YSLBLPYHEAOIAK-HNNXBMFYSA-N 0 0 321.395 4.821 50 0 DJAARN C[C@H](NC(=S)N1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000084656602 563829100 /nfs/dbraw/zinc/82/91/00/563829100.db2.gz YYDWGKLABCWICM-DZGCQCFKSA-N 0 0 316.495 4.521 50 0 DJAARN Cc1cc(C)c(NC(=O)/C=C/c2cccc3cccnc23)c(C)c1 ZINC000012789527 563831642 /nfs/dbraw/zinc/83/16/42/563831642.db2.gz JSYLYBKODPOBLP-MDZDMXLPSA-N 0 0 316.404 4.812 50 0 DJAARN Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1C ZINC000012807708 563835352 /nfs/dbraw/zinc/83/53/52/563835352.db2.gz XFGUCHPZYLHSIK-UHFFFAOYSA-N 0 0 321.376 4.728 50 0 DJAARN Cc1[nH]nc(-c2ccc(OC(C)C)cc2O)c1-c1ccccc1 ZINC000000239717 563844124 /nfs/dbraw/zinc/84/41/24/563844124.db2.gz CJBPDNLLGNSTFE-UHFFFAOYSA-N 0 0 308.381 4.545 50 0 DJAARN Cn1c(SC(c2ccccc2)c2ccccc2)nnc1C1CC1 ZINC000012862812 563845465 /nfs/dbraw/zinc/84/54/65/563845465.db2.gz GTJSGILMLREYSW-UHFFFAOYSA-N 0 0 321.449 4.574 50 0 DJAARN O=C(Nc1cccc2ccccc21)OCC(Cl)(Cl)Cl ZINC000001732645 563846766 /nfs/dbraw/zinc/84/67/66/563846766.db2.gz CAAMDEZYPWRVRM-UHFFFAOYSA-N 0 0 318.587 4.759 50 0 DJAARN Brc1ccc2cc(O[C@H]3CCCCO3)ccc2c1 ZINC000000400111 563846771 /nfs/dbraw/zinc/84/67/71/563846771.db2.gz HQVYJZNFRLOZIB-HNNXBMFYSA-N 0 0 307.187 4.508 50 0 DJAARN CC(=O)CC[C@@H]1[C@@H](C)CC[C@@H]2CC(=O)[C@@]3(C)C=CC[C@H]3[C@]21C ZINC000071786283 563848584 /nfs/dbraw/zinc/84/85/84/563848584.db2.gz WYUAIWUPBXJSPN-KVNSJDMASA-N 0 0 302.458 4.579 50 0 DJAARN C[Si](C)(c1sc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000169817911 563849395 /nfs/dbraw/zinc/84/93/95/563849395.db2.gz DJHUGRNIWDOXOM-UHFFFAOYSA-N 0 0 321.732 4.531 50 0 DJAARN c1ccc2c(c1)[C@@H]1C[C@@H]1c1ccccc1[C@H]2O[C@@H]1CCCCO1 ZINC000254698336 563850255 /nfs/dbraw/zinc/85/02/55/563850255.db2.gz FMUOOONUTKTPBM-PLACYPQZSA-N 0 0 306.405 4.904 50 0 DJAARN Cc1ccc(F)c(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000012875073 563850538 /nfs/dbraw/zinc/85/05/38/563850538.db2.gz HZDNUFOFZXCPMC-UHFFFAOYSA-N 0 0 321.277 4.840 50 0 DJAARN COc1ccccc1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000012890896 563852745 /nfs/dbraw/zinc/85/27/45/563852745.db2.gz MQCBMXSALBYKJS-UHFFFAOYSA-N 0 0 315.438 4.668 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N[C@H]1CCSc2ccccc21 ZINC000012888280 563852827 /nfs/dbraw/zinc/85/28/27/563852827.db2.gz JASFOSZCKSJXBG-AWEZNQCLSA-N 0 0 318.829 4.699 50 0 DJAARN C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1cccc(Cl)c1 ZINC000012901549 563853419 /nfs/dbraw/zinc/85/34/19/563853419.db2.gz WKJXXBHSNBGTIW-CQSZACIVSA-N 0 0 323.823 4.913 50 0 DJAARN Cc1cccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c1C ZINC000012915508 563853965 /nfs/dbraw/zinc/85/39/65/563853965.db2.gz OLPOYPYFXOGGGM-UHFFFAOYSA-N 0 0 316.404 4.981 50 0 DJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000012940930 563858249 /nfs/dbraw/zinc/85/82/49/563858249.db2.gz CZDPSSFHAOGZPG-KGLIPLIRSA-N 0 0 315.388 4.745 50 0 DJAARN Cc1c(Cc2ccccc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000075249239 563861751 /nfs/dbraw/zinc/86/17/51/563861751.db2.gz OLDFLEGMOIAXAA-UHFFFAOYSA-N 0 0 304.345 4.747 50 0 DJAARN O=C1O[C@]2(C=CCCC2)OC(c2ccccc2)=C1c1ccccc1 ZINC000075252533 563861856 /nfs/dbraw/zinc/86/18/56/563861856.db2.gz SNGIMIZHOMCBMQ-NRFANRHFSA-N 0 0 318.372 4.565 50 0 DJAARN CSc1c(CNc2ccccc2)c(C)nn1-c1ccccc1 ZINC000075280210 563862634 /nfs/dbraw/zinc/86/26/34/563862634.db2.gz IMVPJHOUXSYWCA-UHFFFAOYSA-N 0 0 309.438 4.515 50 0 DJAARN COc1ccc(-c2c[nH]c(=S)n2-c2cccc(Cl)c2)cc1 ZINC000026424362 563864282 /nfs/dbraw/zinc/86/42/82/563864282.db2.gz BFTOSKPQATZBNJ-UHFFFAOYSA-N 0 0 316.813 4.864 50 0 DJAARN O=C(Nc1ccccc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000026456590 563864563 /nfs/dbraw/zinc/86/45/63/563864563.db2.gz FKQQLEQHNSPFQP-UHFFFAOYSA-N 0 0 317.791 4.930 50 0 DJAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1cccc(C)c1 ZINC000035672352 563873899 /nfs/dbraw/zinc/87/38/99/563873899.db2.gz LUDDOYOMAJNZJQ-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C)cc1C ZINC000012998634 563874551 /nfs/dbraw/zinc/87/45/51/563874551.db2.gz KSCPYESSZCOPKV-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN CC(C)Cc1ccc([C@H](NC(=O)C2CC2)c2cccs2)cc1 ZINC000013000052 563874511 /nfs/dbraw/zinc/87/45/11/563874511.db2.gz LNZADYUYZCKIDT-SFHVURJKSA-N 0 0 313.466 4.562 50 0 DJAARN Cc1cc(C)c(NC(=O)Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000013003554 563874927 /nfs/dbraw/zinc/87/49/27/563874927.db2.gz JLWTYFCFMMAKNI-UHFFFAOYSA-N 0 0 312.800 4.619 50 0 DJAARN Cc1ccc(-c2nc(CN3CCc4ccccc4C3)co2)c(C)c1 ZINC000013001293 563875155 /nfs/dbraw/zinc/87/51/55/563875155.db2.gz VLJNBZLMDJSXNB-UHFFFAOYSA-N 0 0 318.420 4.517 50 0 DJAARN CC[C@H](C)[C@@H](C(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000013007142 563875636 /nfs/dbraw/zinc/87/56/36/563875636.db2.gz ZBFICRVIOYLUIW-YVEFUNNKSA-N 0 0 303.352 4.733 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)sc1C ZINC000013012852 563876129 /nfs/dbraw/zinc/87/61/29/563876129.db2.gz FBZJOHWQRJLKKV-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 ZINC000013015902 563876613 /nfs/dbraw/zinc/87/66/13/563876613.db2.gz UYXGWDKOKRRHPT-INIZCTEOSA-N 0 0 319.404 4.863 50 0 DJAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000001777904 563878021 /nfs/dbraw/zinc/87/80/21/563878021.db2.gz ZVBXNGYJTSSHML-XYOKQWHBSA-N 0 0 309.409 4.744 50 0 DJAARN CCCCOC(=O)[C@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000001778836 563878376 /nfs/dbraw/zinc/87/83/76/563878376.db2.gz GWDGVWLSZSXEIK-INIZCTEOSA-N 0 0 312.409 4.773 50 0 DJAARN CCCCc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 ZINC000001782291 563878746 /nfs/dbraw/zinc/87/87/46/563878746.db2.gz GNCFPVVEQLEANU-NTCAYCPXSA-N 0 0 309.409 4.690 50 0 DJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1F ZINC000001937161 563886075 /nfs/dbraw/zinc/88/60/75/563886075.db2.gz YTMQOVQOYDZGJR-SOFGYWHQSA-N 0 0 310.155 4.784 50 0 DJAARN O=c1oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCC2 ZINC000000095255 563886545 /nfs/dbraw/zinc/88/65/45/563886545.db2.gz OBKKWZJKOXJHOE-UHFFFAOYSA-N 0 0 320.319 4.834 50 0 biogenic DJAARN CC1=C[C@@H](C)C2(COC(CCc3ccccc3)OC2)[C@H](C)C1 ZINC000001189423 563887289 /nfs/dbraw/zinc/88/72/89/563887289.db2.gz AJGPBQYWOGYCGN-NXMBOHNASA-N 0 0 300.442 4.601 50 0 biogenic DJAARN CCCC[C@H](CC)C(=O)Nc1ccc(N(CC)CC)cc1C ZINC000002069511 563891702 /nfs/dbraw/zinc/89/17/02/563891702.db2.gz HALCJESTZPEIRR-INIZCTEOSA-N 0 0 304.478 4.996 50 0 DJAARN CCCC[C@@H](CC)C(=O)Nc1ccc(N(CC)CC)cc1C ZINC000002069510 563891704 /nfs/dbraw/zinc/89/17/04/563891704.db2.gz HALCJESTZPEIRR-MRXNPFEDSA-N 0 0 304.478 4.996 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2cc(C)ccc2C)c2cc(C)ccc2O1 ZINC000006843127 563896661 /nfs/dbraw/zinc/89/66/61/563896661.db2.gz IPHMBYMUIOBWLH-INIZCTEOSA-N 0 0 324.424 4.821 50 0 DJAARN Cc1ccc2onc(CNC(=O)Nc3ccc(C(C)C)cc3)c2c1 ZINC000006866028 563897579 /nfs/dbraw/zinc/89/75/79/563897579.db2.gz HJWHAPXWRHSLGP-UHFFFAOYSA-N 0 0 323.396 4.581 50 0 DJAARN CCc1ccccc1NC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000006876941 563897972 /nfs/dbraw/zinc/89/79/72/563897972.db2.gz FZRMGJZNTZQUND-ZDUSSCGKSA-N 0 0 312.438 4.782 50 0 DJAARN Cc1ccc(NC(=O)N2C[C@H](C)Sc3ccccc32)cc1C ZINC000006876897 563897977 /nfs/dbraw/zinc/89/79/77/563897977.db2.gz JYNLSMZDZFHTQQ-AWEZNQCLSA-N 0 0 312.438 4.836 50 0 DJAARN Cc1cccc(NC(=O)N2C[C@@H](C)Sc3ccccc32)c1C ZINC000006876896 563897999 /nfs/dbraw/zinc/89/79/99/563897999.db2.gz DFBSIGCKIGVMBD-CYBMUJFWSA-N 0 0 312.438 4.836 50 0 DJAARN Cc1cnc(NC(=O)c2ccc(-c3cccs3)cc2F)s1 ZINC000036391382 563898017 /nfs/dbraw/zinc/89/80/17/563898017.db2.gz HQLIFBSSBNZHMJ-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN CC(C)(C)[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000036392592 563898408 /nfs/dbraw/zinc/89/84/08/563898408.db2.gz UIGWMFDYVHCBDI-INIZCTEOSA-N 0 0 300.377 4.735 50 0 DJAARN O=C(OCc1cccc2ccccc21)c1cc2ccccc2[nH]1 ZINC000006881895 563898416 /nfs/dbraw/zinc/89/84/16/563898416.db2.gz MIAMHNWQDXDSCN-UHFFFAOYSA-N 0 0 301.345 4.678 50 0 DJAARN CCn1c(C)c(C)c2cc(C(=O)NC3CCCCCC3)ccc21 ZINC000006912410 563899098 /nfs/dbraw/zinc/89/90/98/563899098.db2.gz XJCGCYVMZJDXLJ-UHFFFAOYSA-N 0 0 312.457 4.731 50 0 DJAARN CC(=O)Nc1cc(N[C@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000151339672 563901520 /nfs/dbraw/zinc/90/15/20/563901520.db2.gz HWFFSBFBNYLDCN-INIZCTEOSA-N 0 0 318.779 4.537 50 0 DJAARN O=C(Nc1ccccc1Cl)N1CCC[C@@H]1c1ccccc1F ZINC000036620604 563901578 /nfs/dbraw/zinc/90/15/78/563901578.db2.gz ZYJCPVRFJRBCLY-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN COc1ccc(-c2nc(-c3ccc(OC)c(F)c3)cs2)cc1 ZINC000007274136 563905035 /nfs/dbraw/zinc/90/50/35/563905035.db2.gz DOASOWYQNRGFHU-UHFFFAOYSA-N 0 0 315.369 4.633 50 0 DJAARN Cc1ncc([C@@H](C)[NH+]2CCC(c3cccc(F)c3F)CC2)s1 ZINC000170602829 563907406 /nfs/dbraw/zinc/90/74/06/563907406.db2.gz ZWYYAFQIIDAJOC-LLVKDONJSA-N 0 0 322.424 4.670 50 0 DJAARN CCCn1c(=O)cc(Nc2ccc(Cl)cc2)c2ccccc21 ZINC000170624580 563908744 /nfs/dbraw/zinc/90/87/44/563908744.db2.gz HDSKEBGAAJVSIK-UHFFFAOYSA-N 0 0 312.800 4.809 50 0 DJAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000071283111 563909073 /nfs/dbraw/zinc/90/90/73/563909073.db2.gz HBHHKGOGEJSCFK-LLVKDONJSA-N 0 0 324.211 4.894 50 0 DJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(Cl)cc2)S1 ZINC000071287416 563909259 /nfs/dbraw/zinc/90/92/59/563909259.db2.gz KYJMHDCTKWUHLI-ZDUSSCGKSA-N 0 0 321.833 4.709 50 0 DJAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c(C)c1 ZINC000013744519 563909919 /nfs/dbraw/zinc/90/99/19/563909919.db2.gz BVNDONCZTWRELF-NSHDSACASA-N 0 0 308.834 4.901 50 0 DJAARN CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000013745080 563909932 /nfs/dbraw/zinc/90/99/32/563909932.db2.gz JUEBJBMTRJVGNL-JTQLQIEISA-N 0 0 324.833 4.683 50 0 DJAARN CN(C(=O)c1ccc(Cl)cc1)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000076018742 563911795 /nfs/dbraw/zinc/91/17/95/563911795.db2.gz LNORYFZMCQUNRJ-QGZVFWFLSA-N 0 0 317.791 4.702 50 0 DJAARN CCCCCCOc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000001788382 563912956 /nfs/dbraw/zinc/91/29/56/563912956.db2.gz PTDYCQSLSLRGBJ-UHFFFAOYSA-N 0 0 300.398 4.631 50 0 DJAARN Cc1cccc2c(C)cc(SCC(=O)c3cccs3)nc12 ZINC000002872033 563913061 /nfs/dbraw/zinc/91/30/61/563913061.db2.gz PTQYLMUPEZKHJL-UHFFFAOYSA-N 0 0 313.447 4.888 50 0 DJAARN CC[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc21 ZINC000002876818 563913084 /nfs/dbraw/zinc/91/30/84/563913084.db2.gz AETVWJKKLVHJNG-GOSISDBHSA-N 0 0 303.405 4.591 50 0 DJAARN Cc1ccc2cccc(OC(=O)Nc3ccc(Cl)cc3)c2n1 ZINC000000396446 563915535 /nfs/dbraw/zinc/91/55/35/563915535.db2.gz NDGVCMKVFPATBE-UHFFFAOYSA-N 0 0 312.756 4.808 50 0 DJAARN CCc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000002167791 563916744 /nfs/dbraw/zinc/91/67/44/563916744.db2.gz DLBPZMZMDPJHQO-UHFFFAOYSA-N 0 0 308.303 4.912 50 0 DJAARN CCc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 ZINC000007684218 563917840 /nfs/dbraw/zinc/91/78/40/563917840.db2.gz CIHDUFUHUVCJSX-UHFFFAOYSA-N 0 0 308.406 4.625 50 0 DJAARN C[C@H](c1ccccc1F)N(C(=S)NC1CCCCC1)C1CC1 ZINC000066008307 563919305 /nfs/dbraw/zinc/91/93/05/563919305.db2.gz UCLZLYOMOGPOLY-CYBMUJFWSA-N 0 0 320.477 4.558 50 0 DJAARN CCCSC1(SCCC)C[C@@H]2CC(=O)Nc3cccc1c32 ZINC000245197907 563920012 /nfs/dbraw/zinc/92/00/12/563920012.db2.gz HOVRCJOKJNIJQD-LBPRGKRZSA-N 0 0 321.511 4.955 50 0 DJAARN Cc1cccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 ZINC000003115134 563920823 /nfs/dbraw/zinc/92/08/23/563920823.db2.gz VSTYOELRFUVEED-AQTBWJFISA-N 0 0 319.404 4.637 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cccc(F)c1 ZINC000019861911 563923737 /nfs/dbraw/zinc/92/37/37/563923737.db2.gz JCEPLQZKNYBRQY-UHFFFAOYSA-N 0 0 314.143 4.881 50 0 DJAARN C=CC(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000002294861 563925603 /nfs/dbraw/zinc/92/56/03/563925603.db2.gz BHPMAWFTBAFSQU-OAQYLSRUSA-N 0 0 305.421 4.694 50 0 DJAARN CCCCOP(=O)(OCCCC)[C@H](O)c1ccc(F)cc1 ZINC000002332185 563926100 /nfs/dbraw/zinc/92/61/00/563926100.db2.gz HMBAYGCWPDNUAR-HNNXBMFYSA-N 0 0 318.325 4.643 50 0 DJAARN CC(C)c1ccc(C=C(Br)Br)cc1 ZINC000075421007 563927319 /nfs/dbraw/zinc/92/73/19/563927319.db2.gz QPNFTLPLYPYTGV-UHFFFAOYSA-N 0 0 304.025 4.898 50 0 DJAARN CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000079495685 563930561 /nfs/dbraw/zinc/93/05/61/563930561.db2.gz WSFFNGUEOOTGAT-CQSZACIVSA-N 0 0 323.462 4.516 50 0 DJAARN CSc1ccccc1C(=O)NC1(c2cccs2)CCCC1 ZINC000390829598 563930794 /nfs/dbraw/zinc/93/07/94/563930794.db2.gz ZZXCOSVFMYXCES-UHFFFAOYSA-N 0 0 317.479 4.669 50 0 DJAARN 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/nfs/dbraw/zinc/62/74/19/190627419.db2.gz ALHSXFXCGLYAFK-UHFFFAOYSA-N 0 0 320.392 4.666 50 0 DJAARN O=C(/C=C\c1ccncc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000096993708 185395374 /nfs/dbraw/zinc/39/53/74/185395374.db2.gz UCQCBWRBKUHIRA-WDZFZDKYSA-N 0 0 316.360 4.526 50 0 DJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C\c1ccccc1 ZINC000096996582 185395741 /nfs/dbraw/zinc/39/57/41/185395741.db2.gz SYDXNUIZFIAXAJ-LLNWESEBSA-N 0 0 305.377 4.666 50 0 DJAARN C[C@H](Nc1ccc(-c2cncnc2)cc1)c1ncc(C(C)(C)C)o1 ZINC000095406480 185356065 /nfs/dbraw/zinc/35/60/65/185356065.db2.gz FTOZTVWOMJAMSJ-ZDUSSCGKSA-N 0 0 322.412 4.602 50 0 DJAARN c1csc(-c2nc(CN[C@H]3CCCc4sccc43)co2)c1 ZINC000095420928 185360302 /nfs/dbraw/zinc/36/03/02/185360302.db2.gz GZWIBDWOBPJRCK-ZDUSSCGKSA-N 0 0 316.451 4.632 50 0 DJAARN CCCC(=O)Nc1cccc(NCCc2ccc(C)cc2)c1C ZINC000095454347 185369710 /nfs/dbraw/zinc/36/97/10/185369710.db2.gz KJTGBDVHGLGYCF-UHFFFAOYSA-N 0 0 310.441 4.697 50 0 DJAARN COc1ccc(N[C@H](C)c2ccccn2)cc1Cc1ccccc1 ZINC000095457153 185370448 /nfs/dbraw/zinc/37/04/48/185370448.db2.gz LNXYHGHVYXHVIJ-MRXNPFEDSA-N 0 0 318.420 4.854 50 0 DJAARN Cc1ccc(C2NC(c3ccc(Cl)cc3)=NC2=S)cc1 ZINC000102922336 185426342 /nfs/dbraw/zinc/42/63/42/185426342.db2.gz GXRMMQVLQHLWBA-UHFFFAOYSA-N 0 0 300.814 4.994 50 0 DJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cc(C)sc2C)C1(C)C ZINC000229727674 201847153 /nfs/dbraw/zinc/84/71/53/201847153.db2.gz QBLSXGGHBRAKSY-MAZHCROVSA-N 0 0 305.487 4.781 50 0 DJAARN Cc1cccc(Nc2ncnc3c4nc(C)cc(C)c4sc32)c1 ZINC000068755715 190781835 /nfs/dbraw/zinc/78/18/35/190781835.db2.gz SPTAQNKMODKVBM-UHFFFAOYSA-N 0 0 320.421 4.908 50 0 DJAARN CC(C)c1noc([C@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069777949 190816615 /nfs/dbraw/zinc/81/66/15/190816615.db2.gz PJHYLFLDDYVHLN-LRDDRELGSA-N 0 0 317.408 4.524 50 0 DJAARN O=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080343923 192150069 /nfs/dbraw/zinc/15/00/69/192150069.db2.gz LRTLXKOPBNXGPY-CABCVRRESA-N 0 0 324.182 4.875 50 0 DJAARN CC[C@H](CCSc1ccccc1)NC(=O)c1ccc(F)cc1 ZINC000080345951 192150330 /nfs/dbraw/zinc/15/03/30/192150330.db2.gz BOBWIRNHLXGFDF-MRXNPFEDSA-N 0 0 317.429 4.517 50 0 DJAARN CC[C@@H](CCSc1ccccc1)NC(=O)c1ccc(F)cc1 ZINC000080345948 192150517 /nfs/dbraw/zinc/15/05/17/192150517.db2.gz BOBWIRNHLXGFDF-INIZCTEOSA-N 0 0 317.429 4.517 50 0 DJAARN Fc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn32)cc1 ZINC000071375505 190962713 /nfs/dbraw/zinc/96/27/13/190962713.db2.gz HBLJHGROIUSZAJ-UHFFFAOYSA-N 0 0 323.758 4.856 50 0 DJAARN c1ccc(-c2nc3nccc(-c4cccc5ccccc54)n3n2)cc1 ZINC000071375908 190962814 /nfs/dbraw/zinc/96/28/14/190962814.db2.gz CCEOOXLEHGGPOQ-UHFFFAOYSA-N 0 0 322.371 4.612 50 0 DJAARN CCn1c(C)cc(C(=O)N(C)Cc2ccc3ccccc3c2)c1C ZINC000083836754 192384909 /nfs/dbraw/zinc/38/49/09/192384909.db2.gz UXSBRNYATDEOQI-UHFFFAOYSA-N 0 0 320.436 4.550 50 0 DJAARN CC(=O)c1cc(CN2CCCC[C@@H]2c2cccc(F)c2)cs1 ZINC000072139132 191047541 /nfs/dbraw/zinc/04/75/41/191047541.db2.gz RAXCSQXBWNIAOE-QGZVFWFLSA-N 0 0 317.429 4.817 50 0 DJAARN c1ccc(C(Oc2cccc3c2NCC3)c2ccccc2)cc1 ZINC000072194136 191073373 /nfs/dbraw/zinc/07/33/73/191073373.db2.gz OOZKDCMUSIGDTK-UHFFFAOYSA-N 0 0 301.389 4.823 50 0 DJAARN Cc1cccc(-c2cccc(C(=O)N(C)Cc3cccs3)c2)c1 ZINC000072264646 191089617 /nfs/dbraw/zinc/08/96/17/191089617.db2.gz MBYQFQNXKQEWKT-UHFFFAOYSA-N 0 0 321.445 4.996 50 0 DJAARN CC(C)COc1ccccc1NC(=O)N1CC[C@H]2CCCC[C@H]21 ZINC000225633886 186285655 /nfs/dbraw/zinc/28/56/55/186285655.db2.gz WWTZMMZYXMCSBJ-NVXWUHKLSA-N 0 0 316.445 4.518 50 0 DJAARN CC(C)c1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1 ZINC000072331773 191124860 /nfs/dbraw/zinc/12/48/60/191124860.db2.gz NDCIKODTUIKQTO-UHFFFAOYSA-N 0 0 305.780 4.533 50 0 DJAARN CC(C)c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000072331649 191125375 /nfs/dbraw/zinc/12/53/75/191125375.db2.gz MTJJYSGPTUUVSV-UHFFFAOYSA-N 0 0 321.342 4.759 50 0 DJAARN COc1ccc2cc(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 ZINC000000057994 180680095 /nfs/dbraw/zinc/68/00/95/180680095.db2.gz ZMYYRVFXYRDTBW-UHFFFAOYSA-N 0 0 321.159 4.775 50 0 DJAARN c1sc(N2CC[C@@H](c3ccccc3)C2)nc1-c1ccccc1 ZINC000000038352 180674696 /nfs/dbraw/zinc/67/46/96/180674696.db2.gz PEQBRYRVRYBHLM-QGZVFWFLSA-N 0 0 306.434 4.804 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1ccccc1Br ZINC000000038976 180674893 /nfs/dbraw/zinc/67/48/93/180674893.db2.gz ZKPLKEMONGFZKE-UHFFFAOYSA-N 0 0 318.214 4.572 50 0 DJAARN Cc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1C ZINC000000042853 180675845 /nfs/dbraw/zinc/67/58/45/180675845.db2.gz AAEFJKSTHQBIHF-GXTWGEPZSA-N 0 0 312.240 4.833 50 0 DJAARN Cc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1C ZINC000000042854 180676177 /nfs/dbraw/zinc/67/61/77/180676177.db2.gz AAEFJKSTHQBIHF-JSGCOSHPSA-N 0 0 312.240 4.833 50 0 DJAARN O=C1C[C@@H](c2nc(-c3ccccc3)cs2)C2(CCCCC2)O1 ZINC000000044447 180676653 /nfs/dbraw/zinc/67/66/53/180676653.db2.gz FHESPGDKCTZMRK-AWEZNQCLSA-N 0 0 313.422 4.544 50 0 DJAARN Cc1cc(C)c(C(=O)Cn2c3ccccc3[nH]c2=S)c(C)c1 ZINC000000045461 180676655 /nfs/dbraw/zinc/67/66/55/180676655.db2.gz FTACYOYGIHSXSF-UHFFFAOYSA-N 0 0 310.422 4.507 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 ZINC000000053386 180679254 /nfs/dbraw/zinc/67/92/54/180679254.db2.gz RIMYKURWPJPYDI-UHFFFAOYSA-N 0 0 307.180 4.588 50 0 DJAARN Cc1ccc(OCc2nc(-c3ccccc3Cl)no2)c(C)c1 ZINC000000091960 180689661 /nfs/dbraw/zinc/68/96/61/180689661.db2.gz YUDCFIIMWGQZLF-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2o1 ZINC000000112827 180697144 /nfs/dbraw/zinc/69/71/44/180697144.db2.gz KIYNDWIYACDPMB-UHFFFAOYSA-N 0 0 322.389 4.593 50 0 DJAARN O=C(Nc1ccccc1F)c1ccccc1CCc1ccccc1 ZINC000000129866 180702659 /nfs/dbraw/zinc/70/26/59/180702659.db2.gz WCAJOTKJFDMAEE-UHFFFAOYSA-N 0 0 319.379 4.863 50 0 DJAARN O=C(Oc1cc(Cl)ccc1Cl)c1cc2ccccc2o1 ZINC000000133185 180704249 /nfs/dbraw/zinc/70/42/49/180704249.db2.gz CNOVDFFPPDVESU-UHFFFAOYSA-N 0 0 307.132 4.959 50 0 DJAARN Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1Cl ZINC000000133719 180704290 /nfs/dbraw/zinc/70/42/90/180704290.db2.gz NJBWKEUQQOUMBA-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CCOc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000148033 180708326 /nfs/dbraw/zinc/70/83/26/180708326.db2.gz FQOSFUMLKLNNDG-UHFFFAOYSA-N 0 0 300.741 4.512 50 0 DJAARN Oc1cccc(Nc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000000148654 180708762 /nfs/dbraw/zinc/70/87/62/180708762.db2.gz FURAZXKONFAWIZ-UHFFFAOYSA-N 0 0 319.389 4.808 50 0 DJAARN O=Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000000168308 180713249 /nfs/dbraw/zinc/71/32/49/180713249.db2.gz VAXNPSOTXPROHH-UHFFFAOYSA-N 0 0 324.689 4.510 50 0 DJAARN FC(F)(F)C1=NN(c2ccccc2)C=C[C@H]1c1ccccc1 ZINC000072481743 191181450 /nfs/dbraw/zinc/18/14/50/191181450.db2.gz QCRASQWHVCRLHE-HNNXBMFYSA-N 0 0 302.299 4.722 50 0 DJAARN Cc1ccc2oc(-c3cccc(Br)c3)cc(=O)c2c1 ZINC000000265292 180742604 /nfs/dbraw/zinc/74/26/04/180742604.db2.gz NGKYRJKVRCEDNG-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 in-vivo DJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000000288819 180748944 /nfs/dbraw/zinc/74/89/44/180748944.db2.gz IDTKKWMUTKESHQ-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1ccccc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000000309904 180755576 /nfs/dbraw/zinc/75/55/76/180755576.db2.gz DYOWBEIFXJXAHY-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000000315615 180757315 /nfs/dbraw/zinc/75/73/15/180757315.db2.gz BKGYNVKKYMOKSJ-ZDUSSCGKSA-N 0 0 317.816 4.617 50 0 DJAARN CC1(C)[C@@]2(C(=O)Nc3cccc4ccccc43)CC[C@]1(C)C(=O)C2 ZINC000000309167 180754852 /nfs/dbraw/zinc/75/48/52/180754852.db2.gz OVUQUEYHRHUGJL-RTWAWAEBSA-N 0 0 321.420 4.564 50 0 biogenic DJAARN O=C(Nc1cccc(Cl)c1)O[C@@H]1CCCc2ccccc21 ZINC000000377921 180771206 /nfs/dbraw/zinc/77/12/06/180771206.db2.gz QXIAURIMWUEPND-MRXNPFEDSA-N 0 0 301.773 4.966 50 0 DJAARN CCOc1ccc(Oc2cc(N)cc(Oc3cccnc3)c2)cc1 ZINC000000353971 180764547 /nfs/dbraw/zinc/76/45/47/180764547.db2.gz MPYGGUIHPWGCER-UHFFFAOYSA-N 0 0 322.364 4.647 50 0 DJAARN ClC(Cl)(Cl)C(Nc1ccccc1)Nc1ccccc1 ZINC000000365195 180768227 /nfs/dbraw/zinc/76/82/27/180768227.db2.gz QLGMTPWOMVVRJP-UHFFFAOYSA-N 0 0 315.631 4.907 50 0 DJAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000395115 180776381 /nfs/dbraw/zinc/77/63/81/180776381.db2.gz FPVKTDRLERQLAJ-UHFFFAOYSA-N 0 0 316.360 4.562 50 0 DJAARN O=C(Nc1ccccc1)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000000396507 180776722 /nfs/dbraw/zinc/77/67/22/180776722.db2.gz CDLKYLNOMFOWNY-UHFFFAOYSA-N 0 0 317.344 4.529 50 0 DJAARN CSc1cccc(NC(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000000397867 180776856 /nfs/dbraw/zinc/77/68/56/180776856.db2.gz GYHZBYPKMNZJKG-UHFFFAOYSA-N 0 0 324.405 4.911 50 0 DJAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1Cl ZINC000000398837 180777597 /nfs/dbraw/zinc/77/75/97/180777597.db2.gz BOFUPRXVHQUVCB-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN O=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000000436221 180790772 /nfs/dbraw/zinc/79/07/72/180790772.db2.gz PQXZTOVCTWAOJL-UHFFFAOYSA-N 0 0 304.176 4.809 50 0 DJAARN COc1ccc(CCCC(=O)Nc2cccc(Cl)c2)cc1C ZINC000000459092 180797181 /nfs/dbraw/zinc/79/71/81/180797181.db2.gz PZQQIKSUZGNYSA-UHFFFAOYSA-N 0 0 317.816 4.618 50 0 DJAARN Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1C ZINC000000462610 180798582 /nfs/dbraw/zinc/79/85/82/180798582.db2.gz PEBWFCOQHWOFFA-UHFFFAOYSA-N 0 0 308.381 4.706 50 0 DJAARN O=C(Nc1cccc(F)c1)c1ccccc1Oc1ccccc1 ZINC000000445278 180794085 /nfs/dbraw/zinc/79/40/85/180794085.db2.gz WWSPHPLSMXJMDW-UHFFFAOYSA-N 0 0 307.324 4.870 50 0 DJAARN COc1c(Cl)cc(C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000000447794 180794296 /nfs/dbraw/zinc/79/42/96/180794296.db2.gz ZVSSBJAZAHHGHS-UHFFFAOYSA-N 0 0 324.207 4.871 50 0 DJAARN Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000000450041 180795105 /nfs/dbraw/zinc/79/51/05/180795105.db2.gz XDAJFHXYXOOVCR-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000000450087 180795126 /nfs/dbraw/zinc/79/51/26/180795126.db2.gz BEUNMVGCYVYVRA-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN Cc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(C)cc1 ZINC000000452127 180795443 /nfs/dbraw/zinc/79/54/43/180795443.db2.gz FZNIQOIZHVQADQ-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN COc1ccc2c(c1)Cc1sc(Nc3cccc(C)c3)nc1-2 ZINC000000478783 180803759 /nfs/dbraw/zinc/80/37/59/180803759.db2.gz VWLFZAIEQFTEHJ-UHFFFAOYSA-N 0 0 308.406 4.775 50 0 DJAARN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1 ZINC000000483533 180804653 /nfs/dbraw/zinc/80/46/53/180804653.db2.gz GUMUTRKQFWRANF-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CCN(CC)C(=O)c1c2cc(OC)ccc2oc1-c1ccccc1 ZINC000000497671 180807750 /nfs/dbraw/zinc/80/77/50/180807750.db2.gz OFYDBUHSZGFDPZ-UHFFFAOYSA-N 0 0 323.392 4.590 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1 ZINC000000609016 180827138 /nfs/dbraw/zinc/82/71/38/180827138.db2.gz QYNXWIJJJLJKTH-UHFFFAOYSA-N 0 0 316.404 4.542 50 0 DJAARN Cc1cc(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12 ZINC000000608943 180827207 /nfs/dbraw/zinc/82/72/07/180827207.db2.gz JRZMUNPIMCBOTG-UHFFFAOYSA-N 0 0 314.768 4.642 50 0 DJAARN Cc1cc(C)cc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1 ZINC000000608553 180827213 /nfs/dbraw/zinc/82/72/13/180827213.db2.gz BMLJQMRUOQMUOY-UHFFFAOYSA-N 0 0 308.377 4.606 50 0 biogenic DJAARN CN(c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(O)cc1 ZINC000000613455 180828817 /nfs/dbraw/zinc/82/88/17/180828817.db2.gz FCEGYDMHSUAVRK-UHFFFAOYSA-N 0 0 316.813 4.937 50 0 DJAARN Cc1cc(SCc2ccc3c(c2)OCO3)nc2ccccc12 ZINC000000619133 180830881 /nfs/dbraw/zinc/83/08/81/180830881.db2.gz UDWACMVKNQIGEX-UHFFFAOYSA-N 0 0 309.390 4.564 50 0 DJAARN CN(C)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000001070642 180845264 /nfs/dbraw/zinc/84/52/64/180845264.db2.gz ASLHLERRRGCLRB-UHFFFAOYSA-N 0 0 305.381 4.550 50 0 DJAARN CCc1ccc(NC(=O)c2c(C)c(Cl)c(C)nc2Cl)cc1 ZINC000001079417 180846033 /nfs/dbraw/zinc/84/60/33/180846033.db2.gz SGYMNDQMDBSFGE-UHFFFAOYSA-N 0 0 323.223 4.820 50 0 DJAARN Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccccn1 ZINC000001106302 180846552 /nfs/dbraw/zinc/84/65/52/180846552.db2.gz OVDQCPMEMVEYAQ-QGZVFWFLSA-N 0 0 320.421 4.529 50 0 DJAARN O=C(NCCC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000001218604 180849886 /nfs/dbraw/zinc/84/98/86/180849886.db2.gz GAKUWTNTHHDTFQ-UHFFFAOYSA-N 0 0 321.464 4.905 50 0 DJAARN COc1ccc2ccccc2c1CNc1ccc2c(c1)CCC2 ZINC000001229311 180850446 /nfs/dbraw/zinc/85/04/46/180850446.db2.gz HWWMSOWFDMJRTQ-UHFFFAOYSA-N 0 0 303.405 4.949 50 0 DJAARN COc1ccc(-c2ccc(C(=O)N(C)c3ccccc3)s2)cc1 ZINC000001396900 180860947 /nfs/dbraw/zinc/86/09/47/180860947.db2.gz UQACYKXZTIJWJD-UHFFFAOYSA-N 0 0 323.417 4.700 50 0 DJAARN CCC1CCC2(CC1)S[C@H](C)C(=O)N2c1ccc(F)cc1 ZINC000001461271 180868026 /nfs/dbraw/zinc/86/80/26/180868026.db2.gz CEAYHPZKJRRVEG-SFYCDEOASA-N 0 0 307.434 4.591 50 0 DJAARN C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000001425936 180865308 /nfs/dbraw/zinc/86/53/08/180865308.db2.gz FOPMICDNDDLANN-OAHLLOKOSA-N 0 0 310.441 4.737 50 0 DJAARN COc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000001937101 180903315 /nfs/dbraw/zinc/90/33/15/180903315.db2.gz ULRPTVGSQTUDQP-YCRREMRBSA-N 0 0 322.191 4.654 50 0 DJAARN Cc1c(C=O)c2ccccc2n1CCCOc1ccccc1C ZINC000002028732 180906916 /nfs/dbraw/zinc/90/69/16/180906916.db2.gz NPTFIAWMUJRLPC-UHFFFAOYSA-N 0 0 307.393 4.540 50 0 DJAARN CC[C@H](C)c1ccc(Cn2c3ccccc3nc2[C@H](C)O)cc1 ZINC000001926812 180902242 /nfs/dbraw/zinc/90/22/42/180902242.db2.gz IBGKULNXBLBYHF-GJZGRUSLSA-N 0 0 308.425 4.651 50 0 DJAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(Cl)n2)cc1 ZINC000002493786 180926997 /nfs/dbraw/zinc/92/69/97/180926997.db2.gz LQQRCXCHOKGLRH-UHFFFAOYSA-N 0 0 310.784 4.781 50 0 DJAARN O=C(NCCCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002493725 180927183 /nfs/dbraw/zinc/92/71/83/180927183.db2.gz BXNIPCKMZMKACH-UHFFFAOYSA-N 0 0 322.235 4.746 50 0 DJAARN CCCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 ZINC000002407956 180923310 /nfs/dbraw/zinc/92/33/10/180923310.db2.gz IAZZYMMMWAOZJH-UHFFFAOYSA-N 0 0 320.371 4.586 50 0 DJAARN O=C(Nc1ccc(Cl)cc1F)C1(c2ccccc2)CCCC1 ZINC000002512730 180928954 /nfs/dbraw/zinc/92/89/54/180928954.db2.gz XQWOSVXVONCPSW-UHFFFAOYSA-N 0 0 317.791 4.930 50 0 DJAARN Cc1cccc(C(=O)CCc2cccc(Br)c2)c1C ZINC000002516713 180930773 /nfs/dbraw/zinc/93/07/73/180930773.db2.gz ZMWPLGFJPCKMJX-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN COc1cccc(CCC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002516531 180930902 /nfs/dbraw/zinc/93/09/02/180930902.db2.gz ZZBYNJBTDWJSFU-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN Clc1cc(Cl)c(Br)c(Br)c1 ZINC000002545242 180933948 /nfs/dbraw/zinc/93/39/48/180933948.db2.gz CDWVWUFIFRXKDL-UHFFFAOYSA-N 0 0 304.796 4.518 50 0 DJAARN O=c1oc(-c2cc3ccccc3o2)nc2sc3c(c21)CCCC3 ZINC000002615807 180939563 /nfs/dbraw/zinc/93/95/63/180939563.db2.gz YNVYCLOWNUHMBI-UHFFFAOYSA-N 0 0 323.373 4.542 50 0 aggregator DJAARN Cc1ccc(OCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000002635610 180942115 /nfs/dbraw/zinc/94/21/15/180942115.db2.gz WAICOFRDYHMZGT-UHFFFAOYSA-N 0 0 324.207 4.709 50 0 DJAARN O=C(CCc1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000002843353 180962617 /nfs/dbraw/zinc/96/26/17/180962617.db2.gz QXBXVCIOJTWABC-UHFFFAOYSA-N 0 0 301.389 4.510 50 0 DJAARN COc1ccc(OCCCCOc2ccccc2Cl)cc1 ZINC000002904333 180969575 /nfs/dbraw/zinc/96/95/75/180969575.db2.gz GDUZGDOEFWJOQR-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN COc1cccc(OCCCCOc2ccccc2Cl)c1 ZINC000002904448 180969607 /nfs/dbraw/zinc/96/96/07/180969607.db2.gz OSJKKRZBWZIIKX-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN COc1cccc(OCCOc2ccc(C)cc2C(C)(C)C)c1 ZINC000002984792 180974186 /nfs/dbraw/zinc/97/41/86/180974186.db2.gz GAHIOTCETBWYJA-UHFFFAOYSA-N 0 0 314.425 4.759 50 0 DJAARN Cc1ccc(OCCCOc2cccc3cccnc32)cc1C ZINC000002994621 180975581 /nfs/dbraw/zinc/97/55/81/180975581.db2.gz VTOXFJAGHCHRAY-UHFFFAOYSA-N 0 0 307.393 4.700 50 0 DJAARN C[C@H]1CC(C)(C)Nc2ccc(OC(=O)c3cccs3)cc21 ZINC000003000148 180976030 /nfs/dbraw/zinc/97/60/30/180976030.db2.gz XJKSVQCSTAJIRK-NSHDSACASA-N 0 0 301.411 4.665 50 0 DJAARN Clc1ccc([C@@H]2NN=C(c3ccccc3)S2)c(Cl)c1 ZINC000003158029 180987510 /nfs/dbraw/zinc/98/75/10/180987510.db2.gz AIOYDHDVQCVGHF-CQSZACIVSA-N 0 0 309.221 4.690 50 0 DJAARN Cc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1C ZINC000003251898 180996099 /nfs/dbraw/zinc/99/60/99/180996099.db2.gz OKGYAEPWAZMINT-UHFFFAOYSA-N 0 0 309.192 4.967 50 0 DJAARN O=C(CSC1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000003264767 180998075 /nfs/dbraw/zinc/99/80/75/180998075.db2.gz DFTQKDGJBZWCTO-UHFFFAOYSA-N 0 0 300.370 4.537 50 0 DJAARN CCC(CC)NC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000003327551 181006283 /nfs/dbraw/zinc/00/62/83/181006283.db2.gz MGGWWSKNYAEXHZ-UHFFFAOYSA-N 0 0 314.454 4.954 50 0 DJAARN Brc1ccccc1-c1csc(-c2ccccn2)n1 ZINC000003325943 181005256 /nfs/dbraw/zinc/00/52/56/181005256.db2.gz HUVFOHJGDUBSEC-UHFFFAOYSA-N 0 0 317.211 4.635 50 0 DJAARN C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(Cl)c23)C1 ZINC000003327226 181006288 /nfs/dbraw/zinc/00/62/88/181006288.db2.gz HZZGYTUOFJPWLV-VIFPVBQESA-N 0 0 315.829 4.532 50 0 DJAARN CC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc32)cc1 ZINC000003329753 181006221 /nfs/dbraw/zinc/00/62/21/181006221.db2.gz YIQHRBUTKXMIED-UHFFFAOYSA-N 0 0 312.756 4.639 50 0 DJAARN Cc1ccc(C)c(OC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000003368976 181012236 /nfs/dbraw/zinc/01/22/36/181012236.db2.gz LATQHTPKNPLVII-UHFFFAOYSA-N 0 0 309.192 4.758 50 0 DJAARN c1ccc2c(c1)oc1c2ncnc1Oc1cccc2cccnc21 ZINC000003370153 181012307 /nfs/dbraw/zinc/01/23/07/181012307.db2.gz PHDDAIDFJVHXIL-UHFFFAOYSA-N 0 0 313.316 4.717 50 0 DJAARN Cc1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000003376792 181013071 /nfs/dbraw/zinc/01/30/71/181013071.db2.gz YMAFYJRLBGYKEY-UHFFFAOYSA-N 0 0 323.223 4.661 50 0 DJAARN Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000003382473 181013407 /nfs/dbraw/zinc/01/34/07/181013407.db2.gz TUHVWIWVTMOCEI-LLVKDONJSA-N 0 0 324.207 4.708 50 0 DJAARN Cc1ccccc1NC(=O)CSc1ccc2ccccc2c1 ZINC000003382555 181013545 /nfs/dbraw/zinc/01/35/45/181013545.db2.gz PIKKWWIHITWDKO-UHFFFAOYSA-N 0 0 307.418 4.879 50 0 DJAARN Cc1noc(C)c1CSc1nc(-c2ccc(F)cc2)cs1 ZINC000003332663 181006574 /nfs/dbraw/zinc/00/65/74/181006574.db2.gz LQWXUEPXNBCCAV-UHFFFAOYSA-N 0 0 320.414 4.846 50 0 DJAARN Brc1ccc(-c2csc(-c3ccccn3)n2)s1 ZINC000003339348 181008672 /nfs/dbraw/zinc/00/86/72/181008672.db2.gz BBFAEMARMSPUML-UHFFFAOYSA-N 0 0 323.240 4.696 50 0 DJAARN Cc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c(C)o1 ZINC000003348663 181009688 /nfs/dbraw/zinc/00/96/88/181009688.db2.gz MQESJMVVECUSLT-UHFFFAOYSA-N 0 0 319.404 4.758 50 0 DJAARN Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003351836 181010515 /nfs/dbraw/zinc/01/05/15/181010515.db2.gz IVJSOEWOSSSYHP-QGZVFWFLSA-N 0 0 305.377 4.549 50 0 DJAARN COc1ccccc1CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003359442 181010943 /nfs/dbraw/zinc/01/09/43/181010943.db2.gz UBJHLMWGEDVXQL-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CSCc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000003407234 181015615 /nfs/dbraw/zinc/01/56/15/181015615.db2.gz GNNXKIBJTUFYPV-UHFFFAOYSA-N 0 0 305.830 4.764 50 0 DJAARN COc1ccccc1-c1csc(N[C@H](C)c2ccccc2)n1 ZINC000003417175 181016974 /nfs/dbraw/zinc/01/69/74/181016974.db2.gz XCPUNGSBKOGZME-CYBMUJFWSA-N 0 0 310.422 4.992 50 0 DJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(F)cc1F ZINC000003428469 181017997 /nfs/dbraw/zinc/01/79/97/181017997.db2.gz CHHYWSCADWMEPG-UHFFFAOYSA-N 0 0 323.770 4.995 50 0 DJAARN Cc1ccsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003426908 181018085 /nfs/dbraw/zinc/01/80/85/181018085.db2.gz CNIWRFVUDQMVKF-UHFFFAOYSA-N 0 0 319.735 4.981 50 0 DJAARN Cc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000003431128 181018993 /nfs/dbraw/zinc/01/89/93/181018993.db2.gz PAJQRKQJCDCLSG-GFCCVEGCSA-N 0 0 321.779 4.502 50 0 DJAARN C[C@@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1Cl ZINC000003435529 181019583 /nfs/dbraw/zinc/01/95/83/181019583.db2.gz IJJKZAAJCZGWRE-GFCCVEGCSA-N 0 0 311.768 4.806 50 0 DJAARN CSc1ccccc1C(=O)OCc1cccc2ccccc21 ZINC000003436737 181019721 /nfs/dbraw/zinc/01/97/21/181019721.db2.gz UMEHLZGZQRDEPQ-UHFFFAOYSA-N 0 0 308.402 4.919 50 0 DJAARN Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccccc1Cl ZINC000003441664 181020303 /nfs/dbraw/zinc/02/03/03/181020303.db2.gz ABLKIUUMAGHYIY-UHFFFAOYSA-N 0 0 317.845 4.512 50 0 DJAARN O=C(NCC1CCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000003451730 181022057 /nfs/dbraw/zinc/02/20/57/181022057.db2.gz YPCMIIHRXSCMEG-UHFFFAOYSA-N 0 0 309.409 4.789 50 0 DJAARN CC(C)(C)c1csc(NC(=O)c2cc3c(s2)CCCC3)n1 ZINC000003528667 181030290 /nfs/dbraw/zinc/03/02/90/181030290.db2.gz GLHGGRXHLBRFTM-UHFFFAOYSA-N 0 0 320.483 4.633 50 0 DJAARN Cc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)c(C)c1 ZINC000003482526 181025310 /nfs/dbraw/zinc/02/53/10/181025310.db2.gz FCJMDNLFAQHACO-UHFFFAOYSA-N 0 0 308.208 4.791 50 0 DJAARN O=C(Cc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000003549500 181032817 /nfs/dbraw/zinc/03/28/17/181032817.db2.gz ZYXCROLBWSTJHJ-UHFFFAOYSA-N 0 0 313.706 4.540 50 0 DJAARN COc1cccc(/C=C/C(=O)Nc2cccc3ccccc32)c1 ZINC000003549123 181033051 /nfs/dbraw/zinc/03/30/51/181033051.db2.gz HDXBAOYPFTYLOW-OUKQBFOZSA-N 0 0 303.361 4.500 50 0 DJAARN CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000003552410 181033437 /nfs/dbraw/zinc/03/34/37/181033437.db2.gz GFYJFCLWQQKBHO-UHFFFAOYSA-N 0 0 323.392 4.540 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC000003566704 181035757 /nfs/dbraw/zinc/03/57/57/181035757.db2.gz FYDXDRBUJXHHKJ-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000003566911 181035926 /nfs/dbraw/zinc/03/59/26/181035926.db2.gz CNOKJNMFMUQHON-AWEZNQCLSA-N 0 0 323.864 4.645 50 0 DJAARN Cc1ccc([C@@H]2CCN(C(=S)Nc3ccc(C)cc3C)C2)cc1 ZINC000003588651 181037683 /nfs/dbraw/zinc/03/76/83/181037683.db2.gz IAZUROCNYZIDPQ-GOSISDBHSA-N 0 0 324.493 4.798 50 0 DJAARN CCC(=O)c1ccc(OC(=O)C=Cc2cccc(Cl)c2)cc1 ZINC000003603433 181038881 /nfs/dbraw/zinc/03/88/81/181038881.db2.gz SXRKDXJGPFZOFC-IZZDOVSWSA-N 0 0 314.768 4.552 50 0 DJAARN CN(Cc1cccs1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003534434 181031333 /nfs/dbraw/zinc/03/13/33/181031333.db2.gz VVTXVHJSBSMZNA-UHFFFAOYSA-N 0 0 323.417 4.813 50 0 DJAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1 ZINC000003655320 181044450 /nfs/dbraw/zinc/04/44/50/181044450.db2.gz PPTMGQARSAVBJO-UHFFFAOYSA-N 0 0 321.376 4.567 50 0 DJAARN CCCCCC1CCC(c2nnc(SCC(C)=O)o2)CC1 ZINC000004036618 181066279 /nfs/dbraw/zinc/06/62/79/181066279.db2.gz FLDWBATWVNPKQH-UHFFFAOYSA-N 0 0 310.463 4.605 50 0 DJAARN CCOc1cccc(=O)c2c(C)n(-c3ccc(C)c(C)c3)c(C)c21 ZINC000003998662 181060422 /nfs/dbraw/zinc/06/04/22/181060422.db2.gz QGWBGKAIIIBRAJ-UHFFFAOYSA-N 0 0 321.420 4.623 50 0 DJAARN CC1(C)Cc2c(cnn2-c2ccccc2)-c2[nH]c3ccccc3c21 ZINC000004006378 181061379 /nfs/dbraw/zinc/06/13/79/181061379.db2.gz UPSBBLMQRIDSSF-UHFFFAOYSA-N 0 0 313.404 4.854 50 0 DJAARN Clc1ncc(COc2ccc(Cl)c3cccnc23)s1 ZINC000004052797 181067435 /nfs/dbraw/zinc/06/74/35/181067435.db2.gz RDKQZRYXHDFWBC-UHFFFAOYSA-N 0 0 311.193 4.577 50 0 DJAARN O[C@@H]1c2ccccc2OC/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000004060881 181068143 /nfs/dbraw/zinc/06/81/43/181068143.db2.gz DUQAGDYANRZHJS-BPLPYTOXSA-N 0 0 307.176 4.503 50 0 DJAARN O=C(CCC1CCCC1)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004138173 181078177 /nfs/dbraw/zinc/07/81/77/181078177.db2.gz TUGKPTOSSXIYOX-UHFFFAOYSA-N 0 0 324.468 4.633 50 0 DJAARN CC(C)CC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000004155572 181079235 /nfs/dbraw/zinc/07/92/35/181079235.db2.gz UMSPPANXAMBECX-UHFFFAOYSA-N 0 0 310.422 4.948 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000004155847 181079881 /nfs/dbraw/zinc/07/98/81/181079881.db2.gz RWJMFVKTBCCTAR-UHFFFAOYSA-N 0 0 311.168 4.646 50 0 DJAARN CCCCCCOc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004185398 181083370 /nfs/dbraw/zinc/08/33/70/181083370.db2.gz GDAQWAAPKYPCOU-IRXDYDNUSA-N 0 0 317.473 4.764 50 0 DJAARN Cc1cc(Cl)cc2sc(NC(=O)c3cccs3)nc21 ZINC000004264255 181089661 /nfs/dbraw/zinc/08/96/61/181089661.db2.gz VWCPZAFVWATXBK-UHFFFAOYSA-N 0 0 308.815 4.572 50 0 DJAARN Cc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1Cl ZINC000004268708 181089777 /nfs/dbraw/zinc/08/97/77/181089777.db2.gz DJMLAVRCPGJVRG-UHFFFAOYSA-N 0 0 324.815 4.794 50 0 DJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=S)Nc1cccc(F)c1 ZINC000004322653 181097889 /nfs/dbraw/zinc/09/78/89/181097889.db2.gz IETJHKSEQGKSOZ-DAXOMENPSA-N 0 0 308.466 4.573 50 0 DJAARN CCc1cccc2sc(NC(=O)c3ccc(Cl)s3)nc21 ZINC000004348425 181101317 /nfs/dbraw/zinc/10/13/17/181101317.db2.gz VHUUAZNJTJRLGJ-UHFFFAOYSA-N 0 0 322.842 4.826 50 0 DJAARN CCSc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004418986 181108148 /nfs/dbraw/zinc/10/81/48/181108148.db2.gz KMPWRYWCGCHIRT-UHFFFAOYSA-N 0 0 315.482 4.954 50 0 DJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(C)C)cc1 ZINC000004419865 181108903 /nfs/dbraw/zinc/10/89/03/181108903.db2.gz YGDLCDCEUBOTLT-AZUAARDMSA-N 0 0 306.409 4.521 50 0 DJAARN COc1cc(C)c2c(c1)CC[C@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]21 ZINC000004369933 181103089 /nfs/dbraw/zinc/10/30/89/181103089.db2.gz LHXMMRGMJDCCPZ-SQAAOVBZSA-N 0 0 314.469 4.611 50 0 DJAARN CC(C)c1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C)cc1 ZINC000004389067 181106072 /nfs/dbraw/zinc/10/60/72/181106072.db2.gz AMUNDWYSBUXTHK-TZIWHRDSSA-N 0 0 304.437 4.763 50 0 DJAARN Clc1ccc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000004539516 181121659 /nfs/dbraw/zinc/12/16/59/181121659.db2.gz VBPJQOIMPRSODG-UHFFFAOYSA-N 0 0 321.163 4.622 50 0 DJAARN O=C(/C=C/c1cccc(F)c1)Nc1ccc(Cl)cc1Cl ZINC000004542914 181122433 /nfs/dbraw/zinc/12/24/33/181122433.db2.gz 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CCOC(=O)c1cc(/C=C/c2cccs2)nc2ccccc21 ZINC000004948021 181178331 /nfs/dbraw/zinc/17/83/31/181178331.db2.gz JRVZXRJMAKEHSN-MDZDMXLPSA-N 0 0 309.390 4.643 50 0 DJAARN Cc1ccc2nc(Cl)c3cc(C(=O)NC(C)C)sc3c2c1 ZINC000004961549 181179643 /nfs/dbraw/zinc/17/96/43/181179643.db2.gz FKOKDOXWNMETAM-UHFFFAOYSA-N 0 0 318.829 4.550 50 0 DJAARN Oc1ccc(C23CC4CC(C2)CC(c2ccc(O)cc2)(C4)C3)cc1 ZINC000004975489 181182878 /nfs/dbraw/zinc/18/28/78/181182878.db2.gz DNLWYVQYADCTEU-UHFFFAOYSA-N 0 0 320.432 4.887 50 0 DJAARN COc1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1 ZINC000004978603 181183686 /nfs/dbraw/zinc/18/36/86/181183686.db2.gz AMTVAKQKFGGYJE-DHZHZOJOSA-N 0 0 312.756 4.569 50 0 DJAARN CCn1ccc2cc(CCC(=O)Nc3ccc(F)cc3C)ccc21 ZINC000075550632 191490618 /nfs/dbraw/zinc/49/06/18/191490618.db2.gz LRUCHPNUXZYGMO-UHFFFAOYSA-N 0 0 324.399 4.680 50 0 DJAARN Nc1ccc(C23CC4CC(C2)CC(c2ccc(N)cc2)(C4)C3)cc1 ZINC000005023727 181192777 /nfs/dbraw/zinc/19/27/77/181192777.db2.gz LALHUWOVOZGIAW-UHFFFAOYSA-N 0 0 318.464 4.641 50 0 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O=C(Nc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1 ZINC000005299967 181227773 /nfs/dbraw/zinc/22/77/73/181227773.db2.gz FIZBGICLEFIIKN-UHFFFAOYSA-N 0 0 303.724 4.604 50 0 DJAARN COc1cc2c(cc1OC)-c1cc(-c3ccccc3F)cn1CC2 ZINC000005306762 181228370 /nfs/dbraw/zinc/22/83/70/181228370.db2.gz JCWMWIQEVHXWDB-UHFFFAOYSA-N 0 0 323.367 4.535 50 0 DJAARN Cc1ccc(Nc2cc(C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000005305654 181228521 /nfs/dbraw/zinc/22/85/21/181228521.db2.gz VMTCRPKHJXOROF-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN CC(C)CNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000005350271 181233029 /nfs/dbraw/zinc/23/30/29/181233029.db2.gz SCVBHABKDAXCJZ-UHFFFAOYSA-N 0 0 323.352 4.811 50 0 DJAARN COc1ccc2cc(C(=O)Nc3ccc4ccccc4c3)[nH]c2c1 ZINC000005347740 181233196 /nfs/dbraw/zinc/23/31/96/181233196.db2.gz CQSPUFYULVWUKU-UHFFFAOYSA-N 0 0 316.360 4.582 50 0 DJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2ccccc2c1 ZINC000005442905 181244483 /nfs/dbraw/zinc/24/44/83/181244483.db2.gz OQPHLFXPOFJCNI-FQEVSTJZSA-N 0 0 301.389 4.647 50 0 DJAARN 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4.973 50 0 DJAARN CCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000017044835 182070996 /nfs/dbraw/zinc/07/09/96/182070996.db2.gz KFGMJMIKMXPYHF-UHFFFAOYSA-N 0 0 324.837 4.568 50 0 DJAARN Cc1cccc(NC(=O)N(C2=NCCC2)c2cc(C)cc(C)c2)c1 ZINC000017135388 182077267 /nfs/dbraw/zinc/07/72/67/182077267.db2.gz MMZPHTYCGOKRSH-UHFFFAOYSA-N 0 0 321.424 4.843 50 0 DJAARN CCCCc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 ZINC000017052745 182071583 /nfs/dbraw/zinc/07/15/83/182071583.db2.gz AYZCNFLUQRVFQW-UHFFFAOYSA-N 0 0 314.404 4.533 50 0 DJAARN CC(C)c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000017054115 182072160 /nfs/dbraw/zinc/07/21/60/182072160.db2.gz NZECUVLONVJARU-UHFFFAOYSA-N 0 0 316.832 4.828 50 0 DJAARN CCOC(=O)Nc1ccc(C=Cc2ccnc3ccccc23)cc1 ZINC000017062619 182074359 /nfs/dbraw/zinc/07/43/59/182074359.db2.gz NRWCTHPLBDZPCS-YFHOEESVSA-N 0 0 318.376 4.974 50 0 DJAARN Cc1csc(N(C(=O)Cc2ccc(C)cc2)c2ccccc2)n1 ZINC000017343860 182083802 /nfs/dbraw/zinc/08/38/02/182083802.db2.gz UHAQGFKCKDTIPB-UHFFFAOYSA-N 0 0 322.433 4.667 50 0 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CSc1cccc(NC(=O)Nc2cccc(SC)c2)c1 ZINC000019894167 182161691 /nfs/dbraw/zinc/16/16/91/182161691.db2.gz IGOMJEMWESWJJS-UHFFFAOYSA-N 0 0 304.440 4.774 50 0 DJAARN Cc1ccc(C2(C(=O)Nc3ccc(N(C)C)cc3)CCCC2)cc1 ZINC000020096543 182186069 /nfs/dbraw/zinc/18/60/69/182186069.db2.gz HKVLPCOBAZXENY-UHFFFAOYSA-N 0 0 322.452 4.512 50 0 DJAARN CC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C)cc1 ZINC000020573052 182234071 /nfs/dbraw/zinc/23/40/71/182234071.db2.gz DXTFURVZCUSFNJ-IBGZPJMESA-N 0 0 308.425 4.757 50 0 DJAARN O=C(c1sc2ccccc2c1Cl)N1CCCCCCC1 ZINC000020496455 182225157 /nfs/dbraw/zinc/22/51/57/182225157.db2.gz UEMYLRKZLHZIPU-UHFFFAOYSA-N 0 0 307.846 4.961 50 0 DJAARN O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCCc2ccccc21 ZINC000020533663 182228004 /nfs/dbraw/zinc/22/80/04/182228004.db2.gz WLHFGQQETYFDDJ-HNNXBMFYSA-N 0 0 318.779 4.678 50 0 DJAARN CC(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 ZINC000020550160 182230387 /nfs/dbraw/zinc/23/03/87/182230387.db2.gz QTYPWWSCLAZZFG-UHFFFAOYSA-N 0 0 318.461 4.906 50 0 DJAARN Cc1sc2c(c1C)CSC(C(=O)Nc1ccccc1C)=C2 ZINC000020557306 182231219 /nfs/dbraw/zinc/23/12/19/182231219.db2.gz STSWURURZMFEOO-UHFFFAOYSA-N 0 0 315.463 4.900 50 0 DJAARN FC(F)(F)[C@H]1C[C@@H](c2ccc3ccccc3c2)Nc2ccnn21 ZINC000020616568 182239704 /nfs/dbraw/zinc/23/97/04/182239704.db2.gz IWVIZPHXPANUGW-LSDHHAIUSA-N 0 0 317.314 4.697 50 0 DJAARN Fc1ccc(-c2ccc(NCc3ccccc3Cl)nn2)cc1 ZINC000020730042 182244218 /nfs/dbraw/zinc/24/42/18/182244218.db2.gz DBJWWRVBVCRVTJ-UHFFFAOYSA-N 0 0 313.763 4.548 50 0 DJAARN O=C(Nc1ccccc1)c1ccc2c(c1)noc2-c1ccccc1 ZINC000020853621 182249510 /nfs/dbraw/zinc/24/95/10/182249510.db2.gz JSYHWBHNGFJZHN-UHFFFAOYSA-N 0 0 314.344 4.747 50 0 DJAARN CC(=O)Nc1ccc(NCc2c(Cl)cccc2Cl)cc1 ZINC000021039496 182262992 /nfs/dbraw/zinc/26/29/92/182262992.db2.gz YGNTXKNERASYPI-UHFFFAOYSA-N 0 0 309.196 4.564 50 0 DJAARN Cc1ccc2c(=O)cc(CSCc3ccccc3)[nH]c2c1C ZINC000021098784 182265290 /nfs/dbraw/zinc/26/52/90/182265290.db2.gz LFNFDBSPDSCNCC-UHFFFAOYSA-N 0 0 309.434 4.578 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)Nc1nc2c(s1)CCCC2 ZINC000021087776 182264788 /nfs/dbraw/zinc/26/47/88/182264788.db2.gz WYOYYEFZRAJNCB-UHFFFAOYSA-N 0 0 321.833 4.628 50 0 DJAARN COC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1Cl ZINC000097757065 193754442 /nfs/dbraw/zinc/75/44/42/193754442.db2.gz RZXYRCGVLJSPIF-UHFFFAOYSA-N 0 0 314.690 4.812 50 0 DJAARN Cc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)n2cccc2)cc1 ZINC000020997968 182258281 /nfs/dbraw/zinc/25/82/81/182258281.db2.gz VPYLHQLKPGSKSJ-HXUWFJFHSA-N 0 0 318.420 4.723 50 0 DJAARN Cc1cccc([C@H](CC(=O)Nc2ccccc2C)n2cccc2)c1 ZINC000020999012 182259059 /nfs/dbraw/zinc/25/90/59/182259059.db2.gz VQMNRIZMZWVWEC-FQEVSTJZSA-N 0 0 318.420 4.723 50 0 DJAARN CC(C)c1cc([C@@H]2CCCN2Cc2cccc(Cl)c2)no1 ZINC000021720248 182286317 /nfs/dbraw/zinc/28/63/17/182286317.db2.gz VSDAANXRJRVHDU-INIZCTEOSA-N 0 0 304.821 4.789 50 0 DJAARN Cc1ccc(-c2csc3ncn(C4CCCC4)c(=O)c23)cc1 ZINC000021525250 182278234 /nfs/dbraw/zinc/27/82/34/182278234.db2.gz KGQWPOPXZAXOTE-UHFFFAOYSA-N 0 0 310.422 4.549 50 0 DJAARN Cc1cc(C)cc(Nc2cc(C(=O)Nc3ccccc3)ccn2)c1 ZINC000021533584 182279167 /nfs/dbraw/zinc/27/91/67/182279167.db2.gz IHJMIJMHUQFQEX-UHFFFAOYSA-N 0 0 317.392 4.694 50 0 DJAARN CCCCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000021642975 182281960 /nfs/dbraw/zinc/28/19/60/182281960.db2.gz YVVSSGJDPYHKHV-UHFFFAOYSA-N 0 0 301.390 4.709 50 0 DJAARN CC[C@H](C)Nc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000021642959 182282242 /nfs/dbraw/zinc/28/22/42/182282242.db2.gz YDEOVWMIAQPBPX-JTQLQIEISA-N 0 0 301.390 4.708 50 0 DJAARN CC(C)c1cc([C@H]2CCCN2Cc2cccc(Cl)c2)no1 ZINC000021720250 182286678 /nfs/dbraw/zinc/28/66/78/182286678.db2.gz VSDAANXRJRVHDU-MRXNPFEDSA-N 0 0 304.821 4.789 50 0 DJAARN Cc1cc(Nc2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021798971 182290615 /nfs/dbraw/zinc/29/06/15/182290615.db2.gz UMISHXVFSOVLRM-UHFFFAOYSA-N 0 0 318.355 4.587 50 0 DJAARN CC(C)CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000021841213 182294814 /nfs/dbraw/zinc/29/48/14/182294814.db2.gz BXKAMZQWIHHHFA-IBGZPJMESA-N 0 0 315.844 4.982 50 0 DJAARN Cc1ccnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 ZINC000021877316 182296402 /nfs/dbraw/zinc/29/64/02/182296402.db2.gz CPSBTXOVWLCKGF-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN C[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1 ZINC000021890329 182296508 /nfs/dbraw/zinc/29/65/08/182296508.db2.gz UVVSJCHIXMCVEY-OAHLLOKOSA-N 0 0 317.392 4.586 50 0 DJAARN O=C(CCc1ccc(Cl)cc1)Nc1cccc(Cl)c1F ZINC000021974001 182300739 /nfs/dbraw/zinc/30/07/39/182300739.db2.gz ZXQCEGKVZNBMJH-UHFFFAOYSA-N 0 0 312.171 4.704 50 0 DJAARN O=C(Nc1ccccc1O)c1ccc(-c2ccc(F)cc2)s1 ZINC000022024246 182304506 /nfs/dbraw/zinc/30/45/06/182304506.db2.gz BNKBNHLBLBYUTC-UHFFFAOYSA-N 0 0 313.353 4.512 50 0 DJAARN O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1cccs1 ZINC000022131869 182309781 /nfs/dbraw/zinc/30/97/81/182309781.db2.gz QMWITYUCLIKUAN-ZDUSSCGKSA-N 0 0 309.793 4.518 50 0 DJAARN CN(Cc1ccsc1)C(=O)c1ccccc1Oc1ccccc1 ZINC000021935656 182298625 /nfs/dbraw/zinc/29/86/25/182298625.db2.gz QLPCMOIMEOHPQQ-UHFFFAOYSA-N 0 0 323.417 4.813 50 0 DJAARN CCC[C@H](C)NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022330343 182318958 /nfs/dbraw/zinc/31/89/58/182318958.db2.gz QKLPXNBZJMEASY-ZDUSSCGKSA-N 0 0 314.429 4.558 50 0 DJAARN C[C@@H](NC(=O)c1ccc(-c2ccc(F)c(F)c2)s1)C(C)(C)C ZINC000022345236 182319552 /nfs/dbraw/zinc/31/95/52/182319552.db2.gz RYDUVYDFXDZXRG-SNVBAGLBSA-N 0 0 323.408 4.858 50 0 DJAARN CC(C)(C)CCNC(=O)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000022341510 182319765 /nfs/dbraw/zinc/31/97/65/182319765.db2.gz HXPYJIHFYMRYOI-UHFFFAOYSA-N 0 0 323.408 4.859 50 0 DJAARN Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)c(F)c1 ZINC000022398125 182320978 /nfs/dbraw/zinc/32/09/78/182320978.db2.gz OCEROVBMOULZHK-UHFFFAOYSA-N 0 0 304.173 4.755 50 0 DJAARN C[C@@]1(C(=O)Nc2cccc(Cl)c2Cl)CC1(Cl)Cl ZINC000022189761 182312593 /nfs/dbraw/zinc/31/25/93/182312593.db2.gz TWTYJNGSMSFUSZ-JTQLQIEISA-N 0 0 313.011 4.516 50 0 DJAARN CCc1cccc2sc(NC(=O)/C=C\c3ccccc3)nc21 ZINC000022610529 182327794 /nfs/dbraw/zinc/32/77/94/182327794.db2.gz XGSDBJXKSNVPTK-QXMHVHEDSA-N 0 0 308.406 4.511 50 0 DJAARN Cc1cc2nc(-c3ccc(Br)cc3)oc2c(C)c1 ZINC000022624048 182329219 /nfs/dbraw/zinc/32/92/19/182329219.db2.gz GDNNTRKYXDXHFC-UHFFFAOYSA-N 0 0 302.171 4.874 50 0 DJAARN Cc1cc2nc(-c3ccccc3Br)oc2c(C)c1 ZINC000022629842 182329429 /nfs/dbraw/zinc/32/94/29/182329429.db2.gz LRNPQVCRYOXQGR-UHFFFAOYSA-N 0 0 302.171 4.874 50 0 DJAARN C[C@@H](NC(=O)c1cc(-c2ccc3ccccc3c2)on1)C(C)(C)C ZINC000022638134 182329900 /nfs/dbraw/zinc/32/99/00/182329900.db2.gz HDYPIBNTVJIQPU-CYBMUJFWSA-N 0 0 322.408 4.659 50 0 DJAARN CCCCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C)nn21 ZINC000023114993 182348867 /nfs/dbraw/zinc/34/88/67/182348867.db2.gz QLKIXQXKQQSWHK-UHFFFAOYSA-N 0 0 322.456 4.924 50 0 DJAARN COc1ccc(-c2csc(Nc3ccccn3)n2)cc1Cl ZINC000023625577 182364742 /nfs/dbraw/zinc/36/47/42/182364742.db2.gz MUKNQBRSTFMKMK-UHFFFAOYSA-N 0 0 317.801 4.611 50 0 DJAARN Fc1c(F)c(F)c(/C=C/c2nc3ccccc3o2)c(F)c1F ZINC000023986972 182370817 /nfs/dbraw/zinc/37/08/17/182370817.db2.gz POFPNMBFBFRCJN-AATRIKPKSA-N 0 0 311.209 4.694 50 0 DJAARN COc1ccc2c(c1)nc(C(F)(F)F)cc2-c1cccs1 ZINC000024926964 182395066 /nfs/dbraw/zinc/39/50/66/182395066.db2.gz OVYZDUQPRBFTRW-UHFFFAOYSA-N 0 0 309.312 4.991 50 0 DJAARN Cc1cccc2sc(C(=O)Nc3ccccc3O)c(Cl)c21 ZINC000024926517 182395353 /nfs/dbraw/zinc/39/53/53/182395353.db2.gz GYKDPPOHMXTNSL-UHFFFAOYSA-N 0 0 317.797 4.821 50 0 DJAARN Cc1ccc(/C=C\C(=O)N(Cc2sccc2C)C(C)C)s1 ZINC000098055240 193779193 /nfs/dbraw/zinc/77/91/93/193779193.db2.gz RWXXQSMABUZBKN-FPLPWBNLSA-N 0 0 319.495 4.877 50 0 DJAARN Cc1ccsc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000025283332 182407218 /nfs/dbraw/zinc/40/72/18/182407218.db2.gz GCONJAVSQJHQLS-GOSISDBHSA-N 0 0 321.445 4.770 50 0 DJAARN CC(C)(C)OC(=O)N1C=Cc2ccccc2[C@@H]1OC(C)(C)C ZINC000025756974 182421828 /nfs/dbraw/zinc/42/18/28/182421828.db2.gz RKFZTABXZXYIOJ-HNNXBMFYSA-N 0 0 303.402 4.722 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c2cccnc12 ZINC000031082805 182606120 /nfs/dbraw/zinc/60/61/20/182606120.db2.gz ZULROECOUPSOFN-UHFFFAOYSA-N 0 0 320.392 4.583 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000032824767 182668253 /nfs/dbraw/zinc/66/82/53/182668253.db2.gz HGEZMBRCEWIPHB-MRXNPFEDSA-N 0 0 322.452 4.706 50 0 DJAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032796207 182664948 /nfs/dbraw/zinc/66/49/48/182664948.db2.gz VDPPQWKSYPYKFF-MRXNPFEDSA-N 0 0 320.219 4.971 50 0 DJAARN CC(C)c1nnc(S[C@@H]2CCCc3ccccc32)n1C1CC1 ZINC000032931641 182682557 /nfs/dbraw/zinc/68/25/57/182682557.db2.gz IBBLPVSIZMUNRZ-MRXNPFEDSA-N 0 0 313.470 4.906 50 0 DJAARN Cc1ccccc1OCc1noc(-c2ccc3ccccc3c2)n1 ZINC000034907013 182742802 /nfs/dbraw/zinc/74/28/02/182742802.db2.gz GJJQHVCKPLTWKG-UHFFFAOYSA-N 0 0 316.360 4.777 50 0 DJAARN CC(C)c1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000035672116 182785655 /nfs/dbraw/zinc/78/56/55/182785655.db2.gz PEVNIBGWXFEITO-UHFFFAOYSA-N 0 0 312.344 4.578 50 0 DJAARN Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000036616855 182829050 /nfs/dbraw/zinc/82/90/50/182829050.db2.gz PYXCFKLQMFDPDM-UHFFFAOYSA-N 0 0 307.731 4.535 50 0 DJAARN CCCc1nnc(-c2ccc3cc(Br)ccc3c2)o1 ZINC000038537399 183001559 /nfs/dbraw/zinc/00/15/59/183001559.db2.gz ORSPKALGMVYIPE-UHFFFAOYSA-N 0 0 317.186 4.605 50 0 DJAARN CC(C)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000038537428 183001638 /nfs/dbraw/zinc/00/16/38/183001638.db2.gz GGCWJHRAPQNBDE-UHFFFAOYSA-N 0 0 314.223 4.599 50 0 DJAARN Cc1cc2cc(NC(=O)c3ccc(F)cc3Cl)ccc2[nH]1 ZINC000040072698 183031173 /nfs/dbraw/zinc/03/11/73/183031173.db2.gz RWVGPJQEOAKPMU-UHFFFAOYSA-N 0 0 302.736 4.521 50 0 DJAARN Cc1ccc(-c2nc(CSc3ccc(F)c(F)c3)no2)cc1 ZINC000040050118 183029869 /nfs/dbraw/zinc/02/98/69/183029869.db2.gz WBSNPMLRZSBIFU-UHFFFAOYSA-N 0 0 318.348 4.616 50 0 DJAARN CC(C)c1ccc(CN(C)C(=O)c2cccc3ncccc32)cc1 ZINC000040047251 183030019 /nfs/dbraw/zinc/03/00/19/183030019.db2.gz ZBVPPUVGIFUUJG-UHFFFAOYSA-N 0 0 318.420 4.630 50 0 DJAARN CC(C)=CCCC1=CC[C@@H](S(=O)(=O)c2ccccc2)CC1 ZINC000039424379 183017972 /nfs/dbraw/zinc/01/79/72/183017972.db2.gz XFJZNCBKJHAYCD-GOSISDBHSA-N 0 0 304.455 4.686 50 0 DJAARN CCSc1nnc(S[C@@H](C)c2ccc(F)cc2)s1 ZINC000040161895 183041727 /nfs/dbraw/zinc/04/17/27/183041727.db2.gz AXNLOROWZJQKET-QMMMGPOBSA-N 0 0 300.449 4.643 50 0 DJAARN CCSc1nnc(S[C@H](C)c2ccc(F)cc2)s1 ZINC000040161896 183042243 /nfs/dbraw/zinc/04/22/43/183042243.db2.gz AXNLOROWZJQKET-MRVPVSSYSA-N 0 0 300.449 4.643 50 0 DJAARN CC(C)(C)[C@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000040088006 183033047 /nfs/dbraw/zinc/03/30/47/183033047.db2.gz GWARMQCUTNKSKD-QGZVFWFLSA-N 0 0 301.455 4.584 50 0 DJAARN CCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1Cl ZINC000040097507 183033997 /nfs/dbraw/zinc/03/39/97/183033997.db2.gz IMFZMUULWALSRO-UHFFFAOYSA-N 0 0 306.768 4.533 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)N(C)CCCc1ccccc1 ZINC000040105500 183035185 /nfs/dbraw/zinc/03/51/85/183035185.db2.gz DCSITHJBFMMYTO-UHFFFAOYSA-N 0 0 316.832 4.745 50 0 DJAARN O=C(Nc1cccc(Cl)c1F)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000040103688 183035699 /nfs/dbraw/zinc/03/56/99/183035699.db2.gz WPKOWGDXMOCUBU-VXGBXAGGSA-N 0 0 310.800 4.523 50 0 DJAARN CN(c1ccccc1)c1ccccc1NC(=O)Cc1cccs1 ZINC000040114459 183036805 /nfs/dbraw/zinc/03/68/05/183036805.db2.gz CCHWDRIIFHNEDO-UHFFFAOYSA-N 0 0 322.433 4.697 50 0 DJAARN CCc1nc(NC(=O)c2cc(Cl)ccc2Cl)sc1C ZINC000040118966 183037582 /nfs/dbraw/zinc/03/75/82/183037582.db2.gz CQYNPTSVQDOXGO-UHFFFAOYSA-N 0 0 315.225 4.573 50 0 DJAARN Cc1ccc(C)c([C@H](C)N[C@@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000040468534 183073566 /nfs/dbraw/zinc/07/35/66/183073566.db2.gz PCUZXESFAKORAE-HOTGVXAUSA-N 0 0 321.424 4.765 50 0 DJAARN S=C1OC(c2ccccc2)N=C1c1nc2ccccc2s1 ZINC000041154873 183178290 /nfs/dbraw/zinc/17/82/90/183178290.db2.gz KSNLMOCYEQGCFL-UHFFFAOYSA-N 0 0 310.403 4.907 50 0 DJAARN Cc1ccc(-c2nc3nc(-c4ccccc4)nc(Cl)c3o2)cc1 ZINC000041154756 183178730 /nfs/dbraw/zinc/17/87/30/183178730.db2.gz KMLPJLWCIFIOSJ-UHFFFAOYSA-N 0 0 321.767 4.914 50 0 DJAARN Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(Cl)n2)cc1 ZINC000041155041 183178807 /nfs/dbraw/zinc/17/88/07/183178807.db2.gz LOCJSLQTDVEZMF-UHFFFAOYSA-N 0 0 321.767 4.914 50 0 DJAARN Cc1ccc(C(=O)NCC2(c3ccc(C)cc3)CCCCC2)cc1 ZINC000041154861 183178825 /nfs/dbraw/zinc/17/88/25/183178825.db2.gz OUTYVURVEFOOBH-UHFFFAOYSA-N 0 0 321.464 4.935 50 0 DJAARN Cc1cc(C(=O)c2cccc(Br)c2)ccc1Cl ZINC000043210106 183344282 /nfs/dbraw/zinc/34/42/82/183344282.db2.gz RAEYWBZHBSBJRY-UHFFFAOYSA-N 0 0 309.590 4.642 50 0 DJAARN CCOC(=O)CCCC(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000043214437 183344834 /nfs/dbraw/zinc/34/48/34/183344834.db2.gz RGVNYQPPMMIDTK-UHFFFAOYSA-N 0 0 304.430 4.517 50 0 DJAARN C(=C/c1nc2ccccc2o1)\c1csc(-c2ccccn2)n1 ZINC000044024431 183392620 /nfs/dbraw/zinc/39/26/20/183392620.db2.gz KMLNODPXGJGNJY-CMDGGOBGSA-N 0 0 305.362 4.517 50 0 DJAARN Cc1oc(-c2ccccc2)nc1Cc1cc2cc(N)ccc2o1 ZINC000044124341 183395839 /nfs/dbraw/zinc/39/58/39/183395839.db2.gz QGZLBKRIVVOSEJ-UHFFFAOYSA-N 0 0 304.349 4.569 50 0 DJAARN O=C(c1cc(Cl)cc(Cl)c1)c1cncc2ccccc21 ZINC000045028920 183476774 /nfs/dbraw/zinc/47/67/74/183476774.db2.gz BZEDZSDKDLGXAK-UHFFFAOYSA-N 0 0 302.160 4.773 50 0 DJAARN CCCC[C@H](CC)CN1CC(=O)C(c2nc(C)c(C)s2)=C1N ZINC000102733657 193921948 /nfs/dbraw/zinc/92/19/48/193921948.db2.gz GTFKMKFTQDRIBA-ZDUSSCGKSA-N 0 0 321.490 4.538 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000046018340 183543160 /nfs/dbraw/zinc/54/31/60/183543160.db2.gz WAJOPMDPJYSOOE-KRWDZBQOSA-N 0 0 316.351 4.642 50 0 DJAARN O=C(Nc1ccccc1Cl)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018575 183544113 /nfs/dbraw/zinc/54/41/13/183544113.db2.gz DVMUDSQSCRDPMD-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1nc(C)c(C(=O)Nc2ccccc2-c2ccccc2)s1 ZINC000048325459 183643618 /nfs/dbraw/zinc/64/36/18/183643618.db2.gz OHRLZOGNBHUCBO-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN CN(Cc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000048375311 183653882 /nfs/dbraw/zinc/65/38/82/183653882.db2.gz KNJYGJCROBRTET-UHFFFAOYSA-N 0 0 324.424 4.672 50 0 DJAARN Cc1cc(Br)ccc1NC(=O)OCc1ccccc1 ZINC000057353726 184035083 /nfs/dbraw/zinc/03/50/83/184035083.db2.gz RZJDMLNYSWZIGV-UHFFFAOYSA-N 0 0 320.186 4.506 50 0 DJAARN C[C@@H]1CCCN(Cn2c3cc(Cl)ccc3sc2=S)C1 ZINC000057556691 184042175 /nfs/dbraw/zinc/04/21/75/184042175.db2.gz KAEBHKBVJMYRCE-SNVBAGLBSA-N 0 0 312.891 4.775 50 0 DJAARN Cc1ccc2nc(C)c(C(=O)Nc3cccc4[nH]ccc43)cc2c1 ZINC000058175690 184085123 /nfs/dbraw/zinc/08/51/23/184085123.db2.gz CUTAUYVPHNRVRM-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN Cc1csc(N(C(=O)[C@H]2C[C@H]2c2ccco2)c2ccccc2)n1 ZINC000058202868 184087570 /nfs/dbraw/zinc/08/75/70/184087570.db2.gz VZACLCGCPBLUHB-CABCVRRESA-N 0 0 324.405 4.513 50 0 DJAARN Cc1c2ccccc2sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000058217931 184089913 /nfs/dbraw/zinc/08/99/13/184089913.db2.gz OJZCSBIJXKRWDW-OAHLLOKOSA-N 0 0 310.422 4.515 50 0 DJAARN CCc1cccc(NC(=O)c2ccc(-c3nc(C)cs3)cc2)c1 ZINC000058142724 184080475 /nfs/dbraw/zinc/08/04/75/184080475.db2.gz IRQUWVQRBAVKAU-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN O=C(NC1CCCC1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000058367873 184109549 /nfs/dbraw/zinc/10/95/49/184109549.db2.gz MVHAFZHBYQPWSX-UHFFFAOYSA-N 0 0 305.849 4.601 50 0 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/nfs/dbraw/zinc/21/70/14/563217014.db2.gz AUPPJTWFCWGSBG-UHFFFAOYSA-N 0 0 306.793 4.956 50 0 DJAARN CCOc1ccc(NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000000098521 563217028 /nfs/dbraw/zinc/21/70/28/563217028.db2.gz ZZRFQTKVBCTWGZ-UHFFFAOYSA-N 0 0 300.427 4.511 50 0 DJAARN O=C(Cc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000000103540 563217473 /nfs/dbraw/zinc/21/74/73/563217473.db2.gz HTHVHCRUUPPVKH-UHFFFAOYSA-N 0 0 313.706 4.540 50 0 DJAARN Cc1cc(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1 ZINC000000110936 563218494 /nfs/dbraw/zinc/21/84/94/563218494.db2.gz NWVMGWMIQCRKNB-UHFFFAOYSA-N 0 0 309.118 4.815 50 0 DJAARN Nc1ccc(Sc2ccccc2)nc1Sc1ccccc1 ZINC000000112047 563218794 /nfs/dbraw/zinc/21/87/94/563218794.db2.gz LLPRQJHYTJPMPP-UHFFFAOYSA-N 0 0 310.447 4.966 50 0 DJAARN CCN(CC)C(=O)Sc1nc2cc(Cl)ccc2s1 ZINC000000119938 563219987 /nfs/dbraw/zinc/21/99/87/563219987.db2.gz YGLWEVBBAVYBBI-UHFFFAOYSA-N 0 0 300.836 4.504 50 0 DJAARN Clc1ccccc1-c1nnc(SCc2ccccc2)o1 ZINC000000122903 563220566 /nfs/dbraw/zinc/22/05/66/563220566.db2.gz SITUXKTUGUGDRO-UHFFFAOYSA-N 0 0 302.786 4.682 50 0 DJAARN Cc1csc(-c2ccc(Oc3ccc(Cl)cc3)nc2)n1 ZINC000000124576 563221112 /nfs/dbraw/zinc/22/11/12/563221112.db2.gz SKWBAKSNCLXOLO-UHFFFAOYSA-N 0 0 302.786 4.959 50 0 DJAARN CC(C)c1ccccc1NC(=O)c1ccccc1Br ZINC000000128524 563221133 /nfs/dbraw/zinc/22/11/33/563221133.db2.gz YMNQZUUOLYOPIY-UHFFFAOYSA-N 0 0 318.214 4.825 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000000129789 563221720 /nfs/dbraw/zinc/22/17/20/563221720.db2.gz QJSXBXOVINSCBM-AWEZNQCLSA-N 0 0 317.816 4.671 50 0 DJAARN CC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000000153508 563225234 /nfs/dbraw/zinc/22/52/34/563225234.db2.gz KMIJSBTYRYODBD-UHFFFAOYSA-N 0 0 315.678 4.749 50 0 DJAARN Cn1c2ccccc2c(C=O)c1Sc1ccc(Cl)cc1 ZINC000000168704 563226246 /nfs/dbraw/zinc/22/62/46/563226246.db2.gz YWJPKXRAUPCQFC-UHFFFAOYSA-N 0 0 301.798 4.795 50 0 DJAARN Cc1cc(C)c2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1 ZINC000000172960 563227271 /nfs/dbraw/zinc/22/72/71/563227271.db2.gz ZEIYUXLXCYASHH-UHFFFAOYSA-N 0 0 307.393 4.769 50 0 DJAARN CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccccc2)C1(C)C ZINC000000172728 563227454 /nfs/dbraw/zinc/22/74/54/563227454.db2.gz BCSAWRQMUAATCE-MOPGFXCFSA-N 0 0 309.409 4.792 50 0 DJAARN Brc1ccc(-c2nc(C3CCCCC3)no2)cc1 ZINC000000180910 563228457 /nfs/dbraw/zinc/22/84/57/563228457.db2.gz ZNAUEAHSKQLSDT-UHFFFAOYSA-N 0 0 307.191 4.547 50 0 DJAARN COc1ccc(-c2cc(-c3ccccc3)nc(OC(C)C)n2)cc1 ZINC000000183813 563228708 /nfs/dbraw/zinc/22/87/08/563228708.db2.gz UAKLHEKCVXFRCM-UHFFFAOYSA-N 0 0 320.392 4.606 50 0 DJAARN COc1ccc(NC(=O)N2c3ccccc3C(C)=CC2(C)C)cc1 ZINC000000185239 563229103 /nfs/dbraw/zinc/22/91/03/563229103.db2.gz AUIWQWSYXKMFAV-UHFFFAOYSA-N 0 0 322.408 4.929 50 0 DJAARN Cc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1 ZINC000000188883 563229119 /nfs/dbraw/zinc/22/91/19/563229119.db2.gz WFXYXYQZQPSBGL-UHFFFAOYSA-N 0 0 308.381 4.788 50 0 DJAARN CCCc1ccc(Oc2c(C)oc3cc(OC)ccc3c2=O)cc1 ZINC000000189805 563229168 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/nfs/dbraw/zinc/23/29/49/563232949.db2.gz UEVZGRBCYWBEOR-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1 ZINC000000247789 563233514 /nfs/dbraw/zinc/23/35/14/563233514.db2.gz DZXQEPJRMYYIGA-UHFFFAOYSA-N 0 0 311.768 4.754 50 0 DJAARN CC(=O)Nc1ccc(Nc2nc(-c3cccs3)cs2)cc1 ZINC000000246728 563233572 /nfs/dbraw/zinc/23/35/72/563233572.db2.gz XMEZXCGKNXCQED-UHFFFAOYSA-N 0 0 315.423 4.574 50 0 DJAARN O=Cc1ccc2ccccc2c1OC(=O)c1ccc(Cl)cc1 ZINC000000262038 563234464 /nfs/dbraw/zinc/23/44/64/563234464.db2.gz OASBLEXDUYDNHD-UHFFFAOYSA-N 0 0 310.736 4.525 50 0 DJAARN Cc1nnc(Nc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000000274086 563235108 /nfs/dbraw/zinc/23/51/08/563235108.db2.gz ICQSXCGUGDMNAR-UHFFFAOYSA-N 0 0 304.180 4.989 50 0 DJAARN COc1ccc(N(C(=O)c2ccccc2F)c2ccccc2)cc1 ZINC000000274499 563235317 /nfs/dbraw/zinc/23/53/17/563235317.db2.gz KROMVDIRJZHJST-UHFFFAOYSA-N 0 0 321.351 4.813 50 0 DJAARN O=C(Cc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000271418 563235332 /nfs/dbraw/zinc/23/53/32/563235332.db2.gz GEFJOLHDZLTQEP-UHFFFAOYSA-N 0 0 314.599 4.828 50 0 DJAARN Cc1ccc(C(=O)c2coc3c2cc(O)c2ccccc32)cc1 ZINC000000285571 563235880 /nfs/dbraw/zinc/23/58/80/563235880.db2.gz ZIUJYWBTVKNCAJ-UHFFFAOYSA-N 0 0 302.329 4.831 50 0 DJAARN C[C@H](Cc1ccccc1)NC(=O)Nc1ccc2ccccc2c1 ZINC000000284770 563235927 /nfs/dbraw/zinc/23/59/27/563235927.db2.gz JWBBZWXYLRVYNC-OAHLLOKOSA-N 0 0 304.393 4.593 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000000281574 563235959 /nfs/dbraw/zinc/23/59/59/563235959.db2.gz QCEYBBPNGCMTDX-GFCCVEGCSA-N 0 0 305.830 4.768 50 0 DJAARN CC(=O)O[C@H]1c2ccccc2N[C@H](c2ccc(C)cc2)C1(C)C ZINC000000285437 563236020 /nfs/dbraw/zinc/23/60/20/563236020.db2.gz HESDCCCLWZTFDR-MOPGFXCFSA-N 0 0 309.409 4.792 50 0 DJAARN O=C(c1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 ZINC000000293329 563236664 /nfs/dbraw/zinc/23/66/64/563236664.db2.gz FBVXYPJHMXIEIE-UHFFFAOYSA-N 0 0 319.379 4.668 50 0 DJAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2)o1 ZINC000000290197 563236667 /nfs/dbraw/zinc/23/66/67/563236667.db2.gz IYVMBCSBWVXJAI-UHFFFAOYSA-N 0 0 320.776 4.821 50 0 DJAARN Cc1ccc(NC(=O)c2cccc(Cl)c2)c(Br)c1 ZINC000000296143 563237106 /nfs/dbraw/zinc/23/71/06/563237106.db2.gz FJQJMVKGHZFZDR-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN CCOc1ccc2c(c1)occ(Oc1ccc(CC)cc1)c2=O ZINC000000306426 563238577 /nfs/dbraw/zinc/23/85/77/563238577.db2.gz UZKHHKMEEDYZDZ-UHFFFAOYSA-N 0 0 310.349 4.546 50 0 DJAARN CC(C)COc1ccc(C(=S)N2CCCC2)c2ccccc12 ZINC000000306182 563238598 /nfs/dbraw/zinc/23/85/98/563238598.db2.gz MJOZPQCKPAPSBV-UHFFFAOYSA-N 0 0 313.466 4.646 50 0 DJAARN CCOc1ccccc1NC(=O)c1cc(C(C)(C)C)oc1C ZINC000000309842 563238897 /nfs/dbraw/zinc/23/88/97/563238897.db2.gz PWSVNMPPZMFTSU-UHFFFAOYSA-N 0 0 301.386 4.537 50 0 DJAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc(C(C)C)cc2)c1 ZINC000000307153 563239005 /nfs/dbraw/zinc/23/90/05/563239005.db2.gz ATVNBOMKHSAURJ-FMIVXFBMSA-N 0 0 307.393 4.665 50 0 DJAARN Cc1cccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)c1 ZINC000000308359 563239152 /nfs/dbraw/zinc/23/91/52/563239152.db2.gz RRIZQAXOIPDDNW-UHFFFAOYSA-N 0 0 308.381 4.788 50 0 DJAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC)cc21 ZINC000000313946 563240206 /nfs/dbraw/zinc/24/02/06/563240206.db2.gz OEYVUCFFGFXEQN-UHFFFAOYSA-N 0 0 323.392 4.514 50 0 DJAARN CC[C@@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000000318366 563240733 /nfs/dbraw/zinc/24/07/33/563240733.db2.gz RAKXDZUSELAGSK-INQVIGDZSA-N 0 0 313.828 4.795 50 0 DJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2Cl)c1 ZINC000000317531 563240760 /nfs/dbraw/zinc/24/07/60/563240760.db2.gz NVTXMHQIDSBADM-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN Cn1cccc1-c1cc(-c2cccn2C)cc(-c2cccn2C)c1 ZINC000000330724 563241565 /nfs/dbraw/zinc/24/15/65/563241565.db2.gz VJTCSBCJHVQBGW-UHFFFAOYSA-N 0 0 315.420 4.703 50 0 DJAARN Cc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000000337364 563242140 /nfs/dbraw/zinc/24/21/40/563242140.db2.gz WZEFRXVEFAOGIN-UHFFFAOYSA-N 0 0 315.166 4.735 50 0 DJAARN O=C(COc1ccc2ccccc2c1)Nc1ccccc1Cl ZINC000000341753 563242144 /nfs/dbraw/zinc/24/21/44/563242144.db2.gz HFQIHSHORYHGDS-UHFFFAOYSA-N 0 0 311.768 4.511 50 0 DJAARN Cc1cccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000000351366 563243412 /nfs/dbraw/zinc/24/34/12/563243412.db2.gz OIJTWTNZYDCHRH-UHFFFAOYSA-N 0 0 311.388 4.910 50 0 DJAARN Cc1ccccc1-c1nc2scc(-c3ccccc3)c2c(=O)o1 ZINC000000348576 563243429 /nfs/dbraw/zinc/24/34/29/563243429.db2.gz ZIPVSVJOZBVKHF-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN Cc1ccc(Nc2ncnc3sc4c(c32)CCCC4)c(C)c1 ZINC000000354847 563243884 /nfs/dbraw/zinc/24/38/84/563243884.db2.gz OHWVGAGUUPIAOX-UHFFFAOYSA-N 0 0 309.438 4.931 50 0 DJAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000000359075 563244246 /nfs/dbraw/zinc/24/42/46/563244246.db2.gz MMORVFNDNHOSQK-ZDUSSCGKSA-N 0 0 317.816 4.871 50 0 DJAARN Cc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1O ZINC000000364377 563245209 /nfs/dbraw/zinc/24/52/09/563245209.db2.gz QOHHXQBRVNHFKH-OAHLLOKOSA-N 0 0 311.425 4.641 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1O ZINC000000364376 563245469 /nfs/dbraw/zinc/24/54/69/563245469.db2.gz QOHHXQBRVNHFKH-HNNXBMFYSA-N 0 0 311.425 4.641 50 0 DJAARN CCOc1ccc2nc(NC(=O)CCC3CCCC3)sc2c1 ZINC000000364473 563245502 /nfs/dbraw/zinc/24/55/02/563245502.db2.gz NFAYKADVKDUGBW-UHFFFAOYSA-N 0 0 318.442 4.604 50 0 DJAARN CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000000372227 563246393 /nfs/dbraw/zinc/24/63/93/563246393.db2.gz FKBYZUDELOWDJW-MRXNPFEDSA-N 0 0 302.805 4.921 50 0 DJAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000000370722 563246427 /nfs/dbraw/zinc/24/64/27/563246427.db2.gz BOLUYANXLKXRGD-OAHLLOKOSA-N 0 0 311.425 4.699 50 0 DJAARN Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000000370723 563246465 /nfs/dbraw/zinc/24/64/65/563246465.db2.gz BOLUYANXLKXRGD-HNNXBMFYSA-N 0 0 311.425 4.699 50 0 DJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000000375379 563247099 /nfs/dbraw/zinc/24/70/99/563247099.db2.gz AAUMTCLLNCVODR-AWEZNQCLSA-N 0 0 324.207 4.790 50 0 DJAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000000379327 563247657 /nfs/dbraw/zinc/24/76/57/563247657.db2.gz FKGQUEICOPFAGM-GFCCVEGCSA-N 0 0 305.830 4.600 50 0 DJAARN Cc1cc2n(n1)[C@H](c1ccc(Cl)cc1)Nc1c(C)cccc1-2 ZINC000000382407 563247724 /nfs/dbraw/zinc/24/77/24/563247724.db2.gz LENDAUWJECWOBW-GOSISDBHSA-N 0 0 309.800 4.793 50 0 DJAARN Cc1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000000379843 563247754 /nfs/dbraw/zinc/24/77/54/563247754.db2.gz BNJLYHQAHMIJGE-UHFFFAOYSA-N 0 0 305.830 4.688 50 0 DJAARN Fc1c(F)c(F)c2nc3onc(-c4ccccc4)c3cc2c1F ZINC000000383911 563248086 /nfs/dbraw/zinc/24/80/86/563248086.db2.gz LDKUBJYSUWTHCJ-UHFFFAOYSA-N 0 0 318.229 4.599 50 0 DJAARN Cc1nc(Cl)sc1C(=O)Nc1ccc2ccccc2c1 ZINC000000385250 563248862 /nfs/dbraw/zinc/24/88/62/563248862.db2.gz JUNYYPFCTFDDHR-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 in-vitro DJAARN CSc1nc2cc(NCc3ccc(Cl)cc3)ccc2[nH]1 ZINC000000393082 563250048 /nfs/dbraw/zinc/25/00/48/563250048.db2.gz BFBMKQMBYHNPKB-UHFFFAOYSA-N 0 0 303.818 4.550 50 0 DJAARN CCc1ccccc1NC(=O)Oc1ccc(OC)cc1Cl ZINC000000397765 563250637 /nfs/dbraw/zinc/25/06/37/563250637.db2.gz SOAOCEHQYYSORA-UHFFFAOYSA-N 0 0 305.761 4.522 50 0 DJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(F)c1 ZINC000000399816 563251058 /nfs/dbraw/zinc/25/10/58/563251058.db2.gz WGHMCHXTLFKAGS-UHFFFAOYSA-N 0 0 306.340 4.822 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)Oc1c(C)cccc1C ZINC000000399644 563251079 /nfs/dbraw/zinc/25/10/79/563251079.db2.gz PQYCUZVJPXKJIC-UHFFFAOYSA-N 0 0 305.761 4.576 50 0 DJAARN COc1cc(Cl)ccc1NC(=O)SCc1ccccc1 ZINC000000400423 563251166 /nfs/dbraw/zinc/25/11/66/563251166.db2.gz AMUKZMIXQCTPGZ-UHFFFAOYSA-N 0 0 307.802 4.814 50 0 DJAARN Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1C ZINC000000402136 563251665 /nfs/dbraw/zinc/25/16/65/563251665.db2.gz XTOXHDJKRHPNEQ-UHFFFAOYSA-N 0 0 305.830 4.688 50 0 DJAARN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000408596 563252253 /nfs/dbraw/zinc/25/22/53/563252253.db2.gz PZLBAZHGNVUHBJ-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CC1 ZINC000000433845 563253501 /nfs/dbraw/zinc/25/35/01/563253501.db2.gz VWFVNWPQQLFHPN-UHFFFAOYSA-N 0 0 320.417 4.826 50 0 DJAARN Cc1cc2ncn(C(=O)c3ccc(Cl)c(Cl)c3)c2cc1C ZINC000000441469 563254502 /nfs/dbraw/zinc/25/45/02/563254502.db2.gz IWAXOAFEQDGVDM-UHFFFAOYSA-N 0 0 319.191 4.648 50 0 DJAARN Fc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000000443263 563254653 /nfs/dbraw/zinc/25/46/53/563254653.db2.gz SEJUDZQGDRPEJF-UHFFFAOYSA-N 0 0 308.234 4.562 50 0 DJAARN Cc1cccc(C)c1NC(=O)CSCc1ccccc1Cl ZINC000000443893 563254932 /nfs/dbraw/zinc/25/49/32/563254932.db2.gz IYEGNYSVDQQBOW-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN Cc1ccc(SCC(=O)Nc2cccc3ccccc32)cc1 ZINC000000443564 563254970 /nfs/dbraw/zinc/25/49/70/563254970.db2.gz UTDQXCOENNDUBC-UHFFFAOYSA-N 0 0 307.418 4.879 50 0 DJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1F ZINC000000446445 563255601 /nfs/dbraw/zinc/25/56/01/563255601.db2.gz JUSJIPDNBLLRIU-UHFFFAOYSA-N 0 0 306.340 4.822 50 0 DJAARN Cc1ccc(SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000000452608 563256639 /nfs/dbraw/zinc/25/66/39/563256639.db2.gz STUOSXOCPYOPCX-UHFFFAOYSA-N 0 0 305.830 4.688 50 0 DJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000000452403 563256844 /nfs/dbraw/zinc/25/68/44/563256844.db2.gz YNDYARGPZGMYQO-JTQLQIEISA-N 0 0 309.793 4.598 50 0 DJAARN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000000458152 563257821 /nfs/dbraw/zinc/25/78/21/563257821.db2.gz AWNDFBHDKNAHGK-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000000460837 563258356 /nfs/dbraw/zinc/25/83/56/563258356.db2.gz GULUYDGUGYJNOH-IUODEOHRSA-N 0 0 324.251 4.557 50 0 DJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl ZINC000000460659 563258379 /nfs/dbraw/zinc/25/83/79/563258379.db2.gz ZCWYEWMNJKJRGQ-UHFFFAOYSA-N 0 0 324.207 4.790 50 0 DJAARN Cc1cccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 ZINC000000459829 563258516 /nfs/dbraw/zinc/25/85/16/563258516.db2.gz ORESVPCLUGKVIV-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000000463381 563259155 /nfs/dbraw/zinc/25/91/55/563259155.db2.gz PJZPPBXHSPZHGF-UHFFFAOYSA-N 0 0 324.424 4.657 50 0 DJAARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(C)=O)c3)nc2c1 ZINC000000467486 563259601 /nfs/dbraw/zinc/25/96/01/563259601.db2.gz ZWYRHKHIUGMPHQ-GFCCVEGCSA-N 0 0 308.381 4.967 50 0 DJAARN CCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000000467819 563260112 /nfs/dbraw/zinc/26/01/12/563260112.db2.gz CHFLBBBHULXWGZ-UHFFFAOYSA-N 0 0 308.425 4.933 50 0 DJAARN COc1ccc2nc(SCc3ccccc3C)nc(C)c2c1 ZINC000000470142 563260165 /nfs/dbraw/zinc/26/01/65/563260165.db2.gz SAHKCOGMTLERGJ-UHFFFAOYSA-N 0 0 310.422 4.548 50 0 DJAARN Cc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000474603 563261660 /nfs/dbraw/zinc/26/16/60/563261660.db2.gz CTUFNPXJIYCWLE-UHFFFAOYSA-N 0 0 309.196 4.624 50 0 DJAARN CCOc1cc(CNc2ccccc2C)cc(Cl)c1OC ZINC000000479282 563262168 /nfs/dbraw/zinc/26/21/68/563262168.db2.gz PSGPIXAKLRIXNQ-UHFFFAOYSA-N 0 0 305.805 4.668 50 0 DJAARN CC[C@@H](C)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 ZINC000000476652 563262319 /nfs/dbraw/zinc/26/23/19/563262319.db2.gz GXQQGDYVVCJRGR-DNVCBOLYSA-N 0 0 311.425 4.996 50 0 DJAARN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCC ZINC000000479289 563262402 /nfs/dbraw/zinc/26/24/02/563262402.db2.gz KZZCSFLYDLPASN-UHFFFAOYSA-N 0 0 305.805 4.750 50 0 DJAARN Brc1ccc(COc2cccc3cccnc32)cc1 ZINC000000482485 563263037 /nfs/dbraw/zinc/26/30/37/563263037.db2.gz XOSAUUYDBIHWTF-UHFFFAOYSA-N 0 0 314.182 4.576 50 0 DJAARN Clc1ccccc1-c1nc2ccccc2c(N2CCCC2)n1 ZINC000000499629 563263681 /nfs/dbraw/zinc/26/36/81/563263681.db2.gz NGHYEEKKFIJXDP-UHFFFAOYSA-N 0 0 309.800 4.550 50 0 DJAARN O=C(Nc1ccccc1N1CCCC1)c1cccc2ccccc21 ZINC000000520460 563264073 /nfs/dbraw/zinc/26/40/73/563264073.db2.gz YPYPNGYQUJYHFU-UHFFFAOYSA-N 0 0 316.404 4.692 50 0 DJAARN CC(C)c1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000000557756 563266249 /nfs/dbraw/zinc/26/62/49/563266249.db2.gz ILDHDTWEEIKLCK-UHFFFAOYSA-N 0 0 305.324 4.664 50 0 DJAARN Cc1cc(C)cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000000558413 563266633 /nfs/dbraw/zinc/26/66/33/563266633.db2.gz DFMDVUBMCHKORX-UHFFFAOYSA-N 0 0 316.404 4.542 50 0 DJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000000570495 563267301 /nfs/dbraw/zinc/26/73/01/563267301.db2.gz CXXFTQQOYLDUKP-UHFFFAOYSA-N 0 0 314.816 4.501 50 0 DJAARN Clc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 ZINC000000581146 563268452 /nfs/dbraw/zinc/26/84/52/563268452.db2.gz WOYOJHRPMFYIIR-UHFFFAOYSA-N 0 0 302.786 4.682 50 0 DJAARN CCOc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000611886 563268700 /nfs/dbraw/zinc/26/87/00/563268700.db2.gz RAWOJVAABWLUMM-UHFFFAOYSA-N 0 0 306.365 4.883 50 0 DJAARN CCOc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000611822 563268771 /nfs/dbraw/zinc/26/87/71/563268771.db2.gz MLZQQTXWVFOYJJ-UHFFFAOYSA-N 0 0 324.808 4.687 50 0 DJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1nc(-c2ccncc2)no1 ZINC000000613759 563269432 /nfs/dbraw/zinc/26/94/32/563269432.db2.gz APSNOEWFXGCRGK-CYBMUJFWSA-N 0 0 323.396 4.569 50 0 DJAARN CCOc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000614131 563269466 /nfs/dbraw/zinc/26/94/66/563269466.db2.gz NVPZSTCACIBWHG-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN O=C(Oc1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000000615880 563270142 /nfs/dbraw/zinc/27/01/42/563270142.db2.gz KLZLYPSXWMVFRM-UHFFFAOYSA-N 0 0 303.361 4.892 50 0 DJAARN Cc1cccc2c(C)cc(SCC(=O)Nc3ccccc3)nc12 ZINC000000615675 563270180 /nfs/dbraw/zinc/27/01/80/563270180.db2.gz BGEBRGVHCLDWLS-UHFFFAOYSA-N 0 0 322.433 4.582 50 0 DJAARN COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000000620496 563271206 /nfs/dbraw/zinc/27/12/06/563271206.db2.gz LFYJEPDDNSCWQO-UHFFFAOYSA-N 0 0 303.361 4.615 50 0 DJAARN Oc1ccc(CNc2cccc(C(F)(F)F)c2)c2cccnc12 ZINC000000809938 563271957 /nfs/dbraw/zinc/27/19/57/563271957.db2.gz HWNPIGIJVNLLIF-UHFFFAOYSA-N 0 0 318.298 4.571 50 0 DJAARN O=C(Cc1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000000858829 563272316 /nfs/dbraw/zinc/27/23/16/563272316.db2.gz ZQZLKNYKAMXNAL-UHFFFAOYSA-N 0 0 303.361 4.660 50 0 DJAARN O=C(Cc1cccc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000001000815 563274035 /nfs/dbraw/zinc/27/40/35/563274035.db2.gz VWNWJDZNKXIRBM-UHFFFAOYSA-N 0 0 313.759 4.814 50 0 DJAARN OC(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 ZINC000001081149 563277047 /nfs/dbraw/zinc/27/70/47/563277047.db2.gz GKNSRWXOHBCRTI-UHFFFAOYSA-N 0 0 308.808 4.819 50 0 DJAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001117097 563277707 /nfs/dbraw/zinc/27/77/07/563277707.db2.gz APCDYFKOPDZAGH-QGZVFWFLSA-N 0 0 315.416 4.696 50 0 DJAARN C[C@@H](NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 ZINC000001119648 563277713 /nfs/dbraw/zinc/27/77/13/563277713.db2.gz FQWBNIHJIAGAOG-MRXNPFEDSA-N 0 0 303.405 4.650 50 0 DJAARN Cc1cccc(Cn2c3ccccc3nc2Cc2ccccc2)c1 ZINC000001149587 563277877 /nfs/dbraw/zinc/27/78/77/563277877.db2.gz LCBIYFPIXJGTTE-UHFFFAOYSA-N 0 0 312.416 4.984 50 0 DJAARN Fc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1 ZINC000001123268 563277994 /nfs/dbraw/zinc/27/79/94/563277994.db2.gz BZDTXFZRWBSUDP-UHFFFAOYSA-N 0 0 305.765 4.741 50 0 DJAARN CCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3ccccc3)c12 ZINC000001164314 563278423 /nfs/dbraw/zinc/27/84/23/563278423.db2.gz LUQMQMNGVQNWJO-CQSZACIVSA-N 0 0 308.377 4.804 50 0 DJAARN CCc1ccccc1NC(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000001163360 563278556 /nfs/dbraw/zinc/27/85/56/563278556.db2.gz NAGTUWSTPNZKMT-UHFFFAOYSA-N 0 0 322.433 4.933 50 0 DJAARN CCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000001216624 563279106 /nfs/dbraw/zinc/27/91/06/563279106.db2.gz VCABYPLIOSARAX-UHFFFAOYSA-N 0 0 316.813 4.965 50 0 DJAARN CCc1ccccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000001198108 563279508 /nfs/dbraw/zinc/27/95/08/563279508.db2.gz JCIYKOUUHLGRAD-UHFFFAOYSA-N 0 0 319.857 4.774 50 0 DJAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000001465723 563284029 /nfs/dbraw/zinc/28/40/29/563284029.db2.gz BZFNSWHSNLFHOW-UHFFFAOYSA-N 0 0 323.436 4.586 50 0 DJAARN CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001577716 563285777 /nfs/dbraw/zinc/28/57/77/563285777.db2.gz RRYATXLRCBOQTJ-UHFFFAOYSA-N 0 0 308.375 4.879 50 0 DJAARN C[C@](O)(c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000001668779 563289912 /nfs/dbraw/zinc/28/99/12/563289912.db2.gz IOJUSEUQECGGDK-UXHICEINSA-N 0 0 323.823 4.775 50 0 DJAARN Cc1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000001752707 563295084 /nfs/dbraw/zinc/29/50/84/563295084.db2.gz FNETVIMFURIAQH-UHFFFAOYSA-N 0 0 322.330 4.644 50 0 DJAARN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000001775879 563295808 /nfs/dbraw/zinc/29/58/08/563295808.db2.gz AGDWGUWDOPEJKG-UHFFFAOYSA-N 0 0 324.207 4.791 50 0 DJAARN CCCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1 ZINC000001777899 563295903 /nfs/dbraw/zinc/29/59/03/563295903.db2.gz NOXRYXAMLRVNKW-FMIVXFBMSA-N 0 0 309.409 4.744 50 0 DJAARN CCCCCCNC(=O)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000001886864 563297217 /nfs/dbraw/zinc/29/72/17/563297217.db2.gz DOUBVYFVNUHHIT-UHFFFAOYSA-N 0 0 321.424 4.540 50 0 DJAARN c1ccc2[nH]c(CCn3c4ccccc4c4ccccc43)nc2c1 ZINC000001909581 563297252 /nfs/dbraw/zinc/29/72/52/563297252.db2.gz JOYQBQFJPLXICC-UHFFFAOYSA-N 0 0 311.388 4.914 50 0 DJAARN CC(C)(C)N1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1 ZINC000002027617 563298044 /nfs/dbraw/zinc/29/80/44/563298044.db2.gz SHTYVXCWVYUPRM-KRWDZBQOSA-N 0 0 314.816 4.831 50 0 DJAARN CCCOc1cccc(C(=O)Oc2ccc3ccccc3c2)c1 ZINC000002050782 563299194 /nfs/dbraw/zinc/29/91/94/563299194.db2.gz GOUPJCGPVNZKKU-UHFFFAOYSA-N 0 0 306.361 4.848 50 0 DJAARN Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 ZINC000002080172 563299534 /nfs/dbraw/zinc/29/95/34/563299534.db2.gz VKQBCHJGEJDSAC-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN CCCOc1ccc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc1 ZINC000002072958 563299572 /nfs/dbraw/zinc/29/95/72/563299572.db2.gz CPHCHEOAJOTABW-QGZVFWFLSA-N 0 0 309.409 4.566 50 0 DJAARN O=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000002149644 563300953 /nfs/dbraw/zinc/30/09/53/563300953.db2.gz CHUAMRVJSRBRHT-UHFFFAOYSA-N 0 0 318.372 4.657 50 0 DJAARN Cc1cc(Cl)ccc1OCCSc1nc2ccccc2[nH]1 ZINC000002180068 563301468 /nfs/dbraw/zinc/30/14/68/563301468.db2.gz FTVJDJIKDOAYGU-UHFFFAOYSA-N 0 0 318.829 4.696 50 0 DJAARN O=C(CCc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000002516710 563306810 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/nfs/dbraw/zinc/31/48/46/563314846.db2.gz SYLVVJCKSMUEEI-UHFFFAOYSA-N 0 0 313.466 4.615 50 0 DJAARN COc1cc2c(cc1NC(=O)c1ccc(C)o1)oc1ccccc12 ZINC000002872599 563316392 /nfs/dbraw/zinc/31/63/92/563316392.db2.gz VUBMTFQIUQYECW-UHFFFAOYSA-N 0 0 321.332 4.748 50 0 DJAARN Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccccc1OC(C)C ZINC000002883768 563316813 /nfs/dbraw/zinc/31/68/13/563316813.db2.gz DJYFAHGDZCLYOF-KRWDZBQOSA-N 0 0 309.409 4.565 50 0 DJAARN COc1cccc(OCCCOc2ccc3ccccc3c2)c1 ZINC000002904377 563317669 /nfs/dbraw/zinc/31/76/69/563317669.db2.gz AOXWOTPCCJUQCH-UHFFFAOYSA-N 0 0 308.377 4.696 50 0 DJAARN Fc1ccccc1OCCSc1nc2ccccc2s1 ZINC000002938447 563318024 /nfs/dbraw/zinc/31/80/24/563318024.db2.gz SUGVAAHYSKJZOJ-UHFFFAOYSA-N 0 0 305.399 4.607 50 0 DJAARN CCCCC(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000002973002 563318611 /nfs/dbraw/zinc/31/86/11/563318611.db2.gz ACZNGDWGMLDTLF-UHFFFAOYSA-N 0 0 308.381 4.932 50 0 DJAARN CCOc1ccccc1OCCCOc1cc(C)cc(C)c1C ZINC000002984095 563318923 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563343118 /nfs/dbraw/zinc/34/31/18/563343118.db2.gz BUDHFUSUYOOXTN-AWEZNQCLSA-N 0 0 305.377 4.591 50 0 DJAARN CCc1ccc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000008106344 563344800 /nfs/dbraw/zinc/34/48/00/563344800.db2.gz FYAXAIGSXDBLGS-MRXNPFEDSA-N 0 0 311.425 4.580 50 0 DJAARN CC(C)(C)c1ccc(S(=O)(=O)/C=C\Cc2ccccc2)cc1 ZINC000097475177 563350561 /nfs/dbraw/zinc/35/05/61/563350561.db2.gz NCJGWTCCKBPKSM-CHHVJCJISA-N 0 0 314.450 4.514 50 0 DJAARN Cc1c(-c2ccccc2)sc2[nH]c(C3CCCC3)nc(=O)c12 ZINC000097512884 563351234 /nfs/dbraw/zinc/35/12/34/563351234.db2.gz ZYSGLCFRZHQWHL-UHFFFAOYSA-N 0 0 310.422 4.618 50 0 DJAARN Cc1cc(Nc2nc3ccccc3s2)n(-c2ccccc2)n1 ZINC000009111432 563352165 /nfs/dbraw/zinc/35/21/65/563352165.db2.gz MNGHVJVVPAUOSO-UHFFFAOYSA-N 0 0 306.394 4.534 50 0 DJAARN Nc1nsc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000011757526 563359368 /nfs/dbraw/zinc/35/93/68/563359368.db2.gz KRIMKPMXIANFST-UHFFFAOYSA-N 0 0 303.390 4.608 50 0 DJAARN COc1ccc(C)cc1Nc1cc(-c2ccccc2)nc(C)n1 ZINC000011907774 563360272 /nfs/dbraw/zinc/36/02/72/563360272.db2.gz IRTUEWZTTNXNAB-UHFFFAOYSA-N 0 0 305.381 4.513 50 0 DJAARN CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccco1 ZINC000011933124 563360742 /nfs/dbraw/zinc/36/07/42/563360742.db2.gz KKDAGOYAZDMFRI-QGZVFWFLSA-N 0 0 322.408 4.547 50 0 DJAARN Cc1c(Cl)cc2nc(SCc3ccon3)oc2c1Cl ZINC000012372432 563367078 /nfs/dbraw/zinc/36/70/78/563367078.db2.gz UHDDYZXNXIULPS-UHFFFAOYSA-N 0 0 315.181 4.723 50 0 DJAARN CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccnc1 ZINC000012435550 563369805 /nfs/dbraw/zinc/36/98/05/563369805.db2.gz SLWNOMGIVYZTCV-HXUWFJFHSA-N 0 0 319.452 4.708 50 0 DJAARN c1coc(CN2C[C@@H](c3ccccc3)O[C@@H]2c2ccccc2)c1 ZINC000012436546 563369850 /nfs/dbraw/zinc/36/98/50/563369850.db2.gz RXRPCXBRWGXORZ-VQTJNVASSA-N 0 0 305.377 4.552 50 0 DJAARN CC(=O)c1ccc(Nc2c3ccoc3nc3ccccc32)cc1 ZINC000012948054 563375026 /nfs/dbraw/zinc/37/50/26/563375026.db2.gz VJDPGTFIMDGXDQ-UHFFFAOYSA-N 0 0 302.333 4.927 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)CCC2 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C[C@@H]1C[C@H](C)CN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000013320346 563380344 /nfs/dbraw/zinc/38/03/44/563380344.db2.gz IECDZZWVVNENIC-AOOOYVTPSA-N 0 0 301.217 4.503 50 0 DJAARN Cc1ccc(O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013483826 563382887 /nfs/dbraw/zinc/38/28/87/563382887.db2.gz QZBOWZWSUSJXHM-GFCCVEGCSA-N 0 0 314.772 4.838 50 0 DJAARN CCCCn1c2ccccc2nc1NCc1c[nH]c2ccccc12 ZINC000013712221 563386798 /nfs/dbraw/zinc/38/67/98/563386798.db2.gz BLWOYTBXVJUZAD-UHFFFAOYSA-N 0 0 318.424 4.930 50 0 DJAARN CC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013811086 563389635 /nfs/dbraw/zinc/38/96/35/563389635.db2.gz RZDFPYZZSZSFRV-AEFFLSMTSA-N 0 0 312.800 4.620 50 0 DJAARN CC(C)Sc1ccccc1C(=O)NCCC1=CCCCC1 ZINC000013847313 563390723 /nfs/dbraw/zinc/39/07/23/563390723.db2.gz GGHMDBOALKAIAQ-UHFFFAOYSA-N 0 0 303.471 4.807 50 0 DJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2ccccc2[nH]1 ZINC000032753910 563390791 /nfs/dbraw/zinc/39/07/91/563390791.db2.gz HFXJOTZEVSKQAY-ZDUSSCGKSA-N 0 0 318.376 4.747 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Cc1cccc(C)c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000014118396 563396056 /nfs/dbraw/zinc/39/60/56/563396056.db2.gz KEOLZDIIBMDRQG-UHFFFAOYSA-N 0 0 322.433 4.608 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000014123441 563396253 /nfs/dbraw/zinc/39/62/53/563396253.db2.gz AFAXDUPOSKDVNM-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN FC(F)Oc1ccc(-c2csc(NCc3ccco3)n2)cc1 ZINC000014236829 563398947 /nfs/dbraw/zinc/39/89/47/563398947.db2.gz IGFAXMVCBUVNEV-UHFFFAOYSA-N 0 0 322.336 4.617 50 0 DJAARN CC(C)c1nc2cc(NC(=O)CCc3ccsc3)ccc2o1 ZINC000032818781 563399001 /nfs/dbraw/zinc/39/90/01/563399001.db2.gz SFZLMMYYNNHPJZ-UHFFFAOYSA-N 0 0 314.410 4.584 50 0 DJAARN C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(Cl)cc1 ZINC000014244301 563399157 /nfs/dbraw/zinc/39/91/57/563399157.db2.gz ATHNNFCQUFCGMW-VIFPVBQESA-N 0 0 312.171 4.624 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000014396964 563400403 /nfs/dbraw/zinc/40/04/03/563400403.db2.gz XUILRAIHLSVNLK-UHFFFAOYSA-N 0 0 308.425 4.546 50 0 DJAARN CCCCCCOc1ccccc1C[C@@H]1c2ccccc2NC1=O ZINC000015017352 563405573 /nfs/dbraw/zinc/40/55/73/563405573.db2.gz PCHAQBUCCIMRMV-GOSISDBHSA-N 0 0 323.436 4.924 50 0 DJAARN Cc1ccc2c(c1)[C@@H](Cc1ccc(OC3CCCC3)cc1)C(=O)N2 ZINC000015017673 563406250 /nfs/dbraw/zinc/40/62/50/563406250.db2.gz QVUIBVTXVXYODF-LJQANCHMSA-N 0 0 321.420 4.595 50 0 DJAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000015617770 563410365 /nfs/dbraw/zinc/41/03/65/563410365.db2.gz AQNJQLPQXPQSHC-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN CS/C(=C/C(=O)c1ccc(C)cc1)C(=O)c1ccc(C)cc1 ZINC000000383291 563414007 /nfs/dbraw/zinc/41/40/07/563414007.db2.gz QUYAJSWRTMGJIQ-LDADJPATSA-N 0 0 310.418 4.616 50 0 DJAARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccco1 ZINC000000366841 563414337 /nfs/dbraw/zinc/41/43/37/563414337.db2.gz XTMGRNIXXUJHEV-NXNYUAIASA-N 0 0 302.329 4.680 50 0 DJAARN C[C@H](Nc1nc2ccccc2o1)c1ccccc1OC(F)F ZINC000026718764 563426493 /nfs/dbraw/zinc/42/64/93/563426493.db2.gz XQEACNGSBQDTIQ-JTQLQIEISA-N 0 0 304.296 4.602 50 0 DJAARN 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C[C@@H](NC(=S)N1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000084656604 563829105 /nfs/dbraw/zinc/82/91/05/563829105.db2.gz YYDWGKLABCWICM-UKRRQHHQSA-N 0 0 316.495 4.521 50 0 DJAARN O=C(C[C@@H]1C=CCC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000012783809 563831510 /nfs/dbraw/zinc/83/15/10/563831510.db2.gz MKIWZDMIWUZJTJ-CQSZACIVSA-N 0 0 317.392 4.525 50 0 DJAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccsc3)n2)c1 ZINC000012807860 563835308 /nfs/dbraw/zinc/83/53/08/563835308.db2.gz WKKMJZISJHPZMO-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1cc2occ(CC(=O)N[C@H](C)c3cccs3)c2cc1C ZINC000012811009 563835778 /nfs/dbraw/zinc/83/57/78/563835778.db2.gz NXUWPEYBZKEFAZ-CYBMUJFWSA-N 0 0 313.422 4.531 50 0 DJAARN CSc1ccc(Cl)c(C(=O)N[C@@H](C)c2cccs2)c1 ZINC000012817773 563837584 /nfs/dbraw/zinc/83/75/84/563837584.db2.gz IMFJBNAQAIBVDT-VIFPVBQESA-N 0 0 311.859 4.614 50 0 DJAARN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c2ccccc21)c1cnccn1 ZINC000185332252 563838160 /nfs/dbraw/zinc/83/81/60/563838160.db2.gz MXZHZRDYGWIBHV-QWHCGFSZSA-N 0 0 311.816 4.695 50 0 DJAARN CC[C@H](C)[C@@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000012820937 563839948 /nfs/dbraw/zinc/83/99/48/563839948.db2.gz QAFHJDDQIBEPEL-XHDPSFHLSA-N 0 0 321.342 4.872 50 0 DJAARN CC[C@@H](C)[C@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000012820943 563840045 /nfs/dbraw/zinc/84/00/45/563840045.db2.gz QAFHJDDQIBEPEL-ABAIWWIYSA-N 0 0 321.342 4.872 50 0 DJAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000012820932 563840105 /nfs/dbraw/zinc/84/01/05/563840105.db2.gz QAFHJDDQIBEPEL-IAQYHMDHSA-N 0 0 321.342 4.872 50 0 DJAARN Cc1ccccc1[C@@H](C)NC(=O)Cc1ccc2ccccc2c1 ZINC000012865149 563845511 /nfs/dbraw/zinc/84/55/11/563845511.db2.gz XKVVCTVVEOLXOX-MRXNPFEDSA-N 0 0 303.405 4.568 50 0 DJAARN Cc1cc(C)cc(NC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000012863785 563845529 /nfs/dbraw/zinc/84/55/29/563845529.db2.gz UVHFSACYOLCQMI-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1cccc(Cl)c1NC(=O)c1ccccc1Br ZINC000000397966 563846084 /nfs/dbraw/zinc/84/60/84/563846084.db2.gz FEYNVGYGVTUGGP-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Clc1ccc2c(c1)N=C(c1ccc(Br)cc1)CO2 ZINC000012957122 563847324 /nfs/dbraw/zinc/84/73/24/563847324.db2.gz PMTXFVMYQVXLTH-UHFFFAOYSA-N 0 0 322.589 4.616 50 0 DJAARN CC1=CC[C@@H]2C3(CC[C@]2(C)C(=O)[C@@H]2C=CC[C@H]12)SCCS3 ZINC000071786158 563848729 /nfs/dbraw/zinc/84/87/29/563848729.db2.gz HJIHCWKXHQNRHF-AIANPOQGSA-N 0 0 320.523 4.690 50 0 DJAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1Cl ZINC000012900957 563853223 /nfs/dbraw/zinc/85/32/23/563853223.db2.gz AUNCXZWBRWLUAY-AWEZNQCLSA-N 0 0 323.823 4.913 50 0 DJAARN CC(=O)Nc1cccc(NCc2ccc(-c3ccccc3)o2)c1C ZINC000121330235 563853631 /nfs/dbraw/zinc/85/36/31/563853631.db2.gz PUYUTBSDYKYRGS-UHFFFAOYSA-N 0 0 320.392 4.826 50 0 DJAARN O=C(Nc1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000012917473 563854022 /nfs/dbraw/zinc/85/40/22/563854022.db2.gz RTDZPNBYRXIXFX-QGZVFWFLSA-N 0 0 308.406 4.659 50 0 DJAARN O=C(NCCc1ccc(-c2ccsc2)s1)c1cccs1 ZINC000575414077 563856019 /nfs/dbraw/zinc/85/60/19/563856019.db2.gz PBLFTYWXABHUKK-UHFFFAOYSA-N 0 0 319.476 4.511 50 0 DJAARN O=C(NCCc1ccc(-c2ccsc2)s1)c1ccsc1 ZINC000575413998 563856067 /nfs/dbraw/zinc/85/60/67/563856067.db2.gz GNTZGUAHNXOUKT-UHFFFAOYSA-N 0 0 319.476 4.511 50 0 DJAARN CC(C)(C)c1ncsc1NC(=O)Cc1ccc2ccccc2c1 ZINC000075094344 563859162 /nfs/dbraw/zinc/85/91/62/563859162.db2.gz HJGBKAJXCXHKES-UHFFFAOYSA-N 0 0 324.449 4.775 50 0 DJAARN O=C(Cc1ccc2ccccc2c1)Nc1cccc2[nH]ccc21 ZINC000075126527 563860226 /nfs/dbraw/zinc/86/02/26/563860226.db2.gz WAXUWLHUDNTDMU-UHFFFAOYSA-N 0 0 300.361 4.502 50 0 DJAARN CCCc1ccc(-c2ccc(NC(=O)C3CCOCC3)cc2)cc1 ZINC000075140529 563860685 /nfs/dbraw/zinc/86/06/85/563860685.db2.gz BUWNMRXEVHITEG-UHFFFAOYSA-N 0 0 323.436 4.671 50 0 DJAARN CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(Cl)s2)cc1 ZINC000075279444 563862905 /nfs/dbraw/zinc/86/29/05/563862905.db2.gz JFIVQFZYVQQPAK-UHFFFAOYSA-N 0 0 324.829 4.789 50 0 DJAARN Cc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c(C)c1 ZINC000075346801 563863809 /nfs/dbraw/zinc/86/38/09/563863809.db2.gz IKSZVIVRRJWLLQ-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN CCCNC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075352883 563864104 /nfs/dbraw/zinc/86/41/04/563864104.db2.gz JKJLTZORKKSGLA-UHFFFAOYSA-N 0 0 311.360 4.506 50 0 DJAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)NC(C)C)cc1 ZINC000075456124 563871363 /nfs/dbraw/zinc/87/13/63/563871363.db2.gz KKUFKUFLMMKIRM-UHFFFAOYSA-N 0 0 307.397 4.673 50 0 DJAARN Cc1nc(-c2cccc(-c3noc(C4CCCC4)n3)c2)cs1 ZINC000035527591 563872417 /nfs/dbraw/zinc/87/24/17/563872417.db2.gz XXLVEIAUMAVNCN-UHFFFAOYSA-N 0 0 311.410 4.826 50 0 DJAARN c1ccc(-c2noc(-c3ccc(NC4CCCCC4)nc3)n2)cc1 ZINC000035527566 563872424 /nfs/dbraw/zinc/87/24/24/563872424.db2.gz IVUVFRYULPLTOP-UHFFFAOYSA-N 0 0 320.396 4.543 50 0 DJAARN O=C(CCSCc1ccc(F)cc1Cl)Nc1ccccc1 ZINC000013016001 563876702 /nfs/dbraw/zinc/87/67/02/563876702.db2.gz OQPKIXXYUCWYFE-UHFFFAOYSA-N 0 0 323.820 4.741 50 0 DJAARN CCCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001776739 563878365 /nfs/dbraw/zinc/87/83/65/563878365.db2.gz BWUJOEQYDPUPEJ-UHFFFAOYSA-N 0 0 308.834 4.516 50 0 DJAARN CC(C)(C)c1ccc(OCCCC(=O)NC2CCCCC2)cc1 ZINC000001773852 563878368 /nfs/dbraw/zinc/87/83/68/563878368.db2.gz NMGVENBIJIZNLR-UHFFFAOYSA-N 0 0 317.473 4.592 50 0 DJAARN CC1=C[C@@H](C)C2(COC([C@H]3[C@@H](C)C=C(C)C[C@@H]3C)OC2)[C@@H](C)C1 ZINC000239287503 563879682 /nfs/dbraw/zinc/87/96/82/563879682.db2.gz CXAHWQODSLYXFB-ZIKBPNQKSA-N 0 0 318.501 5.206 50 0 DJAARN C[C@@H]1CCC[C@H](NC(=S)c2ccc(C(C)(C)C)cc2)[C@H]1C ZINC000239309350 563879948 /nfs/dbraw/zinc/87/99/48/563879948.db2.gz HKAABTHAVIJLHH-KEYYUXOJSA-N 0 0 303.515 5.074 50 0 DJAARN C[C@@H](CC(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000007989883 563883511 /nfs/dbraw/zinc/88/35/11/563883511.db2.gz UHYDDHXHHYPOSY-HNNXBMFYSA-N 0 0 321.376 4.579 50 0 DJAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC(C)C)ccc23)cc1 ZINC000000307746 563886549 /nfs/dbraw/zinc/88/65/49/563886549.db2.gz FIYRKKHLSXCHDR-UHFFFAOYSA-N 0 0 324.376 4.564 50 0 biogenic DJAARN CC1=C[C@H](C)C2(COC(CCc3ccccc3)OC2)[C@H](C)C1 ZINC000001189426 563887236 /nfs/dbraw/zinc/88/72/36/563887236.db2.gz AJGPBQYWOGYCGN-QREPNTDJSA-N 0 0 300.442 4.601 50 0 biogenic DJAARN CC/C=C(\C)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000207881790 563890322 /nfs/dbraw/zinc/89/03/22/563890322.db2.gz QGHOTXCBJVLGCK-LHHJGKSTSA-N 0 0 312.438 4.669 50 0 DJAARN Cc1cc(C)cc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1 ZINC000064968286 563895353 /nfs/dbraw/zinc/89/53/53/563895353.db2.gz DTKRMMWUKILEOK-UHFFFAOYSA-N 0 0 308.381 4.820 50 0 DJAARN CC(C)c1nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2o1 ZINC000064968232 563895515 /nfs/dbraw/zinc/89/55/15/563895515.db2.gz GNEDAHSSKVPVKN-UHFFFAOYSA-N 0 0 314.772 4.857 50 0 DJAARN C[C@H]1CCCC[C@@H]1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000006839915 563896239 /nfs/dbraw/zinc/89/62/39/563896239.db2.gz LFBGAMANKMGEKQ-YOEHRIQHSA-N 0 0 321.420 4.619 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2cccc(C)c2C)c2cc(C)ccc2O1 ZINC000006843118 563896682 /nfs/dbraw/zinc/89/66/82/563896682.db2.gz TYPUMNTVOYLWDR-INIZCTEOSA-N 0 0 324.424 4.821 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)N1CCSc2ccccc21 ZINC000006876854 563897406 /nfs/dbraw/zinc/89/74/06/563897406.db2.gz GYBULDVHIOSGML-UHFFFAOYSA-N 0 0 318.829 4.793 50 0 DJAARN CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000065041825 563897603 /nfs/dbraw/zinc/89/76/03/563897603.db2.gz IEMOFIATOPOSBC-QWHCGFSZSA-N 0 0 313.363 4.504 50 0 DJAARN Cc1ccc(CSc2nncn3c4ccsc4cc23)cc1 ZINC000006893747 563898710 /nfs/dbraw/zinc/89/87/10/563898710.db2.gz NLISLKRXGIQNCE-UHFFFAOYSA-N 0 0 311.435 4.545 50 0 DJAARN Cc1ccccc1NC(=O)c1ccccc1Nc1ccccc1 ZINC000006913023 563899077 /nfs/dbraw/zinc/89/90/77/563899077.db2.gz KWIWWLCBUSQNRK-UHFFFAOYSA-N 0 0 302.377 4.991 50 0 DJAARN CC1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000006913997 563899425 /nfs/dbraw/zinc/89/94/25/563899425.db2.gz FCALCKMBCIZTSY-UHFFFAOYSA-N 0 0 324.449 4.564 50 0 DJAARN Cc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1C ZINC000006997209 563900797 /nfs/dbraw/zinc/90/07/97/563900797.db2.gz HEUORENXQNEHFO-UHFFFAOYSA-N 0 0 303.402 4.563 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000036620325 563901669 /nfs/dbraw/zinc/90/16/69/563901669.db2.gz GKKXQVGVHASYPH-MYZSEDEFSA-N 0 0 323.480 4.875 50 0 DJAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)CC(C)C)c3)nc2c1 ZINC000007343575 563905492 /nfs/dbraw/zinc/90/54/92/563905492.db2.gz JJEMFRWLXOIQKU-UHFFFAOYSA-N 0 0 307.397 4.523 50 0 DJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1C ZINC000007382126 563905724 /nfs/dbraw/zinc/90/57/24/563905724.db2.gz AIZSYVDPEWUOSQ-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1ccccc1-c1nnc(SC[C@@H]2CCc3ccccc32)o1 ZINC000170593356 563906907 /nfs/dbraw/zinc/90/69/07/563906907.db2.gz RTLAODNILCRATQ-HNNXBMFYSA-N 0 0 322.433 4.867 50 0 DJAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N1CCc2ccccc21 ZINC000170620606 563908596 /nfs/dbraw/zinc/90/85/96/563908596.db2.gz MGQAQEAPVCOVGH-ZDUSSCGKSA-N 0 0 314.816 4.516 50 0 DJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2Cl)S1 ZINC000071284250 563909109 /nfs/dbraw/zinc/90/91/09/563909109.db2.gz YYPKTDWPIRGDRW-ZDUSSCGKSA-N 0 0 321.833 4.709 50 0 DJAARN O=C(Nc1ccc(Cl)cn1)Nc1ccc(Cl)cc1Cl ZINC000013320283 563909567 /nfs/dbraw/zinc/90/95/67/563909567.db2.gz PXWNVHUVJWRHEP-UHFFFAOYSA-N 0 0 316.575 4.686 50 0 DJAARN COc1ccc(C)cc1NC(=S)Nc1ccc(C(C)C)cc1 ZINC000013789319 563910117 /nfs/dbraw/zinc/91/01/17/563910117.db2.gz OEPLXYLMGAXTOK-UHFFFAOYSA-N 0 0 314.454 4.936 50 0 DJAARN c1noc(C2CC2)c1CSc1nc(-c2ccccc2)cs1 ZINC000089851290 563911743 /nfs/dbraw/zinc/91/17/43/563911743.db2.gz VXGSHNLMJXROSZ-UHFFFAOYSA-N 0 0 314.435 4.968 50 0 DJAARN O=C(CCNc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000002877772 563913042 /nfs/dbraw/zinc/91/30/42/563913042.db2.gz VTBBGYYHFOVPOB-UHFFFAOYSA-N 0 0 300.210 4.740 50 0 DJAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000003549291 563913065 /nfs/dbraw/zinc/91/30/65/563913065.db2.gz PZQRCZHTCCSTFP-UHFFFAOYSA-N 0 0 314.599 4.828 50 0 DJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2ccccc2C)C1(C)C ZINC000252477910 563915784 /nfs/dbraw/zinc/91/57/84/563915784.db2.gz XOQTVXHPOFSNEY-QYZOEREBSA-N 0 0 311.469 4.897 50 0 DJAARN CC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000208011255 563915811 /nfs/dbraw/zinc/91/58/11/563915811.db2.gz UPYOHJFTKIJHQY-UHFFFAOYSA-N 0 0 312.369 4.575 50 0 DJAARN CC(C)c1cccc2c1CCN(C(=O)Nc1ccccc1F)C2 ZINC000252495461 563916188 /nfs/dbraw/zinc/91/61/88/563916188.db2.gz OQUSXDQBSIHMGL-UHFFFAOYSA-N 0 0 312.388 4.539 50 0 DJAARN c1ccc2c(c1)CCCC[C@@H]2Sc1nnc(-c2ccncc2)o1 ZINC000170650857 563916864 /nfs/dbraw/zinc/91/68/64/563916864.db2.gz ARGKIZJLBHWEQP-INIZCTEOSA-N 0 0 323.421 4.691 50 0 DJAARN O=C(Nc1ccccc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000007609349 563917288 /nfs/dbraw/zinc/91/72/88/563917288.db2.gz UMVBTKRHQLHNSE-UHFFFAOYSA-N 0 0 307.374 4.560 50 0 DJAARN CCc1ccc2c(CC(=O)Nc3ccccc3Cl)coc2c1 ZINC000007639781 563917512 /nfs/dbraw/zinc/91/75/12/563917512.db2.gz CAXIERBZOAPTEJ-UHFFFAOYSA-N 0 0 313.784 4.830 50 0 DJAARN Cc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)cc1 ZINC000007643592 563917725 /nfs/dbraw/zinc/91/77/25/563917725.db2.gz NRISROJEOIEGPY-UHFFFAOYSA-N 0 0 324.449 4.908 50 0 DJAARN CSc1cccc(NC(=O)CCCOc2cccc(C)c2)c1 ZINC000007653631 563917771 /nfs/dbraw/zinc/91/77/71/563917771.db2.gz PFTZUDDCULIAEJ-UHFFFAOYSA-N 0 0 315.438 4.515 50 0 DJAARN COc1ccc(C(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000002520633 563917777 /nfs/dbraw/zinc/91/77/77/563917777.db2.gz JANXBRNEOGHOIF-UHFFFAOYSA-N 0 0 306.814 4.714 50 0 DJAARN Cc1cc2nc(Oc3ccc(C)c(C)c3)c3ccccc3n2n1 ZINC000007737795 563918698 /nfs/dbraw/zinc/91/86/98/563918698.db2.gz BTPWDBVRBDNMRC-UHFFFAOYSA-N 0 0 303.365 4.600 50 0 DJAARN Cc1cc2nc(Oc3ccc(Cl)cc3)c3ccccc3n2n1 ZINC000007737804 563918796 /nfs/dbraw/zinc/91/87/96/563918796.db2.gz ULICPWGSDNURFJ-UHFFFAOYSA-N 0 0 309.756 4.637 50 0 DJAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](OC)[C@@]3(C)CC[C@H]21 ZINC000252629604 563919533 /nfs/dbraw/zinc/91/95/33/563919533.db2.gz UJVDXOJUUSHVJY-WAPOTWQKSA-N 0 0 300.442 4.566 50 0 DJAARN CC[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C ZINC000252694648 563920400 /nfs/dbraw/zinc/92/04/00/563920400.db2.gz NVYBDSYHTNOJSQ-XKRYSZRTSA-N 0 0 314.469 4.692 50 0 biogenic DJAARN CCCCc1nc2sc3c(ncnc3Cl)c2c2c1CCC2 ZINC000002234305 563920403 /nfs/dbraw/zinc/92/04/03/563920403.db2.gz QHBQKRCQMBJPHY-UHFFFAOYSA-N 0 0 317.845 4.724 50 0 DJAARN Clc1ccc(OCCSc2nc3ccccc3o2)cc1 ZINC000002471354 563920473 /nfs/dbraw/zinc/92/04/73/563920473.db2.gz WGKAUHHJPGGSFY-UHFFFAOYSA-N 0 0 305.786 4.652 50 0 DJAARN Fc1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000002248737 563920758 /nfs/dbraw/zinc/92/07/58/563920758.db2.gz ZOXDBZJSMWIVFD-UHFFFAOYSA-N 0 0 316.339 4.575 50 0 DJAARN c1cc2c3c(ccc(CSCCc4ccncc4)c3c1)CC2 ZINC000002275256 563921077 /nfs/dbraw/zinc/92/10/77/563921077.db2.gz PGPWKGRBCMIMBM-UHFFFAOYSA-N 0 0 305.446 4.809 50 0 DJAARN CC(C)(C)[Si](C)(C)n1ccc2cc(Br)cnc21 ZINC000198020408 563924369 /nfs/dbraw/zinc/92/43/69/563924369.db2.gz WJPYOLVKLXHGIE-UHFFFAOYSA-N 0 0 311.299 4.652 50 0 DJAARN C=CC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C ZINC000002294862 563925579 /nfs/dbraw/zinc/92/55/79/563925579.db2.gz BHPMAWFTBAFSQU-NRFANRHFSA-N 0 0 305.421 4.694 50 0 DJAARN COP(=O)(OC)[C@@H](Nc1ccc(C)cc1)c1ccccc1 ZINC000002306092 563925864 /nfs/dbraw/zinc/92/58/64/563925864.db2.gz BYUWIBOOCNAZJR-MRXNPFEDSA-N 0 0 305.314 4.592 50 0 DJAARN CC(C)(C)c1ccc(OCCn2cnc(Cl)c2Cl)cc1 ZINC000002346693 563926172 /nfs/dbraw/zinc/92/61/72/563926172.db2.gz DCJTUOTYJMTFOG-UHFFFAOYSA-N 0 0 313.228 4.566 50 0 DJAARN Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)[C@@H](C)C(=O)[C@H]2C)cc1 ZINC000002338362 563926225 /nfs/dbraw/zinc/92/62/25/563926225.db2.gz ORKDRKWSOGIHNW-OBMJPTGESA-N 0 0 307.437 4.530 50 0 DJAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(Cl)s1 ZINC000253472913 563926446 /nfs/dbraw/zinc/92/64/46/563926446.db2.gz QPTQCCYCRHSTRF-JTQLQIEISA-N 0 0 319.813 4.509 50 0 DJAARN COc1ccccc1[C@@H](C)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154360886 563926780 /nfs/dbraw/zinc/92/67/80/563926780.db2.gz KENYGLRKZCNWJQ-AUUYWEPGSA-N 0 0 323.440 4.619 50 0 DJAARN COc1ccc(C)cc1/C=C/C(=O)Nc1c(C)cc(C)cc1C ZINC000008735065 563927501 /nfs/dbraw/zinc/92/75/01/563927501.db2.gz NTKDWOYYQOFHTP-VQHVLOKHSA-N 0 0 309.409 4.581 50 0 DJAARN Clc1cnccc1-c1csc(COCc2ccccc2)n1 ZINC000225456391 563928197 /nfs/dbraw/zinc/92/81/97/563928197.db2.gz XSSMEEKQURBUBL-UHFFFAOYSA-N 0 0 316.813 4.575 50 0 DJAARN CCCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 ZINC000002424234 563928329 /nfs/dbraw/zinc/92/83/29/563928329.db2.gz ZFAOPVWLGYYADC-UHFFFAOYSA-N 0 0 320.371 4.586 50 0 DJAARN Fc1ccc(-c2csc(-n3nccc3-c3ccccc3)n2)cc1 ZINC000012960624 563929141 /nfs/dbraw/zinc/92/91/41/563929141.db2.gz ROGMHHJBZPTKKV-UHFFFAOYSA-N 0 0 321.380 4.802 50 0 DJAARN CCn1c(SCCC2CCCCC2)nnc1-c1ccco1 ZINC000078931834 563930148 /nfs/dbraw/zinc/93/01/48/563930148.db2.gz VBNFBSUISPDYGI-UHFFFAOYSA-N 0 0 305.447 4.621 50 0 DJAARN CC(C)[C@@H]1SCC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 ZINC000079490581 563930517 /nfs/dbraw/zinc/93/05/17/563930517.db2.gz NGOHOLKQWYUWMD-AWEZNQCLSA-N 0 0 321.833 4.558 50 0 DJAARN CC[C@@H]1CCCCN1C(=O)Nc1ccccc1OCC(C)C ZINC000095352053 563931195 /nfs/dbraw/zinc/93/11/95/563931195.db2.gz GNWFTQWTFKSMKT-OAHLLOKOSA-N 0 0 304.434 4.518 50 0 DJAARN Cc1ccc(CSCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000020688231 563931790 /nfs/dbraw/zinc/93/17/90/563931790.db2.gz IWKLJLOGQGOHSF-JFIYKMOQSA-N 0 0 319.514 4.559 50 0 DJAARN C[C@@H](O)c1cccc(OCc2csc(-c3cccs3)n2)c1 ZINC000095964626 563932750 /nfs/dbraw/zinc/93/27/50/563932750.db2.gz IWBGKQDNMCOTFV-LLVKDONJSA-N 0 0 317.435 4.504 50 0 DJAARN CC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967729 563932857 /nfs/dbraw/zinc/93/28/57/563932857.db2.gz RUEBLISWSAAMQH-QWHCGFSZSA-N 0 0 307.846 4.835 50 0 DJAARN C[C@H](c1ccccn1)N(C)Cc1cnc(C2CCCCC2)s1 ZINC000096003603 563934622 /nfs/dbraw/zinc/93/46/22/563934622.db2.gz KLOPWUFEJZPBKT-CQSZACIVSA-N 0 0 315.486 4.779 50 0 DJAARN COc1ccccc1O[P@@](C)(=O)Nc1ccc(Cl)cc1 ZINC000000326153 563935283 /nfs/dbraw/zinc/93/52/83/563935283.db2.gz BHGODEKGKDSMTH-HXUWFJFHSA-N 0 0 311.705 4.662 50 0 DJAARN CC(=O)Nc1ccc(/C=C\c2nc3cc(C)ccc3s2)cc1 ZINC000096399839 563936508 /nfs/dbraw/zinc/93/65/08/563936508.db2.gz HIUTVTCTRGFKNL-POHAHGRESA-N 0 0 308.406 4.734 50 0 DJAARN CO[C@@H](C)c1cccc(NCc2ncc(-c3cccs3)o2)c1 ZINC000096444403 563936978 /nfs/dbraw/zinc/93/69/78/563936978.db2.gz LJUMQKLVUCCVNF-LBPRGKRZSA-N 0 0 314.410 4.723 50 0 DJAARN Cc1ccn2c(c1)nc(-c1cccnc1)c2Nc1ccccc1C ZINC000002468784 563938067 /nfs/dbraw/zinc/93/80/67/563938067.db2.gz FDTOYQFDOMVVOC-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Cc1cccc2sc(NC(=O)CCCc3ccccc3)nc21 ZINC000028250666 563939231 /nfs/dbraw/zinc/93/92/31/563939231.db2.gz CONIBQMSAJKZTC-UHFFFAOYSA-N 0 0 310.422 4.566 50 0 DJAARN Cc1cc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000002650394 563940119 /nfs/dbraw/zinc/94/01/19/563940119.db2.gz DJDGLUYNUUFCIQ-UHFFFAOYSA-N 0 0 321.342 4.561 50 0 DJAARN Cn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccc(F)cc1 ZINC000002733503 563940535 /nfs/dbraw/zinc/94/05/35/563940535.db2.gz RNNNARPEFMBECD-UHFFFAOYSA-N 0 0 304.727 4.686 50 0 DJAARN CCn1nc(C)c2c1nc(-c1ccc(F)cc1)cc2C(F)F ZINC000002732417 563940627 /nfs/dbraw/zinc/94/06/27/563940627.db2.gz MZKKJQXNRZZEMX-UHFFFAOYSA-N 0 0 305.303 4.503 50 0 DJAARN C[C@@H]1CCCC[C@H]1NC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000002800458 563940826 /nfs/dbraw/zinc/94/08/26/563940826.db2.gz UQEGAUNWLNQPQJ-WXLWQHPMSA-N 0 0 303.490 4.678 50 0 DJAARN CCOc1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 ZINC000670421872 563941253 /nfs/dbraw/zinc/94/12/53/563941253.db2.gz TUXKZVYQEQVSNC-UHFFFAOYSA-N 0 0 309.365 4.516 50 0 DJAARN CC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000003107038 563942102 /nfs/dbraw/zinc/94/21/02/563942102.db2.gz WBCRTYSBPJBFAX-UHFFFAOYSA-N 0 0 314.435 4.547 50 0 DJAARN Cc1cccc(Sc2snnc2-c2ccc(F)cc2)c1 ZINC000003118886 563942338 /nfs/dbraw/zinc/94/23/38/563942338.db2.gz UGXYUYMAHQLXLP-UHFFFAOYSA-N 0 0 302.399 4.804 50 0 DJAARN O=C(Nc1ccc(F)c(F)c1)C1(c2ccc(F)cc2)CCCC1 ZINC000003236243 563943111 /nfs/dbraw/zinc/94/31/11/563943111.db2.gz YUYHXUKJSZMPNB-UHFFFAOYSA-N 0 0 319.326 4.554 50 0 DJAARN C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(Cl)c(F)c1 ZINC000003257438 563943249 /nfs/dbraw/zinc/94/32/49/563943249.db2.gz USCMXTWOKPDUBZ-JTQLQIEISA-N 0 0 320.820 4.627 50 0 DJAARN Cc1cc(Nc2ncnc3sccc32)ccc1Br ZINC000003261293 563943330 /nfs/dbraw/zinc/94/33/30/563943330.db2.gz SZVVCRMRNUNMIX-UHFFFAOYSA-N 0 0 320.215 4.506 50 0 DJAARN CC(C)=CC(=O)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000003266981 563943346 /nfs/dbraw/zinc/94/33/46/563943346.db2.gz TYRURKCRXQAPSX-UHFFFAOYSA-N 0 0 314.382 4.516 50 0 DJAARN COc1cccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)c1 ZINC000030781117 563943778 /nfs/dbraw/zinc/94/37/78/563943778.db2.gz BJPWKMLYKNBUJI-WMQCIHAUSA-N 0 0 323.436 4.947 50 0 DJAARN Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)sc1C ZINC000031077066 563944105 /nfs/dbraw/zinc/94/41/05/563944105.db2.gz OZWUPDWBUWSUKZ-UHFFFAOYSA-N 0 0 315.316 4.516 50 0 DJAARN Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c2cccnc12 ZINC000031096334 563944226 /nfs/dbraw/zinc/94/42/26/563944226.db2.gz UQSADSFGJZXKOF-UHFFFAOYSA-N 0 0 314.747 4.588 50 0 DJAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(OC(F)F)c2C)C1(C)C ZINC000058341491 563944232 /nfs/dbraw/zinc/94/42/32/563944232.db2.gz MONOWMWXQYMZEV-SWLSCSKDSA-N 0 0 323.383 4.773 50 0 DJAARN CSc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1 ZINC000031694954 563944683 /nfs/dbraw/zinc/94/46/83/563944683.db2.gz QGNSCTNRBXKOEJ-NSHDSACASA-N 0 0 305.830 4.553 50 0 DJAARN Clc1ccc(CNc2ncnc3ccccc32)c(Cl)c1 ZINC000031949140 563944915 /nfs/dbraw/zinc/94/49/15/563944915.db2.gz MATOAHPHSGYRBB-UHFFFAOYSA-N 0 0 304.180 4.549 50 0 DJAARN Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000007995989 563946091 /nfs/dbraw/zinc/94/60/91/563946091.db2.gz QDLCJXBMCGGIAS-ZDUSSCGKSA-N 0 0 322.433 4.610 50 0 DJAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2)cc1 ZINC000007989314 563946116 /nfs/dbraw/zinc/94/61/16/563946116.db2.gz OJYLVMVLOCLXGO-IBGZPJMESA-N 0 0 324.424 4.844 50 0 DJAARN Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(C)o1 ZINC000008039793 563946284 /nfs/dbraw/zinc/94/62/84/563946284.db2.gz UEFLWHOFKSWEAB-HXUWFJFHSA-N 0 0 319.404 4.610 50 0 DJAARN CCc1ccc([C@@H](NC(=O)c2ccccc2)c2cccs2)cc1 ZINC000008062273 563946387 /nfs/dbraw/zinc/94/63/87/563946387.db2.gz QVBDQKKBRNGSII-LJQANCHMSA-N 0 0 321.445 4.830 50 0 DJAARN O=C(CCc1ccc(-c2ccccc2)o1)NC1CCCCCC1 ZINC000008085346 563946542 /nfs/dbraw/zinc/94/65/42/563946542.db2.gz PTZITXVEOYSXPG-UHFFFAOYSA-N 0 0 311.425 4.718 50 0 DJAARN CCOc1ccccc1-c1nnc(SCC2CCCCC2)o1 ZINC000008231560 563947432 /nfs/dbraw/zinc/94/74/32/563947432.db2.gz WJGOSNDDMAJZML-UHFFFAOYSA-N 0 0 318.442 4.808 50 0 DJAARN COc1ccccc1-c1nc(-c2c(F)cccc2F)cs1 ZINC000008296914 563947469 /nfs/dbraw/zinc/94/74/69/563947469.db2.gz ZEKYLCLSKFGOFT-UHFFFAOYSA-N 0 0 303.333 4.764 50 0 DJAARN C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4cccs4)n3)cc21 ZINC000008297172 563947587 /nfs/dbraw/zinc/94/75/87/563947587.db2.gz XHCAGXLKOMJJNO-VIFPVBQESA-N 0 0 312.419 4.594 50 0 DJAARN Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3C)o2)cc1 ZINC000008325299 563947794 /nfs/dbraw/zinc/94/77/94/563947794.db2.gz JTOPHLUTGSKKFP-MRXNPFEDSA-N 0 0 321.424 4.546 50 0 DJAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000008367958 563948104 /nfs/dbraw/zinc/94/81/04/563948104.db2.gz YWZWRAVQCKEZSH-DOMZBBRYSA-N 0 0 317.429 4.835 50 0 DJAARN O=C(CCC1CCCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008429547 563948559 /nfs/dbraw/zinc/94/85/59/563948559.db2.gz UVKGGVUGYVWTAH-UHFFFAOYSA-N 0 0 315.413 4.637 50 0 DJAARN COc1ccc(-c2csc(Nc3ccccc3F)n2)cc1 ZINC000067192476 563948664 /nfs/dbraw/zinc/94/86/64/563948664.db2.gz YSJKWHSASCEVHN-UHFFFAOYSA-N 0 0 300.358 4.701 50 0 DJAARN COc1ccc2oc(/C=C/C(=O)Nc3cccc(C)c3C)cc2c1 ZINC000067339515 563949080 /nfs/dbraw/zinc/94/90/80/563949080.db2.gz KNBPJNBZNBLCED-CSKARUKUSA-N 0 0 321.376 4.710 50 0 DJAARN CC(=O)c1ccc(Oc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000008607972 563949398 /nfs/dbraw/zinc/94/93/98/563949398.db2.gz SALXUIQPJTVIJB-UHFFFAOYSA-N 0 0 318.332 4.679 50 0 DJAARN CCc1nc2ccccc2n1CCCCOc1cccc(C)c1 ZINC000008606488 563949437 /nfs/dbraw/zinc/94/94/37/563949437.db2.gz SOVJHZGQYVCJMY-UHFFFAOYSA-N 0 0 308.425 4.766 50 0 DJAARN Cc1occc1-c1nnc(SCc2c(F)cccc2Cl)o1 ZINC000008734065 563950369 /nfs/dbraw/zinc/95/03/69/563950369.db2.gz HBSITMZDYXXCRY-UHFFFAOYSA-N 0 0 324.764 4.723 50 0 DJAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008728076 563950455 /nfs/dbraw/zinc/95/04/55/563950455.db2.gz PBQFHRSWLMRIRN-UHFFFAOYSA-N 0 0 313.184 4.666 50 0 DJAARN Cc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c(C)o1 ZINC000008941513 563951496 /nfs/dbraw/zinc/95/14/96/563951496.db2.gz FZTIUNFYGQUCDK-UHFFFAOYSA-N 0 0 303.361 4.720 50 0 DJAARN Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3)on2)cc1 ZINC000009194885 563953881 /nfs/dbraw/zinc/95/38/81/563953881.db2.gz GILAZVKEBXNPBV-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN O=C(Nc1cccc2[nH]ccc21)c1ccc(-c2ccccc2F)o1 ZINC000069660400 563954221 /nfs/dbraw/zinc/95/42/21/563954221.db2.gz WUUZRUKWKQTLFZ-UHFFFAOYSA-N 0 0 320.323 4.819 50 0 DJAARN CCC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2O)CC1 ZINC000069771588 563954543 /nfs/dbraw/zinc/95/45/43/563954543.db2.gz ULPVEGSZPHJSSR-HNNXBMFYSA-N 0 0 311.425 4.588 50 0 DJAARN Cc1cccn2cc(COc3cc(Cl)ccc3Cl)nc12 ZINC000009376076 563955523 /nfs/dbraw/zinc/95/55/23/563955523.db2.gz RAIIGJDCSAGOJB-UHFFFAOYSA-N 0 0 307.180 4.529 50 0 DJAARN C[C@H](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000070040774 563955787 /nfs/dbraw/zinc/95/57/87/563955787.db2.gz SXBLAEJDSFMTSR-IERDGZPVSA-N 0 0 319.448 4.597 50 0 DJAARN Cc1ccccc1NC(=O)c1ncoc1-c1cccc(Cl)c1 ZINC000009527376 563956626 /nfs/dbraw/zinc/95/66/26/563956626.db2.gz WFLAJZUKHJLMIY-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN CC(C)c1cc(C(=O)N(C)c2ccccc2-c2ccccc2)on1 ZINC000070807105 563957393 /nfs/dbraw/zinc/95/73/93/563957393.db2.gz FBRRFZHAIHDPKJ-UHFFFAOYSA-N 0 0 320.392 4.742 50 0 DJAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1ccccc1 ZINC000009895001 563957965 /nfs/dbraw/zinc/95/79/65/563957965.db2.gz HCSGSIAXMHVJOH-MRXNPFEDSA-N 0 0 320.219 4.971 50 0 DJAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1c(Cl)cccc1Cl ZINC000071280279 563957997 /nfs/dbraw/zinc/95/79/97/563957997.db2.gz PHBQBPAWOMCRSW-SECBINFHSA-N 0 0 324.211 4.894 50 0 DJAARN Cc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1C ZINC000010166038 563958300 /nfs/dbraw/zinc/95/83/00/563958300.db2.gz LDJPCVNYNXDTCP-UHFFFAOYSA-N 0 0 321.424 4.843 50 0 DJAARN Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000010279661 563958556 /nfs/dbraw/zinc/95/85/56/563958556.db2.gz RZWJQWONLXNPSB-LSDHHAIUSA-N 0 0 322.408 4.863 50 0 DJAARN Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000010279655 563958637 /nfs/dbraw/zinc/95/86/37/563958637.db2.gz RZWJQWONLXNPSB-HUUCEWRRSA-N 0 0 322.408 4.863 50 0 DJAARN COc1ccc([C@@H](NC(=O)Nc2ccc(C)cc2)C(C)C)cc1 ZINC000010383052 563958837 /nfs/dbraw/zinc/95/88/37/563958837.db2.gz XBYKQFBBACJRFK-SFHVURJKSA-N 0 0 312.413 4.522 50 0 DJAARN CC[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000010402382 563958874 /nfs/dbraw/zinc/95/88/74/563958874.db2.gz ADKFKKMCWSGHEL-CQSZACIVSA-N 0 0 324.758 4.891 50 0 DJAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C)c1 ZINC000071844347 563959215 /nfs/dbraw/zinc/95/92/15/563959215.db2.gz KZVZUIVZNGTIJR-PMACEKPBSA-N 0 0 307.437 4.793 50 0 DJAARN 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/nfs/dbraw/zinc/91/27/76/180912776.db2.gz CLBCEBCGAWBHAK-NQIIRXRSSA-N 0 0 312.453 4.960 50 0 DJAARN COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 ZINC000002162205 180912955 /nfs/dbraw/zinc/91/29/55/180912955.db2.gz VECJQPCZMNEKNR-UHFFFAOYSA-N 0 0 312.368 4.829 50 0 DJAARN C[C@@H]1CCCC[C@@H]1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002170994 180913597 /nfs/dbraw/zinc/91/35/97/180913597.db2.gz BGFQVRPQANKBJL-MFKMUULPSA-N 0 0 301.308 4.833 50 0 DJAARN CC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000002167821 180913646 /nfs/dbraw/zinc/91/36/46/180913646.db2.gz RHZRXTKYSZTSKG-UHFFFAOYSA-N 0 0 322.286 4.552 50 0 DJAARN COP(=O)(OC)[C@H](Nc1ccc(C)cc1)c1ccccc1 ZINC000002306093 180919310 /nfs/dbraw/zinc/91/93/10/180919310.db2.gz BYUWIBOOCNAZJR-INIZCTEOSA-N 0 0 305.314 4.592 50 0 DJAARN CCCCc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000002610061 180938811 /nfs/dbraw/zinc/93/88/11/180938811.db2.gz RDVZURDSDDKBPS-UHFFFAOYSA-N 0 0 322.202 4.637 50 0 DJAARN CCOC(=O)c1c(C)oc2ccc(OCc3ccc(C)cc3)cc21 ZINC000002667113 180946172 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/nfs/dbraw/zinc/03/39/56/181033956.db2.gz VIOUMJQJHSDYIH-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1C ZINC000003554103 181034066 /nfs/dbraw/zinc/03/40/66/181034066.db2.gz DDBGAYUHDKWORE-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000003561266 181034510 /nfs/dbraw/zinc/03/45/10/181034510.db2.gz FYAIARDBBCHEJI-ZDUSSCGKSA-N 0 0 317.816 4.869 50 0 DJAARN Cc1ccc(F)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000003566378 181035586 /nfs/dbraw/zinc/03/55/86/181035586.db2.gz ZBJMUWVBVBGGEA-UHFFFAOYSA-N 0 0 312.171 4.622 50 0 DJAARN Cc1ccc([C@@H]2CCN(C(=S)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000003588486 181037833 /nfs/dbraw/zinc/03/78/33/181037833.db2.gz QNRXRQNVUQQTCI-GOSISDBHSA-N 0 0 324.493 4.798 50 0 DJAARN CCc1cccc(C)c1NC(=O)CNc1cc(Cl)ccc1C ZINC000003533784 181031268 /nfs/dbraw/zinc/03/12/68/181031268.db2.gz CPMUEYVYYBBPJF-UHFFFAOYSA-N 0 0 316.832 4.570 50 0 DJAARN CCCCCn1c2ccccc2nc1NCc1ccc(OC)cc1 ZINC000003643116 181043678 /nfs/dbraw/zinc/04/36/78/181043678.db2.gz VWQGLFFKIRCROK-UHFFFAOYSA-N 0 0 323.440 4.847 50 0 DJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1 ZINC000003608482 181040383 /nfs/dbraw/zinc/04/03/83/181040383.db2.gz TUDDEAOHKBXTSX-UHFFFAOYSA-N 0 0 316.763 4.532 50 0 DJAARN CCCCCCOc1ccc(NC(=O)c2cccs2)cc1 ZINC000003898306 181054261 /nfs/dbraw/zinc/05/42/61/181054261.db2.gz SAAWMFJYVJJFQQ-UHFFFAOYSA-N 0 0 303.427 4.960 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1C ZINC000004031545 181064980 /nfs/dbraw/zinc/06/49/80/181064980.db2.gz DRKXOTFIYYKGMI-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1ccc(C)c2c1c1ccccc1n2CC(=O)OC(C)(C)C ZINC000004051107 181066796 /nfs/dbraw/zinc/06/67/96/181066796.db2.gz NNRSZVZQSCHQLC-UHFFFAOYSA-N 0 0 309.409 4.753 50 0 DJAARN COc1ccccc1N[C@H](C)CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C ZINC000003999256 181060424 /nfs/dbraw/zinc/06/04/24/181060424.db2.gz NWPFUGLRWBMGIL-CLCXKQKWSA-N 0 0 315.457 4.693 50 0 biogenic DJAARN FC(F)(F)C1=Nc2ccccc2C2(O1)C1CC3CC(C1)CC2C3 ZINC000004001914 181061380 /nfs/dbraw/zinc/06/13/80/181061380.db2.gz LGLOOGYFJZYLMM-UHFFFAOYSA-N 0 0 321.342 4.961 50 0 DJAARN Nc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000004006090 181061471 /nfs/dbraw/zinc/06/14/71/181061471.db2.gz ZXSXGUBNIXLQPG-UHFFFAOYSA-N 0 0 313.360 4.653 50 0 DJAARN Fc1ccccc1N1C[C@@H](c2ccccc2)C(c2cccs2)=N1 ZINC000004021909 181062939 /nfs/dbraw/zinc/06/29/39/181062939.db2.gz NYNPVVSUYSENHW-HNNXBMFYSA-N 0 0 322.408 4.895 50 0 DJAARN CCOc1ccc2ccccc2c1[C@H]1Nc2ccccc2C(=O)N1 ZINC000004108225 181073819 /nfs/dbraw/zinc/07/38/19/181073819.db2.gz BXTTUPQTFCAATL-IBGZPJMESA-N 0 0 318.376 4.667 50 0 DJAARN Cc1ccc(Oc2ccc(C(=O)NCc3cccs3)cc2)cc1 ZINC000004105577 181073894 /nfs/dbraw/zinc/07/38/94/181073894.db2.gz JONBBPQGPSYTAT-UHFFFAOYSA-N 0 0 323.417 4.779 50 0 DJAARN Cc1cccc(CSc2ncnc3c4ccccc4oc32)c1 ZINC000004106820 181074089 /nfs/dbraw/zinc/07/40/89/181074089.db2.gz LTQIFJYRQICSIT-UHFFFAOYSA-N 0 0 306.390 4.977 50 0 DJAARN O[C@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000004128123 181076673 /nfs/dbraw/zinc/07/66/73/181076673.db2.gz OQGDSOGFYFYBTD-HXUWFJFHSA-N 0 0 304.414 4.577 50 0 DJAARN Clc1ccc([C@H]2CN(c3ccccc3)N=C2c2ccco2)cc1 ZINC000004159638 181079629 /nfs/dbraw/zinc/07/96/29/181079629.db2.gz KATOJPZTWJQAEX-QGZVFWFLSA-N 0 0 322.795 4.941 50 0 DJAARN Cc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000004186384 181083080 /nfs/dbraw/zinc/08/30/80/181083080.db2.gz DBASKLHTANFMDK-UHFFFAOYSA-N 0 0 321.449 4.745 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1ccccc1Oc1ccccc1 ZINC000004195992 181083630 /nfs/dbraw/zinc/08/36/30/181083630.db2.gz SFLQOTBGLHEZPR-UHFFFAOYSA-N 0 0 307.324 4.870 50 0 DJAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1C ZINC000004195773 181083670 /nfs/dbraw/zinc/08/36/70/181083670.db2.gz BDOUGZJOEIKGAO-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN Cc1nn(C2c3ccccc3Oc3ccccc32)c(=S)s1 ZINC000004199972 181084550 /nfs/dbraw/zinc/08/45/50/181084550.db2.gz LZYYFDXRFHXWGE-UHFFFAOYSA-N 0 0 312.419 4.726 50 0 DJAARN CC[C@H](C)c1cc(-c2cc(N)n[nH]2)ccc1OCc1ccccc1 ZINC000004237669 181086813 /nfs/dbraw/zinc/08/68/13/181086813.db2.gz VUZIEEHTQRNAPC-AWEZNQCLSA-N 0 0 321.424 4.751 50 0 DJAARN CCCCO[C@@]1(c2ccc(Cl)cc2)OC(=O)c2ccccc21 ZINC000004268396 181090305 /nfs/dbraw/zinc/09/03/05/181090305.db2.gz IOZJRZWULOVVDA-SFHVURJKSA-N 0 0 316.784 4.528 50 0 DJAARN Cc1ccc(C)c2sc(NC(=O)c3cccc(Cl)c3)nc21 ZINC000004330802 181098577 /nfs/dbraw/zinc/09/85/77/181098577.db2.gz JYLDXRVRGKCJGO-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN COc1cc2c(cc1NC(=O)CC(C)(C)C)oc1ccccc12 ZINC000004351542 181101390 /nfs/dbraw/zinc/10/13/90/181101390.db2.gz SSBGIONNQIGSME-UHFFFAOYSA-N 0 0 311.381 4.969 50 0 DJAARN COc1ccc([C@H](c2ccc(C)o2)c2ccccc2)cc1OC ZINC000004370092 181103532 /nfs/dbraw/zinc/10/35/32/181103532.db2.gz YKVUTPBYMRTZRR-HXUWFJFHSA-N 0 0 308.377 4.785 50 0 DJAARN CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000004538713 181121043 /nfs/dbraw/zinc/12/10/43/181121043.db2.gz LALGNNRUOLROFC-UHFFFAOYSA-N 0 0 323.323 4.541 50 0 DJAARN Cc1ccc(C)c(OCC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000004543203 181122563 /nfs/dbraw/zinc/12/25/63/181122563.db2.gz JFXQYOGZYUSYEE-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN COc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1Cl ZINC000004542624 181122593 /nfs/dbraw/zinc/12/25/93/181122593.db2.gz BAOQSSHSPPOVRP-MDZDMXLPSA-N 0 0 322.191 4.654 50 0 DJAARN O=C(Nc1ccccc1F)c1c2ccccc2nc2c1CCCC2 ZINC000004542257 181122621 /nfs/dbraw/zinc/12/26/21/181122621.db2.gz MGCDXPABBGBSAV-UHFFFAOYSA-N 0 0 320.367 4.505 50 0 DJAARN COc1ccc(CCC(=O)Nc2c(C)cccc2C)cc1Cl ZINC000004542189 181122674 /nfs/dbraw/zinc/12/26/74/181122674.db2.gz VESFMELPANTAOD-UHFFFAOYSA-N 0 0 317.816 4.537 50 0 DJAARN CCCCCCNC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000004506977 181117077 /nfs/dbraw/zinc/11/70/77/181117077.db2.gz RWLCGWYITSFVST-UHFFFAOYSA-N 0 0 305.805 4.910 50 0 DJAARN CSc1ccccc1C(=O)Nc1ccc2nc(C)sc2c1 ZINC000004517371 181119097 /nfs/dbraw/zinc/11/90/97/181119097.db2.gz MJYUKMOBAMMMGA-UHFFFAOYSA-N 0 0 314.435 4.579 50 0 DJAARN COC(=O)[C@@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000004520993 181119465 /nfs/dbraw/zinc/11/94/65/181119465.db2.gz PGZCJOPTDHWYES-TYPHKJRUSA-N 0 0 314.469 4.993 50 0 biogenic DJAARN CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1C ZINC000004550269 181124205 /nfs/dbraw/zinc/12/42/05/181124205.db2.gz NRLZVYHRXMEPOR-UHFFFAOYSA-N 0 0 308.208 4.969 50 0 DJAARN O=C1N[C@@H](c2ccc(F)cc2)Nc2scc(-c3ccccc3)c21 ZINC000004571809 181125995 /nfs/dbraw/zinc/12/59/95/181125995.db2.gz KFBOGYUCSWJEKS-MRXNPFEDSA-N 0 0 324.380 4.983 50 0 DJAARN Cc1ccsc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004571569 181126292 /nfs/dbraw/zinc/12/62/92/181126292.db2.gz GWRODVCDMCZULP-RTHLEPHNSA-N 0 0 318.467 4.672 50 0 DJAARN O=C1N[C@@H](c2ccccc2)Nc2scc(-c3ccccc3)c21 ZINC000004571709 181126294 /nfs/dbraw/zinc/12/62/94/181126294.db2.gz MUQVIEPSMMWYPM-MRXNPFEDSA-N 0 0 306.390 4.844 50 0 DJAARN COc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586212 181127460 /nfs/dbraw/zinc/12/74/60/181127460.db2.gz ZDURGNAWDOSWAG-UHFFFAOYSA-N 0 0 306.317 4.523 50 0 biogenic DJAARN O=C1c2ccccc2[C@@H]2CCCCC[C@H]2N1Cc1ccccc1 ZINC000004666929 181134016 /nfs/dbraw/zinc/13/40/16/181134016.db2.gz MJVLNXRGMLNPEM-AZUAARDMSA-N 0 0 305.421 4.759 50 0 DJAARN CC(C)c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000004666190 181134020 /nfs/dbraw/zinc/13/40/20/181134020.db2.gz LOBYZNBZHFDJFY-UHFFFAOYSA-N 0 0 319.404 4.981 50 0 DJAARN COc1cccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000004666423 181134063 /nfs/dbraw/zinc/13/40/63/181134063.db2.gz XRNIIGDXIYFVHM-HNNXBMFYSA-N 0 0 311.425 4.636 50 0 DJAARN Cc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(O)c1 ZINC000004666378 181134078 /nfs/dbraw/zinc/13/40/78/181134078.db2.gz QILNOOMXJMRWDX-HNNXBMFYSA-N 0 0 311.425 4.641 50 0 DJAARN FC(F)(F)c1ccc(-c2nnc(/C=C/c3ccccc3)o2)cc1 ZINC000004667806 181134116 /nfs/dbraw/zinc/13/41/16/181134116.db2.gz LUBRDPYFJLDWKL-IZZDOVSWSA-N 0 0 316.282 4.926 50 0 DJAARN C[C@H]1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000004672821 181134828 /nfs/dbraw/zinc/13/48/28/181134828.db2.gz NRVAUQKZTDSAFL-IMGOXIFKSA-N 0 0 305.421 4.628 50 0 DJAARN C[C@H]1C[C@H](C)CN(C(=O)/C(=C\c2ccccc2)c2ccccc2)C1 ZINC000004616172 181129946 /nfs/dbraw/zinc/12/99/46/181129946.db2.gz JOJVYEUWFFQKCZ-LBLWNZBJSA-N 0 0 319.448 4.732 50 0 DJAARN O=C(Nc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000004645190 181131738 /nfs/dbraw/zinc/13/17/38/181131738.db2.gz VKJRHFLJHUNILF-UHFFFAOYSA-N 0 0 321.167 4.514 50 0 DJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000004696134 181138409 /nfs/dbraw/zinc/13/84/09/181138409.db2.gz ZSNVWJHVAMJMPI-QZTJIDSGSA-N 0 0 321.464 4.713 50 0 DJAARN CCOc1ccccc1OCCCCOc1ccc(C)cc1C ZINC000004702049 181138983 /nfs/dbraw/zinc/13/89/83/181138983.db2.gz YAOSLCJFVXWQHP-UHFFFAOYSA-N 0 0 314.425 4.940 50 0 DJAARN CCCC[C@@H](CC)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004700239 181139145 /nfs/dbraw/zinc/13/91/45/181139145.db2.gz HNJDQUWAOKLFTP-GFCCVEGCSA-N 0 0 301.352 4.652 50 0 DJAARN CCN(Cc1ccccc1)C(=O)c1c(Cl)cccc1Cl ZINC000004700554 181139222 /nfs/dbraw/zinc/13/92/22/181139222.db2.gz UOESRFLCLJDTJN-UHFFFAOYSA-N 0 0 308.208 4.656 50 0 DJAARN Cc1ccc(-c2cn3cc(-c4ccc(C)cc4)n(C)c3n2)cc1 ZINC000004678365 181135315 /nfs/dbraw/zinc/13/53/15/181135315.db2.gz WEUPVDRABXAOGX-UHFFFAOYSA-N 0 0 301.393 4.624 50 0 DJAARN CCC(CC)c1nnc(NC(=O)[C@@H](CC)c2ccccc2)s1 ZINC000004680966 181135924 /nfs/dbraw/zinc/13/59/24/181135924.db2.gz UHQHWYGXHMKKQJ-AWEZNQCLSA-N 0 0 317.458 4.574 50 0 DJAARN Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000004724690 181142850 /nfs/dbraw/zinc/14/28/50/181142850.db2.gz AUDBSPHSOZXTRL-UHFFFAOYSA-N 0 0 308.377 4.606 50 0 DJAARN CCc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000004727588 181142910 /nfs/dbraw/zinc/14/29/10/181142910.db2.gz VUDWDTSEMKZDAA-UHFFFAOYSA-N 0 0 301.389 4.753 50 0 DJAARN Oc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000004740064 181145162 /nfs/dbraw/zinc/14/51/62/181145162.db2.gz HQOLDMQBQNEYCU-UHFFFAOYSA-N 0 0 302.786 4.913 50 0 DJAARN Clc1ccc2oc(SC[C@H]3CC3(Cl)Cl)nc2c1 ZINC000004740829 181145562 /nfs/dbraw/zinc/14/55/62/181145562.db2.gz MOEDRUHBAJCCSX-ZCFIWIBFSA-N 0 0 308.617 4.767 50 0 DJAARN Cc1[nH]nc(-c2ccc(OC(C)C)cc2O)c1Oc1ccccc1 ZINC000004755597 181148918 /nfs/dbraw/zinc/14/89/18/181148918.db2.gz PUCHOSYCPMJNBS-UHFFFAOYSA-N 0 0 324.380 4.670 50 0 DJAARN Cc1ccc([C@]2(c3ccccc3)OC(=O)c3ccccc32)c(C)c1 ZINC000004799577 181153514 /nfs/dbraw/zinc/15/35/14/181153514.db2.gz ICJWVJJTLSELJF-QFIPXVFZSA-N 0 0 314.384 4.766 50 0 DJAARN CC1=N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)O1 ZINC000004811372 181155260 /nfs/dbraw/zinc/15/52/60/181155260.db2.gz CKJXVIUEYRESOE-QPEQYQDCSA-N 0 0 322.147 4.570 50 0 DJAARN CCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 ZINC000004858028 181164311 /nfs/dbraw/zinc/16/43/11/181164311.db2.gz KDUSKFDJXRTSJM-ZZEZOPTASA-N 0 0 312.413 4.998 50 0 DJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCC1 ZINC000004869989 181166551 /nfs/dbraw/zinc/16/65/51/181166551.db2.gz QHPLFAJYQLSCHF-UHFFFAOYSA-N 0 0 306.365 4.624 50 0 DJAARN CN(Cc1ccccc1)Cn1c(=S)oc2ccc(Cl)cc21 ZINC000004881155 181167872 /nfs/dbraw/zinc/16/78/72/181167872.db2.gz LUTPBHZVNRJEFR-UHFFFAOYSA-N 0 0 318.829 4.707 50 0 DJAARN COc1ccc(-c2cc(-c3c(O)ccc4ccccc43)[nH]n2)cc1 ZINC000004934766 181175020 /nfs/dbraw/zinc/17/50/20/181175020.db2.gz VFKLUZZVGJIFAV-UHFFFAOYSA-N 0 0 316.360 4.611 50 0 DJAARN C[C@@H]1CCc2c(sc3nc(-c4ccc(Cl)cc4)cn23)C1 ZINC000004955230 181179055 /nfs/dbraw/zinc/17/90/55/181179055.db2.gz BZYJAJXMTYVCJL-SNVBAGLBSA-N 0 0 302.830 4.841 50 0 DJAARN Cc1cc(C)c(Cn2cccc2C2=N[C@@H](CC(C)C)CO2)c(C)c1 ZINC000004970710 181181731 /nfs/dbraw/zinc/18/17/31/181181731.db2.gz BCCAOWGNHVXOQX-SFHVURJKSA-N 0 0 324.468 4.653 50 0 DJAARN O=C(c1cc2ccccc2o1)N1CCC(c2ccsc2)CC1 ZINC000075157111 191435091 /nfs/dbraw/zinc/43/50/91/191435091.db2.gz HPPANBAZJVUCCB-UHFFFAOYSA-N 0 0 311.406 4.514 50 0 DJAARN Cc1ccc(Nc2nc(SCc3ccccc3)nnc2C)cc1 ZINC000005009213 181189707 /nfs/dbraw/zinc/18/97/07/181189707.db2.gz HJMRQILSXOHVLB-UHFFFAOYSA-N 0 0 322.437 4.524 50 0 DJAARN Cc1ccccc1SCC(=O)O[C@@H](C)c1cccc(F)c1 ZINC000075572704 191494174 /nfs/dbraw/zinc/49/41/74/191494174.db2.gz AZPWGXJHMRMJLM-ZDUSSCGKSA-N 0 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0 DJAARN c1[nH]c2ccccc2c1-c1nnc(SCCc2ccccc2)o1 ZINC000018274528 182101622 /nfs/dbraw/zinc/10/16/22/182101622.db2.gz NPIKINSTYWWRFA-UHFFFAOYSA-N 0 0 321.405 4.553 50 0 DJAARN CCCCc1ccc(N2C(=S)N=NC2c2cccs2)cc1 ZINC000018276723 182101652 /nfs/dbraw/zinc/10/16/52/182101652.db2.gz XMBZXGPMOUAFRN-UHFFFAOYSA-N 0 0 315.467 4.627 50 0 DJAARN C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000018172372 182095919 /nfs/dbraw/zinc/09/59/19/182095919.db2.gz LDBNHWCSLNHPTC-CYBMUJFWSA-N 0 0 308.356 4.862 50 0 DJAARN O=C(Nc1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000018173380 182095932 /nfs/dbraw/zinc/09/59/32/182095932.db2.gz FHHTYPCORALCRJ-FQEVSTJZSA-N 0 0 313.400 4.631 50 0 DJAARN COc1ccc(NC[C@H](C)Oc2cccc(C)c2)cc1Cl ZINC000019738095 182141246 /nfs/dbraw/zinc/14/12/46/182141246.db2.gz ZBEBPSDMMSGGRI-ZDUSSCGKSA-N 0 0 305.805 4.536 50 0 DJAARN Cc1cc2c(c(C)c1Cl)CN(Cc1ccc(Cl)cc1)CO2 ZINC000019848813 182156644 /nfs/dbraw/zinc/15/66/44/182156644.db2.gz WJSWQZUFBHXQSF-UHFFFAOYSA-N 0 0 322.235 4.962 50 0 DJAARN Cc1cc(C)c(C(=O)c2cccc(Br)c2)c(C)c1 ZINC000019878188 182159604 /nfs/dbraw/zinc/15/96/04/182159604.db2.gz DKPXUUMQGALVFE-UHFFFAOYSA-N 0 0 303.199 4.605 50 0 DJAARN CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000020096531 182186311 /nfs/dbraw/zinc/18/63/11/182186311.db2.gz LHSCQIWEYWDJDI-UHFFFAOYSA-N 0 0 323.436 4.844 50 0 DJAARN CCCCN1C(=O)c2ccccc2[C@@H]1SCc1ccccc1 ZINC000020130866 182190014 /nfs/dbraw/zinc/19/00/14/182190014.db2.gz ZPRTUECWEATOEC-IBGZPJMESA-N 0 0 311.450 4.875 50 0 DJAARN Cc1ccc(C)c([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000020356976 182211186 /nfs/dbraw/zinc/21/11/86/182211186.db2.gz MYDBOKZNQPIWQG-HNNXBMFYSA-N 0 0 308.425 4.675 50 0 DJAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020495263 182224467 /nfs/dbraw/zinc/22/44/67/182224467.db2.gz BZMYIZSZVKTYOL-KRWDZBQOSA-N 0 0 301.817 4.857 50 0 DJAARN CCn1ncc2c1nc(-c1ccc(C)c(C)c1)cc2C(F)(F)F ZINC000020615845 182239636 /nfs/dbraw/zinc/23/96/36/182239636.db2.gz MIYUTIPVJOVPRU-UHFFFAOYSA-N 0 0 319.330 4.754 50 0 DJAARN Cc1cc(C(F)F)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000020602979 182237255 /nfs/dbraw/zinc/23/72/55/182237255.db2.gz WYKSEWRYLWLXKG-UHFFFAOYSA-N 0 0 317.314 4.683 50 0 DJAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccs3)sc2C1 ZINC000020897404 182252312 /nfs/dbraw/zinc/25/23/12/182252312.db2.gz FWHPDCOFHWSWRH-JTQLQIEISA-N 0 0 320.483 4.608 50 0 DJAARN Cc1scc(CCNC(=O)Nc2ccc(C)cc2Cl)c1C ZINC000021088250 182264948 /nfs/dbraw/zinc/26/49/48/182264948.db2.gz DAUCOCVVMNAQDZ-UHFFFAOYSA-N 0 0 322.861 4.691 50 0 DJAARN Cc1c(Cl)c(CSc2ccccn2)nc2ccccc12 ZINC000021192155 182268973 /nfs/dbraw/zinc/26/89/73/182268973.db2.gz MBUSOZQCSRTFKR-UHFFFAOYSA-N 0 0 300.814 4.884 50 0 DJAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3C)co2)cc1 ZINC000021363078 182272805 /nfs/dbraw/zinc/27/28/05/182272805.db2.gz AEWMEOLVORHAJP-UHFFFAOYSA-N 0 0 306.365 4.584 50 0 DJAARN Cc1ccnc(Nc2nc(-c3cccc(Cl)c3)cs2)c1 ZINC000021364351 182272856 /nfs/dbraw/zinc/27/28/56/182272856.db2.gz FBPFYTDGOXRZFL-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)nc1 ZINC000021364435 182272994 /nfs/dbraw/zinc/27/29/94/182272994.db2.gz UQGHBFMYFBJAMF-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN CCc1cccc(Nc2cc(C(=O)Nc3ccccc3)ccn2)c1 ZINC000021533587 182278998 /nfs/dbraw/zinc/27/89/98/182278998.db2.gz DIJIQMYDVFJPNR-UHFFFAOYSA-N 0 0 317.392 4.640 50 0 DJAARN Cc1ccc(O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c(C)c1 ZINC000021658909 182283004 /nfs/dbraw/zinc/28/30/04/182283004.db2.gz KEXDLVRYBWAYMV-GFCCVEGCSA-N 0 0 300.789 4.973 50 0 DJAARN CSCc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000021911442 182298164 /nfs/dbraw/zinc/29/81/64/182298164.db2.gz XFPLLEZDJIXDSI-GFCCVEGCSA-N 0 0 319.857 4.694 50 0 DJAARN Cc1cc(OC(=O)c2cc(-c3ccccc3)on2)ccc1Cl ZINC000021785928 182289284 /nfs/dbraw/zinc/28/92/84/182289284.db2.gz HFJDNHWKCARRNC-UHFFFAOYSA-N 0 0 313.740 4.523 50 0 DJAARN CC(C)C[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000022333690 182318890 /nfs/dbraw/zinc/31/88/90/182318890.db2.gz UYYMBGGLDLWUOR-LBPRGKRZSA-N 0 0 305.418 4.719 50 0 DJAARN COC(=O)c1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1 ZINC000022640802 182329590 /nfs/dbraw/zinc/32/95/90/182329590.db2.gz MNSLQJHJWRQGOI-UHFFFAOYSA-N 0 0 309.365 4.579 50 0 biogenic DJAARN c1ccc2oc(CSc3nnc(C4CCCCC4)o3)nc2c1 ZINC000023263840 182354467 /nfs/dbraw/zinc/35/44/67/182354467.db2.gz JWCLEAIBWMYDBG-UHFFFAOYSA-N 0 0 315.398 4.551 50 0 DJAARN O=C(Nc1nc(C2CC2)cs1)c1cc2c(cccc2F)s1 ZINC000023135027 182350081 /nfs/dbraw/zinc/35/00/81/182350081.db2.gz WLURROQEYTZFHI-UHFFFAOYSA-N 0 0 318.398 4.627 50 0 DJAARN c1ccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)cc1 ZINC000023321137 182357265 /nfs/dbraw/zinc/35/72/65/182357265.db2.gz DETMRMCHVWCFTI-UHFFFAOYSA-N 0 0 315.328 4.891 50 0 DJAARN COc1ccc(/C=C/c2nc3ccccc3o2)cc1OC(F)F ZINC000023987059 182370650 /nfs/dbraw/zinc/37/06/50/182370650.db2.gz CLZPANYDQJDSMH-VQHVLOKHSA-N 0 0 317.291 4.608 50 0 DJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccoc1 ZINC000024465476 182380877 /nfs/dbraw/zinc/38/08/77/182380877.db2.gz NXRJMQVGYWNOHL-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN Cc1cc(-c2nc3ccccc3s2)nc2cc3c(cc12)OCO3 ZINC000024513412 182382830 /nfs/dbraw/zinc/38/28/30/182382830.db2.gz LVUKQNDTLCBHOG-UHFFFAOYSA-N 0 0 320.373 4.549 50 0 DJAARN CCCc1ccc([C@H](NC(=O)C2CCC2)c2cccs2)cc1 ZINC000024647863 182386028 /nfs/dbraw/zinc/38/60/28/182386028.db2.gz NOVHOIQXSOACJO-SFHVURJKSA-N 0 0 313.466 4.706 50 0 DJAARN c1cn(C2CC2)c(SCc2csc(-c3ccccc3)n2)n1 ZINC000024989139 182397509 /nfs/dbraw/zinc/39/75/09/182397509.db2.gz SULXMMRTMDWDRV-UHFFFAOYSA-N 0 0 313.451 4.634 50 0 DJAARN Oc1ccc(-c2csc(Nc3ccccc3Cl)n2)c(O)c1 ZINC000024936686 182395191 /nfs/dbraw/zinc/39/51/91/182395191.db2.gz XCBMRYCLJDDFLU-UHFFFAOYSA-N 0 0 318.785 4.618 50 0 DJAARN Cc1c(F)cccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000098073321 193782158 /nfs/dbraw/zinc/78/21/58/193782158.db2.gz CEFSLKYQGHLSHN-UHFFFAOYSA-N 0 0 319.379 4.905 50 0 DJAARN CCOc1ccccc1CCC(=O)Nc1ccc(Cl)cc1C ZINC000025721009 182420941 /nfs/dbraw/zinc/42/09/41/182420941.db2.gz MXRVEKXKYYKWSH-UHFFFAOYSA-N 0 0 317.816 4.618 50 0 DJAARN Cc1cc(C)c(NC(=O)c2cccc3ncccc32)c(Cl)c1 ZINC000032871979 182673403 /nfs/dbraw/zinc/67/34/03/182673403.db2.gz FSRNGLQWILSMCI-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN CCOc1ccc2oc(C(=O)N(CC(C)C)C(C)C)c(C)c2c1 ZINC000032809936 182666262 /nfs/dbraw/zinc/66/62/62/182666262.db2.gz FQMPLSWHRQMMKL-UHFFFAOYSA-N 0 0 317.429 4.647 50 0 DJAARN CCc1oc2ccccc2c1C[C@@H]1c2ccccc2N(CC)C1=O ZINC000101015150 193806776 /nfs/dbraw/zinc/80/67/76/193806776.db2.gz JKEPCKYVCMTOCT-QGZVFWFLSA-N 0 0 319.404 4.688 50 0 DJAARN Fc1ccccc1OCc1noc(-c2ccc3ccccc3c2)n1 ZINC000034907020 182742868 /nfs/dbraw/zinc/74/28/68/182742868.db2.gz VORBRKUZDLNDKQ-UHFFFAOYSA-N 0 0 320.323 4.608 50 0 DJAARN CCCCCCC(=O)N1CCS[C@@H]1c1ccc(C)cc1C ZINC000035816479 182789363 /nfs/dbraw/zinc/78/93/63/182789363.db2.gz WNQHVJDKAZCDBE-GOSISDBHSA-N 0 0 305.487 4.848 50 0 DJAARN Cc1ccc(-c2noc3c2nc(C)nc3NC2CCCCC2)cc1 ZINC000035478720 182777664 /nfs/dbraw/zinc/77/76/64/182777664.db2.gz LVDUIBLSHIXIMF-UHFFFAOYSA-N 0 0 322.412 4.646 50 0 DJAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1cccc(C)c1C ZINC000035671411 182784586 /nfs/dbraw/zinc/78/45/86/182784586.db2.gz WGZGLLSSSXZFRN-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1cc(C)c(NC(=O)NCCc2cccc(Cl)c2)c(C)c1 ZINC000040023922 183028313 /nfs/dbraw/zinc/02/83/13/183028313.db2.gz ROMWSSCYDAHMRL-UHFFFAOYSA-N 0 0 316.832 4.629 50 0 DJAARN C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000040058247 183029975 /nfs/dbraw/zinc/02/99/75/183029975.db2.gz AQESSQZYXOTCLR-FZKQIMNGSA-N 0 0 313.828 4.637 50 0 DJAARN Clc1cccc(-c2nc(CSc3ccccn3)co2)c1 ZINC000040071065 183030724 /nfs/dbraw/zinc/03/07/24/183030724.db2.gz JFAHPMPLWGBISD-UHFFFAOYSA-N 0 0 302.786 4.682 50 0 DJAARN Cc1ccc(CN(C(=O)CCCc2cccs2)C2CC2)cc1 ZINC000040070349 183030872 /nfs/dbraw/zinc/03/08/72/183030872.db2.gz QAAFHDAHMAXYHW-UHFFFAOYSA-N 0 0 313.466 4.570 50 0 DJAARN C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)s1 ZINC000040074609 183031330 /nfs/dbraw/zinc/03/13/30/183031330.db2.gz IPTDBHKPDIMEFI-ZETCQYMHSA-N 0 0 318.200 4.685 50 0 DJAARN CC(C)(C)[C@@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000040088007 183032890 /nfs/dbraw/zinc/03/28/90/183032890.db2.gz GWARMQCUTNKSKD-KRWDZBQOSA-N 0 0 301.455 4.584 50 0 DJAARN CC(C)c1ccccc1NC(=O)NCc1ccccc1Cl ZINC000040097334 183034006 /nfs/dbraw/zinc/03/40/06/183034006.db2.gz SQCGGEYQRSRDKP-UHFFFAOYSA-N 0 0 302.805 4.785 50 0 DJAARN Cc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000040096888 183034281 /nfs/dbraw/zinc/03/42/81/183034281.db2.gz IBSSGPIGMVYSAM-ZIAGYGMSSA-N 0 0 306.837 4.692 50 0 DJAARN Cc1cc(C)cc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000040097777 183034990 /nfs/dbraw/zinc/03/49/90/183034990.db2.gz CWNZDQASRGECKC-CYBMUJFWSA-N 0 0 318.367 4.807 50 0 DJAARN Cc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000040103555 183035588 /nfs/dbraw/zinc/03/55/88/183035588.db2.gz APTXOWLIEIDQGJ-NSHDSACASA-N 0 0 306.768 4.670 50 0 DJAARN CN(C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCc2ccccc21 ZINC000040103860 183035712 /nfs/dbraw/zinc/03/57/12/183035712.db2.gz WHMRQKODVBPZOM-INIZCTEOSA-N 0 0 318.779 4.630 50 0 DJAARN Cc1ccc(OCc2csc(C(C)C)n2)c2c1[C@H](C)CC2=O ZINC000040122923 183038340 /nfs/dbraw/zinc/03/83/40/183038340.db2.gz QRHKQUYKARYWNB-GFCCVEGCSA-N 0 0 315.438 4.844 50 0 DJAARN Cc1ccc(F)cc1NC(=O)c1c(Cl)c2ccccc2n1C ZINC000040143353 183039247 /nfs/dbraw/zinc/03/92/47/183039247.db2.gz PDKBLTDJIJAUSM-UHFFFAOYSA-N 0 0 316.763 4.532 50 0 DJAARN Cc1ccc(C2(CNC(=O)c3ccccc3)CCCCC2)cc1 ZINC000041154837 183178679 /nfs/dbraw/zinc/17/86/79/183178679.db2.gz QWOWJJWUTONAPD-UHFFFAOYSA-N 0 0 307.437 4.627 50 0 DJAARN FC(F)(F)c1ccc2c(Br)c(Cl)cnc2c1 ZINC000041702662 183218189 /nfs/dbraw/zinc/21/81/89/183218189.db2.gz QRVMTBOPSHDOOI-UHFFFAOYSA-N 0 0 310.500 4.670 50 0 DJAARN O=C(Nc1ccccc1Cl)NC1CCC(C(F)(F)F)CC1 ZINC000043146936 183341543 /nfs/dbraw/zinc/34/15/43/183341543.db2.gz GDVZGWJSNUJYBD-UHFFFAOYSA-N 0 0 320.742 4.583 50 0 DJAARN CCCCCc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 ZINC000043209872 183344279 /nfs/dbraw/zinc/34/42/79/183344279.db2.gz BLYYMPNSKZAFJI-UHFFFAOYSA-N 0 0 310.393 4.576 50 0 DJAARN Cc1cccc(CCC(=O)c2cccc(Br)c2)c1 ZINC000043211946 183345221 /nfs/dbraw/zinc/34/52/21/183345221.db2.gz HOGSRFGHEHVRHJ-UHFFFAOYSA-N 0 0 303.199 4.573 50 0 DJAARN CCOC(=O)CCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000043214400 183345299 /nfs/dbraw/zinc/34/52/99/183345299.db2.gz VJSBMEFRRDLGOA-UHFFFAOYSA-N 0 0 323.603 4.563 50 0 DJAARN COc1ccc(-c2cnc(SC)n2-c2ccccc2C)cc1 ZINC000044086713 183394474 /nfs/dbraw/zinc/39/44/74/183394474.db2.gz ITLPXOLPIBNUCL-UHFFFAOYSA-N 0 0 310.422 4.578 50 0 DJAARN Cc1cc(-c2csc(NCCc3ccccc3)n2)ccc1F ZINC000044928832 183459201 /nfs/dbraw/zinc/45/92/01/183459201.db2.gz UHWPCYGBXVDRIU-UHFFFAOYSA-N 0 0 312.413 4.912 50 0 DJAARN O=C(Nc1ccccc1Cl)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018577 183544028 /nfs/dbraw/zinc/54/40/28/183544028.db2.gz DVMUDSQSCRDPMD-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN Fc1ccccc1CN(Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000105037802 194066788 /nfs/dbraw/zinc/06/67/88/194066788.db2.gz CBZRDXYEOOIENG-UHFFFAOYSA-N 0 0 322.383 4.645 50 0 DJAARN COc1cc2occ(-c3ccccc3Cl)c(=O)c2cc1Cl ZINC000048057010 183617325 /nfs/dbraw/zinc/61/73/25/183617325.db2.gz YDKJTZUNWKKPCF-UHFFFAOYSA-N 0 0 321.159 4.775 50 0 DJAARN C[C@H](Nc1ccc(NC(=O)c2ccoc2)cc1)c1ccccc1 ZINC000050005527 183767574 /nfs/dbraw/zinc/76/75/74/183767574.db2.gz YCOUIPHBMBLBSR-AWEZNQCLSA-N 0 0 306.365 4.705 50 0 DJAARN Cc1ccc(F)c(NC(=O)Nc2cccc(Br)c2)c1 ZINC000051354385 183824439 /nfs/dbraw/zinc/82/44/39/183824439.db2.gz WJSGWEJUFRGQCI-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN CC(C)(C)c1ccccc1Oc1ccc(Br)cn1 ZINC000109969434 194301030 /nfs/dbraw/zinc/30/10/30/194301030.db2.gz SQEDGMZVXWMMRB-UHFFFAOYSA-N 0 0 306.203 4.934 50 0 DJAARN CN(Cc1nnc(-c2ccccc2)o1)c1cccc2ccccc21 ZINC000055019973 183958498 /nfs/dbraw/zinc/95/84/98/183958498.db2.gz SNKHRSIUWOHDJZ-UHFFFAOYSA-N 0 0 315.376 4.526 50 0 DJAARN O=C(Nc1cccc(-c2nccs2)c1)N1CCCCCCC1 ZINC000056778525 184019448 /nfs/dbraw/zinc/01/94/48/184019448.db2.gz ACROJJZMAZVNPB-UHFFFAOYSA-N 0 0 315.442 4.608 50 0 DJAARN CCN(c1ccc(C(=O)Nc2ccccc2Cl)cc1)C(C)C ZINC000058054937 184071851 /nfs/dbraw/zinc/07/18/51/184071851.db2.gz UXSHXHDMAITQBH-UHFFFAOYSA-N 0 0 316.832 4.827 50 0 DJAARN FC(F)(F)c1ccnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000057963888 184064020 /nfs/dbraw/zinc/06/40/20/184064020.db2.gz UNYADXVKJZXVDL-UHFFFAOYSA-N 0 0 315.509 4.851 50 0 DJAARN Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3C3CCCC3)cc2c1 ZINC000058017415 184067806 /nfs/dbraw/zinc/06/78/06/184067806.db2.gz DLSPZKVURSVTLB-FQEVSTJZSA-N 0 0 322.452 4.646 50 0 DJAARN Cc1ccc(C[S@](=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000058168103 184083911 /nfs/dbraw/zinc/08/39/11/184083911.db2.gz IFBXCDWGAUTYNG-LJQANCHMSA-N 0 0 313.249 4.751 50 0 DJAARN O=[S@](Cc1ccc(Cl)cc1)Cc1c(F)cccc1Cl ZINC000058201658 184087129 /nfs/dbraw/zinc/08/71/29/184087129.db2.gz QJBRIMXNZVNLJM-IBGZPJMESA-N 0 0 317.212 4.581 50 0 DJAARN Cc1ccc(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)o1 ZINC000058700222 184126548 /nfs/dbraw/zinc/12/65/48/184126548.db2.gz QWGMFKKNQLLCDO-LBPRGKRZSA-N 0 0 303.789 4.607 50 0 DJAARN Cc1ccc2c(Br)c(C)ccc2c1Br ZINC000059803896 184140966 /nfs/dbraw/zinc/14/09/66/184140966.db2.gz CJCKXYUJTNKMQF-UHFFFAOYSA-N 0 0 314.020 4.982 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000064579844 184300807 /nfs/dbraw/zinc/30/08/07/184300807.db2.gz RYNNIZBOJATKCT-GOSISDBHSA-N 0 0 313.828 4.555 50 0 DJAARN CCc1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000064438531 184296959 /nfs/dbraw/zinc/29/69/59/184296959.db2.gz VITNYODAPVLKPQ-UHFFFAOYSA-N 0 0 319.408 4.585 50 0 DJAARN CCCNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472631 184298285 /nfs/dbraw/zinc/29/82/85/184298285.db2.gz YGOQSQLCTCXUDO-UHFFFAOYSA-N 0 0 324.449 4.654 50 0 DJAARN CCC(C)(C)NC(=O)c1sc(-c2ccccc2Cl)nc1C ZINC000064866659 184305271 /nfs/dbraw/zinc/30/52/71/184305271.db2.gz AGAYKLRDEXRHBF-UHFFFAOYSA-N 0 0 322.861 4.690 50 0 DJAARN COC(=O)c1cc(Nc2cc(C)ccc2C)c2cccc(C)c2n1 ZINC000065033664 184308758 /nfs/dbraw/zinc/30/87/58/184308758.db2.gz CGSLKKOYWBINCI-UHFFFAOYSA-N 0 0 320.392 4.690 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1 ZINC000065030032 184308897 /nfs/dbraw/zinc/30/88/97/184308897.db2.gz JVGUDAOZGYJFJV-UHFFFAOYSA-N 0 0 302.377 4.618 50 0 DJAARN COC(=O)c1cc(Nc2ccc(C)cc2C)c2cc(C)ccc2n1 ZINC000065033567 184308920 /nfs/dbraw/zinc/30/89/20/184308920.db2.gz ZVZOXASUYAMQHY-UHFFFAOYSA-N 0 0 320.392 4.690 50 0 DJAARN CCc1cccc(NC(=O)c2ccnc(-c3ccsc3)c2)c1 ZINC000065063155 184309961 /nfs/dbraw/zinc/30/99/61/184309961.db2.gz XIWADQOUHSIXIC-UHFFFAOYSA-N 0 0 308.406 4.625 50 0 DJAARN COc1ccc2oc(-c3noc(-c4ccccc4C)n3)c(C)c2c1 ZINC000065097269 184310817 /nfs/dbraw/zinc/31/08/17/184310817.db2.gz XHDFQQXBKPIYFR-UHFFFAOYSA-N 0 0 320.348 4.775 50 0 DJAARN COc1ccc2oc(-c3noc(-c4ccc(F)cc4)n3)c(C)c2c1 ZINC000065097278 184311036 /nfs/dbraw/zinc/31/10/36/184311036.db2.gz JDZPDKXUHMTXGF-UHFFFAOYSA-N 0 0 324.311 4.606 50 0 DJAARN Cc1nc2cc(-c3noc(-c4cccc(Cl)c4)n3)ccc2o1 ZINC000065149581 184311549 /nfs/dbraw/zinc/31/15/49/184311549.db2.gz PZCRXUVDXAFRTA-UHFFFAOYSA-N 0 0 311.728 4.507 50 0 DJAARN O=C1C[C@@H](c2ccccc2)c2scc(-c3ccccc3)c2N1 ZINC000064604445 184301278 /nfs/dbraw/zinc/30/12/78/184301278.db2.gz HICKFODBBFIWTD-HNNXBMFYSA-N 0 0 305.402 4.889 50 0 DJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)s1 ZINC000064676520 184302386 /nfs/dbraw/zinc/30/23/86/184302386.db2.gz AWILAJYBDAJVIF-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN CCc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000064676390 184302400 /nfs/dbraw/zinc/30/24/00/184302400.db2.gz PHYCAPWTFJZBQK-UHFFFAOYSA-N 0 0 314.435 4.686 50 0 DJAARN CCC(C)(C)NC(=O)c1ccc(-c2csc(C3CC3)n2)cc1 ZINC000064677593 184302502 /nfs/dbraw/zinc/30/25/02/184302502.db2.gz YJNZCEOTBWYUHN-UHFFFAOYSA-N 0 0 314.454 4.606 50 0 DJAARN Cc1nc(-c2ccc(C(=O)NC3CCCCCC3)cc2)cs1 ZINC000064677344 184302687 /nfs/dbraw/zinc/30/26/87/184302687.db2.gz GFCSBSWFZWOPNL-UHFFFAOYSA-N 0 0 314.454 4.571 50 0 DJAARN O=C(Nc1ccccc1)c1ccc(-c2csc(C3CC3)n2)cc1 ZINC000064677615 184302739 /nfs/dbraw/zinc/30/27/39/184302739.db2.gz LUFDAKGQUFYVQX-UHFFFAOYSA-N 0 0 320.417 4.940 50 0 DJAARN CCC(CC)n1ncc2c1NC(=O)C[C@H]2/C(C)=C/c1ccccc1 ZINC000065393415 184334038 /nfs/dbraw/zinc/33/40/38/184334038.db2.gz PLCWTGKIOZCKGB-WKOYGUFESA-N 0 0 323.440 4.774 50 0 DJAARN CCCCc1c(-c2ccccc2)ncn1[C@H](CC)c1ccnn1C ZINC000065380788 184331815 /nfs/dbraw/zinc/33/18/15/184331815.db2.gz KJYGYIZJXXQXNB-QGZVFWFLSA-N 0 0 322.456 4.626 50 0 DJAARN COc1ccc2oc(/C=C/C(=O)Nc3ccc(C)c(C)c3)cc2c1 ZINC000067340013 184461042 /nfs/dbraw/zinc/46/10/42/184461042.db2.gz OCSIIEOKWNALPY-VQHVLOKHSA-N 0 0 321.376 4.710 50 0 DJAARN Cc1nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2s1 ZINC000002624459 256515187 /nfs/dbraw/zinc/51/51/87/256515187.db2.gz SOJFRDFBZYRUDB-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1ccccc1 ZINC000006980291 256520761 /nfs/dbraw/zinc/52/07/61/256520761.db2.gz BVPNMFUNWSZUPO-UHFFFAOYSA-N 0 0 323.421 4.756 50 0 DJAARN Cc1sc(NC(=O)C[C@H]2C=CCC2)nc1-c1ccc(F)cc1 ZINC000029146275 257211102 /nfs/dbraw/zinc/21/11/02/257211102.db2.gz SRKWZWQHITVUAL-LBPRGKRZSA-N 0 0 316.401 4.552 50 0 DJAARN O=C(NCc1ccccc1)c1ccc(-c2ccccc2Cl)o1 ZINC000000540687 257242851 /nfs/dbraw/zinc/24/28/51/257242851.db2.gz NDBBXNVTSVHZKO-UHFFFAOYSA-N 0 0 311.768 4.530 50 0 DJAARN O=C(CSc1ccc2ccccc2n1)c1c[nH]c2ccccc12 ZINC000010961703 257243043 /nfs/dbraw/zinc/24/30/43/257243043.db2.gz UIVXFZDXWZOBRU-UHFFFAOYSA-N 0 0 318.401 4.691 50 0 DJAARN CC(=O)CCCC(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 ZINC000408516151 257256444 /nfs/dbraw/zinc/25/64/44/257256444.db2.gz UOXFXWJPXCMSSE-INIZCTEOSA-N 0 0 324.424 4.558 50 0 DJAARN CC(C)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000000129657 257266516 /nfs/dbraw/zinc/26/65/16/257266516.db2.gz SFRKNQWSZJMMFG-UHFFFAOYSA-N 0 0 319.198 4.792 50 0 DJAARN Cc1[nH]nc(-c2ccccc2Cl)c1NC(=O)C1CCCCC1 ZINC000034796379 257269856 /nfs/dbraw/zinc/26/98/56/257269856.db2.gz CKRHLEKPDNGLMC-UHFFFAOYSA-N 0 0 317.820 4.557 50 0 DJAARN Cc1ccc2cc(C(=O)Nc3cccc(Cl)c3F)ccc2n1 ZINC000121650068 195323979 /nfs/dbraw/zinc/32/39/79/195323979.db2.gz IHQNJTRGUZSZNN-UHFFFAOYSA-N 0 0 314.747 4.588 50 0 DJAARN O=C(NCc1ccco1)N1c2ccccc2Sc2ccccc21 ZINC000000088009 134427468 /nfs/dbraw/zinc/42/74/68/134427468.db2.gz NXCSKPGYAZOLMS-UHFFFAOYSA-N 0 0 322.389 4.792 50 0 DJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CCC1CCCCC1 ZINC000006250531 134474284 /nfs/dbraw/zinc/47/42/84/134474284.db2.gz MPOJRUCQJMMJNJ-CQSZACIVSA-N 0 0 303.421 4.854 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2cc(C)ccc2C)c2cc(C)ccc2O1 ZINC000006843126 134479512 /nfs/dbraw/zinc/47/95/12/134479512.db2.gz IPHMBYMUIOBWLH-MRXNPFEDSA-N 0 0 324.424 4.821 50 0 DJAARN O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccc(F)cc1 ZINC000007884768 134485780 /nfs/dbraw/zinc/48/57/80/134485780.db2.gz QTRGAZVIIJPGOO-QGZVFWFLSA-N 0 0 324.380 4.658 50 0 DJAARN Fc1ccccc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000033255379 134686652 /nfs/dbraw/zinc/68/66/52/134686652.db2.gz IZEJPBDYXVHUSQ-UHFFFAOYSA-N 0 0 323.371 4.533 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCC1 ZINC000008113596 262521236 /nfs/dbraw/zinc/52/12/36/262521236.db2.gz SMCLJKLMYWSIKU-UHFFFAOYSA-N 0 0 319.326 4.766 50 0 DJAARN Cc1cc(Br)ccc1NC(=O)c1ccccc1Cl ZINC000000060023 331458953 /nfs/dbraw/zinc/45/89/53/331458953.db2.gz IEIWPPQXFQPSCQ-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1C ZINC000000150331 331459507 /nfs/dbraw/zinc/45/95/07/331459507.db2.gz VFZAETYLRFVHAZ-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN CN(C)c1ccc(-c2cccc(-c3ccc(N(C)C)cc3)n2)cc1 ZINC000000400009 331462059 /nfs/dbraw/zinc/46/20/59/331462059.db2.gz TXZBNLYLSRCRCR-UHFFFAOYSA-N 0 0 317.436 4.548 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)CSc1ccc(F)cc1 ZINC000000470824 331463266 /nfs/dbraw/zinc/46/32/66/331463266.db2.gz DFNLQJUJNDYNOQ-UHFFFAOYSA-N 0 0 309.793 4.518 50 0 DJAARN Cc1oc(-c2cccs2)nc1CN1c2ccccc2C[C@H]1C ZINC000011048781 331522371 /nfs/dbraw/zinc/52/23/71/331522371.db2.gz CCQCQSPHQFEPJS-GFCCVEGCSA-N 0 0 310.422 4.663 50 0 DJAARN Fc1ccc(/C=C2/CCC[C@@H]3C2=NN[C@@H]3c2ccc(F)cc2)cc1 ZINC000033906400 331643140 /nfs/dbraw/zinc/64/31/40/331643140.db2.gz MYPOZLOTBKKEHR-SZADQMHOSA-N 0 0 324.374 4.849 50 0 DJAARN COc1ccc(OC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000400355 336220237 /nfs/dbraw/zinc/22/02/37/336220237.db2.gz LJICDIYMVJTVBY-UHFFFAOYSA-N 0 0 312.152 4.613 50 0 DJAARN O[C@H](c1ccc2ccccc2c1)[C@H](O)c1cccc2ccccc21 ZINC000002387242 336221169 /nfs/dbraw/zinc/22/11/69/336221169.db2.gz RSFIBRKJSPSKFZ-FGZHOGPDSA-N 0 0 314.384 4.760 50 0 DJAARN Cc1ccc([C@H](O)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000000462456 518189938 /nfs/dbraw/zinc/18/99/38/518189938.db2.gz LLWFUTUCSQIGCF-HXUWFJFHSA-N 0 0 319.404 4.601 50 0 DJAARN CC[C@H](c1ccncc1)N(CC)C(=O)C[C@@H](C)c1ccccc1 ZINC000157552564 522969677 /nfs/dbraw/zinc/96/96/77/522969677.db2.gz MJAKZWUMQNINBQ-VQIMIIECSA-N 0 0 310.441 4.575 50 0 DJAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC1=CCCCC1 ZINC000002641889 525934117 /nfs/dbraw/zinc/93/41/17/525934117.db2.gz IEKCFGBYTBNVIG-MRXNPFEDSA-N 0 0 323.436 4.614 50 0 DJAARN O=C(Sc1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000000364520 563590760 /nfs/dbraw/zinc/59/07/60/563590760.db2.gz YNRVLUWXUFCQMA-UHFFFAOYSA-N 0 0 305.811 4.882 50 0 DJAARN COc1ccc(C)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000000577953 563674843 /nfs/dbraw/zinc/67/48/43/563674843.db2.gz OCKQLMCIPXLLES-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(F)c1 ZINC000051354238 563690108 /nfs/dbraw/zinc/69/01/08/563690108.db2.gz MHLNOZLECHRVOA-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN Cc1cc(C)cc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000013744521 563909835 /nfs/dbraw/zinc/90/98/35/563909835.db2.gz WMUPLHFMPQWBBB-LLVKDONJSA-N 0 0 308.834 4.901 50 0 DJAARN CCCCCC1(CCCCC)NC(=S)N(c2ccccc2)N1 ZINC000002290909 563925593 /nfs/dbraw/zinc/92/55/93/563925593.db2.gz ZUXRKHUMQXKTGQ-UHFFFAOYSA-N 0 0 319.518 4.743 50 0 DJAARN O=C(Nc1cccc2c1CCCC2)c1cnc(Cl)c(Cl)c1 ZINC000008704718 563949798 /nfs/dbraw/zinc/94/97/98/563949798.db2.gz XRTRDDTYEXYQIT-UHFFFAOYSA-N 0 0 321.207 4.520 50 0 DJAARN Cc1ccc(C)c(NC(=S)N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000000098525 563216794 /nfs/dbraw/zinc/21/67/94/563216794.db2.gz ZIPPNSGMFJLGCD-HIFRSBDPSA-N 0 0 304.503 4.805 50 0 DJAARN CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000440560 563254091 /nfs/dbraw/zinc/25/40/91/563254091.db2.gz SHTKYWSBRDIPDC-UHFFFAOYSA-N 0 0 301.817 4.568 50 0 aggregator DJAARN CCCc1cc(=O)oc2cc(OCC=C(C)C)c(Cl)cc12 ZINC000000859127 563272194 /nfs/dbraw/zinc/27/21/94/563272194.db2.gz IKGOCDHTWTVVKD-UHFFFAOYSA-N 0 0 306.789 4.744 50 0 biogenic DJAARN CC[C@@H](C)N(C(=O)/C=C/c1c(F)cccc1Cl)[C@H](C)CC ZINC000001113164 563277810 /nfs/dbraw/zinc/27/78/10/563277810.db2.gz ITZWPSCYEQNAAG-HRFIDBLHSA-N 0 0 311.828 4.918 50 0 DJAARN Cc1ccc(C(=O)CCc2cccc(Br)c2)cc1 ZINC000002516695 563306892 /nfs/dbraw/zinc/30/68/92/563306892.db2.gz MBAUIRRFEJYLSM-UHFFFAOYSA-N 0 0 303.199 4.573 50 0 DJAARN Cc1ccc(C)c(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000002651962 563310808 /nfs/dbraw/zinc/31/08/08/563310808.db2.gz CYIZBWRBDPLBEJ-UHFFFAOYSA-N 0 0 308.208 4.791 50 0 DJAARN O=C(Nc1cccc(Cl)c1)c1csc(-c2cccs2)n1 ZINC000012784165 563372894 /nfs/dbraw/zinc/37/28/94/563372894.db2.gz UBNYIIOUMHWQQO-UHFFFAOYSA-N 0 0 320.826 4.777 50 0 DJAARN CC(C)c1cccc(C(C)C)c1OCCCCn1ccnc1 ZINC000002902808 563449583 /nfs/dbraw/zinc/44/95/83/563449583.db2.gz LUZQIHOXTQPIDN-UHFFFAOYSA-N 0 0 300.446 4.989 50 0 DJAARN CC1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1 ZINC000000014493 563211105 /nfs/dbraw/zinc/21/11/05/563211105.db2.gz QRGQONAZHIKMGC-UHFFFAOYSA-N 0 0 311.381 4.710 50 0 investigational DJAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1 ZINC000000038754 563211580 /nfs/dbraw/zinc/21/15/80/563211580.db2.gz IDSRSIHDDGOWNZ-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN O=C(NCCc1ccccc1)c1sc2ccccc2c1Cl ZINC000000043053 563211680 /nfs/dbraw/zinc/21/16/80/563211680.db2.gz ONZAGZFXKLMOFX-UHFFFAOYSA-N 0 0 315.825 4.527 50 0 DJAARN CC[C@@H](C(=O)Nc1nc2ccc(C)cc2s1)c1ccccc1 ZINC000000035625 563211210 /nfs/dbraw/zinc/21/12/10/563211210.db2.gz IPVIAMIGYLRNLV-CQSZACIVSA-N 0 0 310.422 4.737 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000000390471 563249154 /nfs/dbraw/zinc/24/91/54/563249154.db2.gz JDAVHXQLDFPZJG-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000000037672 563211336 /nfs/dbraw/zinc/21/13/36/563211336.db2.gz NYLVFJLCDJMJEU-JTQLQIEISA-N 0 0 309.793 4.598 50 0 DJAARN Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1F ZINC000000038904 563211490 /nfs/dbraw/zinc/21/14/90/563211490.db2.gz WEQKENORZYSBHF-UHFFFAOYSA-N 0 0 319.379 4.905 50 0 DJAARN Cc1ccc2nc(-c3ccc(NC(=O)C4CC4)cc3)sc2c1 ZINC000000038636 563211522 /nfs/dbraw/zinc/21/15/22/563211522.db2.gz MMYLXBRWWBUMRN-UHFFFAOYSA-N 0 0 308.406 4.620 50 0 DJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000000038403 563211589 /nfs/dbraw/zinc/21/15/89/563211589.db2.gz OHOIZYPKLHRJGE-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN C[C@@H](N[P@](=O)(c1ccccc1)C(C)(C)C)c1ccccc1 ZINC000000044535 563211646 /nfs/dbraw/zinc/21/16/46/563211646.db2.gz RLBMIUWPBJMKRP-VFNWGFHPSA-N 0 0 301.370 4.739 50 0 DJAARN CCOc1ccccc1NC(=O)c1cc(-c2ccccc2)oc1C ZINC000000047291 563211824 /nfs/dbraw/zinc/21/18/24/563211824.db2.gz VYDUUVLDGSNSLZ-UHFFFAOYSA-N 0 0 321.376 4.906 50 0 DJAARN CC1(C)Nc2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000053186 563211980 /nfs/dbraw/zinc/21/19/80/563211980.db2.gz XTCKOYSVKVGNSZ-UHFFFAOYSA-N 0 0 320.314 4.514 50 0 DJAARN Cc1ccc2oc(-c3ccc(Br)cc3)cc(=O)c2c1 ZINC000000057784 563212254 /nfs/dbraw/zinc/21/22/54/563212254.db2.gz GHZQNHWZEFCRJW-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 DJAARN Oc1cccc(Nc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000000065033 563212423 /nfs/dbraw/zinc/21/24/23/563212423.db2.gz GVWJIKJZLUZKNA-UHFFFAOYSA-N 0 0 313.360 4.746 50 0 DJAARN Cc1c2ccc(OCc3ccccc3)cc2oc(=O)c1CC(C)C ZINC000000069960 563212807 /nfs/dbraw/zinc/21/28/07/563212807.db2.gz SCRUHSKBHQRWRP-UHFFFAOYSA-N 0 0 322.404 4.879 50 0 biogenic DJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000000074943 563213615 /nfs/dbraw/zinc/21/36/15/563213615.db2.gz VWSJOZOLDCBHDR-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN Cc1cccc(-c2nc3sc(-c4ccccc4)cc3c(=O)o2)c1 ZINC000000090198 563215259 /nfs/dbraw/zinc/21/52/59/563215259.db2.gz JPTCYMMYFQQPJB-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000000091315 563215734 /nfs/dbraw/zinc/21/57/34/563215734.db2.gz LGCBUDDJLFRKAY-IAQYHMDHSA-N 0 0 303.789 4.628 50 0 DJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000093662 563215816 /nfs/dbraw/zinc/21/58/16/563215816.db2.gz ZMZITGKKGXQSSQ-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN COc1c(Cl)ccc(Cl)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000000094831 563216291 /nfs/dbraw/zinc/21/62/91/563216291.db2.gz PBAGQVUXPTWRDA-UHFFFAOYSA-N 0 0 324.207 4.871 50 0 DJAARN Cc1cc2c(cc1C)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000000099417 563217010 /nfs/dbraw/zinc/21/70/10/563217010.db2.gz VQFGRBUCQYVCST-ZDUSSCGKSA-N 0 0 319.326 4.796 50 0 DJAARN O=C1c2ccccc2N[C@H](c2ccccc2F)N1c1ccccc1 ZINC000000104456 563217333 /nfs/dbraw/zinc/21/73/33/563217333.db2.gz UMMDFHVNOCVOCD-IBGZPJMESA-N 0 0 318.351 4.597 50 0 DJAARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C)cc1 ZINC000000103653 563217511 /nfs/dbraw/zinc/21/75/11/563217511.db2.gz NYNFVPCCLKJLBA-NRFANRHFSA-N 0 0 316.404 4.629 50 0 DJAARN Cc1cccc(N2COc3cc(C)c(Cl)c(C)c3C2)c1C ZINC000000107693 563217983 /nfs/dbraw/zinc/21/79/83/563217983.db2.gz DQKZKYFNPYCSMX-UHFFFAOYSA-N 0 0 301.817 4.930 50 0 DJAARN COc1ccc(OCc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000000113855 563219248 /nfs/dbraw/zinc/21/92/48/563219248.db2.gz YSNNPMZPRPTJSD-UHFFFAOYSA-N 0 0 315.369 4.537 50 0 DJAARN O=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000000120251 563219876 /nfs/dbraw/zinc/21/98/76/563219876.db2.gz POOXOHISLGOAEF-UHFFFAOYSA-N 0 0 318.216 4.955 50 0 DJAARN Fc1ccccc1Cn1c2ccccc2nc1-c1cccs1 ZINC000000117488 563219956 /nfs/dbraw/zinc/21/99/56/563219956.db2.gz JZOWDOFTVGQHSX-UHFFFAOYSA-N 0 0 308.381 4.952 50 0 DJAARN Clc1ccc(SCc2csc(-c3ccno3)n2)cc1 ZINC000000123802 563220597 /nfs/dbraw/zinc/22/05/97/563220597.db2.gz LRHIDMVYTAIMLB-UHFFFAOYSA-N 0 0 308.815 4.744 50 0 DJAARN CC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000128578 563221038 /nfs/dbraw/zinc/22/10/38/563221038.db2.gz VXRDZYYVPBNNOW-UHFFFAOYSA-N 0 0 315.800 4.556 50 0 DJAARN Cc1cccc(C)c1NC(=S)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000000128649 563221840 /nfs/dbraw/zinc/22/18/40/563221840.db2.gz CMKBFTIUNQSMGP-DOMZBBRYSA-N 0 0 304.503 4.805 50 0 DJAARN CCOC(=O)N[C@@H]1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000133856 563222026 /nfs/dbraw/zinc/22/20/26/563222026.db2.gz ZGAXFUMSSJKMSP-OAHLLOKOSA-N 0 0 319.813 4.640 50 0 DJAARN Brc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000000133558 563222219 /nfs/dbraw/zinc/22/22/19/563222219.db2.gz AVXFJPFSWLMKSG-UHFFFAOYSA-N 0 0 324.015 4.783 50 0 DJAARN Cc1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1C ZINC000000133589 563222262 /nfs/dbraw/zinc/22/22/62/563222262.db2.gz RLNJGQOIAYCSBE-UHFFFAOYSA-N 0 0 311.425 4.618 50 0 DJAARN O[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000000135062 563222286 /nfs/dbraw/zinc/22/22/86/563222286.db2.gz DEIGXBAZAOVYHC-ZDUSSCGKSA-N 0 0 320.232 4.806 50 0 DJAARN O=C(CSC1CCCCC1)c1ccc(Br)cc1 ZINC000000135837 563222385 /nfs/dbraw/zinc/22/23/85/563222385.db2.gz ZNEBLXAHDQSLPX-UHFFFAOYSA-N 0 0 313.260 4.698 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccccc1Cl ZINC000000136854 563222959 /nfs/dbraw/zinc/22/29/59/563222959.db2.gz LNGDFXOOCUUJSX-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN Fc1cc(CSc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000000140522 563223195 /nfs/dbraw/zinc/22/31/95/563223195.db2.gz OFEDXVORMVUYFI-UHFFFAOYSA-N 0 0 310.777 4.638 50 0 DJAARN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)C1CCCCC1 ZINC000000149092 563224647 /nfs/dbraw/zinc/22/46/47/563224647.db2.gz PVVKFBWZYLVRFT-UHFFFAOYSA-N 0 0 322.404 4.712 50 0 DJAARN O=C(NCc1csc2ccc(Cl)cc12)Nc1ccccc1 ZINC000000147980 563224741 /nfs/dbraw/zinc/22/47/41/563224741.db2.gz FZJXJUVHDUXYJR-UHFFFAOYSA-N 0 0 316.813 4.876 50 0 DJAARN Cc1cccc(NC(=O)Nc2ccc(-c3ccccc3)s2)n1 ZINC000000153478 563225227 /nfs/dbraw/zinc/22/52/27/563225227.db2.gz GROWHLMKINYWIA-UHFFFAOYSA-N 0 0 309.394 4.763 50 0 DJAARN Fc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000000152644 563225350 /nfs/dbraw/zinc/22/53/50/563225350.db2.gz JYYDVMPKFPKDFQ-UHFFFAOYSA-N 0 0 312.291 4.759 50 0 DJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc(Cl)c1 ZINC000000168390 563226241 /nfs/dbraw/zinc/22/62/41/563226241.db2.gz XXIHIJKZRNRPHC-NSHDSACASA-N 0 0 318.779 4.852 50 0 DJAARN CCOC(=O)c1ccccc1-c1csc(-c2ccccc2)n1 ZINC000000169918 563226835 /nfs/dbraw/zinc/22/68/35/563226835.db2.gz ZVRWAFQIFGTLPG-UHFFFAOYSA-N 0 0 309.390 4.654 50 0 DJAARN Brc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000000171862 563227353 /nfs/dbraw/zinc/22/73/53/563227353.db2.gz JXYYWKQVSFCDLO-UHFFFAOYSA-N 0 0 317.211 4.635 50 0 DJAARN CCC(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C ZINC000000172554 563227388 /nfs/dbraw/zinc/22/73/88/563227388.db2.gz QIUQMTGTOQSSLW-UHFFFAOYSA-N 0 0 308.381 4.769 50 0 DJAARN Cc1c2ccccc2sc1C(=O)COC(=O)c1ccccc1C ZINC000000172259 563227393 /nfs/dbraw/zinc/22/73/93/563227393.db2.gz IFOKSLARULEHMU-UHFFFAOYSA-N 0 0 324.401 4.558 50 0 DJAARN O=C(CCSc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000000172640 563227534 /nfs/dbraw/zinc/22/75/34/563227534.db2.gz WJPJSYJLHVZYHX-UHFFFAOYSA-N 0 0 300.301 4.664 50 0 DJAARN O=C(Nc1cccc(Cl)c1)O[C@H]1CCCCc2cccnc21 ZINC000000172550 563227563 /nfs/dbraw/zinc/22/75/63/563227563.db2.gz ZOWODTCBBJTMLD-HNNXBMFYSA-N 0 0 316.788 4.751 50 0 DJAARN Cc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000182628 563228430 /nfs/dbraw/zinc/22/84/30/563228430.db2.gz JKFAMTPOFUYCDT-UHFFFAOYSA-N 0 0 315.372 4.871 50 0 DJAARN COc1ccc(C(=O)c2coc3c2cc(O)c2ccccc32)cc1 ZINC000000190308 563229140 /nfs/dbraw/zinc/22/91/40/563229140.db2.gz OWAXASMDNYQJKK-UHFFFAOYSA-N 0 0 318.328 4.531 50 0 DJAARN CC(C)(C)c1cc(C(F)(F)F)n2nc(-c3ccccc3)cc2n1 ZINC000000192792 563229799 /nfs/dbraw/zinc/22/97/99/563229799.db2.gz CSGNQMGGCFJHKG-UHFFFAOYSA-N 0 0 319.330 4.713 50 0 DJAARN O=C(OCc1ccccc1)c1sc2ccccc2c1Cl ZINC000000209279 563231146 /nfs/dbraw/zinc/23/11/46/563231146.db2.gz CDBGTRUDPLENPT-UHFFFAOYSA-N 0 0 302.782 4.912 50 0 DJAARN Cc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000000225764 563231712 /nfs/dbraw/zinc/23/17/12/563231712.db2.gz LCBXSUGPPRGXBT-UHFFFAOYSA-N 0 0 324.401 4.620 50 0 DJAARN Cc1cc2ncc(-c3ccc(Br)cc3)nc2cc1C ZINC000000267300 563234773 /nfs/dbraw/zinc/23/47/73/563234773.db2.gz ACLCTMWSDSPFEU-UHFFFAOYSA-N 0 0 313.198 4.676 50 0 DJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1cc2ccccc2o1 ZINC000000278985 563235104 /nfs/dbraw/zinc/23/51/04/563235104.db2.gz HPPMGAWLMALEGY-UHFFFAOYSA-N 0 0 313.356 4.937 50 0 DJAARN O=C(CSc1nc2ccccc2o1)c1ccc2ccccc2c1 ZINC000000272883 563235167 /nfs/dbraw/zinc/23/51/67/563235167.db2.gz XCAYJRAGGCOUPN-UHFFFAOYSA-N 0 0 319.385 4.956 50 0 DJAARN CC1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000000278100 563235494 /nfs/dbraw/zinc/23/54/94/563235494.db2.gz IGEPFVIIEVJVSZ-ZDUSSCGKSA-N 0 0 318.829 4.681 50 0 DJAARN Cc1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1 ZINC000000285356 563236095 /nfs/dbraw/zinc/23/60/95/563236095.db2.gz RWLHMQMVSKQATK-UHFFFAOYSA-N 0 0 315.372 4.620 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000292878 563236670 /nfs/dbraw/zinc/23/66/70/563236670.db2.gz XVJJVIKWFHLPKA-QWHCGFSZSA-N 0 0 306.192 4.736 50 0 DJAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000000301570 563237860 /nfs/dbraw/zinc/23/78/60/563237860.db2.gz CHLURYZQKUZOFQ-UHFFFAOYSA-N 0 0 324.449 4.513 50 0 DJAARN Cc1ccc(/C=C/C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000000303636 563237884 /nfs/dbraw/zinc/23/78/84/563237884.db2.gz KEUKAJRCIZCOOD-ZHACJKMWSA-N 0 0 308.406 4.565 50 0 DJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C)c2C)c1 ZINC000000308807 563238880 /nfs/dbraw/zinc/23/88/80/563238880.db2.gz PMCCUCYSWAWFRP-UHFFFAOYSA-N 0 0 311.425 4.753 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1cc2ccccc2cc1OC ZINC000000308829 563238947 /nfs/dbraw/zinc/23/89/47/563238947.db2.gz PWQJVZHLFPSDKX-UHFFFAOYSA-N 0 0 319.404 4.972 50 0 DJAARN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1Cl ZINC000000309051 563239192 /nfs/dbraw/zinc/23/91/92/563239192.db2.gz MEBBFDHLPVZVSX-UHFFFAOYSA-N 0 0 303.789 4.608 50 0 DJAARN CCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc32)cc1 ZINC000000313747 563239428 /nfs/dbraw/zinc/23/94/28/563239428.db2.gz CELHJCHGOLRYGG-NTCAYCPXSA-N 0 0 317.388 4.890 50 0 DJAARN CC(C)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000000311436 563239633 /nfs/dbraw/zinc/23/96/33/563239633.db2.gz NDXIDRDZUKKWBT-UHFFFAOYSA-N 0 0 318.214 4.825 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000000318809 563240929 /nfs/dbraw/zinc/24/09/29/563240929.db2.gz LRNKJLDUCMUEEU-UHFFFAOYSA-N 0 0 303.789 4.688 50 0 DJAARN CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 ZINC000000341396 563242143 /nfs/dbraw/zinc/24/21/43/563242143.db2.gz WUQLFRLKEHWMMG-UHFFFAOYSA-N 0 0 301.361 4.872 50 0 aggregator DJAARN S=c1[nH]c2cc(Br)ccc2n1Cc1ccccc1 ZINC000000340492 563242169 /nfs/dbraw/zinc/24/21/69/563242169.db2.gz QSUKTHOQXPFRJG-UHFFFAOYSA-N 0 0 319.227 4.510 50 0 DJAARN C[NH+](C)CCO[C@@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000000347512 563242812 /nfs/dbraw/zinc/24/28/12/563242812.db2.gz JBNXNHYDUPJLCJ-KRWDZBQOSA-N 0 0 324.251 4.661 50 0 DJAARN Cc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000000349664 563243436 /nfs/dbraw/zinc/24/34/36/563243436.db2.gz CNGUIGYTWNDWCW-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CCSc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 ZINC000000356626 563243693 /nfs/dbraw/zinc/24/36/93/563243693.db2.gz LYJMTHBXHWNWER-UHFFFAOYSA-N 0 0 315.467 4.539 50 0 DJAARN Clc1cccc(Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000354844 563243787 /nfs/dbraw/zinc/24/37/87/563243787.db2.gz YDUKMCXMOCKPQZ-UHFFFAOYSA-N 0 0 315.829 4.967 50 0 DJAARN O=C(Nc1ccc(Cl)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000000353794 563243816 /nfs/dbraw/zinc/24/38/16/563243816.db2.gz KDEFOWSYDNVYSK-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN COc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000357655 563244258 /nfs/dbraw/zinc/24/42/58/563244258.db2.gz FXVCRMJLMDVZCI-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)Cc1cccc2ccccc21 ZINC000000361830 563244701 /nfs/dbraw/zinc/24/47/01/563244701.db2.gz BFMYVXHVDRVESK-UHFFFAOYSA-N 0 0 309.796 4.983 50 0 DJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000000364588 563245186 /nfs/dbraw/zinc/24/51/86/563245186.db2.gz PGRDWFJTMKLKIB-HNNXBMFYSA-N 0 0 305.377 4.554 50 0 DJAARN Cc1cccc(C(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000000364096 563245253 /nfs/dbraw/zinc/24/52/53/563245253.db2.gz GZHNVWGZSZGSIW-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(Cl)cc1 ZINC000000363780 563245325 /nfs/dbraw/zinc/24/53/25/563245325.db2.gz VUDCNEMZSLOMIO-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1 ZINC000000364964 563245903 /nfs/dbraw/zinc/24/59/03/563245903.db2.gz HTUUJLARSMDXTQ-KRWDZBQOSA-N 0 0 311.425 4.635 50 0 DJAARN CC[C@@H](C)NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000000371502 563246491 /nfs/dbraw/zinc/24/64/91/563246491.db2.gz DKERHDKPZMWELC-CQSZACIVSA-N 0 0 318.420 4.739 50 0 DJAARN CC(C)(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1 ZINC000000376308 563247151 /nfs/dbraw/zinc/24/71/51/563247151.db2.gz OXXMNGBLRWOSRJ-UHFFFAOYSA-N 0 0 315.844 4.610 50 0 DJAARN Cc1cc(C)c(NC(=O)CSCc2ccccc2C)c(C)c1 ZINC000000382505 563247702 /nfs/dbraw/zinc/24/77/02/563247702.db2.gz GQNXWRQZSPQUCA-UHFFFAOYSA-N 0 0 313.466 4.792 50 0 DJAARN CCc1cc2cc(C(=O)Nc3ccccc3F)sc2s1 ZINC000000382999 563248271 /nfs/dbraw/zinc/24/82/71/563248271.db2.gz WHLQQOPJXRTWRO-UHFFFAOYSA-N 0 0 305.399 4.917 50 0 DJAARN Cc1nc(Cl)sc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000384924 563248674 /nfs/dbraw/zinc/24/86/74/563248674.db2.gz JPBKXCHPRUVSQV-UHFFFAOYSA-N 0 0 321.616 4.664 50 0 DJAARN CCc1cccc(CC)c1NC(=O)N(CC(C)C)CC(C)C ZINC000000397405 563250566 /nfs/dbraw/zinc/25/05/66/563250566.db2.gz UUMCLKXXIMJUHM-UHFFFAOYSA-N 0 0 304.478 4.957 50 0 DJAARN CC(C)c1cccc(C(C)C)c1NC(=O)NCc1ccco1 ZINC000000397291 563250592 /nfs/dbraw/zinc/25/05/92/563250592.db2.gz VURXVNPHADWHRI-UHFFFAOYSA-N 0 0 300.402 4.848 50 0 DJAARN O=C(Nc1ccc(Cl)cn1)Nc1cccc(Cl)c1Cl ZINC000000401879 563251171 /nfs/dbraw/zinc/25/11/71/563251171.db2.gz CTRPUEMHXHGDTF-UHFFFAOYSA-N 0 0 316.575 4.686 50 0 DJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000000407552 563251356 /nfs/dbraw/zinc/25/13/56/563251356.db2.gz CHLIRLOUZUPINS-GFCCVEGCSA-N 0 0 322.235 4.745 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000000406657 563251572 /nfs/dbraw/zinc/25/15/72/563251572.db2.gz UAWQFSORQPLRRL-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN Cc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 ZINC000000435863 563254005 /nfs/dbraw/zinc/25/40/05/563254005.db2.gz ARXYASGOOYTBIP-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN Cc1cc(C)cc(CSCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000000443512 563254894 /nfs/dbraw/zinc/25/48/94/563254894.db2.gz AGLCIMVYIZLNJZ-UHFFFAOYSA-N 0 0 313.466 4.792 50 0 DJAARN CCC(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl ZINC000000444514 563255122 /nfs/dbraw/zinc/25/51/22/563255122.db2.gz HXHKNFZOMZIYKZ-UHFFFAOYSA-N 0 0 314.772 4.805 50 0 DJAARN Cc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000000444867 563255662 /nfs/dbraw/zinc/25/56/62/563255662.db2.gz FIJIANNWVHMYDM-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN Cc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1Cl ZINC000000452423 563256678 /nfs/dbraw/zinc/25/66/78/563256678.db2.gz KOXIBZHJPVFXHD-UHFFFAOYSA-N 0 0 321.763 4.602 50 0 DJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000000453109 563256851 /nfs/dbraw/zinc/25/68/51/563256851.db2.gz RCIUHQWJBXNYBR-MRXNPFEDSA-N 0 0 317.388 4.760 50 0 DJAARN Cc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000000453488 563256872 /nfs/dbraw/zinc/25/68/72/563256872.db2.gz YMVPPBLUDFDWMK-XMHGGMMESA-N 0 0 303.361 4.767 50 0 DJAARN Cc1ccc(C)c(COc2ccc3c(C)c(C)c(=O)oc3c2C)c1 ZINC000000453780 563257356 /nfs/dbraw/zinc/25/73/56/563257356.db2.gz DAQHHXFQSFJHHI-UHFFFAOYSA-N 0 0 322.404 4.914 50 0 DJAARN CCc1cc(=O)oc2c(C)c(OCc3ccc(C)cc3)ccc12 ZINC000000454096 563257375 /nfs/dbraw/zinc/25/73/75/563257375.db2.gz FYWHZAVJOCMLNW-UHFFFAOYSA-N 0 0 308.377 4.551 50 0 DJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1 ZINC000000453927 563257491 /nfs/dbraw/zinc/25/74/91/563257491.db2.gz ADZNAOUMPMXYMX-UHFFFAOYSA-N 0 0 307.349 4.516 50 0 DJAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2nccs2)o1 ZINC000000459822 563258467 /nfs/dbraw/zinc/25/84/67/563258467.db2.gz GLAQMHGKAQRKJT-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000000459784 563258491 /nfs/dbraw/zinc/25/84/91/563258491.db2.gz DXOGLKKGSORULL-UHFFFAOYSA-N 0 0 321.807 4.773 50 0 DJAARN CCN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C1CCCCC1 ZINC000000466646 563259515 /nfs/dbraw/zinc/25/95/15/563259515.db2.gz SXLPINIKMXTRDC-UHFFFAOYSA-N 0 0 323.864 4.679 50 0 DJAARN CCC(CC)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000470426 563260633 /nfs/dbraw/zinc/26/06/33/563260633.db2.gz AFCNOQHLCUWFGR-UHFFFAOYSA-N 0 0 307.397 4.605 50 0 DJAARN CCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000000474100 563261368 /nfs/dbraw/zinc/26/13/68/563261368.db2.gz NIMFGQWBLYLYJI-ZDUSSCGKSA-N 0 0 317.816 4.617 50 0 DJAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000000474727 563261758 /nfs/dbraw/zinc/26/17/58/563261758.db2.gz PZGHVBBLFYAIKZ-CYBMUJFWSA-N 0 0 317.816 4.869 50 0 DJAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1Cl ZINC000000476076 563261822 /nfs/dbraw/zinc/26/18/22/563261822.db2.gz LKOSYOJGUSQPEX-NSHDSACASA-N 0 0 324.207 4.708 50 0 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c1ccc2oc(-c3cccc(-c4nc5ccccc5o4)n3)nc2c1 ZINC000000809916 563271744 /nfs/dbraw/zinc/27/17/44/563271744.db2.gz LABDAMKZNFRJIA-UHFFFAOYSA-N 0 0 313.316 4.698 50 0 DJAARN Cc1ccc(CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000795375 563271901 /nfs/dbraw/zinc/27/19/01/563271901.db2.gz IVUAFMVKUWYEQQ-UHFFFAOYSA-N 0 0 315.825 4.793 50 0 DJAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccs1 ZINC000000884412 563273023 /nfs/dbraw/zinc/27/30/23/563273023.db2.gz BNTMXQAGHQBNOD-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000000987404 563273578 /nfs/dbraw/zinc/27/35/78/563273578.db2.gz HZZXDIZIBVDEMH-INIZCTEOSA-N 0 0 301.389 4.845 50 0 DJAARN COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000001009451 563274722 /nfs/dbraw/zinc/27/47/22/563274722.db2.gz GRLAWUWNQXWQMJ-UHFFFAOYSA-N 0 0 318.376 4.691 50 0 DJAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)NC(C)(C)C)c1 ZINC000001030809 563275079 /nfs/dbraw/zinc/27/50/79/563275079.db2.gz RRWXTNUYUYHVPF-IBGZPJMESA-N 0 0 321.464 4.524 50 0 DJAARN CC[C@H](C(=O)Nc1nc2c(cccc2C)s1)c1ccccc1 ZINC000001049230 563275693 /nfs/dbraw/zinc/27/56/93/563275693.db2.gz UJQXJTNXNHNZHD-AWEZNQCLSA-N 0 0 310.422 4.737 50 0 DJAARN O=C(NCc1ccccc1F)c1sc2ccccc2c1Cl ZINC000001054075 563276013 /nfs/dbraw/zinc/27/60/13/563276013.db2.gz AUELIOIRMGFYMZ-UHFFFAOYSA-N 0 0 319.788 4.624 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1ccc(Br)s1 ZINC000001053757 563276064 /nfs/dbraw/zinc/27/60/64/563276064.db2.gz XZMYNTOVYJBYCY-UHFFFAOYSA-N 0 0 324.243 4.634 50 0 DJAARN CCC(CC)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000001179898 563278775 /nfs/dbraw/zinc/27/87/75/563278775.db2.gz NMVALBORRROZDW-GOSISDBHSA-N 0 0 313.466 4.825 50 0 DJAARN Cc1ccc2c(Cl)c(C(=O)Nc3ccccn3)sc2c1 ZINC000001202490 563279138 /nfs/dbraw/zinc/27/91/38/563279138.db2.gz CAZIPTYMWNWHMU-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN COc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000001229882 563279993 /nfs/dbraw/zinc/27/99/93/563279993.db2.gz ILKNDHBHSMVOCU-UHFFFAOYSA-N 0 0 317.388 4.543 50 0 DJAARN O=C(Nc1cccc2c1CCCC2)c1ccc2ccccc2c1 ZINC000001230070 563280148 /nfs/dbraw/zinc/28/01/48/563280148.db2.gz AWFMCQZCKBYDBN-UHFFFAOYSA-N 0 0 301.389 4.971 50 0 DJAARN O=C(c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1 ZINC000001395931 563282045 /nfs/dbraw/zinc/28/20/45/563282045.db2.gz OKUNWXWFDHBCGU-UHFFFAOYSA-N 0 0 317.772 4.834 50 0 DJAARN COc1cccc2cc(C(=O)c3ccc(Cl)cc3Cl)oc21 ZINC000001392940 563282066 /nfs/dbraw/zinc/28/20/66/563282066.db2.gz TTZHNZWZIFPVHY-UHFFFAOYSA-N 0 0 321.159 4.979 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1 ZINC000001425257 563283591 /nfs/dbraw/zinc/28/35/91/563283591.db2.gz VZHUDHQIVYXXEQ-UHFFFAOYSA-N 0 0 309.196 4.566 50 0 DJAARN COC(=O)/C=C/c1ccc2cc(OCc3ccccc3)ccc2c1 ZINC000001406444 563283693 /nfs/dbraw/zinc/28/36/93/563283693.db2.gz TYTTWRFBYYJOFF-XYOKQWHBSA-N 0 0 318.372 4.605 50 0 DJAARN O=S(=O)(/C(=C\c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001725585 563293789 /nfs/dbraw/zinc/29/37/89/563293789.db2.gz KCOPDPJFQYVZBV-SILNSSARSA-N 0 0 320.413 4.659 50 0 DJAARN Cc1ccc(OCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000001773403 563295346 /nfs/dbraw/zinc/29/53/46/563295346.db2.gz AKHZPGOXDGJDOK-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN Cc1ccc(C)c(OCCCC(=O)Nc2cccc(C)c2C)c1 ZINC000001779263 563295731 /nfs/dbraw/zinc/29/57/31/563295731.db2.gz JDMYXDOHBAHALM-UHFFFAOYSA-N 0 0 311.425 4.718 50 0 DJAARN Cc1cc2sc(NC(=O)c3cccs3)nc2cc1Cl ZINC000001868079 563297194 /nfs/dbraw/zinc/29/71/94/563297194.db2.gz MANQQOKMICEBDB-UHFFFAOYSA-N 0 0 308.815 4.572 50 0 DJAARN CC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000002069818 563298826 /nfs/dbraw/zinc/29/88/26/563298826.db2.gz PSVDWUNLSXHKPK-OAHLLOKOSA-N 0 0 323.436 4.830 50 0 DJAARN CCCOc1cccc(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000002120983 563300092 /nfs/dbraw/zinc/30/00/92/563300092.db2.gz ZGJLDSMSAAOOKU-UHFFFAOYSA-N 0 0 303.789 4.690 50 0 DJAARN CCCSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C ZINC000002128738 563300360 /nfs/dbraw/zinc/30/03/60/563300360.db2.gz CPKDEKFVDMVYAK-UHFFFAOYSA-N 0 0 309.866 4.757 50 0 DJAARN C[C@H]1CCCC[C@H]1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002170990 563300947 /nfs/dbraw/zinc/30/09/47/563300947.db2.gz BGFQVRPQANKBJL-GXFFZTMASA-N 0 0 301.308 4.833 50 0 DJAARN CCCCc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000002177839 563301687 /nfs/dbraw/zinc/30/16/87/563301687.db2.gz DWMGEJJOTKLRSI-UHFFFAOYSA-N 0 0 310.422 4.891 50 0 DJAARN CCCCC(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000002225360 563302074 /nfs/dbraw/zinc/30/20/74/563302074.db2.gz MTZLCLIADAVMJF-UHFFFAOYSA-N 0 0 312.344 4.763 50 0 DJAARN O=C(CCc1ccc(Br)cc1)c1ccccc1Cl ZINC000002516774 563306646 /nfs/dbraw/zinc/30/66/46/563306646.db2.gz GSSMDMIBWOPAME-UHFFFAOYSA-N 0 0 323.617 4.918 50 0 DJAARN COc1ccccc1CCC(=O)c1cc(Cl)ccc1Cl ZINC000002516481 563306669 /nfs/dbraw/zinc/30/66/69/563306669.db2.gz GVVXGGOVMSJMHU-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002544768 563308378 /nfs/dbraw/zinc/30/83/78/563308378.db2.gz MGGUROGTKGUOGP-UHFFFAOYSA-N 0 0 305.221 4.973 50 0 DJAARN 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Fc1ccc(NC(=S)Nc2ccccc2Cl)cc1Cl ZINC000002754812 563312252 /nfs/dbraw/zinc/31/22/52/563312252.db2.gz PQBVMOQUKRBQHK-UHFFFAOYSA-N 0 0 315.200 4.941 50 0 DJAARN CCCCc1ccc(-c2csc(N)c2C(=O)OCC)cc1 ZINC000002750606 563312393 /nfs/dbraw/zinc/31/23/93/563312393.db2.gz JWDROUQJHOPHCG-UHFFFAOYSA-N 0 0 303.427 4.517 50 0 DJAARN O=C(c1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002767096 563313132 /nfs/dbraw/zinc/31/31/32/563313132.db2.gz KYQAPRCIMXWDDP-UHFFFAOYSA-N 0 0 319.379 4.668 50 0 DJAARN CCCC[C@H](CC)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000002772640 563313264 /nfs/dbraw/zinc/31/32/64/563313264.db2.gz WKESHOCJUGJZOM-LBPRGKRZSA-N 0 0 309.479 4.741 50 0 DJAARN Cc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000002765359 563313273 /nfs/dbraw/zinc/31/32/73/563313273.db2.gz WJGXMLRGMYIBID-UHFFFAOYSA-N 0 0 301.389 4.766 50 0 DJAARN CCOc1ccc(NC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000002851860 563314871 /nfs/dbraw/zinc/31/48/71/563314871.db2.gz VBRVYRZUHABMDQ-UHFFFAOYSA-N 0 0 304.777 4.691 50 0 DJAARN c1nc2ccccc2n1CCOc1ccc(-c2ccccc2)cc1 ZINC000002868311 563315523 /nfs/dbraw/zinc/31/55/23/563315523.db2.gz FAXNGQNYULPODG-UHFFFAOYSA-N 0 0 314.388 4.782 50 0 DJAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1c(C)cccc1C ZINC000002886071 563316762 /nfs/dbraw/zinc/31/67/62/563316762.db2.gz IYSAVTZFQIHJRB-CQSZACIVSA-N 0 0 311.425 4.834 50 0 DJAARN Cc1ccc([C@H](O)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000002895419 563317284 /nfs/dbraw/zinc/31/72/84/563317284.db2.gz JWYSXYSJUHOIBO-MRXNPFEDSA-N 0 0 314.362 4.524 50 0 DJAARN COc1ccc(OCCCCOc2c(C)cccc2C)cc1 ZINC000002904320 563317549 /nfs/dbraw/zinc/31/75/49/563317549.db2.gz OKDRJMQAFNVIIP-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN COc1cccc(OCCCCOc2ccc(Cl)c(C)c2)c1 ZINC000002904691 563317594 /nfs/dbraw/zinc/31/75/94/563317594.db2.gz HCTZIYIAIPCCMM-UHFFFAOYSA-N 0 0 320.816 4.895 50 0 DJAARN CCOc1cccc(OCCCOc2ccc(C)cc2C)c1 ZINC000002986803 563319184 /nfs/dbraw/zinc/31/91/84/563319184.db2.gz DFURYFSJMUOLIE-UHFFFAOYSA-N 0 0 300.398 4.550 50 0 DJAARN 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O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ccccc1 ZINC000032889950 563409135 /nfs/dbraw/zinc/40/91/35/563409135.db2.gz KYWVGHZRKHPFIN-INIZCTEOSA-N 0 0 320.219 4.971 50 0 DJAARN Cc1ccc(NC(=O)c2c(F)cccc2F)cc1C(F)(F)F ZINC000032902827 563410313 /nfs/dbraw/zinc/41/03/13/563410313.db2.gz KNXWFHGWZXJQOP-UHFFFAOYSA-N 0 0 315.241 4.544 50 0 DJAARN COc1ccc2c(C)c(-c3nc(-c4ccc(C)cc4)no3)oc2c1 ZINC000032913470 563411423 /nfs/dbraw/zinc/41/14/23/563411423.db2.gz GGWVLDMRBRANST-UHFFFAOYSA-N 0 0 320.348 4.775 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2cc[nH]c2c1 ZINC000032930044 563413656 /nfs/dbraw/zinc/41/36/56/563413656.db2.gz YZEHYEJZBCFLNJ-UHFFFAOYSA-N 0 0 305.164 4.727 50 0 DJAARN Fc1ccc(Oc2nc3ccccc3s2)c(Br)c1 ZINC000019806538 563416118 /nfs/dbraw/zinc/41/61/18/563416118.db2.gz RWEDUDDMPIYSBX-UHFFFAOYSA-N 0 0 324.174 4.990 50 0 DJAARN Cc1cccc(OCCSc2nnc(C3CCCCC3)o2)c1 ZINC000032945408 563418462 /nfs/dbraw/zinc/41/84/62/563418462.db2.gz LJDNWPSJYVJKAU-UHFFFAOYSA-N 0 0 318.442 4.597 50 0 DJAARN O=C1CCCCC[C@H]1Sc1nccn1-c1ccc(Cl)cc1 ZINC000026042529 563424317 /nfs/dbraw/zinc/42/43/17/563424317.db2.gz ZJCYCIFGEYXLBU-OAHLLOKOSA-N 0 0 320.845 4.520 50 0 DJAARN CCc1cc(C(=O)N(C)c2nc3ccccc3s2)sc1C ZINC000026962580 563427361 /nfs/dbraw/zinc/42/73/61/563427361.db2.gz JCZHFEBNCWDPTA-UHFFFAOYSA-N 0 0 316.451 4.505 50 0 DJAARN CC(=O)N1c2ccccc2SC=C1c1ccc(Cl)cc1 ZINC000027526347 563428149 /nfs/dbraw/zinc/42/81/49/563428149.db2.gz QKZIVPQWKPXUSJ-UHFFFAOYSA-N 0 0 301.798 4.797 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)no2)cc1C ZINC000027582464 563428847 /nfs/dbraw/zinc/42/88/47/563428847.db2.gz VKEAEXRDZBMSRI-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)no2)cc1 ZINC000027581368 563428865 /nfs/dbraw/zinc/42/88/65/563428865.db2.gz WCOIEMFHQGPLFQ-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN O=C(c1ccco1)N(Cc1cccs1)c1ccc(Cl)cc1 ZINC000027662896 563429254 /nfs/dbraw/zinc/42/92/54/563429254.db2.gz RJBRFZPISMXLSY-UHFFFAOYSA-N 0 0 317.797 4.842 50 0 DJAARN Cc1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000028195071 563430630 /nfs/dbraw/zinc/43/06/30/563430630.db2.gz QRLBMAMIUOBLHV-UHFFFAOYSA-N 0 0 322.339 4.574 50 0 DJAARN Cc1cc(-c2csc(C3CC3)n2)c(C)n1-c1nccs1 ZINC000028335024 563431534 /nfs/dbraw/zinc/43/15/34/563431534.db2.gz GUVYRVOGPHWFQR-UHFFFAOYSA-N 0 0 301.440 4.552 50 0 DJAARN CC(C)Cc1ccc([C@@H](C)c2n[nH]c(=S)n2C2CC2)cc1 ZINC000028295964 563431640 /nfs/dbraw/zinc/43/16/40/563431640.db2.gz OIOANPBLSGJLNJ-GFCCVEGCSA-N 0 0 301.459 4.626 50 0 DJAARN Cc1occc1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000030183284 563437079 /nfs/dbraw/zinc/43/70/79/563437079.db2.gz QPXSWSOZNPVZON-UHFFFAOYSA-N 0 0 301.411 4.875 50 0 DJAARN COc1cccc(-c2csc(Nc3cccc(F)c3)n2)c1 ZINC000072295205 563439956 /nfs/dbraw/zinc/43/99/56/563439956.db2.gz MZTGUOUAKCCATP-UHFFFAOYSA-N 0 0 300.358 4.701 50 0 DJAARN O=C1CS[C@@H](c2c(F)cccc2Cl)c2sccc2N1 ZINC000071283162 563445330 /nfs/dbraw/zinc/44/53/30/563445330.db2.gz CSWDAVXAXBXWCF-ZDUSSCGKSA-N 0 0 313.806 4.965 50 0 DJAARN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000000194771 563447065 /nfs/dbraw/zinc/44/70/65/563447065.db2.gz GKMUUHYWBISGJY-UHFFFAOYSA-N 0 0 320.392 4.573 50 0 DJAARN CC(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1Cl ZINC000001219082 563448164 /nfs/dbraw/zinc/44/81/64/563448164.db2.gz PVLQXWOYHBVPPZ-UHFFFAOYSA-N 0 0 314.772 4.723 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCCOc1cccc(Cl)c1 ZINC000002885589 563449922 /nfs/dbraw/zinc/44/99/22/563449922.db2.gz MGEFRCNKKVAZEF-UHFFFAOYSA-N 0 0 306.837 4.862 50 0 DJAARN Cc1cccc2nc(-c3ccc(O)cc3)c(Nc3ccccc3)n21 ZINC000035615759 563453433 /nfs/dbraw/zinc/45/34/33/563453433.db2.gz CKWXUBGNKXQTHP-UHFFFAOYSA-N 0 0 315.376 4.759 50 0 DJAARN C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000036323232 563454782 /nfs/dbraw/zinc/45/47/82/563454782.db2.gz RWBRUCCWZPSBFC-SZTFBZTMSA-N 0 0 316.485 4.515 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1C ZINC000036620327 563455504 /nfs/dbraw/zinc/45/55/04/563455504.db2.gz AMXRIJBZTUQRHY-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000036620644 563455778 /nfs/dbraw/zinc/45/57/78/563455778.db2.gz RZKYOPDPBNOEIR-LJQANCHMSA-N 0 0 324.424 4.763 50 0 DJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000036620452 563455897 /nfs/dbraw/zinc/45/58/97/563455897.db2.gz SJSWTPVZJISHTO-IBGZPJMESA-N 0 0 324.424 4.763 50 0 DJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000036620412 563455977 /nfs/dbraw/zinc/45/59/77/563455977.db2.gz NTYZGIAJDYPVEH-IBGZPJMESA-N 0 0 308.425 4.926 50 0 DJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000036621064 563455997 /nfs/dbraw/zinc/45/59/97/563455997.db2.gz WWCLMUGOEPYKOS-IBGZPJMESA-N 0 0 324.424 4.681 50 0 DJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000036621153 563456581 /nfs/dbraw/zinc/45/65/81/563456581.db2.gz BQDUINQYGYQIGW-SFHVURJKSA-N 0 0 312.388 4.757 50 0 DJAARN Fc1ccc(CNc2ccc(Br)cc2Cl)cc1 ZINC000037388801 563457984 /nfs/dbraw/zinc/45/79/84/563457984.db2.gz RHCHSOSZFLUHCH-UHFFFAOYSA-N 0 0 314.585 4.854 50 0 DJAARN CC(C)CC(=O)NCc1ccc(-c2nc(C(C)C)cs2)cc1 ZINC000097938132 563460578 /nfs/dbraw/zinc/46/05/78/563460578.db2.gz MCRRGPYBWZZIEO-UHFFFAOYSA-N 0 0 316.470 4.596 50 0 DJAARN Cc1nc2scc(-c3ccccc3)c2c(NCc2ccco2)n1 ZINC000033012162 563461863 /nfs/dbraw/zinc/46/18/63/563461863.db2.gz VCVAYSDQIHLPDY-UHFFFAOYSA-N 0 0 321.405 4.872 50 0 DJAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 ZINC000118917733 563466058 /nfs/dbraw/zinc/46/60/58/563466058.db2.gz HKZWMSPWKAUXGZ-MDRCSNFJSA-N 0 0 316.485 4.757 50 0 biogenic DJAARN O=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)C1CC1 ZINC000033036575 563469088 /nfs/dbraw/zinc/46/90/88/563469088.db2.gz IHIYNDCKDAAFRM-UHFFFAOYSA-N 0 0 310.784 4.837 50 0 DJAARN C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000013684288 563469138 /nfs/dbraw/zinc/46/91/38/563469138.db2.gz BCNWUSZGNAKVGY-BXKDBHETSA-N 0 0 317.285 4.859 50 0 DJAARN CC[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1ccccn1 ZINC000067513555 563487665 /nfs/dbraw/zinc/48/76/65/563487665.db2.gz JIGMMFSIFORONQ-LJQANCHMSA-N 0 0 316.404 4.630 50 0 DJAARN Cc1oc(-c2ccccc2Cl)nc1Cn1ccnc1C(C)C ZINC000067755033 563490555 /nfs/dbraw/zinc/49/05/55/563490555.db2.gz UDBZSEVTMQUMAV-UHFFFAOYSA-N 0 0 315.804 4.672 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)c1cccnc1-c1cccs1 ZINC000033139018 563497330 /nfs/dbraw/zinc/49/73/30/563497330.db2.gz OKHXFWRMZRFPCI-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN Fc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 ZINC000033255378 563502553 /nfs/dbraw/zinc/50/25/53/563502553.db2.gz BFEMUQNRSUCPIA-UHFFFAOYSA-N 0 0 323.371 4.533 50 0 DJAARN Cc1ccccc1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000033255362 563502577 /nfs/dbraw/zinc/50/25/77/563502577.db2.gz FCYGBEMLZWWDPZ-UHFFFAOYSA-N 0 0 319.408 4.702 50 0 DJAARN CC[C@@H](c1nc(C)c(C)s1)n1ccnc1-c1ccsc1 ZINC000077472312 563510955 /nfs/dbraw/zinc/51/09/55/563510955.db2.gz ZVQXGAPXRGASDE-ZDUSSCGKSA-N 0 0 303.456 4.684 50 0 DJAARN C[C@@H]1CC(C)(C)N(C(=O)Cc2ccc(F)cc2)c2ccccc21 ZINC000000048386 563512490 /nfs/dbraw/zinc/51/24/90/563512490.db2.gz MCPPMSTYMAKHSS-CQSZACIVSA-N 0 0 311.400 4.687 50 0 DJAARN O=C1NC(=S)SC1=Cc1ccc(SC(F)(F)F)cc1 ZINC000096926569 563513935 /nfs/dbraw/zinc/51/39/35/563513935.db2.gz CPMMUJVHNVFNRU-VMPITWQZSA-N 0 0 321.370 4.628 50 0 DJAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccco1 ZINC000000051979 563513945 /nfs/dbraw/zinc/51/39/45/563513945.db2.gz UGCFEPJREQWVKW-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN COc1ccc(C2=Nc3ccccc3N=C(C(F)(F)F)C2)cc1 ZINC000000060991 563515966 /nfs/dbraw/zinc/51/59/66/563515966.db2.gz QDVVEVBKWVCABU-UHFFFAOYSA-N 0 0 318.298 4.855 50 0 DJAARN Cc1ccccc1NC(=O)/C=C\c1c(Cl)cccc1Cl ZINC000033289560 563518392 /nfs/dbraw/zinc/51/83/92/563518392.db2.gz RGRVUKSVBKUQSD-KTKRTIGZSA-N 0 0 306.192 4.954 50 0 DJAARN Cc1[nH]c2c(sc(C)c2C(=O)Nc2ccc(C)c(F)c2)c1C ZINC000033280491 563518602 /nfs/dbraw/zinc/51/86/02/563518602.db2.gz QECGCLDDFCSJMT-UHFFFAOYSA-N 0 0 316.401 4.854 50 0 DJAARN CC(C)c1cc2c(c(C(C)C)c1)O[C@](C)(c1ccccc1)NC2=O ZINC000585152517 563522516 /nfs/dbraw/zinc/52/25/16/563522516.db2.gz WXLJHYCXJLPDHC-OAQYLSRUSA-N 0 0 323.436 4.929 50 0 DJAARN Cc1ccc(-c2nc3ccccc3c(N3CCC[C@H](C)C3)n2)cc1 ZINC000000080964 563524958 /nfs/dbraw/zinc/52/49/58/563524958.db2.gz LJZSJQRATDDPHQ-INIZCTEOSA-N 0 0 317.436 4.842 50 0 DJAARN Cc1cc([C@H]2CCCN2Cc2ccc(-c3ccco3)cc2)no1 ZINC000097076481 563537904 /nfs/dbraw/zinc/53/79/04/563537904.db2.gz SIPAWSXVXIPQNT-GOSISDBHSA-N 0 0 308.381 4.580 50 0 DJAARN Cc1ccc(-c2noc(-c3cn(C)c4ccccc34)n2)cc1C ZINC000098212045 563544671 /nfs/dbraw/zinc/54/46/71/563544671.db2.gz NIZBXUURANPKMT-UHFFFAOYSA-N 0 0 303.365 4.512 50 0 DJAARN CCCCCCOc1ccccc1C[C@H]1c2ccccc2NC1=O ZINC000101016633 563555677 /nfs/dbraw/zinc/55/56/77/563555677.db2.gz PCHAQBUCCIMRMV-SFHVURJKSA-N 0 0 323.436 4.924 50 0 DJAARN CC[C@H]1C(=O)[C@@H](CC)[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000101170124 563556806 /nfs/dbraw/zinc/55/68/06/563556806.db2.gz UWLZKFVZABBKHL-FGYAAKKASA-N 0 0 307.437 4.694 50 0 DJAARN CCn1c2ccccc2nc1SCCOc1ccccc1C ZINC000011667493 563561734 /nfs/dbraw/zinc/56/17/34/563561734.db2.gz DGGGUYHNOUNKAC-UHFFFAOYSA-N 0 0 312.438 4.536 50 0 DJAARN CCOc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000000110330 563570968 /nfs/dbraw/zinc/57/09/68/563570968.db2.gz PCQAZCQSJUPOBG-UHFFFAOYSA-N 0 0 300.741 4.512 50 0 biogenic DJAARN c1csc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)c1 ZINC000000115088 563571005 /nfs/dbraw/zinc/57/10/05/563571005.db2.gz OFEZFEKKERIMKE-OAHLLOKOSA-N 0 0 310.422 4.562 50 0 DJAARN Cc1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1 ZINC000000146032 563572469 /nfs/dbraw/zinc/57/24/69/563572469.db2.gz MHOPKKLOWVRALE-CMDGGOBGSA-N 0 0 306.192 4.954 50 0 DJAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(Cl)c(C)c2)cc1 ZINC000000144503 563573411 /nfs/dbraw/zinc/57/34/11/563573411.db2.gz VFNXSWZPCQXGDF-IZZDOVSWSA-N 0 0 316.784 4.666 50 0 DJAARN Cc1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1 ZINC000000175497 563574521 /nfs/dbraw/zinc/57/45/21/563574521.db2.gz NJWNHDQYCISHOQ-OUKQBFOZSA-N 0 0 320.417 4.770 50 0 DJAARN Cc1c(Cl)cccc1-n1ncnc1-c1ccccc1Cl ZINC000000180981 563575491 /nfs/dbraw/zinc/57/54/91/563575491.db2.gz QCCLZEKEGXMXOQ-UHFFFAOYSA-N 0 0 304.180 4.550 50 0 DJAARN Cc1ccc(-c2noc(COc3cc(C)cc(C)c3C)n2)cc1 ZINC000000199800 563577229 /nfs/dbraw/zinc/57/72/29/563577229.db2.gz SQJUNJPXBRELMA-UHFFFAOYSA-N 0 0 308.381 4.549 50 0 DJAARN CCc1cccc(NC(=S)N(C)c2ccccc2Cl)c1 ZINC000072332208 563577256 /nfs/dbraw/zinc/57/72/56/563577256.db2.gz DBIHMCQHWLIHJY-UHFFFAOYSA-N 0 0 304.846 4.736 50 0 DJAARN O=c1oc2c(cc(O)cc2-c2ccc(Cl)c(Cl)c2)s1 ZINC000000269616 563583580 /nfs/dbraw/zinc/58/35/80/563583580.db2.gz IUEZPTXQEWNYKD-UHFFFAOYSA-N 0 0 313.161 4.534 50 0 DJAARN Cc1cc(C)c(NC(=O)c2c(C)cc(Cl)nc2Cl)c(C)c1 ZINC000000269588 563583736 /nfs/dbraw/zinc/58/37/36/563583736.db2.gz GVWOZWOKZDIURH-UHFFFAOYSA-N 0 0 323.223 4.874 50 0 DJAARN O=C(/C=C/c1ccco1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000000277336 563584652 /nfs/dbraw/zinc/58/46/52/563584652.db2.gz ZGGPVBCLRHSYMI-CSKARUKUSA-N 0 0 301.345 4.503 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000000318843 563588332 /nfs/dbraw/zinc/58/83/32/563588332.db2.gz WAQNQJRMQOMHIR-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN CC(C)C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000000332739 563588646 /nfs/dbraw/zinc/58/86/46/563588646.db2.gz KLNRFEANOBVSAV-HNAYVOBHSA-N 0 0 308.425 4.621 50 0 DJAARN Cc1nc2sc3c(c2c(N2CCC(C)CC2)n1)CCCCC3 ZINC000000351706 563590259 /nfs/dbraw/zinc/59/02/59/563590259.db2.gz IIBCAQQOMNHSKC-UHFFFAOYSA-N 0 0 315.486 4.505 50 0 DJAARN CSc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000000382412 563591363 /nfs/dbraw/zinc/59/13/63/563591363.db2.gz UUXYWDPDLNZECP-IBGZPJMESA-N 0 0 321.449 4.861 50 0 DJAARN Cc1ccc(/C=C2/SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000033703286 563596160 /nfs/dbraw/zinc/59/61/60/563596160.db2.gz SXSXMLJFBHNYJC-OEQLELKQSA-N 0 0 322.433 4.668 50 0 DJAARN Cc1ccccc1[C@H]1CN=N[C@]12CCCc1ccccc1C2=O ZINC000033787369 563597013 /nfs/dbraw/zinc/59/70/13/563597013.db2.gz IXUDMFOFFNQZGS-UYAOXDASSA-N 0 0 304.393 4.502 50 0 DJAARN CC(=O)Nc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000005111879 563597442 /nfs/dbraw/zinc/59/74/42/563597442.db2.gz JNXROUXGFJNCPD-UHFFFAOYSA-N 0 0 310.180 4.531 50 0 DJAARN C[C@@H]1CCC[C@@]2(C=Cc3cc4c5c(c(=O)oc4cc3O2)CCC5)C1 ZINC000011867371 563600720 /nfs/dbraw/zinc/60/07/20/563600720.db2.gz VQJKAXZTEGCRCK-LRTDBIEQSA-N 0 0 322.404 4.636 50 0 DJAARN Cc1nc(Nc2ccc(OC(C)C)cc2)cc(-c2ccccc2)n1 ZINC000011907799 563601449 /nfs/dbraw/zinc/60/14/49/563601449.db2.gz MVGHTAACUUOKMN-UHFFFAOYSA-N 0 0 319.408 4.983 50 0 DJAARN Cc1ccccc1OC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011914832 563601668 /nfs/dbraw/zinc/60/16/68/563601668.db2.gz ZWRWSBNWYVGLKP-UHFFFAOYSA-N 0 0 313.740 4.523 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000011916713 563602386 /nfs/dbraw/zinc/60/23/86/563602386.db2.gz GPAJQPUMWYFGEW-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1 ZINC000011915210 563602393 /nfs/dbraw/zinc/60/23/93/563602393.db2.gz QCIMVNOPFPSORM-UHFFFAOYSA-N 0 0 313.447 4.965 50 0 DJAARN O=C1OC(C2CCCCC2)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000000332865 563607662 /nfs/dbraw/zinc/60/76/62/563607662.db2.gz JHQGVZCDJUXZIF-RIYZIHGNSA-N 0 0 324.207 4.870 50 0 DJAARN CCc1nc2ccccc2c(C(=O)Nc2cccc(C)c2)c1C ZINC000000411443 563611524 /nfs/dbraw/zinc/61/15/24/563611524.db2.gz JNBGAOFFUZXLKP-UHFFFAOYSA-N 0 0 304.393 4.666 50 0 DJAARN CCn1cc(SCC(=O)Nc2cccc(C)c2)c2ccccc21 ZINC000000425873 563613150 /nfs/dbraw/zinc/61/31/50/563613150.db2.gz YIGAQPVMNDKCNV-UHFFFAOYSA-N 0 0 324.449 4.700 50 0 DJAARN NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000001840572 563621458 /nfs/dbraw/zinc/62/14/58/563621458.db2.gz HRPJHCFSMLSLRI-UHFFFAOYSA-N 0 0 318.096 4.518 50 0 DJAARN O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)cc1 ZINC000003236171 563622221 /nfs/dbraw/zinc/62/22/21/563622221.db2.gz CUSJICIEAMFAIP-UHFFFAOYSA-N 0 0 311.381 4.710 50 0 DJAARN CCCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000005555652 563623690 /nfs/dbraw/zinc/62/36/90/563623690.db2.gz QNLJXPAPGPZYMC-UHFFFAOYSA-N 0 0 308.429 4.615 50 0 DJAARN Cc1ccc([C@H](OCC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000005600987 563624895 /nfs/dbraw/zinc/62/48/95/563624895.db2.gz ZIMMXYLZQHHFOC-OAQYLSRUSA-N 0 0 309.453 4.587 50 0 DJAARN C[C@H](CC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000006886537 563624917 /nfs/dbraw/zinc/62/49/17/563624917.db2.gz GZAQRDLRBQSZIZ-LLVKDONJSA-N 0 0 314.385 4.568 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)Oc1ccccc1 ZINC000000111382 563627767 /nfs/dbraw/zinc/62/77/67/563627767.db2.gz SDFGYYRGPITSQB-UHFFFAOYSA-N 0 0 315.678 4.970 50 0 DJAARN Cc1sc2ncnc(NCc3ccc(Cl)cc3)c2c1C ZINC000000144682 563628441 /nfs/dbraw/zinc/62/84/41/563628441.db2.gz BSILHIOLFDKKSP-UHFFFAOYSA-N 0 0 303.818 4.574 50 0 DJAARN O=C(c1cccc(Cl)c1)N(Cc1ccccc1)c1ccccn1 ZINC000000313562 563629203 /nfs/dbraw/zinc/62/92/03/563629203.db2.gz TYLWNGSLLXRCFU-UHFFFAOYSA-N 0 0 322.795 4.582 50 0 DJAARN O=C(c1ccccc1Cl)N(Cc1ccccc1)c1ccccn1 ZINC000000304708 563629447 /nfs/dbraw/zinc/62/94/47/563629447.db2.gz AAPLWAHQDBXZGZ-UHFFFAOYSA-N 0 0 322.795 4.582 50 0 DJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000000505808 563629854 /nfs/dbraw/zinc/62/98/54/563629854.db2.gz OFOQQXWOICEKKR-OAHLLOKOSA-N 0 0 311.425 4.834 50 0 DJAARN COc1ccccc1Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000000463901 563630656 /nfs/dbraw/zinc/63/06/56/563630656.db2.gz NUKXIIDLDCMPME-UHFFFAOYSA-N 0 0 319.360 4.740 50 0 DJAARN O=C(COc1ccc(Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000000475959 563630838 /nfs/dbraw/zinc/63/08/38/563630838.db2.gz YVZRFINNIQZJNW-UHFFFAOYSA-N 0 0 320.363 4.678 50 0 DJAARN C[C@H](N[P@](=O)(c1ccccc1)C(C)(C)C)c1ccccc1 ZINC000100489512 563631291 /nfs/dbraw/zinc/63/12/91/563631291.db2.gz RLBMIUWPBJMKRP-BTYIYWSLSA-N 0 0 301.370 4.739 50 0 DJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 ZINC000003151738 563638965 /nfs/dbraw/zinc/63/89/65/563638965.db2.gz VRCJKJGQPQQDSF-UHFFFAOYSA-N 0 0 312.800 4.783 50 0 DJAARN Cc1ccc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000000483336 563645359 /nfs/dbraw/zinc/64/53/59/563645359.db2.gz LSWHGVAPAOPZBD-CSKARUKUSA-N 0 0 308.406 4.565 50 0 DJAARN COc1cccc2cc(-c3cc(=O)oc4c(C)c(C)ccc34)oc21 ZINC000000491322 563649980 /nfs/dbraw/zinc/64/99/80/563649980.db2.gz ITJUHOHQPOSVHW-UHFFFAOYSA-N 0 0 320.344 4.832 50 0 biogenic DJAARN Clc1ccc(SCc2cn3cc(Cl)ccc3n2)cc1 ZINC000000501929 563653329 /nfs/dbraw/zinc/65/33/29/563653329.db2.gz ZEICBLKBJVWYRX-UHFFFAOYSA-N 0 0 309.221 4.933 50 0 DJAARN CCOc1ccc([C@H]2C(=O)c3ccccc3N[C@@]2(C)CC)cc1 ZINC000000506955 563656871 /nfs/dbraw/zinc/65/68/71/563656871.db2.gz CUITZSNUTQLARM-ICSRJNTNSA-N 0 0 309.409 4.646 50 0 DJAARN CCC[C@@H]1C[C@H](C)C(=O)N2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000000517853 563661996 /nfs/dbraw/zinc/66/19/96/563661996.db2.gz AMKZPZBZAJMOGE-PDSXEYIOSA-N 0 0 324.468 4.614 50 0 biogenic DJAARN Cc1noc2c1[C@H](c1ccsc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102736875 563662049 /nfs/dbraw/zinc/66/20/49/563662049.db2.gz RFEACGMCLNECHW-AWEZNQCLSA-N 0 0 314.410 4.895 50 0 DJAARN CC(C)c1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC000014115831 563665124 /nfs/dbraw/zinc/66/51/24/563665124.db2.gz RSCOJFYZPUPDLH-UHFFFAOYSA-N 0 0 309.196 4.764 50 0 DJAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@]5(CS5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000012657081 563665325 /nfs/dbraw/zinc/66/53/25/563665325.db2.gz GXTQNPGSFWVXDC-KXVWIRPWSA-N 0 0 320.542 4.876 50 0 biogenic DJAARN CC[C@H](C)n1c(-c2ccccc2F)nc2nc3ccccc3nc21 ZINC000000539329 563667655 /nfs/dbraw/zinc/66/76/55/563667655.db2.gz CKMSUKPGHHNIKV-LBPRGKRZSA-N 0 0 320.371 4.757 50 0 DJAARN CC(C)CCn1c(-c2cccs2)nc2nc3ccccc3nc21 ZINC000000540525 563668139 /nfs/dbraw/zinc/66/81/39/563668139.db2.gz VCZNWUQKAPGVPI-UHFFFAOYSA-N 0 0 322.437 4.754 50 0 DJAARN C[C@]1(c2ccccc2)Nc2ccccc2-c2nc3ccccc3n21 ZINC000000542689 563668218 /nfs/dbraw/zinc/66/82/18/563668218.db2.gz LQFKPVQRHTZUFB-NRFANRHFSA-N 0 0 311.388 4.850 50 0 DJAARN C[C@@H]1C[C@H]1c1ccc(CN[C@H](c2ccccc2)c2ccccn2)o1 ZINC000104696422 563674106 /nfs/dbraw/zinc/67/41/06/563674106.db2.gz JMZMXPXOOCUCRF-FQELHTAISA-N 0 0 318.420 4.677 50 0 DJAARN O=C(c1cccs1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000000573736 563674170 /nfs/dbraw/zinc/67/41/70/563674170.db2.gz JRTKHVXGZCNWFP-UHFFFAOYSA-N 0 0 317.413 4.982 50 0 DJAARN CC(C)c1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000044845689 563685661 /nfs/dbraw/zinc/68/56/61/563685661.db2.gz APUSJFGBPYJGLL-UHFFFAOYSA-N 0 0 302.805 4.785 50 0 DJAARN CCOc1ccccc1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000044844962 563685725 /nfs/dbraw/zinc/68/57/25/563685725.db2.gz XCFJRAJSCBZZOC-UHFFFAOYSA-N 0 0 304.777 4.691 50 0 DJAARN Cc1ccc(NC(=O)Nc2cccc(Br)c2)c(C)c1 ZINC000051354324 563690450 /nfs/dbraw/zinc/69/04/50/563690450.db2.gz OOVNDGMPYWPUEM-UHFFFAOYSA-N 0 0 319.202 4.710 50 0 DJAARN CCc1ccccc1NC(=O)Nc1cccc(Br)c1 ZINC000051354319 563690726 /nfs/dbraw/zinc/69/07/26/563690726.db2.gz RGTQSQBJOFYJQC-UHFFFAOYSA-N 0 0 319.202 4.656 50 0 DJAARN C[C@@H](SCc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000048381976 563697978 /nfs/dbraw/zinc/69/79/78/563697978.db2.gz FWFKXTRBJKWUQX-SECBINFHSA-N 0 0 320.285 4.530 50 0 DJAARN C[C@H](SCc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000048381974 563698342 /nfs/dbraw/zinc/69/83/42/563698342.db2.gz FWFKXTRBJKWUQX-VIFPVBQESA-N 0 0 320.285 4.530 50 0 DJAARN Cc1nc(CC(=O)Nc2ccccc2C)sc1-c1ccccc1 ZINC000007844779 563717781 /nfs/dbraw/zinc/71/77/81/563717781.db2.gz YRTQCPZTZJISJA-UHFFFAOYSA-N 0 0 322.433 4.608 50 0 DJAARN O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc(Cl)s1 ZINC000390830210 563719790 /nfs/dbraw/zinc/71/97/90/563719790.db2.gz JNKKQNYSODJBJM-UHFFFAOYSA-N 0 0 317.797 4.592 50 0 DJAARN Fc1ccccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000030824131 563722474 /nfs/dbraw/zinc/72/24/74/563722474.db2.gz SPZZRDRMVGFNFT-UHFFFAOYSA-N 0 0 309.127 4.850 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2cc1O ZINC000002880985 563727906 /nfs/dbraw/zinc/72/79/06/563727906.db2.gz ZWNWHLAATWRAED-UHFFFAOYSA-N 0 0 311.768 4.760 50 0 DJAARN Cc1nc(-c2cc(C(=O)Nc3cc(C)ccc3C)co2)cs1 ZINC000225535578 563757896 /nfs/dbraw/zinc/75/78/96/563757896.db2.gz LZYNIAROSNPQHZ-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN c1coc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000226982012 563769985 /nfs/dbraw/zinc/76/99/85/563769985.db2.gz WATHMQJGGGQOJJ-PXNSSMCTSA-N 0 0 316.360 4.522 50 0 DJAARN C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 ZINC000000001223 563774989 /nfs/dbraw/zinc/77/49/89/563774989.db2.gz WHPAGCJNPTUGGD-UHFFFAOYSA-N 0 0 310.784 4.635 50 0 in-man DJAARN CCc1ccc(CC)c(NC(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000241124281 563777545 /nfs/dbraw/zinc/77/75/45/563777545.db2.gz JGVYDCYQAZUGGB-IBGZPJMESA-N 0 0 323.440 4.575 50 0 DJAARN c1ncn(C2CCCCC2)c1CN1CCCC[C@@H]1c1ccccn1 ZINC000244594038 563779033 /nfs/dbraw/zinc/77/90/33/563779033.db2.gz DFLAMAVGQNMJCH-HXUWFJFHSA-N 0 0 324.472 4.511 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253611279 563785216 /nfs/dbraw/zinc/78/52/16/563785216.db2.gz MLNZCTSOJJGHSQ-YRIXBNQGSA-N 0 0 314.469 4.579 50 0 DJAARN Cc1cc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000000980092 563785557 /nfs/dbraw/zinc/78/55/57/563785557.db2.gz JIYPMXWPOPYHKM-UHFFFAOYSA-N 0 0 316.466 4.742 50 0 DJAARN Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)o1 ZINC000001001946 563786709 /nfs/dbraw/zinc/78/67/09/563786709.db2.gz GCSPOKKYLAKEHX-UHFFFAOYSA-N 0 0 307.349 4.941 50 0 DJAARN Cc1nnc(Nc2cc(OC(C)C)c(Cl)cc2Cl)s1 ZINC000001397923 563817994 /nfs/dbraw/zinc/81/79/94/563817994.db2.gz VIXNLUYUQBYWRC-UHFFFAOYSA-N 0 0 318.229 4.684 50 0 DJAARN CCOc1ccc(-c2cn3nc(C(CC)CC)sc3n2)cc1 ZINC000007995003 563795573 /nfs/dbraw/zinc/79/55/73/563795573.db2.gz NMKYIHDTFRHLTM-UHFFFAOYSA-N 0 0 315.442 4.760 50 0 DJAARN Cc1ccc(OCCCC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000001913971 563796637 /nfs/dbraw/zinc/79/66/37/563796637.db2.gz FTGUSIWDLCJYTP-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN Cc1cc(C)n(CCc2nc(-c3ccc(Cl)s3)cs2)n1 ZINC000003253430 563799973 /nfs/dbraw/zinc/79/99/73/563799973.db2.gz CTJOSTHJBJHOLA-UHFFFAOYSA-N 0 0 323.874 4.581 50 0 DJAARN O=C1/C(=C/c2cccc(O)c2)c2ccccc2N1c1ccccc1 ZINC000012548839 563800311 /nfs/dbraw/zinc/80/03/11/563800311.db2.gz QOZVEOOCIQOWHQ-XMHGGMMESA-N 0 0 313.356 4.611 50 0 DJAARN Cc1cc(F)ccc1N[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000003354691 563801400 /nfs/dbraw/zinc/80/14/00/563801400.db2.gz MTAXTCMTYSERDS-CQSZACIVSA-N 0 0 322.383 4.726 50 0 DJAARN COc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000003473583 563801739 /nfs/dbraw/zinc/80/17/39/563801739.db2.gz HUICWLJVJDFYEH-UHFFFAOYSA-N 0 0 317.388 4.538 50 0 DJAARN O=C(c1ccc(Cl)cc1)N(c1ccccn1)C1CCCCC1 ZINC000012600111 563802731 /nfs/dbraw/zinc/80/27/31/563802731.db2.gz OPMKPVGXFNAPBH-UHFFFAOYSA-N 0 0 314.816 4.715 50 0 DJAARN O=C(NC1(c2ccccc2)CCC1)c1cccc(Cl)c1Cl ZINC000012647919 563808371 /nfs/dbraw/zinc/80/83/71/563808371.db2.gz HKLGVGVFCBWGNV-UHFFFAOYSA-N 0 0 320.219 4.803 50 0 DJAARN O=C(Oc1ccc(Cl)cc1)c1cc(Cl)nc2ccccc21 ZINC000002766428 563809827 /nfs/dbraw/zinc/80/98/27/563809827.db2.gz CEHYEMSSYLFIQA-UHFFFAOYSA-N 0 0 318.159 4.761 50 0 DJAARN CC[C@H]1CN(C(=O)Nc2ccc(C)cc2)c2cc(C)ccc2O1 ZINC000001328853 563811427 /nfs/dbraw/zinc/81/14/27/563811427.db2.gz NYLHMPRJAHCONY-INIZCTEOSA-N 0 0 310.397 4.513 50 0 DJAARN Cc1ccc(C(C)N=Nc2cc(-c3ccccc3)nc(C)n2)cc1 ZINC000004595537 563813576 /nfs/dbraw/zinc/81/35/76/563813576.db2.gz CVIWDZNHLSWRTD-HZHRSRAPSA-N 0 0 316.408 4.597 50 0 DJAARN COC(=O)Nc1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001382892 563814513 /nfs/dbraw/zinc/81/45/13/563814513.db2.gz VGSODIGHLWDXET-UHFFFAOYSA-N 0 0 312.756 4.734 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497546 563814963 /nfs/dbraw/zinc/81/49/63/563814963.db2.gz AURFZBICLPNKBZ-LDGASQGZSA-N 0 0 318.501 4.595 50 0 in-vitro DJAARN CSc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000001386978 563814988 /nfs/dbraw/zinc/81/49/88/563814988.db2.gz GDHPKCBUVZZIIN-UHFFFAOYSA-N 0 0 320.336 4.508 50 0 DJAARN Cn1nc(Cl)c(Cl)c1Oc1ccc(Cl)cc1Cl ZINC000001387207 563815057 /nfs/dbraw/zinc/81/50/57/563815057.db2.gz ZSYZMSKUZLCGLX-UHFFFAOYSA-N 0 0 311.983 4.826 50 0 DJAARN Cc1cccc2sc(C(=O)Nc3ccncc3)c(Cl)c21 ZINC000012740874 563819254 /nfs/dbraw/zinc/81/92/54/563819254.db2.gz NZCZWMUSFXZHAU-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN Fc1ccc(Oc2cc(Cl)c(-c3ccccc3)nn2)cc1 ZINC000001406798 563819500 /nfs/dbraw/zinc/81/95/00/563819500.db2.gz MVECSHVVVDEMRT-UHFFFAOYSA-N 0 0 300.720 4.728 50 0 DJAARN Cc1c(Cl)cccc1Nc1ncnc2cc(Cl)ccc21 ZINC000001405653 563819522 /nfs/dbraw/zinc/81/95/22/563819522.db2.gz KLXFIAPGASPJIO-UHFFFAOYSA-N 0 0 304.180 4.989 50 0 DJAARN C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1ccc2ccccc2c1 ZINC000012749745 563822403 /nfs/dbraw/zinc/82/24/03/563822403.db2.gz JGQFKZDMRKZHJD-MRXNPFEDSA-N 0 0 317.432 4.995 50 0 DJAARN CN(C)c1ccc(Nc2nc(-c3cccs3)cs2)cc1 ZINC000001421773 563823189 /nfs/dbraw/zinc/82/31/89/563823189.db2.gz YMOZUBBSSWTYFJ-UHFFFAOYSA-N 0 0 301.440 4.681 50 0 DJAARN O=C1C(Nc2ccccc2)=C2CCCCC=C2N1c1ccccc1 ZINC000001422811 563823203 /nfs/dbraw/zinc/82/32/03/563823203.db2.gz VCVGCLBQDMBPQO-UHFFFAOYSA-N 0 0 316.404 4.857 50 0 DJAARN CSc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 ZINC000001430296 563823627 /nfs/dbraw/zinc/82/36/27/563823627.db2.gz MFEBOKGKJRSCDZ-IBGZPJMESA-N 0 0 321.449 4.861 50 0 DJAARN Cc1sc2ncnc(N3CCC[C@@H]3c3ccccc3C)c2c1C ZINC000084235513 563825474 /nfs/dbraw/zinc/82/54/74/563825474.db2.gz OLDIWDXVIVFNLO-MRXNPFEDSA-N 0 0 323.465 4.958 50 0 DJAARN C[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)ns1 ZINC000084656462 563828851 /nfs/dbraw/zinc/82/88/51/563828851.db2.gz GRDKOTUWJFHLDS-CQSZACIVSA-N 0 0 322.433 4.643 50 0 DJAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccsc1 ZINC000012781816 563830461 /nfs/dbraw/zinc/83/04/61/563830461.db2.gz WKVRQTGROORAEO-UHFFFAOYSA-N 0 0 319.389 4.544 50 0 DJAARN O=C(C[C@H]1C=CCC1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000012783804 563831457 /nfs/dbraw/zinc/83/14/57/563831457.db2.gz MKIWZDMIWUZJTJ-AWEZNQCLSA-N 0 0 317.392 4.525 50 0 DJAARN Cc1cc(SCc2nc3ccccc3[nH]2)nc2ccccc12 ZINC000011906266 563836182 /nfs/dbraw/zinc/83/61/82/563836182.db2.gz VGUGCGVZIFSRPF-UHFFFAOYSA-N 0 0 305.406 4.712 50 0 DJAARN COc1cc(C)c2c(c1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]21 ZINC000013467325 563840062 /nfs/dbraw/zinc/84/00/62/563840062.db2.gz LHXMMRGMJDCCPZ-JOTVOLILSA-N 0 0 314.469 4.611 50 0 DJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)Oc1ccccn1 ZINC000000397333 563846128 /nfs/dbraw/zinc/84/61/28/563846128.db2.gz GOHQMNGEYNSSFP-UHFFFAOYSA-N 0 0 317.559 4.653 50 0 DJAARN Cc1csc(-c2cc(N3CCCCC3)c3ccccc3n2)n1 ZINC000025695283 563848158 /nfs/dbraw/zinc/84/81/58/563848158.db2.gz BARGNXIQLVAEJF-UHFFFAOYSA-N 0 0 309.438 4.657 50 0 DJAARN C[Si](C)(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000169837818 563849466 /nfs/dbraw/zinc/84/94/66/563849466.db2.gz GQVCSXRUKCMUOO-GOSISDBHSA-N 0 0 312.485 4.681 50 0 DJAARN CCc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000012920513 563854373 /nfs/dbraw/zinc/85/43/73/563854373.db2.gz IGVKCNUQKKBGDI-UHFFFAOYSA-N 0 0 322.408 4.561 50 0 DJAARN C[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1F ZINC000075109292 563860091 /nfs/dbraw/zinc/86/00/91/563860091.db2.gz NJKLTPXVMFEMBV-BEFAXECRSA-N 0 0 311.400 4.511 50 0 DJAARN CC(C)(C)c1cc(NC(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000075260202 563862310 /nfs/dbraw/zinc/86/23/10/563862310.db2.gz ZCEHBAUFSOOQNL-UHFFFAOYSA-N 0 0 315.413 4.833 50 0 DJAARN O=C(NCc1ccc(-c2ccsc2)o1)c1ccccc1Cl ZINC000575609727 563865526 /nfs/dbraw/zinc/86/55/26/563865526.db2.gz FUDRCBXOFJXFQZ-UHFFFAOYSA-N 0 0 317.797 4.592 50 0 DJAARN O=C(NCc1ccc(-c2ccoc2)o1)c1cccc2ccccc21 ZINC000575610425 563865585 /nfs/dbraw/zinc/86/55/85/563865585.db2.gz MOAOZFYQGJAKPU-UHFFFAOYSA-N 0 0 317.344 4.623 50 0 DJAARN CC(C)(C)c1ccc(Cn2c(=O)cccc2-c2ccccc2)cc1 ZINC000001737764 563871352 /nfs/dbraw/zinc/87/13/52/563871352.db2.gz VGBCMDNZHWLFBC-UHFFFAOYSA-N 0 0 317.432 4.861 50 0 DJAARN Cc1ccc(C2=Nc3cc(F)ccc3N=C(c3ccccc3)N2)o1 ZINC000006743558 563871641 /nfs/dbraw/zinc/87/16/41/563871641.db2.gz IACKZJLUBNGKSS-UHFFFAOYSA-N 0 0 319.339 4.678 50 0 DJAARN CCCOc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000012975190 563872001 /nfs/dbraw/zinc/87/20/01/563872001.db2.gz CMXTVRGHAMUVDW-CQSZACIVSA-N 0 0 323.392 4.713 50 0 DJAARN Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 ZINC000014077411 563872329 /nfs/dbraw/zinc/87/23/29/563872329.db2.gz JAVYTDJEQONLGP-OUKQBFOZSA-N 0 0 304.345 4.874 50 0 DJAARN Cc1ccc(CNC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000013024142 563876794 /nfs/dbraw/zinc/87/67/94/563876794.db2.gz GYCDELFPMXNDGD-MRXNPFEDSA-N 0 0 318.420 4.709 50 0 DJAARN CCCCSc1nc2sc3c(c2c(N)n1)[C@@H](C)CCC3 ZINC000001797103 563878543 /nfs/dbraw/zinc/87/85/43/563878543.db2.gz OHWJJSKJYHUXHJ-VIFPVBQESA-N 0 0 307.488 4.606 50 0 DJAARN CCCCSc1nc2sc3c(c2c(N)n1)[C@H](C)CCC3 ZINC000001797101 563878628 /nfs/dbraw/zinc/87/86/28/563878628.db2.gz OHWJJSKJYHUXHJ-SECBINFHSA-N 0 0 307.488 4.606 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497616 563884396 /nfs/dbraw/zinc/88/43/96/563884396.db2.gz XMRPGKVKISIQBV-YRIXBNQGSA-N 0 0 316.485 4.803 50 0 DJAARN CC(N=Nc1ccccn1)c1cc2c(ccc3ccccc23)o1 ZINC000252474391 563885344 /nfs/dbraw/zinc/88/53/44/563885344.db2.gz CMEXSPRGDKKTJO-UHFFFAOYSA-N 0 0 301.349 4.817 50 0 DJAARN Clc1cccc(Cn2c3ccccc3nc2-c2ccco2)c1 ZINC000001926930 563885961 /nfs/dbraw/zinc/88/59/61/563885961.db2.gz XPARFCFRJFVSSB-UHFFFAOYSA-N 0 0 308.768 4.998 50 0 DJAARN CCc1cc(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 ZINC000000095252 563886562 /nfs/dbraw/zinc/88/65/62/563886562.db2.gz SHAPNABEVNFWMP-UHFFFAOYSA-N 0 0 308.308 4.908 50 0 biogenic DJAARN CCc1cc(-c2onc(C)c2-c2ccccc2)c(O)cc1OC ZINC000000407288 563886911 /nfs/dbraw/zinc/88/69/11/563886911.db2.gz GEHDMJSLHWEEGE-UHFFFAOYSA-N 0 0 309.365 4.594 50 0 biogenic DJAARN C[C@H](Oc1ccc2ccccc2c1)c1nnc([C@@H]2CCCCO2)o1 ZINC000521393870 563887693 /nfs/dbraw/zinc/88/76/93/563887693.db2.gz BNUXJIBEMKRKBI-GUYCJALGSA-N 0 0 324.380 4.604 50 0 DJAARN Cc1cc(-c2cccc(C(F)(F)F)c2)ncc1Br ZINC000536952676 563889778 /nfs/dbraw/zinc/88/97/78/563889778.db2.gz GGZGOPYCIFZRIW-UHFFFAOYSA-N 0 0 316.120 4.838 50 0 DJAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000006839911 563896472 /nfs/dbraw/zinc/89/64/72/563896472.db2.gz LFBGAMANKMGEKQ-PBHICJAKSA-N 0 0 321.420 4.619 50 0 DJAARN CC[C@@H]1CN(C(=O)Nc2cc(C)cc(C)c2)c2cc(C)ccc2O1 ZINC000006843129 563896711 /nfs/dbraw/zinc/89/67/11/563896711.db2.gz YMKQJOUNBQZXRF-QGZVFWFLSA-N 0 0 324.424 4.821 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2C[C@@H](C)Sc3ccccc32)c1 ZINC000006876900 563897836 /nfs/dbraw/zinc/89/78/36/563897836.db2.gz NELLNFNYZLGLKU-CQSZACIVSA-N 0 0 312.438 4.836 50 0 DJAARN C[C@H]1CN(C(=O)Nc2ccccc2Cl)c2ccccc2S1 ZINC000006876890 563897891 /nfs/dbraw/zinc/89/78/91/563897891.db2.gz NHJOZKOMXBQJIL-NSHDSACASA-N 0 0 318.829 4.873 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2C[C@H](C)Sc3ccccc32)c1 ZINC000006876899 563898042 /nfs/dbraw/zinc/89/80/42/563898042.db2.gz NELLNFNYZLGLKU-AWEZNQCLSA-N 0 0 312.438 4.836 50 0 DJAARN Cc1ccc(NC(=O)c2cc3cn(C4CC4)cc3s2)c(C)c1 ZINC000065285576 563902240 /nfs/dbraw/zinc/90/22/40/563902240.db2.gz MOXMOOCSWHDCKM-UHFFFAOYSA-N 0 0 310.422 4.907 50 0 DJAARN CCc1ccc(-c2nc(C(=O)Oc3ccccc3)cs2)cc1 ZINC000007061595 563902272 /nfs/dbraw/zinc/90/22/72/563902272.db2.gz LOKRMVXGWPKFTB-UHFFFAOYSA-N 0 0 309.390 4.592 50 0 DJAARN O=C(c1cc2cn(C3CCCC3)cc2s1)N1CCCCCC1 ZINC000065285823 563902320 /nfs/dbraw/zinc/90/23/20/563902320.db2.gz ZOWHUEOXDYJQBR-UHFFFAOYSA-N 0 0 316.470 4.834 50 0 DJAARN Cc1cc(C(=O)Nc2ccccc2OC(F)(F)F)c(C)s1 ZINC000036883282 563904953 /nfs/dbraw/zinc/90/49/53/563904953.db2.gz ATYQVBQTIOFIRY-UHFFFAOYSA-N 0 0 315.316 4.516 50 0 DJAARN C[C@H](NC(=O)c1cc2c(cccc2F)s1)c1cccs1 ZINC000010220022 563909308 /nfs/dbraw/zinc/90/93/08/563909308.db2.gz YLAAUUUDDBGCPH-VIFPVBQESA-N 0 0 305.399 4.593 50 0 DJAARN Clc1ccc(CCNc2ncnc3ccc(Cl)cc32)cc1 ZINC000013476440 563909750 /nfs/dbraw/zinc/90/97/50/563909750.db2.gz AOWWUEORXDGINB-UHFFFAOYSA-N 0 0 318.207 4.591 50 0 DJAARN CCc1ccccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000013744567 563909864 /nfs/dbraw/zinc/90/98/64/563909864.db2.gz KVOAXUSXTHQMHT-SNVBAGLBSA-N 0 0 308.834 4.847 50 0 DJAARN Cc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c1C ZINC000013744531 563909876 /nfs/dbraw/zinc/90/98/76/563909876.db2.gz NMEGEXLWFJJHLC-NSHDSACASA-N 0 0 308.834 4.901 50 0 DJAARN Cc1cc(C(=O)Nc2cccc(Cl)c2C)c2ccccc2n1 ZINC000014495335 563910647 /nfs/dbraw/zinc/91/06/47/563910647.db2.gz XUPQPOGLOALTNK-UHFFFAOYSA-N 0 0 310.784 4.757 50 0 DJAARN Cc1ccsc1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014424917 563910667 /nfs/dbraw/zinc/91/06/67/563910667.db2.gz AUYKXECWGHUBSU-VIFPVBQESA-N 0 0 314.237 4.854 50 0 DJAARN CC[C@@H](Cc1ccccc1)NC(=O)c1cccc2ccccc21 ZINC000002876817 563913039 /nfs/dbraw/zinc/91/30/39/563913039.db2.gz AETVWJKKLVHJNG-SFHVURJKSA-N 0 0 303.405 4.591 50 0 DJAARN O=C(OCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002872434 563913117 /nfs/dbraw/zinc/91/31/17/563913117.db2.gz WCGTXJMIDPSQND-UHFFFAOYSA-N 0 0 306.336 4.850 50 0 DJAARN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000001691180 563913992 /nfs/dbraw/zinc/91/39/92/563913992.db2.gz PGZCJOPTDHWYES-HMXCVIKNSA-N 0 0 314.469 4.993 50 0 biogenic,in-vitro DJAARN CCCCCC[C@@H]1OC[C@]2(COC(C)=O)[C@H](C)C=C(C)[C@H]1[C@@H]2C ZINC000002139361 563915491 /nfs/dbraw/zinc/91/54/91/563915491.db2.gz AJARVPVQKHTUGJ-XIHRTOKZSA-N 0 0 322.489 4.753 50 0 biogenic DJAARN CCCCOCC[S@@](=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000170643323 563915582 /nfs/dbraw/zinc/91/55/82/563915582.db2.gz DYWSEKPJMSFBLR-JEOXALJRSA-N 0 0 323.285 4.620 50 0 DJAARN CCCCOCC[S@](=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000170643324 563915618 /nfs/dbraw/zinc/91/56/18/563915618.db2.gz DYWSEKPJMSFBLR-WLRWDXFRSA-N 0 0 323.285 4.620 50 0 DJAARN CCCCOCC[S@@](=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000170643325 563915662 /nfs/dbraw/zinc/91/56/62/563915662.db2.gz DYWSEKPJMSFBLR-NSPYISDASA-N 0 0 323.285 4.620 50 0 DJAARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)N2c2ccccc2)cc1 ZINC000003080716 563915766 /nfs/dbraw/zinc/91/57/66/563915766.db2.gz LQPKQQKHZLSPNJ-ZOAFEQKISA-N 0 0 313.400 4.808 50 0 DJAARN Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C ZINC000007638200 563917480 /nfs/dbraw/zinc/91/74/80/563917480.db2.gz BFGYLLBRDZFONT-UHFFFAOYSA-N 0 0 307.315 4.503 50 0 DJAARN COc1ccc(OC)c(-c2csc(-c3cccs3)n2)c1 ZINC000007643890 563917670 /nfs/dbraw/zinc/91/76/70/563917670.db2.gz XXSLFVZJSHLENO-UHFFFAOYSA-N 0 0 303.408 4.556 50 0 DJAARN Cc1ccc([C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000007686011 563917839 /nfs/dbraw/zinc/91/78/39/563917839.db2.gz IUPSZRQLPKJUKR-FQEVSTJZSA-N 0 0 301.389 4.514 50 0 DJAARN Cc1cc2nc(Oc3cc(C)ccc3Cl)c3ccccc3n2n1 ZINC000007737787 563918551 /nfs/dbraw/zinc/91/85/51/563918551.db2.gz YGTOKQHIVXXIGU-UHFFFAOYSA-N 0 0 323.783 4.945 50 0 DJAARN Cc1cc2nc(Nc3cccc(Cl)c3)c3ccccc3n2n1 ZINC000007737811 563918711 /nfs/dbraw/zinc/91/87/11/563918711.db2.gz JCPDINPFZXAEJZ-UHFFFAOYSA-N 0 0 308.772 4.588 50 0 DJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(C)c1 ZINC000007756407 563918718 /nfs/dbraw/zinc/91/87/18/563918718.db2.gz SVWAUYZTHAYCIP-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN Cc1ccccc1COc1ccc(-c2noc(C(C)C)n2)cc1 ZINC000037553337 563918737 /nfs/dbraw/zinc/91/87/37/563918737.db2.gz DQWWUJIIUOOCHG-UHFFFAOYSA-N 0 0 308.381 4.747 50 0 DJAARN Cc1cccc2c(C)cc(SCc3ncc(Cl)n3C)nc12 ZINC000007781404 563919269 /nfs/dbraw/zinc/91/92/69/563919269.db2.gz RENDODAKOFVQNP-UHFFFAOYSA-N 0 0 317.845 4.531 50 0 DJAARN CC(C)(C)[C@@H](NC(=S)NC1CCCCC1)c1cccs1 ZINC000066007297 563919372 /nfs/dbraw/zinc/91/93/72/563919372.db2.gz YIQBGIHUORZEKT-AWEZNQCLSA-N 0 0 310.532 4.632 50 0 DJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)C1CCC1 ZINC000007794051 563919481 /nfs/dbraw/zinc/91/94/81/563919481.db2.gz AVQOLJPIYWPHCI-UHFFFAOYSA-N 0 0 308.406 4.702 50 0 DJAARN CCCCn1nc(C)c(C(=O)Nc2ccc(C)c(C)c2)c1Cl ZINC000007915158 563920639 /nfs/dbraw/zinc/92/06/39/563920639.db2.gz MAYXBNXHGNRILD-UHFFFAOYSA-N 0 0 319.836 4.514 50 0 DJAARN Cc1ccc(F)cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000007920152 563920904 /nfs/dbraw/zinc/92/09/04/563920904.db2.gz DCAADXBHQAUZQP-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN c1ccc(C2=N[C@H](C3CCCCC3)N3[C@@H]2[C@H]3c2ccccc2)cc1 ZINC000025586453 563923768 /nfs/dbraw/zinc/92/37/68/563923768.db2.gz DGQMTTFLMATLGQ-PQSRQHIVSA-N 0 0 316.448 4.821 50 0 DJAARN CCCCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21 ZINC000002290355 563925586 /nfs/dbraw/zinc/92/55/86/563925586.db2.gz JVXVSZGZSJIAAN-UHFFFAOYSA-N 0 0 307.393 5.000 50 0 DJAARN CCCCC(=O)c1ccc(CCc2ccc(O)cc2OC)cc1 ZINC000261361178 563929429 /nfs/dbraw/zinc/92/94/29/563929429.db2.gz XRSLKEPLQJYMLW-UHFFFAOYSA-N 0 0 312.409 4.559 50 0 DJAARN O=C(NC1(c2cccs2)CCCC1)c1ccccc1Cl ZINC000390827758 563930812 /nfs/dbraw/zinc/93/08/12/563930812.db2.gz JXRUMBNNULNSKU-UHFFFAOYSA-N 0 0 305.830 4.601 50 0 DJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC1CCCC1 ZINC000095348958 563931228 /nfs/dbraw/zinc/93/12/28/563931228.db2.gz CTCRBNAPTLQUFS-UHFFFAOYSA-N 0 0 323.751 4.542 50 0 DJAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1ccccc1Cl ZINC000021051132 563932036 /nfs/dbraw/zinc/93/20/36/563932036.db2.gz OLVPCQUPSNTXDW-INIZCTEOSA-N 0 0 317.820 4.530 50 0 DJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@@H](C)C(C)(C)C ZINC000095958726 563932335 /nfs/dbraw/zinc/93/23/35/563932335.db2.gz RBJGIWVBFVKJSF-OLZOCXBDSA-N 0 0 302.418 4.570 50 0 DJAARN FC(F)(F)[C@H]1CCC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000095955908 563932345 /nfs/dbraw/zinc/93/23/45/563932345.db2.gz HQZVEIMQNVHAMM-IUCAKERBSA-N 0 0 302.321 4.634 50 0 DJAARN FC(F)(F)[C@@H]1CCC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000095955909 563932351 /nfs/dbraw/zinc/93/23/51/563932351.db2.gz HQZVEIMQNVHAMM-RKDXNWHRSA-N 0 0 302.321 4.634 50 0 DJAARN CCc1nnc(CS[C@@H](c2ccccc2)c2ccccc2C)o1 ZINC000095965630 563932639 /nfs/dbraw/zinc/93/26/39/563932639.db2.gz SMVLWPKBNOQXMM-IBGZPJMESA-N 0 0 324.449 4.963 50 0 DJAARN Cc1nnc(CS[C@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000095965656 563932761 /nfs/dbraw/zinc/93/27/61/563932761.db2.gz AWUFDOGFWALVBT-QGZVFWFLSA-N 0 0 314.385 4.540 50 0 DJAARN CC(C)Cc1nnc([C@@H](C)Sc2cccc3cccnc32)o1 ZINC000095971538 563933537 /nfs/dbraw/zinc/93/35/37/563933537.db2.gz RPSNWKSFSXAMHY-GFCCVEGCSA-N 0 0 313.426 4.670 50 0 DJAARN CC(C)n1ccc2cc(C(=O)Nc3ccc4cc[nH]c4c3)ccc21 ZINC000096231532 563935973 /nfs/dbraw/zinc/93/59/73/563935973.db2.gz YGTORZYSZMIWII-UHFFFAOYSA-N 0 0 317.392 4.956 50 0 DJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)C1CCCCC1)N1CCCC1 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ZINC000083079973 185212803 /nfs/dbraw/zinc/21/28/03/185212803.db2.gz OGRLYZAUHWZPIH-YUNKPMOVSA-N 0 0 310.821 4.532 50 0 DJAARN C[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000096920666 185391603 /nfs/dbraw/zinc/39/16/03/185391603.db2.gz MVMNSYDQUOYKPR-KMSCOEIWSA-N 0 0 317.841 4.561 50 0 DJAARN O=C(/C=C\c1sc2ccccc2c1Cl)Nc1ccccn1 ZINC000096924975 185391855 /nfs/dbraw/zinc/39/18/55/185391855.db2.gz ZPIJDYGWKPRVHU-HJWRWDBZSA-N 0 0 314.797 4.602 50 0 DJAARN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1cscn1 ZINC000089960702 185271918 /nfs/dbraw/zinc/27/19/18/185271918.db2.gz SKVVXZDHJKWBRU-UHFFFAOYSA-N 0 0 311.332 4.589 50 0 DJAARN CCCc1ccc(-c2ccc(I)cc2)cc1 ZINC000082046894 192353075 /nfs/dbraw/zinc/35/30/75/192353075.db2.gz MKDLYSABBHXXSV-UHFFFAOYSA-N 0 0 322.189 4.911 50 0 DJAARN O=C(Nc1cccs1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612227 185306741 /nfs/dbraw/zinc/30/67/41/185306741.db2.gz ZGPJCCXKTGSPNQ-UHFFFAOYSA-N 0 0 318.423 4.637 50 0 DJAARN Cc1c2cc(F)ccc2oc1-c1cc(=O)oc2cc(C)ccc21 ZINC000000489918 190614622 /nfs/dbraw/zinc/61/46/22/190614622.db2.gz WQFZYPGEJNINJU-UHFFFAOYSA-N 0 0 308.308 4.962 50 0 biogenic DJAARN COc1cccc(-c2coc3cc4oc(=O)cc(C)c4cc32)c1 ZINC000000488928 190614886 /nfs/dbraw/zinc/61/48/86/190614886.db2.gz YEQDNFMYZJPKJA-UHFFFAOYSA-N 0 0 306.317 4.523 50 0 biogenic DJAARN Fc1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000000618930 190615662 /nfs/dbraw/zinc/61/56/62/190615662.db2.gz ZMRMPIRFOVPDML-UHFFFAOYSA-N 0 0 315.200 4.941 50 0 DJAARN CCc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003086032 190617438 /nfs/dbraw/zinc/61/74/38/190617438.db2.gz NXTLXZOQNOWHPH-UHFFFAOYSA-N 0 0 308.303 4.912 50 0 DJAARN CC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000000094248 190611006 /nfs/dbraw/zinc/61/10/06/190611006.db2.gz LQIKMZRBUIIRTO-HNNXBMFYSA-N 0 0 307.315 4.838 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 ZINC000000136932 190612414 /nfs/dbraw/zinc/61/24/14/190612414.db2.gz XEJHPBSWROMXQN-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN O=C(c1ccc(F)cc1)c1ccc(OCc2cccc(F)c2)cc1 ZINC000006862349 190624750 /nfs/dbraw/zinc/62/47/50/190624750.db2.gz HIQNIJAJHLEGRA-UHFFFAOYSA-N 0 0 324.326 4.775 50 0 DJAARN Clc1ccc(OCCCCn2cnc3ccccc32)cc1 ZINC000012360484 190636373 /nfs/dbraw/zinc/63/63/73/190636373.db2.gz XIVUATKMDIVNTH-UHFFFAOYSA-N 0 0 300.789 4.549 50 0 DJAARN O=C(/C=C\c1cccs1)Nc1cccc(OC2CCCC2)c1 ZINC000097004789 185396360 /nfs/dbraw/zinc/39/63/60/185396360.db2.gz ASGMLMFSSYAFHX-KHPPLWFESA-N 0 0 313.422 4.721 50 0 DJAARN C[C@@H](N[C@@H](C)c1ccccc1Oc1ccccc1)c1cnccn1 ZINC000095421568 185360604 /nfs/dbraw/zinc/36/06/04/185360604.db2.gz PZOJFRRUKHULCW-JKSUJKDBSA-N 0 0 319.408 4.681 50 0 DJAARN Cc1cnc([C@H](N[C@@H](C)c2ccc3ccccc3n2)C2CC2)s1 ZINC000095423349 185361128 /nfs/dbraw/zinc/36/11/28/185361128.db2.gz SKIIBWGHWYLFPX-SCLBCKFNSA-N 0 0 323.465 4.802 50 0 DJAARN CC(C)(C)c1cnc(COc2ccc(-c3ccccc3)nc2)o1 ZINC000095455641 185370017 /nfs/dbraw/zinc/37/00/17/185370017.db2.gz ARQMUUOLWRDGBP-UHFFFAOYSA-N 0 0 308.381 4.613 50 0 DJAARN Cc1ccc(-c2nc(-c3c[nH]c4ncccc34)cs2)c(C)c1 ZINC000095462132 185371001 /nfs/dbraw/zinc/37/10/01/185371001.db2.gz ISIAMAJVNHKYDU-UHFFFAOYSA-N 0 0 305.406 4.970 50 0 DJAARN C[C@@H](c1ccc(C(F)(F)F)cc1)[S@@](=O)c1cccc(F)c1 ZINC000097013256 185396962 /nfs/dbraw/zinc/39/69/62/185396962.db2.gz KLQKMNQTEWPKRH-CWKPULSASA-N 0 0 316.319 4.713 50 0 DJAARN CC1(C)CC(=O)C2C(=Nc3cccnc3N[C@H]2c2ccco2)C1 ZINC000102758414 185420288 /nfs/dbraw/zinc/42/02/88/185420288.db2.gz YOOVNBHQVSYBHJ-INIZCTEOSA-N 0 0 309.369 4.546 50 0 DJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(OC(F)F)c2C)C1(C)C ZINC000058341490 190691446 /nfs/dbraw/zinc/69/14/46/190691446.db2.gz MONOWMWXQYMZEV-WFASDCNBSA-N 0 0 323.383 4.773 50 0 DJAARN COc1c2ccc(Cl)cc2sc1C(=O)NC1CCCCC1 ZINC000064756731 190703951 /nfs/dbraw/zinc/70/39/51/190703951.db2.gz WRFYFVONMULRJG-UHFFFAOYSA-N 0 0 323.845 4.626 50 0 DJAARN COc1c2cc(Cl)ccc2sc1C(=O)Nc1ccccc1 ZINC000064756640 190704259 /nfs/dbraw/zinc/70/42/59/190704259.db2.gz GQBQIUYRWYQLCK-UHFFFAOYSA-N 0 0 317.797 4.816 50 0 DJAARN O=C1CSC2(CCCCC2)N1c1ccc(Cl)c(Cl)c1 ZINC000226762065 201786418 /nfs/dbraw/zinc/78/64/18/201786418.db2.gz IMFPZRXSEFNXMB-UHFFFAOYSA-N 0 0 316.253 4.734 50 0 DJAARN Cc1nc(-c2cccc(C(=O)Nc3ccccc3C)c2)cs1 ZINC000170643151 197798765 /nfs/dbraw/zinc/79/87/65/197798765.db2.gz MGVONOFCWFVYQH-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN C[C@@H](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000070040775 190853182 /nfs/dbraw/zinc/85/31/82/190853182.db2.gz SXBLAEJDSFMTSR-HRAATJIYSA-N 0 0 319.448 4.597 50 0 DJAARN O=C1C[C@@H](c2cccc(Cl)c2)c2cnn(C3CCCC3)c2N1 ZINC000071283026 190952719 /nfs/dbraw/zinc/95/27/19/190952719.db2.gz QSEVYEVVUFDQAT-AWEZNQCLSA-N 0 0 315.804 4.775 50 0 DJAARN Cc1cccc(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000072240695 191084008 /nfs/dbraw/zinc/08/40/08/191084008.db2.gz QIVZWLFFZSDXIH-UHFFFAOYSA-N 0 0 303.287 4.701 50 0 DJAARN Cc1ccc(-c2nnc([C@H](C)Oc3ccccc3Cl)o2)cc1 ZINC000072298451 191112830 /nfs/dbraw/zinc/11/28/30/191112830.db2.gz KHBACVDDJOXOOY-LBPRGKRZSA-N 0 0 314.772 4.838 50 0 DJAARN O=C(CCc1cccc(Cl)c1)N(Cc1ccsc1)C1CC1 ZINC000225617481 186283671 /nfs/dbraw/zinc/28/36/71/186283671.db2.gz IMBNKKBWWUJVST-UHFFFAOYSA-N 0 0 319.857 4.525 50 0 DJAARN c1sc(N2CC[C@H](c3ccccc3)C2)nc1-c1ccccc1 ZINC000000038354 180674923 /nfs/dbraw/zinc/67/49/23/180674923.db2.gz PEQBRYRVRYBHLM-KRWDZBQOSA-N 0 0 306.434 4.804 50 0 DJAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000000045267 180676599 /nfs/dbraw/zinc/67/65/99/180676599.db2.gz RHDNKNVNMHTZRE-JQWIXIFHSA-N 0 0 318.631 4.870 50 0 DJAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1(c2ccccc2)CC1 ZINC000000054348 180679521 /nfs/dbraw/zinc/67/95/21/180679521.db2.gz HELFZFKKICCTDI-UHFFFAOYSA-N 0 0 320.314 4.516 50 0 DJAARN Cc1cc(C)cc(Oc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000074048 180684514 /nfs/dbraw/zinc/68/45/14/180684514.db2.gz FFWQDDQHTPTQFF-UHFFFAOYSA-N 0 0 310.422 4.979 50 0 DJAARN Nc1cnc(Oc2c(Cl)cccc2Cl)c(C(F)(F)F)c1 ZINC000000078342 180685509 /nfs/dbraw/zinc/68/55/09/180685509.db2.gz SHAOBOYFSIBHML-UHFFFAOYSA-N 0 0 323.101 4.782 50 0 DJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1 ZINC000000092245 180689993 /nfs/dbraw/zinc/68/99/93/180689993.db2.gz WTBLIDVCCVDAKH-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000000091310 180690059 /nfs/dbraw/zinc/69/00/59/180690059.db2.gz LGCBUDDJLFRKAY-XHDPSFHLSA-N 0 0 303.789 4.628 50 0 DJAARN O=C(Nc1nc2ccccc2s1)c1cccc(Cl)c1Cl ZINC000000097652 180691074 /nfs/dbraw/zinc/69/10/74/180691074.db2.gz FGKJKMVSFCIGNK-UHFFFAOYSA-N 0 0 323.204 4.855 50 0 DJAARN COc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000097474 180691465 /nfs/dbraw/zinc/69/14/65/180691465.db2.gz UBOCAYYVDQXXCU-UHFFFAOYSA-N 0 0 317.797 4.816 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000000126095 180701093 /nfs/dbraw/zinc/70/10/93/180701093.db2.gz PQEMVWNERIBJJT-UHFFFAOYSA-N 0 0 310.422 4.846 50 0 DJAARN Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000000125548 180701174 /nfs/dbraw/zinc/70/11/74/180701174.db2.gz VGAWGBXLFIJXJV-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000122933 180699973 /nfs/dbraw/zinc/69/99/73/180699973.db2.gz NFEUTOJRUZZNQS-UHFFFAOYSA-N 0 0 303.287 4.701 50 0 DJAARN O=C1C[C@H](c2ccc(Cl)cc2)c2ccc3ccccc3c2N1 ZINC000000123958 180700482 /nfs/dbraw/zinc/70/04/82/180700482.db2.gz CCGCSRGGLHBPJP-QGZVFWFLSA-N 0 0 307.780 4.967 50 0 DJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 ZINC000000127918 180701718 /nfs/dbraw/zinc/70/17/18/180701718.db2.gz XZEFVXXWWCJKHI-UHFFFAOYSA-N 0 0 323.192 4.570 50 0 DJAARN CC(C)c1ccccc1OCC(=O)Nc1cccc2ccccc21 ZINC000000133497 180703985 /nfs/dbraw/zinc/70/39/85/180703985.db2.gz TVSLYLOPYVKIMQ-UHFFFAOYSA-N 0 0 319.404 4.981 50 0 DJAARN O=C1C[C@@H](c2ccc(Cl)cc2)Sc2nc3ccccc3n21 ZINC000000167076 180712643 /nfs/dbraw/zinc/71/26/43/180712643.db2.gz HBDRRQXKGOLUMG-AWEZNQCLSA-N 0 0 314.797 4.567 50 0 DJAARN Cn1c2ccccc2c(C=O)c1Sc1ccccc1Cl ZINC000000168710 180713549 /nfs/dbraw/zinc/71/35/49/180713549.db2.gz MGZXUABYVOFCOV-UHFFFAOYSA-N 0 0 301.798 4.795 50 0 DJAARN CC1=CC(C)(C)Nc2ccc(OC(=O)NC3CCCCC3)cc21 ZINC000000169777 180714169 /nfs/dbraw/zinc/71/41/69/180714169.db2.gz DXICXPWESAKUNL-UHFFFAOYSA-N 0 0 314.429 4.715 50 0 DJAARN FC(F)Sc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 ZINC000000192091 180721064 /nfs/dbraw/zinc/72/10/64/180721064.db2.gz ZOJRRMGAWOGWPT-UHFFFAOYSA-N 0 0 310.756 4.969 50 0 DJAARN CCCn1c2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000000196410 180722546 /nfs/dbraw/zinc/72/25/46/180722546.db2.gz KDSAXHHAWLQIPW-UHFFFAOYSA-N 0 0 322.437 4.615 50 0 DJAARN Cc1sc(NC(=O)c2ccco2)nc1-c1ccc(C)cc1C ZINC000000260377 180740535 /nfs/dbraw/zinc/74/05/35/180740535.db2.gz IVHSREXBICFBJC-UHFFFAOYSA-N 0 0 312.394 4.581 50 0 DJAARN Cc1cccc(CN(C(=O)Nc2ccccc2)c2ccccn2)c1 ZINC000000261397 180740966 /nfs/dbraw/zinc/74/09/66/180740966.db2.gz XQWXJVPIYZKXMJ-UHFFFAOYSA-N 0 0 317.392 4.629 50 0 DJAARN COc1ccc(CNc2cc(C)ccc2C)cc1Br ZINC000000293462 180750269 /nfs/dbraw/zinc/75/02/69/180750269.db2.gz HEIKIDYXMSYWII-UHFFFAOYSA-N 0 0 320.230 4.687 50 0 DJAARN C[C@@]12Cc3ccccc3O[C@]1(c1ccccc1)C2(Cl)Cl ZINC000000273297 180744932 /nfs/dbraw/zinc/74/49/32/180744932.db2.gz PAXGGYNLIQMCDG-CVEARBPZSA-N 0 0 305.204 4.711 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 ZINC000000275370 180745263 /nfs/dbraw/zinc/74/52/63/180745263.db2.gz AJNMMPFARPYWIP-UHFFFAOYSA-N 0 0 321.207 4.584 50 0 DJAARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(OC(C)C)c1 ZINC000000309606 180755508 /nfs/dbraw/zinc/75/55/08/180755508.db2.gz CZCJDSKFRMXSEU-UHFFFAOYSA-N 0 0 315.413 4.925 50 0 DJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000000311612 180755980 /nfs/dbraw/zinc/75/59/80/180755980.db2.gz CBOTYSWMXFJZPV-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN CCc1cc(=O)oc2c(C)c(O[C@@H](C)c3ccccc3)ccc12 ZINC000000306085 180753851 /nfs/dbraw/zinc/75/38/51/180753851.db2.gz RABXXUGGHDODMY-AWEZNQCLSA-N 0 0 308.377 4.804 50 0 DJAARN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)c(Cl)c1Cl)NC=O ZINC000000333669 180760536 /nfs/dbraw/zinc/76/05/36/180760536.db2.gz DGGKABXQVJYUBF-OKPNEXGHSA-N 0 0 320.647 4.821 50 0 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CC(C)Oc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000003549096 181033006 /nfs/dbraw/zinc/03/30/06/181033006.db2.gz OUWKAWKZRFRIQL-UHFFFAOYSA-N 0 0 305.377 4.879 50 0 DJAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000003561430 181034740 /nfs/dbraw/zinc/03/47/40/181034740.db2.gz WJIVOJMJVFGXRZ-UHFFFAOYSA-N 0 0 320.097 4.663 50 0 DJAARN COc1cccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000003556499 181034754 /nfs/dbraw/zinc/03/47/54/181034754.db2.gz YFVNZIBBIXLPDX-BQYQJAHWSA-N 0 0 315.800 4.617 50 0 DJAARN Cc1ccc(F)cc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000003566386 181035985 /nfs/dbraw/zinc/03/59/85/181035985.db2.gz OYGFKKBHDABEAO-UHFFFAOYSA-N 0 0 312.171 4.622 50 0 DJAARN CCCCc1noc(-c2c(C)onc2-c2ccccc2Cl)n1 ZINC000003584731 181036854 /nfs/dbraw/zinc/03/68/54/181036854.db2.gz HMKDOXIHYYWELC-UHFFFAOYSA-N 0 0 317.776 4.696 50 0 DJAARN CCc1ccccc1NC(=S)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000003589019 181037712 /nfs/dbraw/zinc/03/77/12/181037712.db2.gz QZVCJOPFFHNTJN-SFHVURJKSA-N 0 0 324.493 4.744 50 0 DJAARN Cc1ccc([C@@H]2CCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000003588471 181038109 /nfs/dbraw/zinc/03/81/09/181038109.db2.gz LBACMIIDYWDBTM-OAHLLOKOSA-N 0 0 314.816 4.670 50 0 DJAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1ccco1 ZINC000003642073 181043634 /nfs/dbraw/zinc/04/36/34/181043634.db2.gz GNTTZSCWDITSAM-MRXNPFEDSA-N 0 0 323.329 4.965 50 0 DJAARN CC(C)CC(=O)Nc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000003655312 181044054 /nfs/dbraw/zinc/04/40/54/181044054.db2.gz NRTPUTFCWPVQPD-UHFFFAOYSA-N 0 0 321.376 4.648 50 0 DJAARN CCCCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1C ZINC000003770795 181045081 /nfs/dbraw/zinc/04/50/81/181045081.db2.gz SZKHDXGSWDLSNP-UHFFFAOYSA-N 0 0 308.381 4.932 50 0 DJAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(Cl)c1Cl ZINC000003608526 181039997 /nfs/dbraw/zinc/03/99/97/181039997.db2.gz BILCVLRXRNHMDV-HNNXBMFYSA-N 0 0 320.219 4.801 50 0 DJAARN CCSc1nc2ccccc2n1C(=O)/C=C/c1cccs1 ZINC000003864957 181050761 /nfs/dbraw/zinc/05/07/61/181050761.db2.gz WVOIGNQBGYLJFA-MDZDMXLPSA-N 0 0 314.435 4.563 50 0 DJAARN O=C1CS[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000003872012 181050771 /nfs/dbraw/zinc/05/07/71/181050771.db2.gz KQEPIRKXSUIUTH-HNNXBMFYSA-N 0 0 324.232 4.768 50 0 in-vitro DJAARN CCCCCCOC(=O)CCCCC(=O)OCCCCCC ZINC000003875771 181051659 /nfs/dbraw/zinc/05/16/59/181051659.db2.gz HHECSPXBQJHZAF-UHFFFAOYSA-N 0 0 314.466 4.794 50 0 DJAARN CCCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000003892444 181053035 /nfs/dbraw/zinc/05/30/35/181053035.db2.gz VIQVNBVOFOPOKT-UHFFFAOYSA-N 0 0 314.768 4.902 50 0 DJAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)cc1 ZINC000003897182 181054392 /nfs/dbraw/zinc/05/43/92/181054392.db2.gz ZRJHDVIQVQKWQR-SFHVURJKSA-N 0 0 304.393 4.500 50 0 DJAARN CC[C@](C)(O)CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000004023868 181063620 /nfs/dbraw/zinc/06/36/20/181063620.db2.gz VWPNQCLIQCRCCG-HHUCQEJWSA-N 0 0 310.522 4.921 50 0 biogenic DJAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CCC21OCCO1 ZINC000004025807 181063681 /nfs/dbraw/zinc/06/36/81/181063681.db2.gz LPIHDSBQLYQECR-MILMJNAHSA-N 0 0 316.485 4.938 50 0 biogenic DJAARN CC[C@]1(O)CC[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C ZINC000004028128 181064632 /nfs/dbraw/zinc/06/46/32/181064632.db2.gz NVYBDSYHTNOJSQ-TXVWBRJLSA-N 0 0 314.469 4.692 50 0 biogenic DJAARN CC(C)(C)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004031874 181065110 /nfs/dbraw/zinc/06/51/10/181065110.db2.gz OSGBHEFHVXOHMJ-UHFFFAOYSA-N 0 0 318.486 4.596 50 0 DJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1 ZINC000004090429 181071812 /nfs/dbraw/zinc/07/18/12/181071812.db2.gz SJEPNRTVLMCXQW-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN O=C(Nc1ccc2sccc2c1)c1ccc2ncsc2c1 ZINC000004088537 181072204 /nfs/dbraw/zinc/07/22/04/181072204.db2.gz XQYZCGAHKPYQSG-UHFFFAOYSA-N 0 0 310.403 4.763 50 0 DJAARN Cc1ccnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000004064186 181068634 /nfs/dbraw/zinc/06/86/34/181068634.db2.gz VXERSDQGQHBEGG-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004081043 181070407 /nfs/dbraw/zinc/07/04/07/181070407.db2.gz AURFZBICLPNKBZ-SYBPFIFISA-N 0 0 318.501 4.595 50 0 endogenous,investigational DJAARN CC1(C)[C@@H]2CC[C@H]1[C@@H]1[C@@H]2C(c2ccccc2)=NN1c1ccccc1 ZINC000004128684 181077591 /nfs/dbraw/zinc/07/75/91/181077591.db2.gz ZDLCCSXUCSBHBK-XODKDNOYSA-N 0 0 316.448 4.962 50 0 DJAARN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000004146925 181079035 /nfs/dbraw/zinc/07/90/35/181079035.db2.gz BOZWAKWZQFHBHI-UYWIDEMCSA-N 0 0 320.432 4.654 50 0 DJAARN Cc1nc(-c2cccc(NC(=O)c3cccc(F)c3)c2)cs1 ZINC000004247950 181088066 /nfs/dbraw/zinc/08/80/66/181088066.db2.gz JDJOZERULKCZBE-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN C[C@@H]1CCc2cc(NC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000004313343 181095780 /nfs/dbraw/zinc/09/57/80/181095780.db2.gz HLQYNLCCEPCGQS-SNVBAGLBSA-N 0 0 305.830 4.779 50 0 DJAARN Fc1ccc(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2ccc(F)cc2)cc1 ZINC000004258561 181089548 /nfs/dbraw/zinc/08/95/48/181089548.db2.gz MYPOZLOTBKKEHR-PQOYOPPMSA-N 0 0 324.374 4.849 50 0 DJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000004330780 181098520 /nfs/dbraw/zinc/09/85/20/181098520.db2.gz POYXHJPWBATSGW-UHFFFAOYSA-N 0 0 316.813 4.819 50 0 DJAARN Oc1cccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c1 ZINC000004336665 181099069 /nfs/dbraw/zinc/09/90/69/181099069.db2.gz KBDCFTWEXYRPSI-NRFANRHFSA-N 0 0 314.388 4.748 50 0 DJAARN CCOc1ccc(-c2ccc(SCc3ccccc3)nn2)cc1 ZINC000004355887 181101777 /nfs/dbraw/zinc/10/17/77/181101777.db2.gz BLFQZZUPBXMBCP-UHFFFAOYSA-N 0 0 322.433 4.835 50 0 DJAARN Fc1cccc(Cl)c1CSc1ccc(-c2ccco2)nn1 ZINC000004357970 181101793 /nfs/dbraw/zinc/10/17/93/181101793.db2.gz HPRLWHJYVIKHNZ-UHFFFAOYSA-N 0 0 320.776 4.821 50 0 DJAARN Cc1nnc(SCc2cc(C)ccc2C)n1-c1ccccc1C ZINC000004358938 181101992 /nfs/dbraw/zinc/10/19/92/181101992.db2.gz SHFHMIUGDBUSEM-UHFFFAOYSA-N 0 0 323.465 4.793 50 0 DJAARN CCCCOC(OCCCC)C(OCCCC)OCCCC ZINC000004404593 181107522 /nfs/dbraw/zinc/10/75/22/181107522.db2.gz LNDOAJBBKMXYGW-UHFFFAOYSA-N 0 0 318.498 4.905 50 0 DJAARN CC1=Nc2ccccc2N=C2C[C@@H](c3ccccc3O)CC(=O)C21 ZINC000004418000 181108303 /nfs/dbraw/zinc/10/83/03/181108303.db2.gz ZJWQTQNPUXGXPN-CYBMUJFWSA-N 0 0 318.376 4.960 50 0 DJAARN Clc1ccc(Cn2c3ccccc3nc2[C@H]2CCCO2)cc1 ZINC000004386856 181105706 /nfs/dbraw/zinc/10/57/06/181105706.db2.gz UPJPMUUYTFATRG-QGZVFWFLSA-N 0 0 312.800 4.590 50 0 DJAARN Cc1ccc(NC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000004542244 181122508 /nfs/dbraw/zinc/12/25/08/181122508.db2.gz VOHKNAFCFQCGAM-UHFFFAOYSA-N 0 0 316.404 4.674 50 0 DJAARN COc1cc2c(cc1NC(=O)CC1CCC1)oc1ccccc12 ZINC000004492393 181114266 /nfs/dbraw/zinc/11/42/66/181114266.db2.gz CHJWJJVVZFNBOR-UHFFFAOYSA-N 0 0 309.365 4.723 50 0 DJAARN CSc1ccccc1C(=O)Nc1ccc2sc(C)nc2c1 ZINC000004517381 181118657 /nfs/dbraw/zinc/11/86/57/181118657.db2.gz HBMINHSUVTXQGU-UHFFFAOYSA-N 0 0 314.435 4.579 50 0 DJAARN COc1ccc(NC(=O)c2cccc(SC)c2)c2ccccc12 ZINC000004517527 181118942 /nfs/dbraw/zinc/11/89/42/181118942.db2.gz OKCXUBOEEDLQCK-UHFFFAOYSA-N 0 0 323.417 4.823 50 0 DJAARN O=C(NCCc1cccs1)c1sc2ccccc2c1Cl ZINC000004520612 181119569 /nfs/dbraw/zinc/11/95/69/181119569.db2.gz XMCCGHKADDAFSH-UHFFFAOYSA-N 0 0 321.854 4.589 50 0 DJAARN O=C1N[C@H](c2ccccc2)Nc2scc(-c3ccccc3)c21 ZINC000004571707 181125838 /nfs/dbraw/zinc/12/58/38/181125838.db2.gz MUQVIEPSMMWYPM-INIZCTEOSA-N 0 0 306.390 4.844 50 0 DJAARN Cc1ccc(/C=C/C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 ZINC000004589944 181128206 /nfs/dbraw/zinc/12/82/06/181128206.db2.gz MRSQQIWZFGUBBD-ATRNFBLSSA-N 0 0 323.779 4.658 50 0 DJAARN O=C(Oc1ccc2ccccc2c1Cl)N1CCCCCC1 ZINC000004666976 181134230 /nfs/dbraw/zinc/13/42/30/181134230.db2.gz UORJLHZRDSWHPM-UHFFFAOYSA-N 0 0 303.789 4.868 50 0 DJAARN CC[C@@H](NC(=O)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004650984 181132061 /nfs/dbraw/zinc/13/20/61/181132061.db2.gz NXKJPUKKLYDVPB-ZVQXUQNISA-N 0 0 303.490 4.678 50 0 DJAARN CCOc1ccc(OCCCOc2ccc(Cl)c(C)c2)cc1 ZINC000004702052 181139160 /nfs/dbraw/zinc/13/91/60/181139160.db2.gz MAYRTGMXVORCGC-UHFFFAOYSA-N 0 0 320.816 4.895 50 0 DJAARN Cc1cc(C)c(NC(=O)Cc2c(F)cccc2Cl)c(C)c1 ZINC000004704423 181139709 /nfs/dbraw/zinc/13/97/09/181139709.db2.gz KDBIEFQZLQACOR-UHFFFAOYSA-N 0 0 305.780 4.586 50 0 DJAARN CC[C@@H](C)c1ccc(OCCSc2nnc(C)s2)cc1 ZINC000004702168 181139791 /nfs/dbraw/zinc/13/97/91/181139791.db2.gz HVGAGLOSERDBJQ-LLVKDONJSA-N 0 0 308.472 4.531 50 0 DJAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1C ZINC000004676421 181135293 /nfs/dbraw/zinc/13/52/93/181135293.db2.gz JBWWVPSNCFBJGK-UHFFFAOYSA-N 0 0 316.404 4.545 50 0 DJAARN CC(=O)Nc1cccc(-c2csc(Nc3ccccc3)n2)c1 ZINC000004688512 181137034 /nfs/dbraw/zinc/13/70/34/181137034.db2.gz FDJPLAITBXCFKD-UHFFFAOYSA-N 0 0 309.394 4.512 50 0 DJAARN CC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000004741417 181145541 /nfs/dbraw/zinc/14/55/41/181145541.db2.gz LEHBAEMMVDHNSV-ZDUSSCGKSA-N 0 0 300.427 4.564 50 0 DJAARN CCC(CC)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000004748701 181147640 /nfs/dbraw/zinc/14/76/40/181147640.db2.gz VJUMRHYAUROGOS-UHFFFAOYSA-N 0 0 309.453 4.761 50 0 DJAARN CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(C2CCCCC2)C1=O ZINC000004747639 181147667 /nfs/dbraw/zinc/14/76/67/181147667.db2.gz PKCMAEBJKUJFSS-HXUWFJFHSA-N 0 0 322.452 4.731 50 0 DJAARN Cc1cc2ncn(CCCOc3ccc4c(c3)CCC4)c2cc1C ZINC000004759453 181148890 /nfs/dbraw/zinc/14/88/90/181148890.db2.gz POLAUGNONNFERU-UHFFFAOYSA-N 0 0 320.436 4.611 50 0 DJAARN O=C(NC[C@@H](c1ccccc1)C1CCCCC1)c1cccs1 ZINC000004744122 181146311 /nfs/dbraw/zinc/14/63/11/181146311.db2.gz GCWZMHQNWDKPMI-KRWDZBQOSA-N 0 0 313.466 4.842 50 0 DJAARN CC[C@H](c1ccc(OC)cc1)N(CC)C(=O)Nc1ccccc1 ZINC000004785184 181152115 /nfs/dbraw/zinc/15/21/15/181152115.db2.gz MMWUQAQNRMSSHU-GOSISDBHSA-N 0 0 312.413 4.700 50 0 DJAARN O[C@H]1CC2CCC(CCCCC3CCC(C[C@@H]1O)CC3)CC2 ZINC000004795348 181152753 /nfs/dbraw/zinc/15/27/53/181152753.db2.gz VYYXVXUGOJWRAU-RZXUBOOQSA-N 0 0 308.506 4.675 50 0 DJAARN CSc1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000004807392 181154027 /nfs/dbraw/zinc/15/40/27/181154027.db2.gz WZMFLKAFINXFKU-UHFFFAOYSA-N 0 0 311.328 4.680 50 0 DJAARN Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1F ZINC000004820690 181156480 /nfs/dbraw/zinc/15/64/80/181156480.db2.gz HOKOPJGQHVFLKI-UHFFFAOYSA-N 0 0 319.379 4.982 50 0 DJAARN CC(=O)Nc1cccc(OCc2cccc(Cl)c2Cl)c1 ZINC000004842836 181161859 /nfs/dbraw/zinc/16/18/59/181161859.db2.gz ILLLQQLQIYPVGL-UHFFFAOYSA-N 0 0 310.180 4.531 50 0 DJAARN Cc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)NC2=S)cc1 ZINC000004891247 181168669 /nfs/dbraw/zinc/16/86/69/181168669.db2.gz KHVLVRYDJGCNNK-UHFFFAOYSA-N 0 0 314.498 4.647 50 0 DJAARN C/C(=C\C(=O)NCC1(c2ccccc2)CCCC1)c1ccccc1 ZINC000004904937 181170800 /nfs/dbraw/zinc/17/08/00/181170800.db2.gz ITBOEKZNPNACJD-FBMGVBCBSA-N 0 0 319.448 4.718 50 0 DJAARN CC(=O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000004868699 181166286 /nfs/dbraw/zinc/16/62/86/181166286.db2.gz XSSPGSRNJYMWED-UHFFFAOYSA-N 0 0 323.779 4.948 50 0 DJAARN O=C(Nc1cc(Cl)ccc1OCc1ccccc1)C1CCC1 ZINC000004869896 181166478 /nfs/dbraw/zinc/16/64/78/181166478.db2.gz YCGXKDXWNDOUBF-UHFFFAOYSA-N 0 0 315.800 4.658 50 0 DJAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000004950289 181178426 /nfs/dbraw/zinc/17/84/26/181178426.db2.gz AAGZLFDVTVXFLL-INIZCTEOSA-N 0 0 320.219 4.801 50 0 DJAARN O=c1nc(C(F)(F)F)cc(C=Cc2cccc3ccccc23)[nH]1 ZINC000004993359 181186702 /nfs/dbraw/zinc/18/67/02/181186702.db2.gz LAXRRYVWEOQUER-CMDGGOBGSA-N 0 0 316.282 4.525 50 0 DJAARN CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000004988532 181185953 /nfs/dbraw/zinc/18/59/53/181185953.db2.gz MRALPDSMUCLCKJ-UHFFFAOYSA-N 0 0 324.380 4.591 50 0 DJAARN Cc1ccc([C@H]2c3ccccc3C=CN2C(=O)c2ccccc2)o1 ZINC000004991369 181186566 /nfs/dbraw/zinc/18/65/66/181186566.db2.gz HYWCIHFILDOLDR-HXUWFJFHSA-N 0 0 315.372 4.804 50 0 DJAARN Cc1[nH]c(-c2ccccc2N)nc1-c1cccc(C(F)(F)F)c1 ZINC000075566808 191492150 /nfs/dbraw/zinc/49/21/50/191492150.db2.gz NPOMGQMXDURJFI-UHFFFAOYSA-N 0 0 317.314 4.653 50 0 DJAARN CCOc1cc(-c2nc3ccccc3s2)cc(Cl)c1O ZINC000005041561 181195338 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0 DJAARN Fc1c(Cl)cc(Br)cc1OCc1ccccc1 ZINC000261493709 203073165 /nfs/dbraw/zinc/07/31/65/203073165.db2.gz HRWGHNPNKIEIDY-UHFFFAOYSA-N 0 0 315.569 4.821 50 0 DJAARN O=C(c1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000261494906 203074084 /nfs/dbraw/zinc/07/40/84/203074084.db2.gz RQJINSSHNXLGHU-UHFFFAOYSA-N 0 0 320.097 4.638 50 0 DJAARN CCCCOc1cc(Br)cc(C(F)(F)F)c1F ZINC000261493785 203074358 /nfs/dbraw/zinc/07/43/58/203074358.db2.gz JDOQBJQGLUFVSW-UHFFFAOYSA-N 0 0 315.104 4.786 50 0 DJAARN c1ccc(-c2nnc(CSc3ccc4c(c3)CCC4)o2)cc1 ZINC000007080926 181437672 /nfs/dbraw/zinc/43/76/72/181437672.db2.gz DLABRJNJUDQGPY-UHFFFAOYSA-N 0 0 308.406 4.518 50 0 DJAARN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000257346031 203066395 /nfs/dbraw/zinc/06/63/95/203066395.db2.gz OZUIPNMWFGWFOM-DUPWDJBLSA-N 0 0 304.474 4.613 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C(=O)C[C@@]12C ZINC000257345758 203066419 /nfs/dbraw/zinc/06/64/19/203066419.db2.gz 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/nfs/dbraw/zinc/49/53/73/181495373.db2.gz ZHNSOQNPNJORNO-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN Cc1ccc(NC(=O)c2cccc(Oc3ccccn3)c2)cc1C ZINC000096122674 193545714 /nfs/dbraw/zinc/54/57/14/193545714.db2.gz RRCAGVTZNOVKJT-UHFFFAOYSA-N 0 0 318.376 4.743 50 0 DJAARN Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1ccccc1 ZINC000007845973 181501834 /nfs/dbraw/zinc/50/18/34/181501834.db2.gz HQLKECWKAHVMMP-UHFFFAOYSA-N 0 0 312.369 4.510 50 0 DJAARN Cc1cc(C)c(S[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1 ZINC000008204249 181534891 /nfs/dbraw/zinc/53/48/91/181534891.db2.gz LDWKGAYIPLLWAV-AWEZNQCLSA-N 0 0 317.429 4.870 50 0 DJAARN CCc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 ZINC000008209806 181534980 /nfs/dbraw/zinc/53/49/80/181534980.db2.gz VDTXIPIAFQWQSI-UHFFFAOYSA-N 0 0 320.417 4.534 50 0 DJAARN Cc1ccc(CNC(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000008392512 181553777 /nfs/dbraw/zinc/55/37/77/181553777.db2.gz JLJHRFYECHCXIW-INIZCTEOSA-N 0 0 318.420 4.709 50 0 DJAARN CC(=O)Nc1ccc(SCc2cc(-c3ccccc3)on2)cc1 ZINC000008557770 181563812 /nfs/dbraw/zinc/56/38/12/181563812.db2.gz HHZCZGMXLXOMTH-UHFFFAOYSA-N 0 0 324.405 4.592 50 0 DJAARN COc1ccc2c(C)cc(SCC(=O)c3ccccc3)nc2c1 ZINC000008657390 181570561 /nfs/dbraw/zinc/57/05/61/181570561.db2.gz LLSUSBVBCSSWNP-UHFFFAOYSA-N 0 0 323.417 4.527 50 0 DJAARN CCN(CC)C(=O)C[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1 ZINC000008992524 181595836 /nfs/dbraw/zinc/59/58/36/181595836.db2.gz GTTBQRNGTQUNST-IEBWSBKVSA-N 0 0 311.510 4.503 50 0 DJAARN CCOc1ccccc1Oc1ncnc2c3ccccc3oc21 ZINC000008607989 181568696 /nfs/dbraw/zinc/56/86/96/181568696.db2.gz XSLKZDBADGJAHU-UHFFFAOYSA-N 0 0 306.321 4.567 50 0 DJAARN CCC[C@@H](Nc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000009726794 181638105 /nfs/dbraw/zinc/63/81/05/181638105.db2.gz DNJXUZGZGZOSQO-CYBMUJFWSA-N 0 0 317.389 4.891 50 0 DJAARN O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc(Cl)c1 ZINC000009750781 181639681 /nfs/dbraw/zinc/63/96/81/181639681.db2.gz QIACWDQZFJRISO-UHFFFAOYSA-N 0 0 312.703 4.585 50 0 DJAARN CCc1ccccc1NC(=O)CSc1ccc2ccccc2n1 ZINC000010962495 181682430 /nfs/dbraw/zinc/68/24/30/181682430.db2.gz OGGBKLLPMAQWLX-UHFFFAOYSA-N 0 0 322.433 4.528 50 0 DJAARN C[C@H](NC(=O)NCCC1=CCCCC1)c1cc2ccccc2o1 ZINC000011607473 181695154 /nfs/dbraw/zinc/69/51/54/181695154.db2.gz XVFQOSNUZMMLLP-AWEZNQCLSA-N 0 0 312.413 4.684 50 0 DJAARN Cc1ccc([C@H](NC(=O)/C=C\c2ccco2)c2ccccc2)cc1 ZINC000096578919 193680681 /nfs/dbraw/zinc/68/06/81/193680681.db2.gz LNRHZZSFEPEXGM-DZFTYQQFSA-N 0 0 317.388 4.507 50 0 DJAARN Cc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000012562081 181777192 /nfs/dbraw/zinc/77/71/92/181777192.db2.gz RIXVNKFEBJDSBU-HXUWFJFHSA-N 0 0 311.388 4.984 50 0 DJAARN CCCCc1nc2ccccc2n1CCC(=O)c1ccc(F)cc1 ZINC000012604336 181782370 /nfs/dbraw/zinc/78/23/70/181782370.db2.gz PJEGXSKIWKCRJY-UHFFFAOYSA-N 0 0 324.399 4.791 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1ccccc1 ZINC000012762162 181794793 /nfs/dbraw/zinc/79/47/93/181794793.db2.gz HEEJZMIDCPGTTI-OAHLLOKOSA-N 0 0 316.404 4.548 50 0 DJAARN CCCC(=O)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 ZINC000012856602 181804331 /nfs/dbraw/zinc/80/43/31/181804331.db2.gz RPWVMZLFFXNTCP-UHFFFAOYSA-N 0 0 324.380 4.501 50 0 DJAARN COc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)c(OC)c1 ZINC000012814203 181800606 /nfs/dbraw/zinc/80/06/06/181800606.db2.gz PHOREGDGURILLP-XBXARRHUSA-N 0 0 315.756 4.669 50 0 DJAARN COc1ccc(F)cc1-c1csc(-c2cccc(F)c2)n1 ZINC000012811105 181800920 /nfs/dbraw/zinc/80/09/20/181800920.db2.gz IDFWLFCMKDMIOZ-UHFFFAOYSA-N 0 0 303.333 4.764 50 0 DJAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000012940925 181814165 /nfs/dbraw/zinc/81/41/65/181814165.db2.gz CZDPSSFHAOGZPG-UONOGXRCSA-N 0 0 315.388 4.745 50 0 DJAARN Cc1ccc2nc(NC(=O)c3cc(Cl)ccc3F)sc2c1 ZINC000013003570 181821263 /nfs/dbraw/zinc/82/12/63/181821263.db2.gz CSLPZXYCKRPNBL-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN CN(C(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1 ZINC000012996578 181820204 /nfs/dbraw/zinc/82/02/04/181820204.db2.gz VODDOOPOTHCHPZ-UHFFFAOYSA-N 0 0 319.788 4.970 50 0 DJAARN CCc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013320286 181842862 /nfs/dbraw/zinc/84/28/62/181842862.db2.gz OCHLJVWUHRANFB-ZDUSSCGKSA-N 0 0 300.377 4.579 50 0 DJAARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1Cl ZINC000013325831 181843487 /nfs/dbraw/zinc/84/34/87/181843487.db2.gz YQDVWIXKGUDOGC-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN CCOc1ccc2ccccc2c1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013328122 181844313 /nfs/dbraw/zinc/84/43/13/181844313.db2.gz IVFOBGWHYUNDKI-GASCZTMLSA-N 0 0 311.425 4.642 50 0 DJAARN Cc1ccc(C)c([C@H](C)NC(=O)c2c(F)cccc2Cl)c1 ZINC000013329759 181844647 /nfs/dbraw/zinc/84/46/47/181844647.db2.gz UGQDRDIYMJESNJ-LBPRGKRZSA-N 0 0 305.780 4.587 50 0 DJAARN COc1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000013536068 181859127 /nfs/dbraw/zinc/85/91/27/181859127.db2.gz OPGUZRRLMQSMAQ-UHFFFAOYSA-N 0 0 300.361 4.701 50 0 in-vivo DJAARN CC(=C\c1ccccc1)/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000013689228 181880408 /nfs/dbraw/zinc/88/04/08/181880408.db2.gz BHIRNHKCSBPUQL-PZAFVPBJSA-N 0 0 321.401 4.874 50 0 DJAARN C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)s1 ZINC000013744555 181888550 /nfs/dbraw/zinc/88/85/50/181888550.db2.gz WXNNQKNKDYLMMS-ZETCQYMHSA-N 0 0 316.760 4.562 50 0 DJAARN Cc1c2ccccc2[nH]c1[C@@H]1c2ccccc2C(=O)N1C(C)(C)C ZINC000013955669 181914986 /nfs/dbraw/zinc/91/49/86/181914986.db2.gz PEPLEBJHGXNFIF-IBGZPJMESA-N 0 0 318.420 4.820 50 0 DJAARN C[C@H](NC(=O)Cc1ccccc1Cl)c1cccc2ccccc21 ZINC000014601963 181960413 /nfs/dbraw/zinc/96/04/13/181960413.db2.gz HRWQHQXRYLDFHQ-AWEZNQCLSA-N 0 0 323.823 4.913 50 0 DJAARN Clc1ccc2c(c1)N[C@@H](c1ccccc1Cl)n1nccc1-2 ZINC000015107593 181989187 /nfs/dbraw/zinc/98/91/87/181989187.db2.gz GHWVNQZHBIOJDO-MRXNPFEDSA-N 0 0 316.191 4.829 50 0 DJAARN CC1(C)C=Cc2c(ccc3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000015120905 181990015 /nfs/dbraw/zinc/99/00/15/181990015.db2.gz RBKWJAHRWPDNPM-UHFFFAOYSA-N 0 0 304.345 4.644 50 0 biogenic,in-vitro DJAARN COc1ccc(S[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000015519748 182005175 /nfs/dbraw/zinc/00/51/75/182005175.db2.gz MJYKBNYKWSTRHK-GFCCVEGCSA-N 0 0 311.406 4.540 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1ccccc1COc1ccccc1 ZINC000015629228 182009338 /nfs/dbraw/zinc/00/93/38/182009338.db2.gz YNLUUMKWOBYYML-UHFFFAOYSA-N 0 0 321.351 4.657 50 0 DJAARN CCC(CC)C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000015669930 182010941 /nfs/dbraw/zinc/01/09/41/182010941.db2.gz STGPXSYETSKNAA-GFCCVEGCSA-N 0 0 308.491 4.669 50 0 DJAARN Cc1cc2nc(COc3ccc(Cl)c(C)c3)[nH]c2cc1C ZINC000015833526 182019821 /nfs/dbraw/zinc/01/98/21/182019821.db2.gz MLJLQGISUFLNIJ-UHFFFAOYSA-N 0 0 300.789 4.721 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1Cl ZINC000015837819 182021008 /nfs/dbraw/zinc/02/10/08/182021008.db2.gz XRWPWTLRZWYUHP-CQSZACIVSA-N 0 0 304.777 4.610 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)c(Cl)c1 ZINC000015837838 182021121 /nfs/dbraw/zinc/02/11/21/182021121.db2.gz OVXREVFDBHPYCF-AWEZNQCLSA-N 0 0 304.777 4.610 50 0 DJAARN Cc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1 ZINC000015859119 182021693 /nfs/dbraw/zinc/02/16/93/182021693.db2.gz YJOZMHRWABWAHX-UHFFFAOYSA-N 0 0 305.381 4.518 50 0 DJAARN CCc1nc2c3ccccc3oc2c(Oc2ccc(F)cc2)n1 ZINC000015866552 182022952 /nfs/dbraw/zinc/02/29/52/182022952.db2.gz JMRZXXKIPFYXOU-UHFFFAOYSA-N 0 0 308.312 4.870 50 0 DJAARN O=C(NCc1ccccc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015867081 182022982 /nfs/dbraw/zinc/02/29/82/182022982.db2.gz YQEPBONIORIVOV-MRXNPFEDSA-N 0 0 314.454 4.575 50 0 DJAARN CCOc1ccc2oc(C)c(C(=O)Nc3ccc(CC)cc3)c2c1 ZINC000015880457 182023537 /nfs/dbraw/zinc/02/35/37/182023537.db2.gz HPLVOGSIMCXBFQ-UHFFFAOYSA-N 0 0 323.392 4.955 50 0 DJAARN COc1ccc(-c2nc3ccccc3c(NC3CCCC3)n2)cc1 ZINC000015781573 182016612 /nfs/dbraw/zinc/01/66/12/182016612.db2.gz ZHMGXNJUTXSJBY-UHFFFAOYSA-N 0 0 319.408 4.660 50 0 DJAARN Cc1ccccc1NC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000015784679 182017508 /nfs/dbraw/zinc/01/75/08/182017508.db2.gz SHSUNCYCFYZCNG-UHFFFAOYSA-N 0 0 315.442 4.755 50 0 DJAARN O=C(Cc1cccc(F)c1)Nc1ccccc1Oc1ccccc1 ZINC000015963616 182026331 /nfs/dbraw/zinc/02/63/31/182026331.db2.gz BFQHXQAVPIXJNR-UHFFFAOYSA-N 0 0 321.351 4.799 50 0 DJAARN Cc1c(Cl)cccc1NC(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000016184282 182035676 /nfs/dbraw/zinc/03/56/76/182035676.db2.gz DPYRJFZIQUZJST-JTNHKYCSSA-N 0 0 310.894 4.760 50 0 DJAARN CCc1sc(NC(=O)C2CCCC2)nc1-c1ccccc1 ZINC000016580550 182051199 /nfs/dbraw/zinc/05/11/99/182051199.db2.gz BUQOSMCOIJYTEZ-UHFFFAOYSA-N 0 0 300.427 4.501 50 0 DJAARN C[C@@H]1C[C@H](C)CN(C(=S)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000016608488 182053674 /nfs/dbraw/zinc/05/36/74/182053674.db2.gz FEYNJEADKCFWBA-AOOOYVTPSA-N 0 0 317.285 4.668 50 0 DJAARN Cc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1 ZINC000017041945 182070576 /nfs/dbraw/zinc/07/05/76/182070576.db2.gz NGIIKZYZWFLNGV-UHFFFAOYSA-N 0 0 307.397 4.534 50 0 DJAARN CCOc1ccc2[nH]c(COc3ccc(Cl)c(C)c3)nc2c1 ZINC000016903852 182063519 /nfs/dbraw/zinc/06/35/19/182063519.db2.gz HDSHDXDHMZAYEK-UHFFFAOYSA-N 0 0 316.788 4.502 50 0 DJAARN Cc1cc(O[C@H](C)c2nc3cc(F)ccc3[nH]2)ccc1Cl ZINC000016903982 182063608 /nfs/dbraw/zinc/06/36/08/182063608.db2.gz OMTHLFGWDSHXNF-SNVBAGLBSA-N 0 0 304.752 4.804 50 0 DJAARN CCOc1ccc2[nH]c(COc3ccccc3C(C)C)nc2c1 ZINC000016903858 182063840 /nfs/dbraw/zinc/06/38/40/182063840.db2.gz CDYLJMLGRYBSJV-UHFFFAOYSA-N 0 0 310.397 4.664 50 0 DJAARN Cc1cc2nc([C@H](C)Oc3ccc(Cl)cc3)[nH]c2cc1C ZINC000016904020 182063924 /nfs/dbraw/zinc/06/39/24/182063924.db2.gz VTNDSACHULYDFO-LBPRGKRZSA-N 0 0 300.789 4.973 50 0 DJAARN C[C@H](NC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 ZINC000017323224 182083658 /nfs/dbraw/zinc/08/36/58/182083658.db2.gz XGUPKIHJFOYJBH-KRWDZBQOSA-N 0 0 315.416 4.768 50 0 DJAARN Cc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1Cl ZINC000017743190 182085625 /nfs/dbraw/zinc/08/56/25/182085625.db2.gz XUEXZLHFPIGPMD-NSHDSACASA-N 0 0 320.845 4.861 50 0 DJAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 ZINC000017198423 182079976 /nfs/dbraw/zinc/07/99/76/182079976.db2.gz AHOBJSSNSGCCLT-QGZVFWFLSA-N 0 0 317.841 4.681 50 0 DJAARN CCCc1nnc(-c2cc3ccccc3n2Cc2ccccc2)o1 ZINC000017287304 182080699 /nfs/dbraw/zinc/08/06/99/182080699.db2.gz NIDYIDTWNYYMKA-UHFFFAOYSA-N 0 0 317.392 4.692 50 0 DJAARN Cc1cc(Cl)ccc1OCCCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000018178583 182097102 /nfs/dbraw/zinc/09/71/02/182097102.db2.gz HTIJBXMCUJQFTH-GASCZTMLSA-N 0 0 323.864 4.597 50 0 DJAARN CC[C@H](CNc1ccc(OC)c(Cl)c1)Oc1ccccc1C ZINC000019738097 182141194 /nfs/dbraw/zinc/14/11/94/182141194.db2.gz WIHOPVMYHSBYEM-OAHLLOKOSA-N 0 0 319.832 4.927 50 0 DJAARN c1csc(CNc2ccc(OCCc3ccccc3)cc2)c1 ZINC000019738283 182141207 /nfs/dbraw/zinc/14/12/07/182141207.db2.gz BKJRXPAVQXEEEB-UHFFFAOYSA-N 0 0 309.434 4.982 50 0 DJAARN Brc1ccc(NCc2cccc3ccccc32)nc1 ZINC000019901290 182162352 /nfs/dbraw/zinc/16/23/52/182162352.db2.gz XUQGIGWQBOYFKO-UHFFFAOYSA-N 0 0 313.198 4.609 50 0 DJAARN CC(C)(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019908609 182163115 /nfs/dbraw/zinc/16/31/15/182163115.db2.gz NDCVUPMVVPXYRO-MJGOQNOKSA-N 0 0 306.409 4.602 50 0 DJAARN CCc1cc2c(ncnc2Nc2ccc(Cl)cc2C)s1 ZINC000019952650 182169556 /nfs/dbraw/zinc/16/95/56/182169556.db2.gz BPAJUIYGADBSMW-UHFFFAOYSA-N 0 0 303.818 4.959 50 0 DJAARN c1coc(CN2C[C@@H](c3ccccc3)O[C@H]2c2ccccc2)c1 ZINC000019939453 182168080 /nfs/dbraw/zinc/16/80/80/182168080.db2.gz RXRPCXBRWGXORZ-PMACEKPBSA-N 0 0 305.377 4.552 50 0 DJAARN CCc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020192185 182196178 /nfs/dbraw/zinc/19/61/78/182196178.db2.gz HPGOHSNCIWSACF-NSHDSACASA-N 0 0 320.795 4.924 50 0 DJAARN Cc1sc2c(c1C)CSC(C(=O)Nc1ccc(C)cc1)=C2 ZINC000020557372 182231869 /nfs/dbraw/zinc/23/18/69/182231869.db2.gz OJNYPQDTFHBVRF-UHFFFAOYSA-N 0 0 315.463 4.900 50 0 DJAARN Cc1ccccc1NC(=O)c1cc2cccc3c2n1C[C@H](C)S3 ZINC000020559802 182232340 /nfs/dbraw/zinc/23/23/40/182232340.db2.gz WGLUACXEIAWERJ-ZDUSSCGKSA-N 0 0 322.433 4.696 50 0 DJAARN O=C(Nc1ccc(Cl)cc1F)N[C@@H]1CCCc2ccccc21 ZINC000020533662 182227582 /nfs/dbraw/zinc/22/75/82/182227582.db2.gz WLHFGQQETYFDDJ-OAHLLOKOSA-N 0 0 318.779 4.678 50 0 DJAARN O=C(Nc1nc2ccccc2s1)Nc1ccc(Cl)cc1F ZINC000020534049 182228042 /nfs/dbraw/zinc/22/80/42/182228042.db2.gz KGDPXKDZXJHZCH-UHFFFAOYSA-N 0 0 321.764 4.733 50 0 DJAARN CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nccc3N2)cc1 ZINC000020616565 182239658 /nfs/dbraw/zinc/23/96/58/182239658.db2.gz LXZABDZIFWMVDY-ZIAGYGMSSA-N 0 0 309.335 4.667 50 0 DJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(Cl)ccc1Cl ZINC000020836783 182248782 /nfs/dbraw/zinc/24/87/82/182248782.db2.gz ZUTUXKBEPKOPAQ-SNVBAGLBSA-N 0 0 306.192 4.585 50 0 DJAARN O=C(c1cc2c(s1)-c1ccsc1CC2)N1CCCCCC1 ZINC000021043448 182263182 /nfs/dbraw/zinc/26/31/82/182263182.db2.gz HFVZHWVBULAAEF-UHFFFAOYSA-N 0 0 317.479 4.591 50 0 DJAARN O=C(Nc1nc2c(s1)CCCCC2)Nc1cccc(Cl)c1 ZINC000021087822 182264615 /nfs/dbraw/zinc/26/46/15/182264615.db2.gz NOLXFKAPBVEIFS-UHFFFAOYSA-N 0 0 321.833 4.709 50 0 DJAARN CCc1ccc(NC(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000021087830 182264816 /nfs/dbraw/zinc/26/48/16/182264816.db2.gz TZGAZMMUNWOMSS-UHFFFAOYSA-N 0 0 315.442 4.618 50 0 DJAARN Cc1cc(F)ccc1NC(=O)C[C@@H](c1ccccc1)n1cccc1 ZINC000021016277 182260882 /nfs/dbraw/zinc/26/08/82/182260882.db2.gz QHTOCNIUJMLPKA-IBGZPJMESA-N 0 0 322.383 4.554 50 0 DJAARN Fc1ccc(Oc2ncnc3c4ccccc4oc32)c(Cl)c1 ZINC000021117127 182266041 /nfs/dbraw/zinc/26/60/41/182266041.db2.gz XZEFSQHWFQHFJV-UHFFFAOYSA-N 0 0 314.703 4.961 50 0 DJAARN Cc1ccc(Cl)c(OC(=O)c2sc3ccccc3c2N)c1 ZINC000021115156 182266112 /nfs/dbraw/zinc/26/61/12/182266112.db2.gz YNVKPMCGSANQGQ-UHFFFAOYSA-N 0 0 317.797 4.665 50 0 DJAARN COC(=O)c1cc(-c2ccccc2)c(N2CCCCCC2)s1 ZINC000021163296 182267121 /nfs/dbraw/zinc/26/71/21/182267121.db2.gz VPIBSYIKKQSQQQ-UHFFFAOYSA-N 0 0 315.438 4.582 50 0 DJAARN CCOc1ccc(-c2csc(Nc3ccc(C)cn3)n2)cc1 ZINC000021364440 182272848 /nfs/dbraw/zinc/27/28/48/182272848.db2.gz BTBNRJVVCWGUBO-UHFFFAOYSA-N 0 0 311.410 4.656 50 0 DJAARN Clc1cccc(-c2noc3ncnc(Nc4ccccc4)c32)c1 ZINC000021714548 182284794 /nfs/dbraw/zinc/28/47/94/182284794.db2.gz PBWOHGFSDDWOFM-UHFFFAOYSA-N 0 0 322.755 4.682 50 0 DJAARN Cc1ccc(-c2nc3ncccn3c2NC2CCC(C)CC2)cc1 ZINC000021631311 182281187 /nfs/dbraw/zinc/28/11/87/182281187.db2.gz DTTLUARVOXCYRA-UHFFFAOYSA-N 0 0 320.440 4.695 50 0 DJAARN COc1ccc2[nH]c(COc3cc(C)ccc3C(C)C)nc2c1 ZINC000021658796 182282672 /nfs/dbraw/zinc/28/26/72/182282672.db2.gz JVDLGHRADNQFNM-UHFFFAOYSA-N 0 0 310.397 4.582 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1(c2ccc(F)cc2)CC1 ZINC000021695736 182283903 /nfs/dbraw/zinc/28/39/03/182283903.db2.gz RBYWTVCNMCXTPT-UHFFFAOYSA-N 0 0 323.289 4.515 50 0 DJAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000021707140 182283930 /nfs/dbraw/zinc/28/39/30/182283930.db2.gz SLCAOMPYKGDFKT-NEPJUHHUSA-N 0 0 301.773 4.727 50 0 DJAARN C(=C/c1ccccc1)\Cn1c2ccccc2nc1[C@H]1CCCO1 ZINC000021782626 182288430 /nfs/dbraw/zinc/28/84/30/182288430.db2.gz JALFBCUFSOQDRD-ZAOIQFLMSA-N 0 0 304.393 4.601 50 0 DJAARN O=C(c1cc2ccccc2s1)N1CCC[C@H]1c1cccs1 ZINC000022131795 182309650 /nfs/dbraw/zinc/30/96/50/182309650.db2.gz KZOJONYPIRZABF-ZDUSSCGKSA-N 0 0 313.447 4.940 50 0 DJAARN CCCC[C@H](CC)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000022312952 182317279 /nfs/dbraw/zinc/31/72/79/182317279.db2.gz QUKFUCQCZAXAQW-SFHVURJKSA-N 0 0 319.464 4.823 50 0 DJAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000022328535 182318073 /nfs/dbraw/zinc/31/80/73/182318073.db2.gz JPWMMRLUZJQSHZ-MRXNPFEDSA-N 0 0 320.219 4.971 50 0 DJAARN CC(C)C[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000022333686 182318753 /nfs/dbraw/zinc/31/87/53/182318753.db2.gz UYYMBGGLDLWUOR-GFCCVEGCSA-N 0 0 305.418 4.719 50 0 DJAARN Cc1ccc2cccc(OCc3coc(-c4ccccc4)n3)c2n1 ZINC000022553736 182326260 /nfs/dbraw/zinc/32/62/60/182326260.db2.gz WHRJXTSHVJWGQN-UHFFFAOYSA-N 0 0 316.360 4.777 50 0 DJAARN CC(C)=CC(=O)Nc1ccccc1SCc1ccsc1 ZINC000022833499 182337092 /nfs/dbraw/zinc/33/70/92/182337092.db2.gz SPCWYMJLQXYLTI-UHFFFAOYSA-N 0 0 303.452 4.945 50 0 DJAARN O=C(/C=C/c1cccc2cccnc12)Nc1ccc(Cl)cc1 ZINC000023042615 182345447 /nfs/dbraw/zinc/34/54/47/182345447.db2.gz HHBJOYGFQJKMIP-IZZDOVSWSA-N 0 0 308.768 4.540 50 0 DJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccccc1F ZINC000023074898 182346428 /nfs/dbraw/zinc/34/64/28/182346428.db2.gz YYWCSTYTWISVCI-GFCCVEGCSA-N 0 0 312.344 4.797 50 0 DJAARN CCC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000023054965 182346440 /nfs/dbraw/zinc/34/64/40/182346440.db2.gz XQARSWYUQJPNEA-SFHVURJKSA-N 0 0 322.452 4.809 50 0 DJAARN Cc1ccccc1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000023115719 182348186 /nfs/dbraw/zinc/34/81/86/182348186.db2.gz JTVFFQRTPJREHM-UHFFFAOYSA-N 0 0 301.389 4.843 50 0 DJAARN Cc1sc(Nc2ccccn2)nc1-c1cccc(Cl)c1 ZINC000023625472 182364845 /nfs/dbraw/zinc/36/48/45/182364845.db2.gz CPDMTVSIMOTUPX-UHFFFAOYSA-N 0 0 301.802 4.911 50 0 DJAARN CCc1cccc2c(-c3csc(Cc4ccccn4)n3)c[nH]c21 ZINC000023623842 182364904 /nfs/dbraw/zinc/36/49/04/182364904.db2.gz JPCGWARJPQKVQH-UHFFFAOYSA-N 0 0 319.433 4.840 50 0 DJAARN CCc1cc2c(ncnc2NCc2ccc(Cl)cc2)s1 ZINC000024057006 182374517 /nfs/dbraw/zinc/37/45/17/182374517.db2.gz WSIYXHRYBXNZCY-UHFFFAOYSA-N 0 0 303.818 4.519 50 0 DJAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025314359 182408596 /nfs/dbraw/zinc/40/85/96/182408596.db2.gz AKLHEQGXTBGPNF-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(F)c1 ZINC000098072790 193782311 /nfs/dbraw/zinc/78/23/11/193782311.db2.gz JELWMDJOAGZCIY-UHFFFAOYSA-N 0 0 316.229 4.628 50 0 DJAARN Cc1ccsc1C(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000025602368 182417739 /nfs/dbraw/zinc/41/77/39/182417739.db2.gz DVORWHZDEMAAPA-HNNXBMFYSA-N 0 0 313.447 4.637 50 0 DJAARN COC(=O)Nc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000026688331 182450874 /nfs/dbraw/zinc/45/08/74/182450874.db2.gz QGVRTHHWQLEYKI-UHFFFAOYSA-N 0 0 316.407 4.717 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027582473 182480616 /nfs/dbraw/zinc/48/06/16/182480616.db2.gz XSTADLMJKWXGLT-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(C)c1C ZINC000031872490 182627567 /nfs/dbraw/zinc/62/75/67/182627567.db2.gz QBUFBCUKQYRILQ-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Cc1ccc(NCc2coc(-c3cccs3)n2)cc1Cl ZINC000032753215 182659064 /nfs/dbraw/zinc/65/90/64/182659064.db2.gz QXBOBMRSDWPLRJ-UHFFFAOYSA-N 0 0 304.802 4.977 50 0 DJAARN Cc1occc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032739316 182658064 /nfs/dbraw/zinc/65/80/64/182658064.db2.gz HGBFRTFYFVALKA-CQSZACIVSA-N 0 0 305.377 4.746 50 0 DJAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccoc1 ZINC000032841482 182670794 /nfs/dbraw/zinc/67/07/94/182670794.db2.gz OJNMTQBDOXBLHH-UHFFFAOYSA-N 0 0 303.317 4.945 50 0 DJAARN O=C(Nc1cccc(Cl)c1)c1cccnc1-c1cccs1 ZINC000033139017 182694776 /nfs/dbraw/zinc/69/47/76/182694776.db2.gz MAZVXZZVZDDARQ-UHFFFAOYSA-N 0 0 314.797 4.716 50 0 DJAARN Cc1ccc(Nc2c(-c3ccsc3)nc3ncccn32)cc1C ZINC000033268339 182698422 /nfs/dbraw/zinc/69/84/22/182698422.db2.gz HEPIQLJGPGMJFN-UHFFFAOYSA-N 0 0 320.421 4.818 50 0 DJAARN O=C(/C=C\c1ccccc1)OCc1csc(-c2ccccc2)n1 ZINC000033863786 182724073 /nfs/dbraw/zinc/72/40/73/182724073.db2.gz WXLMRSYISCDXJB-QXMHVHEDSA-N 0 0 321.401 4.567 50 0 DJAARN Cc1ccccc1Oc1ccc(NC(=O)c2ccc(F)cc2)cn1 ZINC000034840217 182740034 /nfs/dbraw/zinc/74/00/34/182740034.db2.gz QXNSOAUGGPPSBZ-UHFFFAOYSA-N 0 0 322.339 4.574 50 0 DJAARN O=C(NCCC1=CCCCC1)c1ccc(-c2cccc(F)c2)nc1 ZINC000035514825 182778646 /nfs/dbraw/zinc/77/86/46/182778646.db2.gz GDRHYUATHXCWAF-UHFFFAOYSA-N 0 0 324.399 4.508 50 0 DJAARN O=C(NCCC1=CCCCC1)c1ccc(-c2ccc(F)cc2)nc1 ZINC000035514759 182778739 /nfs/dbraw/zinc/77/87/39/182778739.db2.gz YYYAQYXSUSJFET-UHFFFAOYSA-N 0 0 324.399 4.508 50 0 DJAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1c(C)cccc1C ZINC000035671959 182785102 /nfs/dbraw/zinc/78/51/02/182785102.db2.gz MZQIPFBDERNGCA-UHFFFAOYSA-N 0 0 320.392 4.828 50 0 DJAARN Cc1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000036614372 182828480 /nfs/dbraw/zinc/82/84/80/182828480.db2.gz YKGRTDRBFQTMRP-UHFFFAOYSA-N 0 0 304.271 4.731 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000036621214 182830914 /nfs/dbraw/zinc/83/09/14/182830914.db2.gz IKJYYGLMXSVFQJ-GOSISDBHSA-N 0 0 312.388 4.812 50 0 DJAARN Fc1ccccc1CN(Cc1nc2ccccc2s1)C1CC1 ZINC000039992447 183027269 /nfs/dbraw/zinc/02/72/69/183027269.db2.gz NIGADEXYVJNPIN-UHFFFAOYSA-N 0 0 312.413 4.600 50 0 DJAARN Fc1ccc(CSc2nncc3ccccc32)c(Cl)c1 ZINC000040057583 183029802 /nfs/dbraw/zinc/02/98/02/183029802.db2.gz CFUJVHUFBCYEQI-UHFFFAOYSA-N 0 0 304.777 4.715 50 0 DJAARN CC[C@H](NC(=O)c1oc2c(cccc2F)c1C)c1cccs1 ZINC000039380279 183016995 /nfs/dbraw/zinc/01/69/95/183016995.db2.gz QYSGCZHEXUCPJC-ZDUSSCGKSA-N 0 0 317.385 4.823 50 0 DJAARN FC(F)(F)c1ccc2c(c1)C(c1ccccc1)=NCC(=S)N2 ZINC000039347086 183017135 /nfs/dbraw/zinc/01/71/35/183017135.db2.gz GKRGEAUFXFXNDI-UHFFFAOYSA-N 0 0 320.339 4.516 50 0 DJAARN Cc1ccccc1[C@H](C)NC(=O)c1[nH]c2ccccc2c1Cl ZINC000040144896 183040247 /nfs/dbraw/zinc/04/02/47/183040247.db2.gz QQHSDKILZFRKHA-LBPRGKRZSA-N 0 0 312.800 4.621 50 0 DJAARN c1coc(CN(Cc2ncc(-c3ccccc3)o2)C2CCCC2)c1 ZINC000040153638 183040735 /nfs/dbraw/zinc/04/07/35/183040735.db2.gz CKEVTBUYCZHJHB-UHFFFAOYSA-N 0 0 322.408 4.879 50 0 DJAARN O=C1C[C@H](c2ccccc2)c2snc(-c3ccccc3)c2N1 ZINC000040266353 183049438 /nfs/dbraw/zinc/04/94/38/183049438.db2.gz BTRKNCZLKIJZOA-CQSZACIVSA-N 0 0 306.390 4.934 50 0 DJAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2NCCC(C)C ZINC000040216955 183046564 /nfs/dbraw/zinc/04/65/64/183046564.db2.gz MUWXPUOFSMTWIW-UHFFFAOYSA-N 0 0 322.456 4.780 50 0 DJAARN CC[C@H](C)Cn1c(COc2cccc(OC)c2)nc2ccccc21 ZINC000040234503 183048360 /nfs/dbraw/zinc/04/83/60/183048360.db2.gz FKQYPUZUDSWSJT-HNNXBMFYSA-N 0 0 324.424 4.670 50 0 DJAARN CC(C)c1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000040097007 183034057 /nfs/dbraw/zinc/03/40/57/183034057.db2.gz UWSOTVGGILNGOX-UHFFFAOYSA-N 0 0 300.377 4.613 50 0 DJAARN CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1C ZINC000040096529 183034212 /nfs/dbraw/zinc/03/42/12/183034212.db2.gz DVRDCHOFZONPDA-UHFFFAOYSA-N 0 0 320.795 4.842 50 0 DJAARN Cc1cccc(NC(=O)N[C@H](C)c2cccc(Cl)c2)c1C ZINC000040095344 183034217 /nfs/dbraw/zinc/03/42/17/183034217.db2.gz IVCDLEDCLXOBQH-CYBMUJFWSA-N 0 0 302.805 4.840 50 0 DJAARN Cc1cc(C)c(NC(=O)NCCSc2ccccc2)c(C)c1 ZINC000040095782 183034309 /nfs/dbraw/zinc/03/43/09/183034309.db2.gz MHJISYZGOBSQCK-UHFFFAOYSA-N 0 0 314.454 4.526 50 0 DJAARN Cc1cc(C)cc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000040097775 183034896 /nfs/dbraw/zinc/03/48/96/183034896.db2.gz CWNZDQASRGECKC-ZDUSSCGKSA-N 0 0 318.367 4.807 50 0 DJAARN O=C(Nc1cc(Cl)ccc1F)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000040103863 183035745 /nfs/dbraw/zinc/03/57/45/183035745.db2.gz CSVBZOFXYSFTTA-RYUDHWBXSA-N 0 0 310.800 4.523 50 0 DJAARN CCCc1ccc([C@H](NC(=O)/C=C/c2ccccn2)C(C)C)cc1 ZINC000040119430 183037975 /nfs/dbraw/zinc/03/79/75/183037975.db2.gz LHSSDPOFYRYPOB-QZMUEMGWSA-N 0 0 322.452 4.561 50 0 DJAARN Cc1cc(Br)cc(Cl)c1NC(=O)C1CCCC1 ZINC000040134643 183039527 /nfs/dbraw/zinc/03/95/27/183039527.db2.gz LMWVSWODQXVZJL-UHFFFAOYSA-N 0 0 316.626 4.540 50 0 DJAARN Cc1ccc(-c2noc(-c3cc(Cl)nc4ccccc43)n2)cc1 ZINC000040478854 183076231 /nfs/dbraw/zinc/07/62/31/183076231.db2.gz MHNRGVNWVWHZMA-UHFFFAOYSA-N 0 0 321.767 4.914 50 0 DJAARN c1nc(CSc2nncc3ccccc32)oc1-c1ccccc1 ZINC000040494201 183080206 /nfs/dbraw/zinc/08/02/06/183080206.db2.gz YWFIPDLRUAXOMA-UHFFFAOYSA-N 0 0 319.389 4.577 50 0 DJAARN Cc1nc(C2=C(N)N([C@@H](C)CCCC(C)C)CC2=O)sc1C ZINC000102043830 193856586 /nfs/dbraw/zinc/85/65/86/193856586.db2.gz GHGWIQHHJVYNSY-NSHDSACASA-N 0 0 321.490 4.537 50 0 DJAARN CC(=O)c1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000042754769 183305162 /nfs/dbraw/zinc/30/51/62/183305162.db2.gz HVLVTAODSCUHQH-GFCCVEGCSA-N 0 0 322.364 4.518 50 0 DJAARN CCCCCCc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 ZINC000043209779 183344653 /nfs/dbraw/zinc/34/46/53/183344653.db2.gz JAQQPPLFTNKZSO-UHFFFAOYSA-N 0 0 324.420 4.966 50 0 DJAARN CCCCCOc1ccc(C(=O)CCCCC(=O)OCC)cc1 ZINC000043214341 183345015 /nfs/dbraw/zinc/34/50/15/183345015.db2.gz LPZAIGQJVFNORY-UHFFFAOYSA-N 0 0 320.429 4.562 50 0 DJAARN CCOC(=O)CCCCCCC(=O)c1ccc(F)cc1Cl ZINC000043214368 183345114 /nfs/dbraw/zinc/34/51/14/183345114.db2.gz CLGREYJAYVZIBN-UHFFFAOYSA-N 0 0 314.784 4.566 50 0 DJAARN Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(F)cc1 ZINC000043313569 183354508 /nfs/dbraw/zinc/35/45/08/183354508.db2.gz WSRPOMFDJSXJOB-UHFFFAOYSA-N 0 0 314.404 4.921 50 0 DJAARN CN(Cc1ccccc1)C(=O)Nc1ccccc1SC(F)F ZINC000043552846 183370749 /nfs/dbraw/zinc/37/07/49/183370749.db2.gz YQUMUVORULFHHG-UHFFFAOYSA-N 0 0 322.380 4.665 50 0 DJAARN FC(F)(F)c1ccc(-c2cccc(Br)n2)cc1 ZINC000044120211 183395055 /nfs/dbraw/zinc/39/50/55/183395055.db2.gz DRDUGYIPUFVJGO-UHFFFAOYSA-N 0 0 302.093 4.530 50 0 DJAARN Nc1cc(Cl)c(Oc2cccc(C(F)(F)F)n2)c(Cl)c1 ZINC000044676207 183431345 /nfs/dbraw/zinc/43/13/45/183431345.db2.gz CWQXGJBKVFMXOD-UHFFFAOYSA-N 0 0 323.101 4.782 50 0 DJAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2C)c1 ZINC000046018363 183543509 /nfs/dbraw/zinc/54/35/09/183543509.db2.gz PSZLQXGFBUTYLS-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN O=C(NCc1ccoc1)Nc1ccccc1SC1CCCC1 ZINC000047862080 183606322 /nfs/dbraw/zinc/60/63/22/183606322.db2.gz JMQISCBYCPSLFQ-UHFFFAOYSA-N 0 0 316.426 4.636 50 0 DJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000058163543 184083331 /nfs/dbraw/zinc/08/33/31/184083331.db2.gz CSBZYFUQJTVWPI-SFHVURJKSA-N 0 0 313.828 4.577 50 0 DJAARN Cc1c2ccccc2sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000058217932 184089701 /nfs/dbraw/zinc/08/97/01/184089701.db2.gz OJZCSBIJXKRWDW-HNNXBMFYSA-N 0 0 310.422 4.515 50 0 DJAARN O=C(Nc1ccc2[nH]ccc2c1)N1CCC[C@@H]1c1ccsc1 ZINC000058378218 184110114 /nfs/dbraw/zinc/11/01/14/184110114.db2.gz VRQKSLXZRGXQQB-MRXNPFEDSA-N 0 0 311.410 4.598 50 0 DJAARN COc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@@H](C)C2CC2)cc1 ZINC000058407723 184114072 /nfs/dbraw/zinc/11/40/72/184114072.db2.gz KEFOCRBITVFSDX-INIZCTEOSA-N 0 0 323.436 4.757 50 0 DJAARN Cc1nc(Cl)cc(N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000060372168 184147242 /nfs/dbraw/zinc/14/72/42/184147242.db2.gz CGFXHGRPAFBYOQ-SSDOTTSWSA-N 0 0 316.619 4.918 50 0 DJAARN Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC000059315515 184136873 /nfs/dbraw/zinc/13/68/73/184136873.db2.gz DQKURKRAILATEQ-ZDUSSCGKSA-N 0 0 318.376 4.714 50 0 DJAARN C[C@@H](Sc1n[nH]c(-c2cccs2)n1)c1ccc(F)cc1F ZINC000059927703 184142545 /nfs/dbraw/zinc/14/25/45/184142545.db2.gz KQLAODHOFCWCKD-MRVPVSSYSA-N 0 0 323.393 4.665 50 0 DJAARN C[C@@H](c1ccco1)N(C(=O)c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000060017527 184143197 /nfs/dbraw/zinc/14/31/97/184143197.db2.gz NAHCGRHPTDBUMK-JTQLQIEISA-N 0 0 324.207 4.952 50 0 DJAARN CCc1ccsc1C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000060110837 184144357 /nfs/dbraw/zinc/14/43/57/184144357.db2.gz PHPDZNALAATUOS-AWEZNQCLSA-N 0 0 315.482 4.797 50 0 DJAARN CCC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2O)CC1 ZINC000061306982 184168066 /nfs/dbraw/zinc/16/80/66/184168066.db2.gz ULPVEGSZPHJSSR-OAHLLOKOSA-N 0 0 311.425 4.588 50 0 DJAARN CC[C@H](C)NC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472470 184298114 /nfs/dbraw/zinc/29/81/14/184298114.db2.gz XJRFNLBBLGJYJV-AWEZNQCLSA-N 0 0 324.449 4.734 50 0 DJAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000064579797 184300601 /nfs/dbraw/zinc/30/06/01/184300601.db2.gz FKJFOROCDROKON-GOSISDBHSA-N 0 0 313.828 4.636 50 0 DJAARN Cc1ccc(Nc2ncnc3c(-c4ccccc4)noc32)cc1C ZINC000064820844 184303728 /nfs/dbraw/zinc/30/37/28/184303728.db2.gz 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/nfs/dbraw/zinc/34/01/32/184340132.db2.gz TVLFTKHXMABDBY-HNNXBMFYSA-N 0 0 320.440 4.600 50 0 DJAARN Cc1nc([C@@H](C)N(C)Cc2ccnc3ccccc23)c(C)s1 ZINC000065530437 184361202 /nfs/dbraw/zinc/36/12/02/184361202.db2.gz RUYJVMWZRGPXHR-GFCCVEGCSA-N 0 0 311.454 4.501 50 0 DJAARN Cc1cccc(C2(NC(=O)c3ccccc3Cl)CCCC2)c1 ZINC000065587027 184369634 /nfs/dbraw/zinc/36/96/34/184369634.db2.gz STWSSPZWBQDOSM-UHFFFAOYSA-N 0 0 313.828 4.848 50 0 DJAARN Cc1ccc(C(=O)[O-])cc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000067676244 184478082 /nfs/dbraw/zinc/47/80/82/184478082.db2.gz XJFZHLLLLXESJD-INIZCTEOSA-N 0 0 323.436 4.907 50 0 DJAARN CCOP(=O)(Cc1ccc(-c2cccc(F)c2)cn1)OCC ZINC000114515529 194669480 /nfs/dbraw/zinc/66/94/80/194669480.db2.gz CPOPYWOLIYKTLP-UHFFFAOYSA-N 0 0 323.304 4.654 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc2ncccc2c1 ZINC000120461772 195171493 /nfs/dbraw/zinc/17/14/93/195171493.db2.gz ZUCNEAYQAKVZAD-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN FC(F)(F)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000000471239 256512970 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CC1CCN(c2ccc(-c3noc(-c4ccccc4)n3)cc2)CC1 ZINC000033255418 134686461 /nfs/dbraw/zinc/68/64/61/134686461.db2.gz GZOAARNMVACJTA-UHFFFAOYSA-N 0 0 319.408 4.640 50 0 DJAARN c1ccc2c(c1)[C@@H]1C[C@@H]1c1ccccc1[C@@H]2O[C@@H]1CCCCO1 ZINC000257346425 262517113 /nfs/dbraw/zinc/51/71/13/262517113.db2.gz FMUOOONUTKTPBM-MHTWAQMVSA-N 0 0 306.405 4.904 50 0 DJAARN COc1ccccc1NC(=O)Oc1ccccc1-c1ccccc1 ZINC000000398283 331462071 /nfs/dbraw/zinc/46/20/71/331462071.db2.gz BXFWKSXHLOFYDM-UHFFFAOYSA-N 0 0 319.360 4.973 50 0 DJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000000452404 331462501 /nfs/dbraw/zinc/46/25/01/331462501.db2.gz YNDYARGPZGMYQO-SNVBAGLBSA-N 0 0 309.793 4.598 50 0 DJAARN CC(C)c1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000004241852 331485399 /nfs/dbraw/zinc/48/53/99/331485399.db2.gz XUABJTFNELDHOT-UHFFFAOYSA-N 0 0 303.199 4.804 50 0 DJAARN COc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1F ZINC000018116165 331577283 /nfs/dbraw/zinc/57/72/83/331577283.db2.gz MNZMOEXZUQWASY-UHFFFAOYSA-N 0 0 301.361 4.518 50 0 DJAARN Cc1cc(C(=O)CSc2ccc3ccccc3n2)c(C)s1 ZINC000007370811 333004044 /nfs/dbraw/zinc/00/40/44/333004044.db2.gz WLERTVAOEYMKLW-UHFFFAOYSA-N 0 0 313.447 4.888 50 0 DJAARN C=Cc1ccc(-c2ccc(C(=O)N3CCC(C)(C)[C@H]3C)cc2)nc1 ZINC000534646443 334306329 /nfs/dbraw/zinc/30/63/29/334306329.db2.gz ICTQQYYFVAYHCL-OAHLLOKOSA-N 0 0 320.436 4.652 50 0 DJAARN COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000097756913 563541757 /nfs/dbraw/zinc/54/17/57/563541757.db2.gz ZQZLTNHHTCWOLD-UHFFFAOYSA-N 0 0 314.690 4.812 50 0 DJAARN Cc1ccc(-n2ncnc2-c2cccc(Cl)c2)cc1Cl ZINC000000180915 563575633 /nfs/dbraw/zinc/57/56/33/563575633.db2.gz UZGINVKUOCGGPP-UHFFFAOYSA-N 0 0 304.180 4.550 50 0 DJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2cc(C)sc2C)C1(C)C ZINC000107331310 563683365 /nfs/dbraw/zinc/68/33/65/563683365.db2.gz QBLSXGGHBRAKSY-WQVCFCJDSA-N 0 0 305.487 4.781 50 0 DJAARN CC(=O)c1ccc(Cl)c(NC(=O)NCCC2=CCCCC2)c1 ZINC000083843710 563812735 /nfs/dbraw/zinc/81/27/35/563812735.db2.gz YMMQRDHSBOGWLJ-UHFFFAOYSA-N 0 0 320.820 4.555 50 0 DJAARN Cc1nn2c(nc(C)cc2C)c1-c1ccc(Cl)cc1Cl ZINC000009340516 563955410 /nfs/dbraw/zinc/95/54/10/563955410.db2.gz ABHYKIUKWHEVKB-UHFFFAOYSA-N 0 0 306.196 4.628 50 0 DJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2ccccc2o1 ZINC000000145110 563223918 /nfs/dbraw/zinc/22/39/18/563223918.db2.gz LRGVTDCWZGQYRR-UHFFFAOYSA-N 0 0 306.148 4.992 50 0 DJAARN CC(C)Oc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000310092 563238989 /nfs/dbraw/zinc/23/89/89/563238989.db2.gz SAEGIKSCDNYQPZ-UHFFFAOYSA-N 0 0 307.752 4.519 50 0 DJAARN COc1ccccc1O[P@](C)(=O)Nc1ccc(C)cc1C ZINC000000326165 563241520 /nfs/dbraw/zinc/24/15/20/563241520.db2.gz QIQFVNQOBMKIGY-NRFANRHFSA-N 0 0 305.314 4.626 50 0 DJAARN CSc1ccc(CCC(=O)c2ccc(SC)cc2)cc1 ZINC000002516655 563306888 /nfs/dbraw/zinc/30/68/88/563306888.db2.gz NVKJIXLJQWBJTN-UHFFFAOYSA-N 0 0 302.464 4.946 50 0 DJAARN CC(C)(C)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2)no1 ZINC000012381606 563367722 /nfs/dbraw/zinc/36/77/22/563367722.db2.gz GVRXUVATVJNZCY-UHFFFAOYSA-N 0 0 313.184 4.531 50 0 DJAARN O=C(C[C@H]1C=CCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000020005693 563416156 /nfs/dbraw/zinc/41/61/56/563416156.db2.gz DGCRZWQIRANKJE-NSHDSACASA-N 0 0 318.829 4.758 50 0 DJAARN CCCc1nnc(SCc2sc3ccccc3c2Cl)[nH]1 ZINC000032907147 563411062 /nfs/dbraw/zinc/41/10/62/563411062.db2.gz SPSUXCIQEVCORT-UHFFFAOYSA-N 0 0 323.874 4.918 50 0 DJAARN COc1ccc2c(c1)sc(C(=O)NC1CCCCC1)c2Cl ZINC000000038569 563211535 /nfs/dbraw/zinc/21/15/35/563211535.db2.gz RIPWAJCBMXIRRW-UHFFFAOYSA-N 0 0 323.845 4.626 50 0 DJAARN COc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000000042195 563211547 /nfs/dbraw/zinc/21/15/47/563211547.db2.gz BPIGPCJKLGWVEJ-UHFFFAOYSA-N 0 0 317.797 4.816 50 0 DJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl ZINC000000259052 563233974 /nfs/dbraw/zinc/23/39/74/563233974.db2.gz WGSDMWOUHAIVJM-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1ccc(NC(=O)c2ccccc2Cl)c(Br)c1 ZINC000000037866 563211332 /nfs/dbraw/zinc/21/13/32/563211332.db2.gz SPIIUOWUQFTHRC-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN CC1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000000038240 563211382 /nfs/dbraw/zinc/21/13/82/563211382.db2.gz LGHDDAZTYXWPNN-UHFFFAOYSA-N 0 0 309.438 4.595 50 0 DJAARN CCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000038974 563211586 /nfs/dbraw/zinc/21/15/86/563211586.db2.gz IVQXRBQFZQYBHO-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000000042847 563211741 /nfs/dbraw/zinc/21/17/41/563211741.db2.gz UGJQTLCKTCHRMH-BXUZGUMPSA-N 0 0 312.240 4.833 50 0 DJAARN CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3N=C2c2ccccc2)C1 ZINC000000045096 563211765 /nfs/dbraw/zinc/21/17/65/563211765.db2.gz OXAYDUKWGBXDRS-LJQANCHMSA-N 0 0 316.404 4.899 50 0 DJAARN CCN(CC)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000060762 563212193 /nfs/dbraw/zinc/21/21/93/563212193.db2.gz KRXDZUZTPFYUIA-UHFFFAOYSA-N 0 0 320.795 4.578 50 0 DJAARN Cc1c2cc(Br)ccc2oc(=O)c1-c1ccccc1 ZINC000000057971 563212255 /nfs/dbraw/zinc/21/22/55/563212255.db2.gz PYAQFABYITYCQM-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 DJAARN Cc1nc(SCc2ccc(Cl)cc2)nc2ccccc12 ZINC000000069394 563212809 /nfs/dbraw/zinc/21/28/09/563212809.db2.gz JSHBWRNKYXHTMV-UHFFFAOYSA-N 0 0 300.814 4.884 50 0 DJAARN Cc1cccc2c1N(C(=S)Nc1ccccc1Cl)CCC2 ZINC000000067411 563212819 /nfs/dbraw/zinc/21/28/19/563212819.db2.gz SPZONVFTRMLCCV-UHFFFAOYSA-N 0 0 316.857 4.798 50 0 DJAARN Cc1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000075336 563213924 /nfs/dbraw/zinc/21/39/24/563213924.db2.gz YGVSITNXBOVTTQ-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 aggregator DJAARN Cc1ccccc1-c1nc2sc(-c3ccccc3)cc2c(=O)o1 ZINC000000090203 563215191 /nfs/dbraw/zinc/21/51/91/563215191.db2.gz PXDLXVAAPAROKK-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN CCc1cccc(CC)c1NC(=S)Nc1ccccc1OC ZINC000000093877 563215699 /nfs/dbraw/zinc/21/56/99/563215699.db2.gz XWXUSYZMNNJLRP-UHFFFAOYSA-N 0 0 314.454 4.629 50 0 DJAARN COc1ccc(-c2cc(=O)oc3c(C)c4occ(C)c4cc23)cc1 ZINC000000095310 563216565 /nfs/dbraw/zinc/21/65/65/563216565.db2.gz XAMPSLQPWGFHRV-UHFFFAOYSA-N 0 0 320.344 4.832 50 0 biogenic DJAARN c1ccc(Sc2c(-c3ccccc3)nc3ncccn32)cc1 ZINC000000101562 563217098 /nfs/dbraw/zinc/21/70/98/563217098.db2.gz YVLYGNRANKNEAD-UHFFFAOYSA-N 0 0 303.390 4.548 50 0 DJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1 ZINC000000103184 563217665 /nfs/dbraw/zinc/21/76/65/563217665.db2.gz KOMGTTCJFZKXIR-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN c1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000000104917 563217674 /nfs/dbraw/zinc/21/76/74/563217674.db2.gz MVNLXJNSWDXOJV-UHFFFAOYSA-N 0 0 314.388 4.664 50 0 DJAARN C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000106505 563218241 /nfs/dbraw/zinc/21/82/41/563218241.db2.gz JHHFBOCTYIVIIF-JTQLQIEISA-N 0 0 309.196 4.876 50 0 DJAARN O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccs1 ZINC000000111941 563218510 /nfs/dbraw/zinc/21/85/10/563218510.db2.gz ZJLMONBHXISGOI-UHFFFAOYSA-N 0 0 321.707 4.552 50 0 DJAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1 ZINC000000112101 563218590 /nfs/dbraw/zinc/21/85/90/563218590.db2.gz YGXMCANWSJEZAZ-UHFFFAOYSA-N 0 0 309.390 4.676 50 0 DJAARN COc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000000111500 563218827 /nfs/dbraw/zinc/21/88/27/563218827.db2.gz FLIWQURPNUSETL-OAHLLOKOSA-N 0 0 311.425 4.636 50 0 DJAARN Cc1cc(C)c(NC(=O)COc2ccc(C(C)C)cc2)c(C)c1 ZINC000000121211 563220522 /nfs/dbraw/zinc/22/05/22/563220522.db2.gz HMKSYPXMVABKAD-UHFFFAOYSA-N 0 0 311.425 4.753 50 0 DJAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C)cc1 ZINC000000122272 563220660 /nfs/dbraw/zinc/22/06/60/563220660.db2.gz FZWZFNMRHHOZJW-UHFFFAOYSA-N 0 0 320.392 4.772 50 0 DJAARN CC1(C)C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1(C)C ZINC000000126444 563221170 /nfs/dbraw/zinc/22/11/70/563221170.db2.gz ITNPDGMCFCYOHQ-UHFFFAOYSA-N 0 0 319.754 4.980 50 0 DJAARN O=C(Nc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000000128637 563221175 /nfs/dbraw/zinc/22/11/75/563221175.db2.gz DUYWOVIZBIZDTQ-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1C ZINC000000129794 563221718 /nfs/dbraw/zinc/22/17/18/563221718.db2.gz ROSJERVQYDABFM-AWEZNQCLSA-N 0 0 317.816 4.671 50 0 DJAARN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1cccs1 ZINC000000149542 563224640 /nfs/dbraw/zinc/22/46/40/563224640.db2.gz KMYWYHQSIYYQKF-UHFFFAOYSA-N 0 0 322.385 4.507 50 0 DJAARN Cc1ccsc1CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000000147824 563224681 /nfs/dbraw/zinc/22/46/81/563224681.db2.gz RSEXUMNMLABKPG-UHFFFAOYSA-N 0 0 302.443 4.676 50 0 DJAARN Cc1cc(C)cc(NC(=O)Oc2ccccc2N2CCCCC2)c1 ZINC000000153030 563225107 /nfs/dbraw/zinc/22/51/07/563225107.db2.gz RBTZPKMTYLQNNY-UHFFFAOYSA-N 0 0 324.424 4.905 50 0 DJAARN Clc1ccccc1CSc1nnc(-c2cccs2)o1 ZINC000000157481 563225856 /nfs/dbraw/zinc/22/58/56/563225856.db2.gz YAYXTKCSBNFIMV-UHFFFAOYSA-N 0 0 308.815 4.744 50 0 DJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000000166392 563226323 /nfs/dbraw/zinc/22/63/23/563226323.db2.gz XCHKZJIORISFPI-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN O=C(NCCc1ccc(Cl)cc1)c1cc2ccccc2s1 ZINC000000167471 563226468 /nfs/dbraw/zinc/22/64/68/563226468.db2.gz ACHIUDQZIFSKGX-UHFFFAOYSA-N 0 0 315.825 4.527 50 0 DJAARN CCCn1c2ccccc2nc1[C@H](O)c1ccc(C(C)C)cc1 ZINC000000170098 563226811 /nfs/dbraw/zinc/22/68/11/563226811.db2.gz HYKSZICEIDZNMX-LJQANCHMSA-N 0 0 308.425 4.651 50 0 DJAARN O=C(Nc1cccc(Cl)c1)O[C@@H]1CCCCc2cccnc21 ZINC000000172552 563227315 /nfs/dbraw/zinc/22/73/15/563227315.db2.gz ZOWODTCBBJTMLD-OAHLLOKOSA-N 0 0 316.788 4.751 50 0 DJAARN O=C(Oc1cccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000000177910 563227807 /nfs/dbraw/zinc/22/78/07/563227807.db2.gz KRYZOHRJTWZSBV-UHFFFAOYSA-N 0 0 318.159 4.761 50 0 DJAARN CCCN(CCC)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000000182616 563228458 /nfs/dbraw/zinc/22/84/58/563228458.db2.gz QJRIBTPGEWPZOG-UHFFFAOYSA-N 0 0 309.409 4.573 50 0 DJAARN Cc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1 ZINC000000195490 563229839 /nfs/dbraw/zinc/22/98/39/563229839.db2.gz GANFPGQNSBLOOO-UHFFFAOYSA-N 0 0 304.393 4.613 50 0 DJAARN COc1ccc(C(=C(Cl)Cl)c2ccc(OC)cc2)cc1 ZINC000000240998 563232778 /nfs/dbraw/zinc/23/27/78/563232778.db2.gz YCRYSVKEWAWTGI-UHFFFAOYSA-N 0 0 309.192 4.898 50 0 in-vitro DJAARN CCc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000239288 563232975 /nfs/dbraw/zinc/23/29/75/563232975.db2.gz BRTJCIPXWVGTDW-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN CCN(CC)c1ccc(Nc2nc(-c3ccncc3)cs2)cc1 ZINC000000246742 563233627 /nfs/dbraw/zinc/23/36/27/563233627.db2.gz CQPYTRZGOUSYKS-UHFFFAOYSA-N 0 0 324.453 4.795 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1ccc(Br)cc1 ZINC000000258584 563234007 /nfs/dbraw/zinc/23/40/07/563234007.db2.gz LGHWSUCRAXUSOI-UHFFFAOYSA-N 0 0 318.214 4.572 50 0 DJAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1 ZINC000000267864 563234575 /nfs/dbraw/zinc/23/45/75/563234575.db2.gz GYVNXQFOPMKZKX-UHFFFAOYSA-N 0 0 322.408 4.929 50 0 DJAARN CCN(C(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000000271880 563235289 /nfs/dbraw/zinc/23/52/89/563235289.db2.gz QCDYBNODDGSVFL-UHFFFAOYSA-N 0 0 300.229 4.788 50 0 DJAARN Brc1ccccc1-c1ccccc1Br ZINC000000281109 563235436 /nfs/dbraw/zinc/23/54/36/563235436.db2.gz DRKHIWKXLZCAKP-UHFFFAOYSA-N 0 0 312.004 4.879 50 0 DJAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1C ZINC000000284578 563236079 /nfs/dbraw/zinc/23/60/79/563236079.db2.gz NSFRSDOTZAOKFM-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1C[C@@H]1c1ccccc1 ZINC000000292836 563236556 /nfs/dbraw/zinc/23/65/56/563236556.db2.gz PMVVYVDLBPTMTH-OLZOCXBDSA-N 0 0 306.192 4.736 50 0 DJAARN COc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000000290824 563236614 /nfs/dbraw/zinc/23/66/14/563236614.db2.gz CHJIRYRJQXOZGL-UHFFFAOYSA-N 0 0 315.372 4.519 50 0 DJAARN COc1ccc([C@]2(C)CC(C)(C)N(C(C)=O)c3ccccc32)cc1 ZINC000000296291 563237401 /nfs/dbraw/zinc/23/74/01/563237401.db2.gz VOECUKHOMGRCMC-NRFANRHFSA-N 0 0 323.436 4.536 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccc(C)cc2C)cc1C ZINC000000302040 563237770 /nfs/dbraw/zinc/23/77/70/563237770.db2.gz FYQVRJVTBVXETQ-UHFFFAOYSA-N 0 0 311.425 4.582 50 0 DJAARN C[C@@H](CCc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000000303792 563238067 /nfs/dbraw/zinc/23/80/67/563238067.db2.gz OXKLIOGHNBUBOQ-LBPRGKRZSA-N 0 0 322.235 4.745 50 0 DJAARN Cc1c(C)c(=O)oc2c(C)c(O[C@H](C)c3ccccc3)ccc12 ZINC000000307103 563238241 /nfs/dbraw/zinc/23/82/41/563238241.db2.gz YBHQIRWJMQNGKC-OAHLLOKOSA-N 0 0 308.377 4.858 50 0 DJAARN CCc1cc(=O)oc2c(C)c(O[C@H](C)c3ccccc3)ccc12 ZINC000000306088 563238259 /nfs/dbraw/zinc/23/82/59/563238259.db2.gz RABXXUGGHDODMY-CQSZACIVSA-N 0 0 308.377 4.804 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000000311115 563239601 /nfs/dbraw/zinc/23/96/01/563239601.db2.gz DUKIRRZTADZMLL-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1Cl ZINC000000310491 563239772 /nfs/dbraw/zinc/23/97/72/563239772.db2.gz GQZILALHGOHPPV-UHFFFAOYSA-N 0 0 317.816 4.862 50 0 DJAARN COc1ccccc1-c1nc2ccccc2nc1-c1ccccc1 ZINC000000315588 563240117 /nfs/dbraw/zinc/24/01/17/563240117.db2.gz GRHHTAWTWPMOCU-UHFFFAOYSA-N 0 0 312.372 4.972 50 0 DJAARN O=c1oc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000000313894 563240175 /nfs/dbraw/zinc/24/01/75/563240175.db2.gz APOODQXOPUHEDP-UHFFFAOYSA-N 0 0 311.387 4.645 50 0 DJAARN Cc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C ZINC000000318806 563240724 /nfs/dbraw/zinc/24/07/24/563240724.db2.gz VPPQAUGPHQQOTJ-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN CCOc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000000319016 563240805 /nfs/dbraw/zinc/24/08/05/563240805.db2.gz MAZONRWISDWOIA-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000000319078 563240851 /nfs/dbraw/zinc/24/08/51/563240851.db2.gz ROERBWVLEHUFQO-UHFFFAOYSA-N 0 0 317.816 4.789 50 0 DJAARN COc1cc2ccccc2cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000000317233 563240904 /nfs/dbraw/zinc/24/09/04/563240904.db2.gz BYMKTUHSECKRIW-UHFFFAOYSA-N 0 0 305.377 4.718 50 0 DJAARN Cc1cc(OCc2nc(-c3ccccc3)no2)cc(C)c1Cl ZINC000000341363 563242167 /nfs/dbraw/zinc/24/21/67/563242167.db2.gz NCZBIPCEWWLQHG-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN CSc1ccc(Sc2ccc(F)cc2C[NH+](C)C)cc1 ZINC000000347226 563242638 /nfs/dbraw/zinc/24/26/38/563242638.db2.gz IGZPJLCMIHDMGK-UHFFFAOYSA-N 0 0 307.459 4.760 50 0 DJAARN COC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc21 ZINC000000355295 563243671 /nfs/dbraw/zinc/24/36/71/563243671.db2.gz KODTZRYYQHGGCJ-UHFFFAOYSA-N 0 0 305.377 4.812 50 0 DJAARN CC(=O)c1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000359022 563244302 /nfs/dbraw/zinc/24/43/02/563244302.db2.gz PJCWUBUQMIDGOD-UHFFFAOYSA-N 0 0 316.356 4.775 50 0 DJAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000361908 563244649 /nfs/dbraw/zinc/24/46/49/563244649.db2.gz BVAMCTDADVJYBN-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN Cc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000000361875 563244658 /nfs/dbraw/zinc/24/46/58/563244658.db2.gz WMUVPHMJFLBVKB-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(Br)cc1 ZINC000000361642 563244847 /nfs/dbraw/zinc/24/48/47/563244847.db2.gz ZTXRTCZAUXHAAD-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000000364589 563245225 /nfs/dbraw/zinc/24/52/25/563245225.db2.gz PGRDWFJTMKLKIB-OAHLLOKOSA-N 0 0 305.377 4.554 50 0 DJAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000000365474 563245923 /nfs/dbraw/zinc/24/59/23/563245923.db2.gz BPMTZIMTKSFXHA-UHFFFAOYSA-N 0 0 324.424 4.622 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1csc2c1CCCC2 ZINC000000371672 563246503 /nfs/dbraw/zinc/24/65/03/563246503.db2.gz NLFXLQBBLOLTHU-UHFFFAOYSA-N 0 0 305.830 4.841 50 0 DJAARN Fc1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000000385518 563248756 /nfs/dbraw/zinc/24/87/56/563248756.db2.gz AHVPKPVHWQGVRV-UHFFFAOYSA-N 0 0 308.234 4.562 50 0 DJAARN Cc1nc(Cl)sc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000000385248 563248820 /nfs/dbraw/zinc/24/88/20/563248820.db2.gz BXKKCLOTAHWJKM-UHFFFAOYSA-N 0 0 308.834 4.655 50 0 DJAARN Cc1nc(-c2ccc(NC(=O)C3CCCCC3)cc2)cs1 ZINC000000387112 563249144 /nfs/dbraw/zinc/24/91/44/563249144.db2.gz YAJLTBSGIJMGEV-UHFFFAOYSA-N 0 0 300.427 4.637 50 0 DJAARN CC(C)(C)C(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 ZINC000000387749 563249235 /nfs/dbraw/zinc/24/92/35/563249235.db2.gz HQOQXAQDRNYEBI-UHFFFAOYSA-N 0 0 304.393 4.903 50 0 DJAARN 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O=C(CCc1ccccc1)Oc1ccc(-c2ccccc2)cc1 ZINC000001120221 563277998 /nfs/dbraw/zinc/27/79/98/563277998.db2.gz MVWUPRQPAKZDTD-UHFFFAOYSA-N 0 0 302.373 4.892 50 0 DJAARN O=C(Nc1ccccc1)C1C(c2ccccc2)=C1c1ccccc1 ZINC000001231985 563279917 /nfs/dbraw/zinc/27/99/17/563279917.db2.gz LPMRLYJAEUZIGU-UHFFFAOYSA-N 0 0 311.384 4.866 50 0 DJAARN O=C(c1cnc(Nc2ccccc2Cl)s1)c1ccccc1 ZINC000001399955 563282643 /nfs/dbraw/zinc/28/26/43/563282643.db2.gz YRYIUNPJGDKLTP-UHFFFAOYSA-N 0 0 314.797 4.771 50 0 DJAARN O[C@H](Cc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000001494994 563284677 /nfs/dbraw/zinc/28/46/77/563284677.db2.gz DGRBZNRHQQJHDE-QGZVFWFLSA-N 0 0 317.310 4.530 50 0 DJAARN CC(C)(C)SC(=S)SCC(=O)c1ccc(F)cc1 ZINC000001590854 563286868 /nfs/dbraw/zinc/28/68/68/563286868.db2.gz JFKVIRFJVBJJLE-UHFFFAOYSA-N 0 0 302.461 4.558 50 0 DJAARN CC(=O)Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001724359 563293878 /nfs/dbraw/zinc/29/38/78/563293878.db2.gz XERUDOUWRFZUNN-UHFFFAOYSA-N 0 0 307.391 4.912 50 0 DJAARN Cc1ccc(OCCCC(=O)Nc2cccc3ccccc32)cc1 ZINC000001773404 563295170 /nfs/dbraw/zinc/29/51/70/563295170.db2.gz ILASEBXRIBOVBY-UHFFFAOYSA-N 0 0 319.404 4.946 50 0 DJAARN CCCCc1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000001781502 563295869 /nfs/dbraw/zinc/29/58/69/563295869.db2.gz VOSHLARSHLAIMJ-UHFFFAOYSA-N 0 0 317.816 4.700 50 0 DJAARN O=Cc1cn(CCCOc2ccccc2Cl)c2ccccc12 ZINC000002028138 563298281 /nfs/dbraw/zinc/29/82/81/563298281.db2.gz UANWJMDZIGCDTR-UHFFFAOYSA-N 0 0 313.784 4.576 50 0 DJAARN O=C(n1c2ccccc2c2ccccc21)C(Cl)(Cl)Cl ZINC000002025206 563298493 /nfs/dbraw/zinc/29/84/93/563298493.db2.gz RHDGNVWLZMMJPK-UHFFFAOYSA-N 0 0 312.583 4.805 50 0 DJAARN Brc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000002023747 563298647 /nfs/dbraw/zinc/29/86/47/563298647.db2.gz GPGIIKKUKINTGW-UHFFFAOYSA-N 0 0 311.182 4.573 50 0 DJAARN CCCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCC)c1 ZINC000002073565 563299580 /nfs/dbraw/zinc/29/95/80/563299580.db2.gz FEDKQNMREJCGIW-UHFFFAOYSA-N 0 0 310.825 4.597 50 0 DJAARN CC(C)c1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1 ZINC000002086203 563299770 /nfs/dbraw/zinc/29/97/70/563299770.db2.gz SJWAWVYRVXKMHU-SDNWHVSQSA-N 0 0 305.421 4.803 50 0 DJAARN Cc1nn2c(nc(C(C)C)cc2NCC(C)C)c1-c1ccccc1 ZINC000002196811 563301461 /nfs/dbraw/zinc/30/14/61/563301461.db2.gz GPXCUXMQSQUPRC-UHFFFAOYSA-N 0 0 322.456 4.896 50 0 DJAARN CCCCc1nc2ccccc2n1CCCOc1ccccc1 ZINC000002202173 563301730 /nfs/dbraw/zinc/30/17/30/563301730.db2.gz NTFWNVTXUVTHQA-UHFFFAOYSA-N 0 0 308.425 4.848 50 0 DJAARN Cc1nn2c(nc(C)cc2Nc2ccccc2)c1-c1ccccc1 ZINC000002209586 563302325 /nfs/dbraw/zinc/30/23/25/563302325.db2.gz XLXFOGKNKCMKAA-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN O=Cc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1 ZINC000002387301 563302797 /nfs/dbraw/zinc/30/27/97/563302797.db2.gz YAEGPDBHSBKYRW-UHFFFAOYSA-N 0 0 304.417 4.830 50 0 DJAARN CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21 ZINC000002434818 563303596 /nfs/dbraw/zinc/30/35/96/563303596.db2.gz DKOWSOMMUFZILP-UHFFFAOYSA-N 0 0 316.408 4.837 50 0 DJAARN COCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000002459661 563303773 /nfs/dbraw/zinc/30/37/73/563303773.db2.gz QYFAQTOSYIMRRG-UHFFFAOYSA-N 0 0 308.425 4.529 50 0 DJAARN CCCCCC[C@@H](C)NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002481393 563304275 /nfs/dbraw/zinc/30/42/75/563304275.db2.gz MZIRWRKFALIQRG-CQSZACIVSA-N 0 0 314.429 4.739 50 0 DJAARN Cc1cc(C)cc(C(=O)CCc2ccc(Br)cc2)c1 ZINC000002516770 563306616 /nfs/dbraw/zinc/30/66/16/563306616.db2.gz NCDGUIULJQDWGB-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN COc1ccccc1CCC(=O)c1ccccc1C(F)(F)F ZINC000002516472 563306551 /nfs/dbraw/zinc/30/65/51/563306551.db2.gz QSMXQJYOHICGLI-UHFFFAOYSA-N 0 0 308.299 4.530 50 0 DJAARN COc1ccccc1CCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000002516483 563306558 /nfs/dbraw/zinc/30/65/58/563306558.db2.gz QURMTIUAUKDCDV-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN Cc1ccc(C)c(C(=O)CCc2ccc(Br)cc2)c1 ZINC000002516767 563306714 /nfs/dbraw/zinc/30/67/14/563306714.db2.gz HVJCPTBAPNFBIP-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN Cc1ccc(C)c(CCC(=O)c2ccc(Br)cc2)c1 ZINC000002517539 563307276 /nfs/dbraw/zinc/30/72/76/563307276.db2.gz CGPLCVDGDPGJCC-UHFFFAOYSA-N 0 0 317.226 4.881 50 0 DJAARN CCCCCCc1ccc(C(=O)CCC2OCCCO2)cc1 ZINC000002581232 563310549 /nfs/dbraw/zinc/31/05/49/563310549.db2.gz PEMJPIBWMIRGKA-UHFFFAOYSA-N 0 0 304.430 4.535 50 0 DJAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1nccs1)c1ccncc1 ZINC000002610356 563310799 /nfs/dbraw/zinc/31/07/99/563310799.db2.gz ZHSXKDYZIMWDFM-KRWDZBQOSA-N 0 0 320.421 4.529 50 0 DJAARN CCCC[C@H](CC)CNC(=O)/C=C/c1c(F)cccc1Cl ZINC000002739835 563311778 /nfs/dbraw/zinc/31/17/78/563311778.db2.gz YWYILLIUDQFGTR-NHAQELONSA-N 0 0 311.828 4.825 50 0 DJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(F)c1 ZINC000002790519 563312957 /nfs/dbraw/zinc/31/29/57/563312957.db2.gz JHZZTHPBZQVNKB-UHFFFAOYSA-N 0 0 321.779 4.585 50 0 DJAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(C)c(C)cc21 ZINC000002788552 563313150 /nfs/dbraw/zinc/31/31/50/563313150.db2.gz GYTGLJOELJVATL-KRWDZBQOSA-N 0 0 323.436 4.956 50 0 DJAARN O=C(NCCCCc1ccccc1)c1c(Cl)cccc1Cl ZINC000002774346 563313177 /nfs/dbraw/zinc/31/31/77/563313177.db2.gz HZZUPKOWVLUBES-UHFFFAOYSA-N 0 0 322.235 4.746 50 0 DJAARN CCCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002810341 563313510 /nfs/dbraw/zinc/31/35/10/563313510.db2.gz VIZYJPJZVZSAKH-UHFFFAOYSA-N 0 0 322.404 4.789 50 0 DJAARN Cc1ccc(SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002817096 563313804 /nfs/dbraw/zinc/31/38/04/563313804.db2.gz UFVIUGRKICNBGE-UHFFFAOYSA-N 0 0 309.793 4.518 50 0 DJAARN O=C(c1cn(CCCOc2ccccc2)c2ccccc12)C1CC1 ZINC000002849338 563314858 /nfs/dbraw/zinc/31/48/58/563314858.db2.gz YPEZTPRMMHQATC-UHFFFAOYSA-N 0 0 319.404 4.703 50 0 DJAARN C/C=C/c1ccc(OCCCn2cnc3ccccc32)c(OC)c1 ZINC000002868333 563315712 /nfs/dbraw/zinc/31/57/12/563315712.db2.gz MLXYJJRTJNNISX-XVNBXDOJSA-N 0 0 322.408 4.547 50 0 DJAARN Cc1n[nH]c(C)c1CCCCCCOc1ccc(C)cc1C ZINC000002885634 563316707 /nfs/dbraw/zinc/31/67/07/563316707.db2.gz WNGVKIBMBDUXDL-UHFFFAOYSA-N 0 0 300.446 4.825 50 0 DJAARN Cc1cc(OCCCCCCn2ccnc2)cc(C)c1Cl ZINC000002903735 563317447 /nfs/dbraw/zinc/31/74/47/563317447.db2.gz FEWIQOGQTZHAHC-UHFFFAOYSA-N 0 0 306.837 4.793 50 0 DJAARN COc1ccc(OCCCCOc2cccc(Cl)c2)cc1 ZINC000002904723 563317584 /nfs/dbraw/zinc/31/75/84/563317584.db2.gz DNQJCSYHDAEPML-UHFFFAOYSA-N 0 0 306.789 4.587 50 0 DJAARN Cc1cc(OCCSc2nc3ccccc3[nH]2)ccc1Cl ZINC000002983589 563318829 /nfs/dbraw/zinc/31/88/29/563318829.db2.gz HQEGSDNEDAMRKT-UHFFFAOYSA-N 0 0 318.829 4.696 50 0 DJAARN COc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000002990868 563319935 /nfs/dbraw/zinc/31/99/35/563319935.db2.gz FMPWOXWWPJKAKO-UHFFFAOYSA-N 0 0 318.372 4.602 50 0 DJAARN COc1cc(C)ccc1OCCCCOc1cccc(Cl)c1 ZINC000002987009 563319949 /nfs/dbraw/zinc/31/99/49/563319949.db2.gz UUZZUQPHHUWXBU-UHFFFAOYSA-N 0 0 320.816 4.895 50 0 DJAARN CC(C)CCC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002991731 563320074 /nfs/dbraw/zinc/32/00/74/563320074.db2.gz YVWDFVYPCVRMEG-LLVKDONJSA-N 0 0 302.245 4.938 50 0 DJAARN Cc1cccc(C)c1NC(=O)CSc1cccc2cccnc21 ZINC000003147950 563322519 /nfs/dbraw/zinc/32/25/19/563322519.db2.gz OHBTVQHFLRZAHF-UHFFFAOYSA-N 0 0 322.433 4.582 50 0 DJAARN C[C@@H](NC(=S)Nc1ccc(SC(F)F)cc1)C(C)(C)C ZINC000003187673 563322945 /nfs/dbraw/zinc/32/29/45/563322945.db2.gz RDIJRRGZZARMTJ-SECBINFHSA-N 0 0 318.458 4.722 50 0 DJAARN CCCCCOc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000003150682 563323316 /nfs/dbraw/zinc/32/33/16/563323316.db2.gz TWJVEXBVMRQDKS-UHFFFAOYSA-N 0 0 301.361 4.647 50 0 DJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)CC(C)(C)C ZINC000034794797 563323961 /nfs/dbraw/zinc/32/39/61/563323961.db2.gz APPPAJXOQCXCKY-UHFFFAOYSA-N 0 0 313.445 4.631 50 0 DJAARN Cc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C1CCCCC1 ZINC000034794740 563324045 /nfs/dbraw/zinc/32/40/45/563324045.db2.gz OFCQQTSJRRJZPV-UHFFFAOYSA-N 0 0 311.429 4.521 50 0 DJAARN Cc1ccc2occ(-c3cccc(OC(F)(F)F)c3)c(=O)c2c1 ZINC000034909598 563324594 /nfs/dbraw/zinc/32/45/94/563324594.db2.gz AZWMVAOLYPLDDL-UHFFFAOYSA-N 0 0 320.266 4.667 50 0 biogenic DJAARN CCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2cc(C)ccn21 ZINC000034912896 563325067 /nfs/dbraw/zinc/32/50/67/563325067.db2.gz IPRIPJINTCNZSN-UHFFFAOYSA-N 0 0 321.424 4.747 50 0 DJAARN C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004096295 563326550 /nfs/dbraw/zinc/32/65/50/563326550.db2.gz RWBRUCCWZPSBFC-PQFDIHQSSA-N 0 0 316.485 4.515 50 0 DJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 ZINC000004719597 563327382 /nfs/dbraw/zinc/32/73/82/563327382.db2.gz CPNYAYCFMQFKQS-HXUWFJFHSA-N 0 0 314.388 4.766 50 0 DJAARN CC(C)(C)c1ccc(CN2c3ccccc3SCC2=O)cc1 ZINC000005383873 563329525 /nfs/dbraw/zinc/32/95/25/563329525.db2.gz CXICTGSZXAFAGX-UHFFFAOYSA-N 0 0 311.450 4.623 50 0 DJAARN CCCSc1ccccc1C(=O)Nc1cc(C)ccc1OC ZINC000006728857 563333569 /nfs/dbraw/zinc/33/35/69/563333569.db2.gz FUVLCZJLFSSVHG-UHFFFAOYSA-N 0 0 315.438 4.758 50 0 DJAARN Fc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000007124813 563336552 /nfs/dbraw/zinc/33/65/52/563336552.db2.gz SEBIKGDLKJHENL-LJQANCHMSA-N 0 0 315.351 4.815 50 0 DJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 ZINC000584904472 563338627 /nfs/dbraw/zinc/33/86/27/563338627.db2.gz YKKQZNRTCYTFJV-TYNCELHUSA-N 0 0 310.224 4.924 50 0 DJAARN CC(C)c1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1 ZINC000007636175 563340223 /nfs/dbraw/zinc/34/02/23/563340223.db2.gz YKBVAFFJGCHVGS-UHFFFAOYSA-N 0 0 320.440 4.874 50 0 DJAARN Cc1ccc(C)c(-c2csc(=N)n2-c2ccc(Cl)cc2)c1 ZINC000008575977 563348040 /nfs/dbraw/zinc/34/80/40/563348040.db2.gz SZNVBRQZSUYUMK-UHFFFAOYSA-N 0 0 314.841 4.956 50 0 DJAARN O=[S@@](c1ccc(-c2ccccn2)s1)c1ccc(Cl)cc1 ZINC000008648385 563348795 /nfs/dbraw/zinc/34/87/95/563348795.db2.gz IGIUXQZLJCKGPY-FQEVSTJZSA-N 0 0 319.838 4.630 50 0 DJAARN FC(F)(F)c1ccc(-c2nnc(/C=C\c3ccccc3)o2)cc1 ZINC000097475138 563350851 /nfs/dbraw/zinc/35/08/51/563350851.db2.gz LUBRDPYFJLDWKL-WDZFZDKYSA-N 0 0 316.282 4.926 50 0 DJAARN O=C(Nc1cc(F)ccc1F)c1ccc(Cl)cc1Cl ZINC000015005385 563405435 /nfs/dbraw/zinc/40/54/35/563405435.db2.gz IXQRMWNPRPYNRS-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCCCC2)c1 ZINC000010287683 563355896 /nfs/dbraw/zinc/35/58/96/563355896.db2.gz JKSIVFNJQNWRPU-UHFFFAOYSA-N 0 0 322.836 4.597 50 0 DJAARN CCc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1ccccc1OC)N2 ZINC000584904498 563357997 /nfs/dbraw/zinc/35/79/97/563357997.db2.gz JSDGFFUVLZVHDB-ZLGUVYLKSA-N 0 0 323.436 4.892 50 0 DJAARN Cc1ccccc1-c1nnc(COc2ccc(Cl)cc2C)o1 ZINC000012137858 563362287 /nfs/dbraw/zinc/36/22/87/563362287.db2.gz JEAZGAFRTMUSHS-UHFFFAOYSA-N 0 0 314.772 4.586 50 0 DJAARN O=C1C[C@H](c2ccccc2OC2CCCC2)c2sccc2N1 ZINC000012375452 563367278 /nfs/dbraw/zinc/36/72/78/563367278.db2.gz WTEYTWGNORIWQU-CQSZACIVSA-N 0 0 313.422 4.544 50 0 DJAARN O=C1C[C@H](c2ccc(OC3CCCC3)cc2)c2sccc2N1 ZINC000012429141 563369312 /nfs/dbraw/zinc/36/93/12/563369312.db2.gz XUHWPSUEUDMTIA-OAHLLOKOSA-N 0 0 313.422 4.544 50 0 DJAARN CC[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032579201 563370902 /nfs/dbraw/zinc/37/09/02/563370902.db2.gz LUYYFLKELOGHLL-HNNXBMFYSA-N 0 0 322.330 4.978 50 0 DJAARN Cc1c2cc(C)ccc2oc1C(=O)NCc1cccc(Cl)c1 ZINC000012702253 563372499 /nfs/dbraw/zinc/37/24/99/563372499.db2.gz KWQLVMWNSQQRCK-UHFFFAOYSA-N 0 0 313.784 4.633 50 0 DJAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(F)ccc1F ZINC000012976946 563376198 /nfs/dbraw/zinc/37/61/98/563376198.db2.gz HRRMINJEABMOOH-UHFFFAOYSA-N 0 0 321.326 4.788 50 0 DJAARN Cc1ccc2[nH]c(SCCCOc3cccc(C)c3)nc2c1 ZINC000013063410 563377572 /nfs/dbraw/zinc/37/75/72/563377572.db2.gz UEFCHGVREMRYIW-UHFFFAOYSA-N 0 0 312.438 4.741 50 0 DJAARN CC(C)(C)c1ccc(C2N=NC(=S)N2Cc2ccccc2)cc1 ZINC000013115439 563378130 /nfs/dbraw/zinc/37/81/30/563378130.db2.gz CTFMUFVCYIHERI-UHFFFAOYSA-N 0 0 323.465 4.580 50 0 DJAARN CCn1c2ccccc2cc/c1=N\c1ccc2nc(C)sc2c1 ZINC000013286454 563379820 /nfs/dbraw/zinc/37/98/20/563379820.db2.gz CBPJLOJGMJAHSM-XUTLUUPISA-N 0 0 319.433 4.812 50 0 DJAARN CC[C@H](NC(=O)c1c(C)onc1-c1ccccc1)c1ccccc1 ZINC000013329194 563381114 /nfs/dbraw/zinc/38/11/14/563381114.db2.gz BRLVWBSYDYGVNC-KRWDZBQOSA-N 0 0 320.392 4.531 50 0 DJAARN CCCN(Cc1ccccc1)C(=S)Nc1cccc(C)c1C ZINC000013636126 563384494 /nfs/dbraw/zinc/38/44/94/563384494.db2.gz ROMRJAYEVSBOHA-UHFFFAOYSA-N 0 0 312.482 4.912 50 0 DJAARN CCN(Cc1cccs1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000032722437 563385041 /nfs/dbraw/zinc/38/50/41/563385041.db2.gz FHJAHKYZTYCBOB-UHFFFAOYSA-N 0 0 312.438 4.509 50 0 DJAARN CC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013811087 563389531 /nfs/dbraw/zinc/38/95/31/563389531.db2.gz RZDFPYZZSZSFRV-SJLPKXTDSA-N 0 0 312.800 4.620 50 0 DJAARN C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1cccs1 ZINC000032738180 563389637 /nfs/dbraw/zinc/38/96/37/563389637.db2.gz SCYDFGKVKARSGM-AWEZNQCLSA-N 0 0 315.482 4.856 50 0 DJAARN O=C(Nc1cccs1)N1CCS[C@H](c2cccs2)CC1 ZINC000219531070 563393512 /nfs/dbraw/zinc/39/35/12/563393512.db2.gz CQDBHARHIISDRA-LBPRGKRZSA-N 0 0 324.496 4.522 50 0 DJAARN COc1ccc(Cl)cc1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000014076562 563394746 /nfs/dbraw/zinc/39/47/46/563394746.db2.gz CSAFNVJSNYUDDF-UHFFFAOYSA-N 0 0 324.207 4.871 50 0 DJAARN Cc1ccc(CN(Cc2coc(-c3cccs3)n2)C2CC2)cc1 ZINC000032804202 563395318 /nfs/dbraw/zinc/39/53/18/563395318.db2.gz HZIJOXDHMPVTLY-UHFFFAOYSA-N 0 0 324.449 4.876 50 0 DJAARN CCCCC(=O)N1CC=C(c2c[nH]c3c2cccc3CC)CC1 ZINC000014084617 563395440 /nfs/dbraw/zinc/39/54/40/563395440.db2.gz UFDFNTXAPAFEDR-UHFFFAOYSA-N 0 0 310.441 4.536 50 0 DJAARN CN(Cc1ccsc1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000014163030 563397111 /nfs/dbraw/zinc/39/71/11/563397111.db2.gz SJQHFCLVVOYPDV-UHFFFAOYSA-N 0 0 321.445 4.616 50 0 DJAARN C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1cccs1 ZINC000014248454 563399532 /nfs/dbraw/zinc/39/95/32/563399532.db2.gz ZUNNRBHQVROXOX-NSHDSACASA-N 0 0 315.369 4.638 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(F)cc(F)c1 ZINC000014426990 563401066 /nfs/dbraw/zinc/40/10/66/563401066.db2.gz MJIZFKFUWTUGBY-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN Cc1ccc(C)c([C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000014573621 563401106 /nfs/dbraw/zinc/40/11/06/563401106.db2.gz BZCZFJPARQSWQF-NEFAXPCMSA-N 0 0 311.469 4.697 50 0 DJAARN CC(C)c1ccc(Oc2ccc(Br)cc2N)cc1 ZINC000014631023 563402181 /nfs/dbraw/zinc/40/21/81/563402181.db2.gz MITKRIRHKGKYIF-UHFFFAOYSA-N 0 0 306.203 4.947 50 0 DJAARN O=C(/C=C/c1cccc2cccnc12)OC/C=C/c1ccccc1 ZINC000014855071 563403669 /nfs/dbraw/zinc/40/36/69/563403669.db2.gz CMJHFVPVMFRMFB-BDXQXIFWSA-N 0 0 315.372 4.505 50 0 DJAARN Cc1sc(-c2ccccc2N)nc1-c1ccc(F)cc1F ZINC000032869547 563403830 /nfs/dbraw/zinc/40/38/30/563403830.db2.gz AYNCIDPJGMIYEA-UHFFFAOYSA-N 0 0 302.349 4.646 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003870175 563404868 /nfs/dbraw/zinc/40/48/68/563404868.db2.gz ORNBQBCIOKFOEO-QJSKAATBSA-N 0 0 316.485 4.515 50 0 biogenic,in-vivo DJAARN O=c1cc(C=Cc2ccc(C(F)(F)F)cc2)[nH]c2ccccc12 ZINC000015016942 563405416 /nfs/dbraw/zinc/40/54/16/563405416.db2.gz CFQJMSIJZRSPPM-JXMROGBWSA-N 0 0 315.294 4.717 50 0 DJAARN O=C(c1cc2cc(Br)ccc2o1)c1ccc(F)cc1 ZINC000015215852 563408463 /nfs/dbraw/zinc/40/84/63/563408463.db2.gz QCEBRSFCRASQEG-UHFFFAOYSA-N 0 0 319.129 4.565 50 0 DJAARN CN(Cc1cscn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000032893581 563409140 /nfs/dbraw/zinc/40/91/40/563409140.db2.gz DXPZHDBKVDSPKB-SFHVURJKSA-N 0 0 312.413 4.504 50 0 DJAARN Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(F)c1 ZINC000015314042 563409294 /nfs/dbraw/zinc/40/92/94/563409294.db2.gz LNWOZTIAEZEBRA-UHFFFAOYSA-N 0 0 319.379 4.905 50 0 DJAARN Cc1ccsc1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000032909741 563410769 /nfs/dbraw/zinc/41/07/69/563410769.db2.gz VDUMOMCLFUVLPF-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN COc1cccc(/C=C2\CC/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000000214682 563413418 /nfs/dbraw/zinc/41/34/18/563413418.db2.gz PVJQLZZXRRBHRK-MJZABRMRSA-N 0 0 320.388 4.534 50 0 DJAARN Cc1ccc(C)c(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)c1 ZINC000020016681 563415917 /nfs/dbraw/zinc/41/59/17/563415917.db2.gz MLIVHWZIIWLVAZ-AWEZNQCLSA-N 0 0 312.438 4.722 50 0 DJAARN O=C(C[C@@H]1C=CCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000020005696 563415930 /nfs/dbraw/zinc/41/59/30/563415930.db2.gz DGCRZWQIRANKJE-LLVKDONJSA-N 0 0 318.829 4.758 50 0 DJAARN CC(C)C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025583372 563423264 /nfs/dbraw/zinc/42/32/64/563423264.db2.gz JSPNIVZMVVXKNZ-QUCCMNQESA-N 0 0 306.409 4.602 50 0 DJAARN c1coc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)c1 ZINC000025559835 563423538 /nfs/dbraw/zinc/42/35/38/563423538.db2.gz JOYDEARNPFWCHW-YLJYHZDGSA-N 0 0 322.408 4.730 50 0 DJAARN Cc1cc2occ(CC(=O)N[C@@H](C)C(C)C)c2cc1C(C)C ZINC000025975081 563424587 /nfs/dbraw/zinc/42/45/87/563424587.db2.gz ALRHQWSFXKSPQW-AWEZNQCLSA-N 0 0 301.430 4.568 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)no2)cc1 ZINC000027581028 563428223 /nfs/dbraw/zinc/42/82/23/563428223.db2.gz ZONGFVRVETVUMH-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1 ZINC000027581032 563428803 /nfs/dbraw/zinc/42/88/03/563428803.db2.gz LLNQCJUGJKXDFH-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1cc(S[C@H](C)c2nc(C(C)C)no2)nc2ccccc12 ZINC000027777701 563430247 /nfs/dbraw/zinc/43/02/47/563430247.db2.gz QPSORGSXSMHWTM-GFCCVEGCSA-N 0 0 313.426 4.903 50 0 DJAARN Cc1ccccc1[C@H](Sc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000028190217 563430613 /nfs/dbraw/zinc/43/06/13/563430613.db2.gz GCABNIVCNNWWMI-QGZVFWFLSA-N 0 0 321.449 4.872 50 0 DJAARN O=C(Nc1ccccc1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000028335043 563431622 /nfs/dbraw/zinc/43/16/22/563431622.db2.gz MIWFZFLRUMDEJS-UHFFFAOYSA-N 0 0 320.417 4.940 50 0 DJAARN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000028988996 563432872 /nfs/dbraw/zinc/43/28/72/563432872.db2.gz PNIGPDNEOOEJEG-LLVKDONJSA-N 0 0 308.303 4.588 50 0 DJAARN Cc1cc(NC(=O)c2ccccc2Cl)c(C(C)C)cc1O ZINC000000092370 563446717 /nfs/dbraw/zinc/44/67/17/563446717.db2.gz QQHWWDVSRWOHEP-UHFFFAOYSA-N 0 0 303.789 4.730 50 0 DJAARN COc1ccc2[nH]c(SCc3ccc(Cl)cc3)nc2c1 ZINC000000178682 563446745 /nfs/dbraw/zinc/44/67/45/563446745.db2.gz ZBCSNQSIGXWJKU-UHFFFAOYSA-N 0 0 304.802 4.517 50 0 DJAARN C[C@H]1c2ccccc2C2(CCCC2)CN1C(=O)Cc1ccccc1 ZINC000004904934 563449858 /nfs/dbraw/zinc/44/98/58/563449858.db2.gz PDCYFHMGTNTWCT-KRWDZBQOSA-N 0 0 319.448 4.644 50 0 DJAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)C1CCCCC1 ZINC000034794197 563451074 /nfs/dbraw/zinc/45/10/74/563451074.db2.gz XCGUJASUPILICZ-UHFFFAOYSA-N 0 0 317.820 4.557 50 0 DJAARN Cc1ccc2nc(-c3ccccc3)c(NCc3ccccc3)n2c1 ZINC000035616131 563453342 /nfs/dbraw/zinc/45/33/42/563453342.db2.gz PPKPREDMOKCYLO-UHFFFAOYSA-N 0 0 313.404 4.922 50 0 DJAARN COc1ccccc1Nc1c(-c2cccs2)nc2ccccn21 ZINC000035616062 563453388 /nfs/dbraw/zinc/45/33/88/563453388.db2.gz LCJNFFWFKWUZST-UHFFFAOYSA-N 0 0 321.405 4.815 50 0 DJAARN Cc1ccc([C@H]2CCCCCN2C(=O)NC2CCCCC2)cc1 ZINC000035561602 563453445 /nfs/dbraw/zinc/45/34/45/563453445.db2.gz FENIYBNZTFVNIN-LJQANCHMSA-N 0 0 314.473 4.954 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000036619731 563455435 /nfs/dbraw/zinc/45/54/35/563455435.db2.gz OPDJSSBTBQTNAW-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000036620804 563455920 /nfs/dbraw/zinc/45/59/20/563455920.db2.gz IAXJTOLWXJXADI-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 ZINC000036620860 563456087 /nfs/dbraw/zinc/45/60/87/563456087.db2.gz XXHBFPCJZWWBHL-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 ZINC000036620972 563456161 /nfs/dbraw/zinc/45/61/61/563456161.db2.gz DRWOKGKOBQBHPN-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN Cc1ccccc1[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036620768 563456167 /nfs/dbraw/zinc/45/61/67/563456167.db2.gz YZGIPKCZOFGMQL-MYZSEDEFSA-N 0 0 323.480 4.875 50 0 DJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2F)c1C ZINC000036620693 563456173 /nfs/dbraw/zinc/45/61/73/563456173.db2.gz WUQGNBZETMASLE-SFHVURJKSA-N 0 0 312.388 4.812 50 0 DJAARN Clc1ccccc1-c1csc2ncnc(NC3CC3)c12 ZINC000036646087 563456569 /nfs/dbraw/zinc/45/65/69/563456569.db2.gz XJAWKTGCSWVBMI-UHFFFAOYSA-N 0 0 301.802 4.586 50 0 DJAARN Fc1ccccc1CNc1ccc(Br)cc1Cl ZINC000036962806 563457506 /nfs/dbraw/zinc/45/75/06/563457506.db2.gz LYKIQTYTCPLWOB-UHFFFAOYSA-N 0 0 314.585 4.854 50 0 DJAARN c1c(CSc2nc3ccccc3[nH]2)onc1-c1ccccc1 ZINC000037866257 563459672 /nfs/dbraw/zinc/45/96/72/563459672.db2.gz YFVACNYYMMQUIV-UHFFFAOYSA-N 0 0 307.378 4.510 50 0 DJAARN Cc1cccc2[nH]c([C@@H](C)Oc3ccc(Cl)c(C)c3)nc21 ZINC000033004191 563461360 /nfs/dbraw/zinc/46/13/60/563461360.db2.gz DXGVFUQZFGCCOR-GFCCVEGCSA-N 0 0 300.789 4.973 50 0 DJAARN FC(F)(F)c1cnc(N2CCCc3ccccc32)c(Cl)c1 ZINC000042783542 563461637 /nfs/dbraw/zinc/46/16/37/563461637.db2.gz XXGLCZBJGPOCCI-UHFFFAOYSA-N 0 0 312.722 4.838 50 0 DJAARN C[C@@H](CNC(=O)c1ccc(C2CCCCC2)cc1)c1ccncc1 ZINC000072314213 563465942 /nfs/dbraw/zinc/46/59/42/563465942.db2.gz MFPSGUBEBRMFGX-INIZCTEOSA-N 0 0 322.452 4.663 50 0 DJAARN C[C@H](CNC(=O)c1ccc(C2CCCCC2)cc1)c1ccncc1 ZINC000072314214 563466271 /nfs/dbraw/zinc/46/62/71/563466271.db2.gz MFPSGUBEBRMFGX-MRXNPFEDSA-N 0 0 322.452 4.663 50 0 DJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(F)cc1Cl ZINC000049544867 563467681 /nfs/dbraw/zinc/46/76/81/563467681.db2.gz AWQSCLPLOOOZFG-NSHDSACASA-N 0 0 321.783 4.554 50 0 DJAARN CCCNC(=O)c1cc(C)nc2c(-c3ccc(C)cc3)cccc12 ZINC000033036899 563469924 /nfs/dbraw/zinc/46/99/24/563469924.db2.gz XKYHCIMCNOCHHF-UHFFFAOYSA-N 0 0 318.420 4.658 50 0 DJAARN Cc1ccc(C(=O)CCNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004622410 563476242 /nfs/dbraw/zinc/47/62/42/563476242.db2.gz BIIVKSIHZXLCDC-UHFFFAOYSA-N 0 0 323.314 4.579 50 0 DJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2)s1 ZINC000033049093 563477998 /nfs/dbraw/zinc/47/79/98/563477998.db2.gz NQJDHAQPJFQTDO-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN C[C@@H](CCCC(C)(C)O)n1ccnc1-c1cccc2cnccc21 ZINC000067805646 563491276 /nfs/dbraw/zinc/49/12/76/563491276.db2.gz MKRDCKLFSXCLEU-HNNXBMFYSA-N 0 0 323.440 4.601 50 0 DJAARN COc1ccc(/C=C/C(=O)Nc2cccc3ccccc32)cc1 ZINC000000028339 563495794 /nfs/dbraw/zinc/49/57/94/563495794.db2.gz UJKKAHCQNIKLDA-SDNWHVSQSA-N 0 0 303.361 4.500 50 0 biogenic DJAARN O=C(Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1)C1CC1 ZINC000033106086 563496344 /nfs/dbraw/zinc/49/63/44/563496344.db2.gz QXBZUAKCRVXXCE-UHFFFAOYSA-N 0 0 310.784 4.837 50 0 DJAARN Cc1ccc(-c2ncccc2C(=O)Nc2cc(C)cc(C)c2)s1 ZINC000033139071 563497341 /nfs/dbraw/zinc/49/73/41/563497341.db2.gz ZMOCZABGOUPOCC-UHFFFAOYSA-N 0 0 322.433 4.988 50 0 DJAARN O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077286216 563508115 /nfs/dbraw/zinc/50/81/15/563508115.db2.gz HZMORMRJFSOYKC-IBGZPJMESA-N 0 0 322.383 4.674 50 0 DJAARN Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000077302275 563508154 /nfs/dbraw/zinc/50/81/54/563508154.db2.gz LAYTVJVKSVZCBE-SFHVURJKSA-N 0 0 315.363 4.641 50 0 DJAARN CC1(C)[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1C=C(Cl)Cl ZINC000000041387 563508363 /nfs/dbraw/zinc/50/83/63/563508363.db2.gz ITQQXEQFJGRRTC-PWSUYJOCSA-N 0 0 318.631 4.870 50 0 DJAARN CCOC(=O)c1c2cc(OCC)ccc2oc1-c1ccccc1 ZINC000000044696 563511735 /nfs/dbraw/zinc/51/17/35/563511735.db2.gz WQRLNZZYGAZFKQ-UHFFFAOYSA-N 0 0 310.349 4.675 50 0 biogenic DJAARN O=C1c2cccc3cccc(c32)C(=O)N1c1cccc2ccccc21 ZINC000000045142 563512477 /nfs/dbraw/zinc/51/24/77/563512477.db2.gz ARXWTWQQQUILTK-UHFFFAOYSA-N 0 0 323.351 4.794 50 0 DJAARN CC1(C)[C@H](C(=O)Nc2cccc(Cl)c2)[C@H]1C=C(Cl)Cl ZINC000000045269 563512685 /nfs/dbraw/zinc/51/26/85/563512685.db2.gz RHDNKNVNMHTZRE-PWSUYJOCSA-N 0 0 318.631 4.870 50 0 DJAARN CCCC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C ZINC000000055111 563515138 /nfs/dbraw/zinc/51/51/38/563515138.db2.gz MXWCNSJGEXNQIY-YJBOKZPZSA-N 0 0 308.425 4.765 50 0 DJAARN CCC1(CC)O[C@H](c2ccc3c(c2)OCO3)Nc2ccccc21 ZINC000000058492 563515185 /nfs/dbraw/zinc/51/51/85/563515185.db2.gz XGGAVEYTHPMTQM-GOSISDBHSA-N 0 0 311.381 4.572 50 0 DJAARN COc1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271134 563517406 /nfs/dbraw/zinc/51/74/06/563517406.db2.gz COJGPGMTJZHEPT-WMQCIHAUSA-N 0 0 323.436 4.947 50 0 DJAARN CCOc1ccc(NC(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000033281772 563518579 /nfs/dbraw/zinc/51/85/79/563518579.db2.gz LWWIOGOEZILIFO-GDNBJRDFSA-N 0 0 317.388 4.890 50 0 DJAARN CC(=O)c1cccc(NC(=O)C=Cc2cccc3ccccc23)c1 ZINC000033281766 563518700 /nfs/dbraw/zinc/51/87/00/563518700.db2.gz YLGVVWYPCFDHSX-SEYXRHQNSA-N 0 0 315.372 4.694 50 0 DJAARN FC(F)(F)c1ccc(-c2nc(-c3ccncc3)cs2)cc1 ZINC000084847072 563519927 /nfs/dbraw/zinc/51/99/27/563519927.db2.gz IMKDHTFBSNGBDQ-UHFFFAOYSA-N 0 0 306.312 4.891 50 0 DJAARN Cc1ccc(NC(=O)/C=C\c2c(F)cccc2Cl)cc1C ZINC000033316679 563519934 /nfs/dbraw/zinc/51/99/34/563519934.db2.gz IOUYEPSTJUTYBB-HJWRWDBZSA-N 0 0 303.764 4.748 50 0 DJAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1cccc2cccnc21 ZINC000033326396 563521944 /nfs/dbraw/zinc/52/19/44/563521944.db2.gz WTNMIBKTIJIVQG-FLIBITNWSA-N 0 0 308.768 4.540 50 0 DJAARN CC(C)c1cc2c(c(C(C)C)c1)OC1(CCCCC1)NC2=O ZINC000585152523 563522366 /nfs/dbraw/zinc/52/23/66/563522366.db2.gz XQOJNNWHYZAKOO-UHFFFAOYSA-N 0 0 301.430 4.716 50 0 DJAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(Cl)ccc1C)C2 ZINC000011479492 563527689 /nfs/dbraw/zinc/52/76/89/563527689.db2.gz KQRWPJZURSDJQK-INIZCTEOSA-N 0 0 317.841 4.612 50 0 DJAARN Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)ccn1)c1ccco1 ZINC000000090362 563528133 /nfs/dbraw/zinc/52/81/33/563528133.db2.gz WHGGMAVCKNYMNJ-HXUWFJFHSA-N 0 0 317.392 4.974 50 0 DJAARN CC1CCN(c2nnc(-c3cccs3)c3ccccc32)CC1 ZINC000000091587 563528459 /nfs/dbraw/zinc/52/84/59/563528459.db2.gz GXGWKRDMLMESRO-UHFFFAOYSA-N 0 0 309.438 4.595 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000096170915 563535822 /nfs/dbraw/zinc/53/58/22/563535822.db2.gz BLEWUXWTWYVSCY-UHFFFAOYSA-N 0 0 324.302 4.846 50 0 DJAARN CSc1ccc(C2=NC(=S)C(c3ccc(F)cc3)N2)cc1 ZINC000101426763 563557487 /nfs/dbraw/zinc/55/74/87/563557487.db2.gz BZUPTOWNTIYPEY-UHFFFAOYSA-N 0 0 316.426 4.893 50 0 DJAARN CC(C)CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 ZINC000033379569 563557700 /nfs/dbraw/zinc/55/77/00/563557700.db2.gz NDVSNITWSVLSRF-AQTBWJFISA-N 0 0 307.393 4.604 50 0 DJAARN Cc1nc2sc3c(c2c(Oc2ccccc2C)n1)CCCC3 ZINC000000125861 563571665 /nfs/dbraw/zinc/57/16/65/563571665.db2.gz ZPKMVZNWEWEDIX-UHFFFAOYSA-N 0 0 310.422 4.979 50 0 DJAARN Fc1ccc(Cc2cnc(Nc3ccc(F)cc3)s2)cc1 ZINC000000178792 563575610 /nfs/dbraw/zinc/57/56/10/563575610.db2.gz DECHQEYMFXTUNZ-UHFFFAOYSA-N 0 0 302.349 4.756 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1F ZINC000000180305 563575711 /nfs/dbraw/zinc/57/57/11/563575711.db2.gz WTTIYSLEJSBYIS-INIZCTEOSA-N 0 0 321.804 4.566 50 0 DJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000191170 563576822 /nfs/dbraw/zinc/57/68/22/563576822.db2.gz YMUIWYBAUJKUEL-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN Cc1ccc2oc(-c3ccc(C(F)(F)F)cc3)cc(=O)c2c1 ZINC000000193349 563577298 /nfs/dbraw/zinc/57/72/98/563577298.db2.gz WMYUSFYRHCBMKM-UHFFFAOYSA-N 0 0 304.267 4.787 50 0 biogenic DJAARN Cc1ccc([C@H]2n3c4ccccc4nc3-c3ccccc3N2C)o1 ZINC000000203655 563578164 /nfs/dbraw/zinc/57/81/64/563578164.db2.gz IEQJTPVFFBPVML-HXUWFJFHSA-N 0 0 315.376 4.601 50 0 DJAARN Cc1cccc(NC(=O)CSc2cc(C)c3ccccc3n2)c1 ZINC000000210999 563578804 /nfs/dbraw/zinc/57/88/04/563578804.db2.gz GAVXEVRDZLZWAC-UHFFFAOYSA-N 0 0 322.433 4.582 50 0 DJAARN Cc1sc(-c2ccnc(C(F)F)c2)cc1Br ZINC000725273624 563579137 /nfs/dbraw/zinc/57/91/37/563579137.db2.gz QMAUHCPKKJUWSP-UHFFFAOYSA-N 0 0 304.159 4.819 50 0 DJAARN Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000226912 563579548 /nfs/dbraw/zinc/57/95/48/563579548.db2.gz QOLJVKDWAGKZTH-RMKNXTFCSA-N 0 0 306.192 4.954 50 0 DJAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000000235675 563580639 /nfs/dbraw/zinc/58/06/39/563580639.db2.gz CYNFKPFPZBYVMN-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN O=C(Nc1cccc(F)c1)c1ccc(Oc2ccccc2)cc1 ZINC000000241654 563581118 /nfs/dbraw/zinc/58/11/18/563581118.db2.gz RXEIJXSTDJOGNG-UHFFFAOYSA-N 0 0 307.324 4.870 50 0 DJAARN COc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl ZINC000000247787 563581751 /nfs/dbraw/zinc/58/17/51/563581751.db2.gz AMUWUBAYGMORIC-UHFFFAOYSA-N 0 0 311.768 4.754 50 0 DJAARN FC(F)(F)c1ccc(CSc2ncnc3ccccc32)cc1 ZINC000000254244 563582405 /nfs/dbraw/zinc/58/24/05/563582405.db2.gz LURABMOTGMCLOO-UHFFFAOYSA-N 0 0 320.339 4.941 50 0 DJAARN C[C@@H]1CCC[C@@H](C)N1C(=S)Nc1cccc(Cl)c1Cl ZINC000000258007 563583130 /nfs/dbraw/zinc/58/31/30/563583130.db2.gz RYJBKYIAGQHIGT-NXEZZACHSA-N 0 0 317.285 4.953 50 0 DJAARN O=C(c1c(Cl)cccc1Cl)N1CCCc2ccccc21 ZINC000000282857 563584808 /nfs/dbraw/zinc/58/48/08/563584808.db2.gz CZCUGBSCLCYXDO-UHFFFAOYSA-N 0 0 306.192 4.586 50 0 DJAARN C[C@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccc2ccccc2c1 ZINC000023903909 563585419 /nfs/dbraw/zinc/58/54/19/563585419.db2.gz OQTXXBNURLMDGO-CQSZACIVSA-N 0 0 323.440 4.713 50 0 DJAARN Cc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1 ZINC000000310889 563587527 /nfs/dbraw/zinc/58/75/27/563587527.db2.gz QLWNEJVSSURHRR-UHFFFAOYSA-N 0 0 308.360 4.720 50 0 DJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000000364463 563590746 /nfs/dbraw/zinc/59/07/46/563590746.db2.gz DVNKDERLAQRKFQ-INIZCTEOSA-N 0 0 320.219 4.801 50 0 DJAARN C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2s1)c1ccccc1 ZINC000000380437 563591254 /nfs/dbraw/zinc/59/12/54/563591254.db2.gz HDNBDLXTARNSST-SNVBAGLBSA-N 0 0 316.813 4.692 50 0 DJAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccs1 ZINC000000384176 563591892 /nfs/dbraw/zinc/59/18/92/563591892.db2.gz QPGWMWCEIKSFHQ-SFHVURJKSA-N 0 0 322.385 4.529 50 0 DJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)s1 ZINC000004902324 563592816 /nfs/dbraw/zinc/59/28/16/563592816.db2.gz MDPOXVWNYWEJNJ-UHFFFAOYSA-N 0 0 320.845 4.644 50 0 DJAARN Clc1ccc(-c2nc3ncccn3c2Nc2ccccc2)cc1 ZINC000004903114 563593033 /nfs/dbraw/zinc/59/30/33/563593033.db2.gz PBNDDECBVNEWQF-UHFFFAOYSA-N 0 0 320.783 4.793 50 0 DJAARN Cc1ccccc1[C@@H]1CN=N[C@@]12CCCc1ccccc1C2=O ZINC000033787366 563596966 /nfs/dbraw/zinc/59/69/66/563596966.db2.gz IXUDMFOFFNQZGS-ICSRJNTNSA-N 0 0 304.393 4.502 50 0 DJAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1Cl ZINC000011916487 563601941 /nfs/dbraw/zinc/60/19/41/563601941.db2.gz BYCJXMDNTFIONE-UHFFFAOYSA-N 0 0 318.785 4.617 50 0 DJAARN Cc1cc(C[C@@H](CC(=O)c2ccccc2)c2ccccc2)on1 ZINC000000387856 563608421 /nfs/dbraw/zinc/60/84/21/563608421.db2.gz RWRXUIZTDFKPBO-SFHVURJKSA-N 0 0 305.377 4.582 50 0 DJAARN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)[C@@H]1C[C@H]1C ZINC000252679700 563611359 /nfs/dbraw/zinc/61/13/59/563611359.db2.gz QDFZTUJCVDMTAP-OLUVUFQESA-N 0 0 319.401 4.518 50 0 DJAARN CCOc1ccc(-c2cn(-c3ccccc3F)c(=S)[nH]2)cc1 ZINC000000424435 563612137 /nfs/dbraw/zinc/61/21/37/563612137.db2.gz JTQPJWHCWDYFHE-UHFFFAOYSA-N 0 0 314.385 4.740 50 0 DJAARN Cc1nc2sc3c(c2c(Nc2ccc(F)cc2)n1)CCCC3 ZINC000000215513 563614616 /nfs/dbraw/zinc/61/46/16/563614616.db2.gz LQBSASSHZUXDPM-UHFFFAOYSA-N 0 0 313.401 4.761 50 0 DJAARN O=C1C[C@@H](c2ccc(Cl)cc2)c2c(ccc3ccccc32)N1 ZINC000000079890 563615060 /nfs/dbraw/zinc/61/50/60/563615060.db2.gz AQJRALPRSIVPKZ-INIZCTEOSA-N 0 0 307.780 4.967 50 0 DJAARN O=C(Oc1ccc(Cl)c2cccnc12)c1cccc(Cl)c1 ZINC000000453585 563616277 /nfs/dbraw/zinc/61/62/77/563616277.db2.gz MDJZMANPJSZGKG-UHFFFAOYSA-N 0 0 318.159 4.761 50 0 DJAARN Cc1ccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)o1 ZINC000000428769 563616428 /nfs/dbraw/zinc/61/64/28/563616428.db2.gz RCUKYCUEZFGYKD-UHFFFAOYSA-N 0 0 318.380 4.658 50 0 DJAARN C[C@@H]1CN(c2nc3ccccc3cc2-c2ccccc2)C[C@@H](C)O1 ZINC000005275392 563619739 /nfs/dbraw/zinc/61/97/39/563619739.db2.gz JJGWRHQVRKJBHZ-HZPDHXFCSA-N 0 0 318.420 4.515 50 0 DJAARN Cc1ccc(CSc2nc(Cl)c3c(n2)CCCC3)cc1 ZINC000005541226 563623756 /nfs/dbraw/zinc/62/37/56/563623756.db2.gz YZOFNFIZBCRIIM-UHFFFAOYSA-N 0 0 304.846 4.610 50 0 DJAARN CCOC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000000473899 563624244 /nfs/dbraw/zinc/62/42/44/563624244.db2.gz JDCLQZSYNMOZEF-UHFFFAOYSA-N 0 0 317.197 4.685 50 0 DJAARN Cc1c(Br)sc2sc(-c3cc[nH]n3)c(C)c12 ZINC000000126354 563627808 /nfs/dbraw/zinc/62/78/08/563627808.db2.gz MUNXAASMRMRSCE-UHFFFAOYSA-N 0 0 313.245 4.732 50 0 DJAARN CC1(C)C[C@H](O)c2ccc(OCc3ccc(Cl)cc3)cc2O1 ZINC000000161139 563628166 /nfs/dbraw/zinc/62/81/66/563628166.db2.gz LWBKPGROHZJUBZ-INIZCTEOSA-N 0 0 318.800 4.514 50 0 DJAARN CCc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1 ZINC000000291350 563629409 /nfs/dbraw/zinc/62/94/09/563629409.db2.gz ZFQDDYAIAXWPLN-UHFFFAOYSA-N 0 0 307.418 4.772 50 0 DJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000000588402 563631789 /nfs/dbraw/zinc/63/17/89/563631789.db2.gz QYYAGSCKNAHQRE-HNNXBMFYSA-N 0 0 311.425 4.834 50 0 DJAARN O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccncc1 ZINC000003150113 563637984 /nfs/dbraw/zinc/63/79/84/563637984.db2.gz PVSDLARAULUXIL-UHFFFAOYSA-N 0 0 308.768 4.654 50 0 DJAARN CCc1cc(=O)oc2cc3occ(-c4cccc(OC)c4)c3cc12 ZINC000000488994 563649226 /nfs/dbraw/zinc/64/92/26/563649226.db2.gz PFOKXIBFANZFOE-UHFFFAOYSA-N 0 0 320.344 4.777 50 0 biogenic DJAARN O=C(c1ccc(Cl)cc1)c1c2ccccc2nc2c1CCCC2 ZINC000000494734 563650795 /nfs/dbraw/zinc/65/07/95/563650795.db2.gz SMAHYUZVQWKXCH-UHFFFAOYSA-N 0 0 321.807 4.998 50 0 DJAARN CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(C(C)C)n1 ZINC000000498671 563651426 /nfs/dbraw/zinc/65/14/26/563651426.db2.gz XOKHREMKWZNBKX-UHFFFAOYSA-N 0 0 323.396 4.629 50 0 DJAARN Cc1ccc(C)c(CN2c3ccccc3N=C3CCC[C@H]3C2=O)c1 ZINC000101319524 563654800 /nfs/dbraw/zinc/65/48/00/563654800.db2.gz MUINEQCCMKAUKB-QGZVFWFLSA-N 0 0 318.420 4.723 50 0 DJAARN O=C1[C@H]2CCCC2=Nc2ccccc2N1Cc1cccc(Cl)c1 ZINC000101946715 563657911 /nfs/dbraw/zinc/65/79/11/563657911.db2.gz IIARTXVRVOIOQW-HNNXBMFYSA-N 0 0 324.811 4.759 50 0 DJAARN Fc1ccc(Nc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000000509889 563658866 /nfs/dbraw/zinc/65/88/66/563658866.db2.gz WVEZZMMWJAYZCN-UHFFFAOYSA-N 0 0 316.339 4.575 50 0 DJAARN Cc1noc2c1[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102750852 563662662 /nfs/dbraw/zinc/66/26/62/563662662.db2.gz OHVNASXWQRSUEL-OAHLLOKOSA-N 0 0 314.410 4.895 50 0 DJAARN CC(C)n1c2ccccc2nc1NCc1c[nH]c2ccccc12 ZINC000000521667 563664073 /nfs/dbraw/zinc/66/40/73/563664073.db2.gz QCYQUGKYGHZJKA-UHFFFAOYSA-N 0 0 304.397 4.711 50 0 DJAARN c1ccc(Sc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000000522132 563664558 /nfs/dbraw/zinc/66/45/58/563664558.db2.gz LBGYWNKZHIOECH-UHFFFAOYSA-N 0 0 315.401 4.843 50 0 DJAARN Cc1nc2ccccc2nc1OCc1ccc(Cl)c(Cl)c1 ZINC000000529635 563665333 /nfs/dbraw/zinc/66/53/33/563665333.db2.gz CUNMYRNNPDOJPO-UHFFFAOYSA-N 0 0 319.191 4.824 50 0 DJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1Cl ZINC000014373320 563667446 /nfs/dbraw/zinc/66/74/46/563667446.db2.gz QQIPKUYJMFZWJI-UHFFFAOYSA-N 0 0 312.800 4.783 50 0 DJAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(Cl)c1Cl ZINC000000568776 563672119 /nfs/dbraw/zinc/67/21/19/563672119.db2.gz OWHPHWZUDSNCMQ-UHFFFAOYSA-N 0 0 324.251 4.548 50 0 DJAARN CC[C@H](C)Cn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000000572619 563673632 /nfs/dbraw/zinc/67/36/32/563673632.db2.gz FDTVJZUINMZSCV-AWEZNQCLSA-N 0 0 324.424 4.767 50 0 DJAARN Cc1nc(Cc2nc(-c3ccc(Cl)s3)cs2)cs1 ZINC000046814865 563678209 /nfs/dbraw/zinc/67/82/09/563678209.db2.gz YXTVSGPPMLQWPG-UHFFFAOYSA-N 0 0 312.872 4.881 50 0 DJAARN Cc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000003525969 563680867 /nfs/dbraw/zinc/68/08/67/563680867.db2.gz ZVDLAOAHMHPGBA-OAQYLSRUSA-N 0 0 314.388 4.642 50 0 DJAARN O=C(Nc1ccccc1Cl)C1(c2cccs2)CCCC1 ZINC000012157906 563681216 /nfs/dbraw/zinc/68/12/16/563681216.db2.gz HDIONHJZXHOTOA-UHFFFAOYSA-N 0 0 305.830 4.852 50 0 DJAARN COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(C)c(C)c1 ZINC000051354192 563689742 /nfs/dbraw/zinc/68/97/42/563689742.db2.gz JDGDPOIXBBGZIX-UHFFFAOYSA-N 0 0 318.804 4.918 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)cc1 ZINC000046017946 563691212 /nfs/dbraw/zinc/69/12/12/563691212.db2.gz UGAIOUSMVSJMHG-INIZCTEOSA-N 0 0 317.791 4.765 50 0 DJAARN O=C(NCc1ccoc1)Nc1ccc(SC2CCCC2)cc1 ZINC000047863650 563692379 /nfs/dbraw/zinc/69/23/79/563692379.db2.gz RKLGQWWIDDOTRT-UHFFFAOYSA-N 0 0 316.426 4.636 50 0 DJAARN COc1ccc(Cl)cc1CN1CCC[C@H]1c1ccsc1 ZINC000048288794 563694820 /nfs/dbraw/zinc/69/48/20/563694820.db2.gz NDPMJVDYYMMSHK-HNNXBMFYSA-N 0 0 307.846 4.747 50 0 DJAARN Cc1ccc([C@H](C)NC(=O)c2cc3c(ccc4ccccc34)[nH]2)o1 ZINC000048361727 563697689 /nfs/dbraw/zinc/69/76/89/563697689.db2.gz VCPUGMLBHBRCNU-ZDUSSCGKSA-N 0 0 318.376 4.714 50 0 DJAARN CCCc1cc(C(=O)Nc2cccc3ncccc32)sc1C ZINC000014897070 563699263 /nfs/dbraw/zinc/69/92/63/563699263.db2.gz FVVNBVHSVFSDJM-UHFFFAOYSA-N 0 0 310.422 4.810 50 0 DJAARN Cc1ccc(C)c(NC(=O)c2cnc(-c3ccsc3)s2)c1 ZINC000112227089 563699372 /nfs/dbraw/zinc/69/93/72/563699372.db2.gz DKRBJAHDQGPFBO-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN C[C@@H](Sc1ncnc2ccsc21)c1cc(F)ccc1F ZINC000048705784 563699690 /nfs/dbraw/zinc/69/96/90/563699690.db2.gz FADMJQMXNRQVPG-MRVPVSSYSA-N 0 0 308.378 4.823 50 0 DJAARN Cc1ccc(-c2ccnc(-c3cc4ccccc4o3)n2)c(C)n1 ZINC000215527801 563706205 /nfs/dbraw/zinc/70/62/05/563706205.db2.gz OHGOJZJDMYMIDF-UHFFFAOYSA-N 0 0 301.349 4.569 50 0 DJAARN Cc1ccc(Nc2c(-c3ccccc3)nc3ncccn32)c(C)c1 ZINC000007499065 563716133 /nfs/dbraw/zinc/71/61/33/563716133.db2.gz FCQIXAZQAWCJEF-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN Fc1cccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)c1 ZINC000007333512 563716168 /nfs/dbraw/zinc/71/61/68/563716168.db2.gz AGPXSWHSLWPKRP-GHXNOFRVSA-N 0 0 306.749 4.674 50 0 DJAARN Cc1ccc(F)cc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000008079120 563718856 /nfs/dbraw/zinc/71/88/56/563718856.db2.gz JHSSRDBYIRLCCM-UHFFFAOYSA-N 0 0 312.171 4.622 50 0 DJAARN CC(=O)Nc1ccc(-c2nc(-c3ccsc3)sc2C)cc1 ZINC000008102794 563719157 /nfs/dbraw/zinc/71/91/57/563719157.db2.gz ZDMCCNXWYJTLCT-UHFFFAOYSA-N 0 0 314.435 4.805 50 0 DJAARN COc1ccc(-c2csc(-c3ccsc3)n2)c(OC)c1 ZINC000008102655 563719291 /nfs/dbraw/zinc/71/92/91/563719291.db2.gz MAEGLCJVNXXPJR-UHFFFAOYSA-N 0 0 303.408 4.556 50 0 DJAARN CCOc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000000818128 563721147 /nfs/dbraw/zinc/72/11/47/563721147.db2.gz XRSQFHCCMYRKDL-HXUWFJFHSA-N 0 0 319.408 4.538 50 0 DJAARN CCOc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 ZINC000000818127 563721515 /nfs/dbraw/zinc/72/15/15/563721515.db2.gz XRSQFHCCMYRKDL-FQEVSTJZSA-N 0 0 319.408 4.538 50 0 DJAARN Cc1sc(NC(=O)/C=C\c2ccccc2)nc1-c1ccccc1 ZINC000033292657 563723859 /nfs/dbraw/zinc/72/38/59/563723859.db2.gz NJWNHDQYCISHOQ-SEYXRHQNSA-N 0 0 320.417 4.770 50 0 DJAARN Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@@H](C)C(=O)[C@H]1C ZINC000229933359 563773546 /nfs/dbraw/zinc/77/35/46/563773546.db2.gz GZFSBHPTKSDFKX-OBMJPTGESA-N 0 0 307.437 4.530 50 0 DJAARN c1ncn(C2CCCCC2)c1CN1CCCC[C@H]1c1ccccn1 ZINC000244594037 563779108 /nfs/dbraw/zinc/77/91/08/563779108.db2.gz DFLAMAVGQNMJCH-FQEVSTJZSA-N 0 0 324.472 4.511 50 0 DJAARN COc1ccc(/C=C/c2ccc(OC)c(Br)c2)cc1 ZINC000001016281 563786721 /nfs/dbraw/zinc/78/67/21/563786721.db2.gz CPRKXCZHCJICEH-ONEGZZNKSA-N 0 0 319.198 4.637 50 0 DJAARN O=C1[C@@H](Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000001019831 563786737 /nfs/dbraw/zinc/78/67/37/563786737.db2.gz OAJDVBJWASMZHT-LEWJYISDSA-N 0 0 313.400 4.633 50 0 DJAARN CNc1ccccc1C(C)(C)c1cc(-c2ccc(F)cc2)no1 ZINC000003204161 563799244 /nfs/dbraw/zinc/79/92/44/563799244.db2.gz RGXQSTAXYTZFAH-UHFFFAOYSA-N 0 0 310.372 4.848 50 0 DJAARN Cc1ccc(-c2nnc([C@H](C)Nc3ccc(C)cc3C)o2)cc1 ZINC000012534645 563799265 /nfs/dbraw/zinc/79/92/65/563799265.db2.gz GWOAGKXPVCUFCX-HNNXBMFYSA-N 0 0 307.397 4.835 50 0 DJAARN Cc1ccc(-c2csc3ncnc(N4CCC[C@@H](C)C4)c23)cc1 ZINC000003287012 563800704 /nfs/dbraw/zinc/80/07/04/563800704.db2.gz YXRYIHBNJXCVPS-CQSZACIVSA-N 0 0 323.465 4.903 50 0 DJAARN Nc1nc(-c2ccco2)cc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000071978137 563813473 /nfs/dbraw/zinc/81/34/73/563813473.db2.gz DXZCWNJJROHHOR-UHFFFAOYSA-N 0 0 313.360 4.653 50 0 DJAARN O=C(CSc1ccccc1)CSc1ccc(Cl)cc1 ZINC000001385766 563814600 /nfs/dbraw/zinc/81/46/00/563814600.db2.gz AUANICMXGBLZLE-UHFFFAOYSA-N 0 0 308.855 4.794 50 0 DJAARN CN(C)c1cc(CSc2ccccc2)nc(-c2ccccc2)n1 ZINC000001383082 563814602 /nfs/dbraw/zinc/81/46/02/563814602.db2.gz SUMDUJVPMFNBAC-UHFFFAOYSA-N 0 0 321.449 4.502 50 0 DJAARN CSc1nc(Sc2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000001387002 563814939 /nfs/dbraw/zinc/81/49/39/563814939.db2.gz LIHCNDGNGXIUKF-UHFFFAOYSA-N 0 0 316.373 4.677 50 0 DJAARN c1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1 ZINC000001390180 563816950 /nfs/dbraw/zinc/81/69/50/563816950.db2.gz VOXGIULEUXICAQ-UHFFFAOYSA-N 0 0 304.418 4.535 50 0 DJAARN Cc1cc(C)cc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000001391300 563817033 /nfs/dbraw/zinc/81/70/33/563817033.db2.gz WVRWZEWRPLDFEY-UHFFFAOYSA-N 0 0 321.342 4.594 50 0 DJAARN CCSc1nc2c(sc3nc(C)cc(C)c32)c(Cl)n1 ZINC000001394803 563817267 /nfs/dbraw/zinc/81/72/67/563817267.db2.gz RBFHJXWZDNZFKL-UHFFFAOYSA-N 0 0 309.847 4.622 50 0 DJAARN COc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1 ZINC000001393802 563817292 /nfs/dbraw/zinc/81/72/92/563817292.db2.gz JMHSIXDMWJSNLA-UHFFFAOYSA-N 0 0 315.756 4.583 50 0 DJAARN Clc1ccc2c(c1)ncnc2NCc1ccccc1Cl ZINC000001405689 563819154 /nfs/dbraw/zinc/81/91/54/563819154.db2.gz JMYBUGPTWFOBHN-UHFFFAOYSA-N 0 0 304.180 4.549 50 0 DJAARN CCN(Cc1cc(-c2ccco2)on1)Cc1ccc(Cl)s1 ZINC000053096619 563821016 /nfs/dbraw/zinc/82/10/16/563821016.db2.gz ORGMHBPJXIZYFD-UHFFFAOYSA-N 0 0 322.817 4.672 50 0 DJAARN O=C1S/C(=C\c2cccs2)C(=O)N1c1ccc(Cl)cc1 ZINC000001415887 563821336 /nfs/dbraw/zinc/82/13/36/563821336.db2.gz BEVWHQJPKLUTDC-WQLSENKSSA-N 0 0 321.810 4.642 50 0 DJAARN FC(F)(F)c1cccc(Nc2nc(-c3ccccn3)cs2)c1 ZINC000001421768 563822843 /nfs/dbraw/zinc/82/28/43/563822843.db2.gz JFGHFYQWVHBVMX-UHFFFAOYSA-N 0 0 321.327 4.968 50 0 DJAARN CSc1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 ZINC000012772422 563828114 /nfs/dbraw/zinc/82/81/14/563828114.db2.gz NESFALSGGDTFOD-UHFFFAOYSA-N 0 0 307.418 4.743 50 0 DJAARN C[C@H](NC(=O)NCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000012770532 563828272 /nfs/dbraw/zinc/82/82/72/563828272.db2.gz HAAQZRWKMFSKOD-NSHDSACASA-N 0 0 323.223 4.554 50 0 DJAARN CC[C@@H]1c2ccccc2CCN1C(=O)CCCc1cccs1 ZINC000084736537 563830654 /nfs/dbraw/zinc/83/06/54/563830654.db2.gz VAQFWPBGLUYBSI-GOSISDBHSA-N 0 0 313.466 4.607 50 0 DJAARN O=C(Nc1cccc2cccnc21)c1cccc(Cl)c1Cl ZINC000012786201 563831607 /nfs/dbraw/zinc/83/16/07/563831607.db2.gz FJHBUJGRYHTFAK-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN COc1ccc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000012824942 563843519 /nfs/dbraw/zinc/84/35/19/563843519.db2.gz KSRPQZSTKYRNKD-CYBMUJFWSA-N 0 0 324.380 4.666 50 0 DJAARN CC(C)Sc1c(Cl)cccc1NCc1nnc(C2CC2)o1 ZINC000086210663 563845057 /nfs/dbraw/zinc/84/50/57/563845057.db2.gz RZBMHYQETHYWKL-UHFFFAOYSA-N 0 0 323.849 4.713 50 0 DJAARN O=C(CC1CCCC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012868534 563846076 /nfs/dbraw/zinc/84/60/76/563846076.db2.gz SFRDLLKGRVASQT-UHFFFAOYSA-N 0 0 315.413 4.637 50 0 DJAARN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 ZINC000012868443 563846078 /nfs/dbraw/zinc/84/60/78/563846078.db2.gz QKFRTVVSILXFMW-BUBBNXEVSA-N 0 0 323.436 4.826 50 0 DJAARN COc1ccc(-c2nc3c(cc(Cl)cc3Cl)[nH]2)cc1OC ZINC000033559071 563847393 /nfs/dbraw/zinc/84/73/93/563847393.db2.gz PWBZEIGMLSIRNU-UHFFFAOYSA-N 0 0 323.179 4.554 50 0 DJAARN O=C(Nc1ccccc1)c1cnc2ccccc2c1C(F)(F)F ZINC000012873104 563850035 /nfs/dbraw/zinc/85/00/35/563850035.db2.gz XGSUIMFCBKRBKW-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN C[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000012903862 563853046 /nfs/dbraw/zinc/85/30/46/563853046.db2.gz GZMRKUDSKLHDHG-UGSOOPFHSA-N 0 0 313.828 4.637 50 0 DJAARN Cc1cccc(C)c1NC(=O)c1csc(-c2cccs2)n1 ZINC000012905529 563853365 /nfs/dbraw/zinc/85/33/65/563853365.db2.gz XQRZIWQHIBBSDR-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN CC(C)N(C(=O)Cc1coc2ccc3ccccc3c12)C1CC1 ZINC000012934173 563857224 /nfs/dbraw/zinc/85/72/24/563857224.db2.gz UYPBFTIDJGWFGF-UHFFFAOYSA-N 0 0 307.393 4.528 50 0 DJAARN C[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)Cc1ccccc1F ZINC000075109287 563860201 /nfs/dbraw/zinc/86/02/01/563860201.db2.gz NJKLTPXVMFEMBV-DNVCBOLYSA-N 0 0 311.400 4.511 50 0 DJAARN CC(=O)c1cc2c(s1)Sc1cc(C(C)=O)sc1S2 ZINC000075259796 563861892 /nfs/dbraw/zinc/86/18/92/563861892.db2.gz GNYQYIMXWUFYAQ-UHFFFAOYSA-N 0 0 312.462 4.831 50 0 DJAARN CCCCCc1ccc([C@H]2CC(=O)Nc3ccccc3N2)cc1 ZINC000075260564 563862456 /nfs/dbraw/zinc/86/24/56/563862456.db2.gz PIGFWAGVUUIRKQ-LJQANCHMSA-N 0 0 308.425 4.915 50 0 DJAARN Cn1c(-c2ccccc2)nc2ccc(O)c(-c3ccccc3)c21 ZINC000075279461 563862684 /nfs/dbraw/zinc/86/26/84/563862684.db2.gz IDUZIYLCCDRFFZ-UHFFFAOYSA-N 0 0 300.361 4.613 50 0 DJAARN O=C(Nc1ccccc1)c1ccccc1OCc1ccccc1 ZINC000006231811 563866802 /nfs/dbraw/zinc/86/68/02/563866802.db2.gz PWNUILPBTUGGRI-UHFFFAOYSA-N 0 0 303.361 4.518 50 0 DJAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CSc2ccccc21 ZINC000118187556 563869463 /nfs/dbraw/zinc/86/94/63/563869463.db2.gz CRZZOTOGJPWOOA-LLVKDONJSA-N 0 0 323.339 4.533 50 0 DJAARN Cc1ccc2[nH]c(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)nc2c1 ZINC000075421496 563870811 /nfs/dbraw/zinc/87/08/11/563870811.db2.gz CHUVPHVJEJCONH-UHFFFAOYSA-N 0 0 321.424 4.831 50 0 DJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000035536546 563872266 /nfs/dbraw/zinc/87/22/66/563872266.db2.gz JYVHQHUMCDZVHF-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(C)cc1C ZINC000035536528 563872469 /nfs/dbraw/zinc/87/24/69/563872469.db2.gz OQZLHVDQTDWMMK-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN CCCCOc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000035672138 563874200 /nfs/dbraw/zinc/87/42/00/563874200.db2.gz FXXGOGSABWOJQY-UHFFFAOYSA-N 0 0 308.381 4.891 50 0 DJAARN C[C@H](NC(=O)c1ccc(Cl)cc1F)c1cc2ccccc2o1 ZINC000013006819 563875492 /nfs/dbraw/zinc/87/54/92/563875492.db2.gz SPBNKMAOUPVZEP-JTQLQIEISA-N 0 0 317.747 4.716 50 0 DJAARN CCCCOc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000001750786 563877657 /nfs/dbraw/zinc/87/76/57/563877657.db2.gz XOUCYXBDIMUATL-UHFFFAOYSA-N 0 0 306.789 4.504 50 0 DJAARN Cc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@@H]3CCC1 ZINC000055141708 563879057 /nfs/dbraw/zinc/87/90/57/563879057.db2.gz FLUMPRXPCVENMB-OAQYLSRUSA-N 0 0 316.448 4.843 50 0 biogenic DJAARN O=Cc1c(Br)ccc(Cl)c1Oc1ccccc1 ZINC000215765499 563886375 /nfs/dbraw/zinc/88/63/75/563886375.db2.gz WEESJJNEBTZHIB-UHFFFAOYSA-N 0 0 311.562 4.707 50 0 DJAARN CC(C)=CCOc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000000091010 563886551 /nfs/dbraw/zinc/88/65/51/563886551.db2.gz UXKQESFXXWWMDU-UHFFFAOYSA-N 0 0 318.800 4.670 50 0 biogenic DJAARN CCCCc1cc(C(=O)Cc2cc3ccccc3o2)c(O)cc1O ZINC000001799844 563887420 /nfs/dbraw/zinc/88/74/20/563887420.db2.gz NITBHGQOAGFKPB-UHFFFAOYSA-N 0 0 324.376 4.612 50 0 biogenic DJAARN C[C@H](Oc1ccc2ccccc2c1)c1nnc([C@H]2CCCCO2)o1 ZINC000521393871 563887815 /nfs/dbraw/zinc/88/78/15/563887815.db2.gz BNUXJIBEMKRKBI-SUMWQHHRSA-N 0 0 324.380 4.604 50 0 DJAARN CC(C)c1nc2ccc(C(=O)NCCC3=CCCCC3)cc2o1 ZINC000064968309 563895559 /nfs/dbraw/zinc/89/55/59/563895559.db2.gz JXGAIUREMLYYEE-UHFFFAOYSA-N 0 0 312.413 4.572 50 0 DJAARN CC(C)c1nc2ccc(C(=O)NC3CCCCCCC3)cc2o1 ZINC000064968239 563895597 /nfs/dbraw/zinc/89/55/97/563895597.db2.gz GMRJWKIMGJGHCT-UHFFFAOYSA-N 0 0 314.429 4.794 50 0 DJAARN CCc1ccccc1NC(=O)N1C[C@@H](CC)Oc2ccc(C)cc21 ZINC000006843335 563896659 /nfs/dbraw/zinc/89/66/59/563896659.db2.gz BJMCWPSWCXJYJR-MRXNPFEDSA-N 0 0 324.424 4.767 50 0 DJAARN CCCCN(C(=O)c1cc(C)nc2ccccc21)c1ccccc1 ZINC000006880048 563897939 /nfs/dbraw/zinc/89/79/39/563897939.db2.gz YYCBPPCCSBVEJX-UHFFFAOYSA-N 0 0 318.420 4.990 50 0 DJAARN Cc1cccc(CSc2nncn3c4ccsc4cc23)c1 ZINC000006893749 563898669 /nfs/dbraw/zinc/89/86/69/563898669.db2.gz DLNWXJSHEBDGOS-UHFFFAOYSA-N 0 0 311.435 4.545 50 0 DJAARN Clc1ccc(-c2nc(CSc3ncccn3)cs2)cc1 ZINC000006913288 563899020 /nfs/dbraw/zinc/89/90/20/563899020.db2.gz KKHNXSRRZSXSIH-UHFFFAOYSA-N 0 0 319.842 4.546 50 0 DJAARN CCn1c(C)c(C)c2cc(C(=O)NCc3cccc(C)c3)ccc21 ZINC000006912490 563899165 /nfs/dbraw/zinc/89/91/65/563899165.db2.gz OLMYNSWOCRGPNX-UHFFFAOYSA-N 0 0 320.436 4.516 50 0 DJAARN Cc1cc2ccccc2n1-c1ccc(C(=O)NC2CCCC2)s1 ZINC000006914070 563899433 /nfs/dbraw/zinc/89/94/33/563899433.db2.gz ARWYWGCZSMGMNO-UHFFFAOYSA-N 0 0 324.449 4.673 50 0 DJAARN FC(F)Oc1ccc(/C=C/c2nnc(-c3cccs3)o2)cc1 ZINC000006926719 563899605 /nfs/dbraw/zinc/89/96/05/563899605.db2.gz IGRSDSXAJPXIDI-VMPITWQZSA-N 0 0 320.320 4.570 50 0 DJAARN CCOc1ccc(NC(=O)Cc2coc3cc(CC)ccc23)cc1 ZINC000007007539 563901266 /nfs/dbraw/zinc/90/12/66/563901266.db2.gz KDTSKOXWUYVMDM-UHFFFAOYSA-N 0 0 323.392 4.575 50 0 DJAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccncc1 ZINC000007002522 563901295 /nfs/dbraw/zinc/90/12/95/563901295.db2.gz SYKGBLZTHHSTFU-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000036620550 563901606 /nfs/dbraw/zinc/90/16/06/563901606.db2.gz OSDSTZBDTAIMFO-LJQANCHMSA-N 0 0 308.425 4.981 50 0 DJAARN c1ccc(-c2nnc(SC[C@@H]3CCCO3)c3ccccc32)cc1 ZINC000007150851 563903970 /nfs/dbraw/zinc/90/39/70/563903970.db2.gz ZLOZQUUFFIBMSB-HNNXBMFYSA-N 0 0 322.433 4.568 50 0 DJAARN Cc1ccc(-c2nc(S[C@H](C)c3ccc(F)cc3)n[nH]2)cc1 ZINC000007191783 563904345 /nfs/dbraw/zinc/90/43/45/563904345.db2.gz MEKBWRWZWCREQN-GFCCVEGCSA-N 0 0 313.401 4.773 50 0 DJAARN COc1ccc(Cl)cc1CSc1ncnc2sccc21 ZINC000007363467 563905334 /nfs/dbraw/zinc/90/53/34/563905334.db2.gz GVPUJFITTWJURZ-UHFFFAOYSA-N 0 0 322.842 4.646 50 0 DJAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000007402032 563906045 /nfs/dbraw/zinc/90/60/45/563906045.db2.gz MSUKHRDAATVWON-LBPRGKRZSA-N 0 0 323.845 4.654 50 0 DJAARN CC(C)CCc1nc(CSc2ncc3ccccn32)cs1 ZINC000170594514 563907180 /nfs/dbraw/zinc/90/71/80/563907180.db2.gz MVHCJZNCBUCTJR-UHFFFAOYSA-N 0 0 317.483 4.672 50 0 DJAARN Cc1cc(NC(=O)Nc2cccc(F)c2)ccc1Br ZINC000013321282 563909457 /nfs/dbraw/zinc/90/94/57/563909457.db2.gz YIUVHJCFSFRLKR-UHFFFAOYSA-N 0 0 323.165 4.541 50 0 DJAARN CSc1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2)c1 ZINC000013320039 563909545 /nfs/dbraw/zinc/90/95/45/563909545.db2.gz SPRCNTMFJWBEPJ-ZDUSSCGKSA-N 0 0 300.427 4.600 50 0 DJAARN CCOc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000013745082 563909813 /nfs/dbraw/zinc/90/98/13/563909813.db2.gz JUEBJBMTRJVGNL-SNVBAGLBSA-N 0 0 324.833 4.683 50 0 DJAARN CC(=O)c1cccc(NC(=S)Nc2cccc3ccccc32)c1 ZINC000013797050 563910065 /nfs/dbraw/zinc/91/00/65/563910065.db2.gz JYOUYSCZLGYQOI-UHFFFAOYSA-N 0 0 320.417 4.851 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc(OC(C)C)cc2)c(Cl)c1 ZINC000014669416 563910908 /nfs/dbraw/zinc/91/09/08/563910908.db2.gz XIVUDTHAPIVKMZ-UHFFFAOYSA-N 0 0 317.816 4.996 50 0 DJAARN CC(C)Cn1ccc2cc(NC(=O)N3CCCC[C@@H]3C)ccc21 ZINC000089929731 563912301 /nfs/dbraw/zinc/91/23/01/563912301.db2.gz IQPJMOARWXKBNQ-HNNXBMFYSA-N 0 0 313.445 4.704 50 0 DJAARN C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000170639052 563913847 /nfs/dbraw/zinc/91/38/47/563913847.db2.gz APUTVOPWWLJLEB-HUUCEWRRSA-N 0 0 320.436 4.972 50 0 DJAARN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000170639053 563913911 /nfs/dbraw/zinc/91/39/11/563913911.db2.gz APUTVOPWWLJLEB-LSDHHAIUSA-N 0 0 320.436 4.972 50 0 DJAARN O=c1oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 ZINC000002138259 563915418 /nfs/dbraw/zinc/91/54/18/563915418.db2.gz QPFQBBHLYAYWNV-UHFFFAOYSA-N 0 0 324.420 4.700 50 0 biogenic DJAARN O=C(Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000000397516 563915441 /nfs/dbraw/zinc/91/54/41/563915441.db2.gz PMRFDDONDWDTFW-UHFFFAOYSA-N 0 0 301.556 4.866 50 0 DJAARN O=C(Nc1cccc2ccccc21)c1c(O)ccc2ccccc21 ZINC000000395087 563915456 /nfs/dbraw/zinc/91/54/56/563915456.db2.gz QTHDSYVJPYUAAB-UHFFFAOYSA-N 0 0 313.356 4.951 50 0 DJAARN CCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCC)c1 ZINC000001594038 563915674 /nfs/dbraw/zinc/91/56/74/563915674.db2.gz KOBZWUMLQLKNMP-UHFFFAOYSA-N 0 0 322.405 4.692 50 0 DJAARN O=C(CSc1ccc(Cl)cc1)c1c[nH]c2ccccc21 ZINC000007653814 563917676 /nfs/dbraw/zinc/91/76/76/563917676.db2.gz UXNHFZRBIXPKCZ-UHFFFAOYSA-N 0 0 301.798 4.796 50 0 DJAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000007717662 563918093 /nfs/dbraw/zinc/91/80/93/563918093.db2.gz SWSWOCAJHJVWDX-UHFFFAOYSA-N 0 0 317.841 4.803 50 0 DJAARN COC[C@H](C)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000007763383 563918948 /nfs/dbraw/zinc/91/89/48/563918948.db2.gz VLGITKCICLVWST-AWEZNQCLSA-N 0 0 324.449 4.924 50 0 DJAARN C[C@@H](NC(=O)c1sccc1-c1ccccc1)c1ccccc1 ZINC000007779663 563919132 /nfs/dbraw/zinc/91/91/32/563919132.db2.gz HTUFAHNQYNKWAH-CQSZACIVSA-N 0 0 307.418 4.906 50 0 DJAARN C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccs1 ZINC000007792716 563919487 /nfs/dbraw/zinc/91/94/87/563919487.db2.gz YLWCKXUSCMVRSY-OAHLLOKOSA-N 0 0 321.445 4.757 50 0 DJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccccc1 ZINC000007792995 563919519 /nfs/dbraw/zinc/91/95/19/563919519.db2.gz ASJCQDJSOCRMII-UHFFFAOYSA-N 0 0 320.417 4.551 50 0 DJAARN Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(C)c1 ZINC000007918226 563920676 /nfs/dbraw/zinc/92/06/76/563920676.db2.gz GVOSMQMVYILPKS-UHFFFAOYSA-N 0 0 314.435 4.741 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 ZINC000002150304 563920815 /nfs/dbraw/zinc/92/08/15/563920815.db2.gz TYCOSENLZSUWDX-ZDUSSCGKSA-N 0 0 306.818 4.771 50 0 DJAARN Cc1ccccc1C(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC000003090454 563920816 /nfs/dbraw/zinc/92/08/16/563920816.db2.gz VAUDJIBDOMUTDP-UHFFFAOYSA-N 0 0 318.372 4.793 50 0 DJAARN CC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027434220 563920829 /nfs/dbraw/zinc/92/08/29/563920829.db2.gz VRRHHTISESGZFN-LELZANKISA-N 0 0 312.453 4.644 50 0 DJAARN CCCCOc1ccc(Br)c(OCCCC)c1 ZINC000095915461 563924161 /nfs/dbraw/zinc/92/41/61/563924161.db2.gz CHGLFRZSNNPHNM-UHFFFAOYSA-N 0 0 301.224 4.807 50 0 DJAARN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000002284779 563924897 /nfs/dbraw/zinc/92/48/97/563924897.db2.gz YKXUVHMVQAWLHN-UVTDQMKNSA-N 0 0 315.781 4.581 50 0 DJAARN CC(C)c1ccoc1C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000253416569 563925044 /nfs/dbraw/zinc/92/50/44/563925044.db2.gz SNINHEMIVDYEQA-UHFFFAOYSA-N 0 0 324.355 4.856 50 0 DJAARN CC[C@H](OC(=O)CCc1ccc(F)cc1)c1ccnc(Cl)c1 ZINC000253425274 563925147 /nfs/dbraw/zinc/92/51/47/563925147.db2.gz RUHCVTDXBGMJJM-HNNXBMFYSA-N 0 0 321.779 4.501 50 0 DJAARN CCCc1nc(CN2CC(C)(C)[C@H]2c2cccs2)cs1 ZINC000253419957 563925177 /nfs/dbraw/zinc/92/51/77/563925177.db2.gz NAMMITSINBJRQL-OAHLLOKOSA-N 0 0 306.500 4.740 50 0 DJAARN c1csc(-c2csc(-n3nccc3-c3ccccc3)n2)c1 ZINC000008925692 563927510 /nfs/dbraw/zinc/92/75/10/563927510.db2.gz FGTNLWYSFBLCBN-UHFFFAOYSA-N 0 0 309.419 4.724 50 0 DJAARN CCCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 ZINC000002429385 563928427 /nfs/dbraw/zinc/92/84/27/563928427.db2.gz GISRZVHJUKNOQK-UHFFFAOYSA-N 0 0 316.408 4.755 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1F ZINC000012752794 563928964 /nfs/dbraw/zinc/92/89/64/563928964.db2.gz ALGFAHOVPAMZCR-UHFFFAOYSA-N 0 0 320.367 4.757 50 0 DJAARN Cc1nn(C)c(NC(=O)Nc2ccc(C)cc2)c1C1=CCCCC1 ZINC000013365686 563929556 /nfs/dbraw/zinc/92/95/56/563929556.db2.gz UQQOFVOADBCJLX-UHFFFAOYSA-N 0 0 324.428 4.638 50 0 DJAARN CCCn1c2ccccc2nc1NC(=O)Nc1ccc(C)cc1C ZINC000027923576 563930024 /nfs/dbraw/zinc/93/00/24/563930024.db2.gz LRALIEKMFBIORC-UHFFFAOYSA-N 0 0 322.412 4.707 50 0 DJAARN O=C(CCCc1ccccc1)NCCCc1cc2ccccc2o1 ZINC000390832508 563930688 /nfs/dbraw/zinc/93/06/88/563930688.db2.gz ZUEBBJAKGODPED-UHFFFAOYSA-N 0 0 321.420 4.505 50 0 DJAARN Cc1ccc(-c2nc(N3CCCC[C@H]3C)nc3ccccc32)cc1 ZINC000095945537 563932108 /nfs/dbraw/zinc/93/21/08/563932108.db2.gz OBSVDHWCDHMSAQ-MRXNPFEDSA-N 0 0 317.436 4.984 50 0 DJAARN FC(F)(F)[C@H]1CCC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000095955907 563932322 /nfs/dbraw/zinc/93/23/22/563932322.db2.gz HQZVEIMQNVHAMM-BDAKNGLRSA-N 0 0 302.321 4.634 50 0 DJAARN CCC[C@H]([NH2+][C@@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095967622 563932853 /nfs/dbraw/zinc/93/28/53/563932853.db2.gz HKKOZOWBWMGYMS-WFASDCNBSA-N 0 0 323.362 4.687 50 0 DJAARN CCC[C@H]([NH2+][C@H](C)c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095967624 563932997 /nfs/dbraw/zinc/93/29/97/563932997.db2.gz HKKOZOWBWMGYMS-DOMZBBRYSA-N 0 0 323.362 4.687 50 0 DJAARN C[C@@H](c1ccc(C(F)(F)F)cc1)[S@@](=O)c1cccs1 ZINC000095971728 563933407 /nfs/dbraw/zinc/93/34/07/563933407.db2.gz GIHVYPRKMZUQCN-UGZDLDLSSA-N 0 0 304.358 4.636 50 0 DJAARN C[C@@H](Nc1nnc(C(F)F)s1)c1ccc(Cl)c(Cl)c1 ZINC000095971849 563933498 /nfs/dbraw/zinc/93/34/98/563933498.db2.gz HDOOHFJWIQCWSF-RXMQYKEDSA-N 0 0 324.183 4.956 50 0 DJAARN O=C(Nc1ccccc1Cl)c1cccc(Oc2ccccn2)c1 ZINC000096122673 563935672 /nfs/dbraw/zinc/93/56/72/563935672.db2.gz RBFLPVJFIAYHOX-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN O=C(/C=C/c1cccc2cccnc12)OC/C=C\c1ccccc1 ZINC000096401462 563936663 /nfs/dbraw/zinc/93/66/63/563936663.db2.gz CMJHFVPVMFRMFB-VFMLYFKRSA-N 0 0 315.372 4.505 50 0 DJAARN Cc1ccc(C)c([C@@H](C)NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000096437963 563936939 /nfs/dbraw/zinc/93/69/39/563936939.db2.gz MDVNXEVCRSIUCV-MEODZPNASA-N 0 0 313.828 4.847 50 0 DJAARN Fc1ccc(Nc2nc3ccccc3c(N3CCCCC3)n2)cc1 ZINC000002633439 563939734 /nfs/dbraw/zinc/93/97/34/563939734.db2.gz NCTHTALJBJNNAP-UHFFFAOYSA-N 0 0 322.387 4.503 50 0 DJAARN Cc1ccc(OCCCSc2nc3cc(C)ccc3[nH]2)cc1 ZINC000002666048 563940211 /nfs/dbraw/zinc/94/02/11/563940211.db2.gz FBWPSFMGSUEJJC-UHFFFAOYSA-N 0 0 312.438 4.741 50 0 DJAARN CCC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000002661291 563940217 /nfs/dbraw/zinc/94/02/17/563940217.db2.gz ZZNVTTCLCSUAEF-OAHLLOKOSA-N 0 0 317.816 4.871 50 0 DJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1 ZINC000002726192 563940454 /nfs/dbraw/zinc/94/04/54/563940454.db2.gz WUGCEENATUIYSF-UHFFFAOYSA-N 0 0 300.361 4.502 50 0 DJAARN Cc1ccc(-c2nc3ccccc3c(N3CCCCCC3)n2)cc1 ZINC000003018072 563941599 /nfs/dbraw/zinc/94/15/99/563941599.db2.gz FIZGRDILLNFCQJ-UHFFFAOYSA-N 0 0 317.436 4.986 50 0 DJAARN Cc1ccccc1CSCCC(=O)NCCC1=CCCCC1 ZINC000003031810 563941625 /nfs/dbraw/zinc/94/16/25/563941625.db2.gz DSJRLLAGDPVISU-UHFFFAOYSA-N 0 0 317.498 4.625 50 0 DJAARN Cc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc32)cc1 ZINC000003324063 563943430 /nfs/dbraw/zinc/94/34/30/563943430.db2.gz DDWIPRAPOUIPAQ-UHFFFAOYSA-N 0 0 317.436 4.842 50 0 DJAARN CSc1ccc([C@H](C)NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000031694088 563944838 /nfs/dbraw/zinc/94/48/38/563944838.db2.gz OPJUHZIKGBJCTB-JTQLQIEISA-N 0 0 323.820 4.692 50 0 DJAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 ZINC000004023415 563944990 /nfs/dbraw/zinc/94/49/90/563944990.db2.gz HKZWMSPWKAUXGZ-QHPZEKNNSA-N 0 0 316.485 4.757 50 0 biogenic DJAARN O=C1Nc2ccccc2CC[C@H]1Sc1ccc2ccccc2c1 ZINC000032102191 563945275 /nfs/dbraw/zinc/94/52/75/563945275.db2.gz WWWNYWWOTTUKBU-LJQANCHMSA-N 0 0 319.429 4.885 50 0 DJAARN O=C(CCc1ccsc1)N[C@H](c1cccs1)C1CCCC1 ZINC000032396859 563945785 /nfs/dbraw/zinc/94/57/85/563945785.db2.gz HUFAHUNMGMVZTH-KRWDZBQOSA-N 0 0 319.495 4.790 50 0 DJAARN O=C(Nc1cccc2cccnc21)c1cc2c(cccc2F)s1 ZINC000007976780 563945942 /nfs/dbraw/zinc/94/59/42/563945942.db2.gz NFCLTYKJFCXMJB-UHFFFAOYSA-N 0 0 322.364 4.841 50 0 DJAARN O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000008095561 563946619 /nfs/dbraw/zinc/94/66/19/563946619.db2.gz LUCUBPCGBDGKJD-CHWSQXEVSA-N 0 0 317.816 4.739 50 0 DJAARN Cc1nc2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2s1 ZINC000008114653 563946796 /nfs/dbraw/zinc/94/67/96/563946796.db2.gz AQYWRQMRYXWEEO-UHFFFAOYSA-N 0 0 322.433 4.665 50 0 DJAARN O=C(c1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115144 563946809 /nfs/dbraw/zinc/94/68/09/563946809.db2.gz VANSUSTZFWDOIQ-LJQANCHMSA-N 0 0 319.429 4.536 50 0 DJAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 ZINC000008133850 563946836 /nfs/dbraw/zinc/94/68/36/563946836.db2.gz ONCLBOQZEDAFLM-SNVBAGLBSA-N 0 0 318.348 4.868 50 0 DJAARN Cc1cc(C(=O)CCC(=O)Nc2cccc(Cl)c2)c(C)s1 ZINC000008287338 563947465 /nfs/dbraw/zinc/94/74/65/563947465.db2.gz FDLGAJPGYYAHJZ-UHFFFAOYSA-N 0 0 321.829 4.620 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000008289403 563947601 /nfs/dbraw/zinc/94/76/01/563947601.db2.gz NUJYISGMIKRNFN-UHFFFAOYSA-N 0 0 309.796 4.983 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(COC(C)C)cc2)cc1Cl ZINC000008314581 563947877 /nfs/dbraw/zinc/94/78/77/563947877.db2.gz MCBNOGHAWZECEC-UHFFFAOYSA-N 0 0 317.816 4.826 50 0 DJAARN Cc1cc2n(n1)[C@H](c1cccc(Cl)c1)Nc1c(C)cccc1-2 ZINC000008415453 563948651 /nfs/dbraw/zinc/94/86/51/563948651.db2.gz ZXJJEDSPPQWMTL-GOSISDBHSA-N 0 0 309.800 4.793 50 0 DJAARN CC(C)Oc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000008570369 563949236 /nfs/dbraw/zinc/94/92/36/563949236.db2.gz CDIURHSUECTKKQ-UHFFFAOYSA-N 0 0 314.772 4.844 50 0 DJAARN O=C(Nc1ccccn1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000067540898 563949618 /nfs/dbraw/zinc/94/96/18/563949618.db2.gz DJTUWNXLDUHIQD-SFHVURJKSA-N 0 0 317.392 4.604 50 0 DJAARN CC[C@@H](C(=O)Nc1ccc(-c2nccs2)cc1)c1ccccc1 ZINC000009050767 563952042 /nfs/dbraw/zinc/95/20/42/563952042.db2.gz UXRHPZZTKDUHHA-QGZVFWFLSA-N 0 0 322.433 4.942 50 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4.630 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)s1 ZINC000009586591 563956899 /nfs/dbraw/zinc/95/68/99/563956899.db2.gz WYDITMKFJSRLRK-UHFFFAOYSA-N 0 0 318.398 4.571 50 0 DJAARN Cc1ccc(CN(C)Cc2nc3ccccc3c(C)c2Cl)o1 ZINC000009594069 563957143 /nfs/dbraw/zinc/95/71/43/563957143.db2.gz NLNYPYNMHSUVMX-UHFFFAOYSA-N 0 0 314.816 4.730 50 0 DJAARN C[C@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(F)cc1 ZINC000009646985 563957297 /nfs/dbraw/zinc/95/72/97/563957297.db2.gz FHUAMFVFVJYMAI-JTQLQIEISA-N 0 0 317.360 4.671 50 0 DJAARN C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(F)cc1 ZINC000009646986 563957304 /nfs/dbraw/zinc/95/73/04/563957304.db2.gz FHUAMFVFVJYMAI-SNVBAGLBSA-N 0 0 317.360 4.671 50 0 DJAARN Cc1ccc2cc(CSc3nncs3)c(Cl)nc2c1C ZINC000009742977 563957578 /nfs/dbraw/zinc/95/75/78/563957578.db2.gz SZCFMKLFPWSGTO-UHFFFAOYSA-N 0 0 321.858 4.649 50 0 DJAARN CSc1ccc([C@@H]2SCC(=O)Nc3ccsc32)cc1 ZINC000071281143 563957904 /nfs/dbraw/zinc/95/79/04/563957904.db2.gz FMZACMQCGBPAFT-ZDUSSCGKSA-N 0 0 307.465 4.894 50 0 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/nfs/dbraw/zinc/03/10/94/181031094.db2.gz XZVMTMLPPVFRBC-UHFFFAOYSA-N 0 0 322.364 4.644 50 0 DJAARN CCCCc1ccc(NC(=S)Nc2ccc(O)cc2)cc1 ZINC000003504101 181026965 /nfs/dbraw/zinc/02/69/65/181026965.db2.gz OWWWHQHIOXKPPL-UHFFFAOYSA-N 0 0 300.427 4.544 50 0 DJAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000003549522 181032755 /nfs/dbraw/zinc/03/27/55/181032755.db2.gz ZZVNMMGVIRUZFR-UHFFFAOYSA-N 0 0 313.706 4.540 50 0 DJAARN Cc1csc(N(C(=O)/C=C/c2ccccc2)c2ccccc2)n1 ZINC000003554660 181033742 /nfs/dbraw/zinc/03/37/42/181033742.db2.gz BZIFMKIJSQTEEI-OUKQBFOZSA-N 0 0 320.417 4.830 50 0 DJAARN Cc1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1C ZINC000003554235 181033960 /nfs/dbraw/zinc/03/39/60/181033960.db2.gz XCVNLRDJTBNBAF-UHFFFAOYSA-N 0 0 300.427 4.556 50 0 DJAARN Cc1csc(NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000003562055 181034990 /nfs/dbraw/zinc/03/49/90/181034990.db2.gz ZKBFDFAHXVPPPC-UHFFFAOYSA-N 0 0 322.433 4.612 50 0 DJAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(SC)c1 ZINC000003561839 181035197 /nfs/dbraw/zinc/03/51/97/181035197.db2.gz MDTMDCPMCZDUTG-UHFFFAOYSA-N 0 0 323.417 4.823 50 0 DJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000003566696 181035706 /nfs/dbraw/zinc/03/57/06/181035706.db2.gz CCPGZJNEQXUDIF-UHFFFAOYSA-N 0 0 305.255 4.704 50 0 DJAARN COc1cc2c(cc1NC(=O)c1ccccc1)oc1ccccc12 ZINC000003567037 181035760 /nfs/dbraw/zinc/03/57/60/181035760.db2.gz QNRXZZJXWSFHQQ-UHFFFAOYSA-N 0 0 317.344 4.847 50 0 biogenic DJAARN Cc1cccc(C(C)C)c1NC(=O)Cc1ccccc1Cl ZINC000003592012 181038100 /nfs/dbraw/zinc/03/81/00/181038100.db2.gz KHDSYJMCXQPEPX-UHFFFAOYSA-N 0 0 301.817 4.953 50 0 DJAARN Cc1ccc(NC(=O)CSCc2ccccc2)c(Cl)c1 ZINC000003601982 181039064 /nfs/dbraw/zinc/03/90/64/181039064.db2.gz ORJIASGWQUQJDI-UHFFFAOYSA-N 0 0 305.830 4.520 50 0 DJAARN CCC1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000003634781 181042886 /nfs/dbraw/zinc/04/28/86/181042886.db2.gz GKDAZNXYLAPGHR-UHFFFAOYSA-N 0 0 309.862 4.716 50 0 DJAARN CC[C@H]1Sc2sc(=S)sc2S[C@H](CC)C1=O ZINC000003669101 181043970 /nfs/dbraw/zinc/04/39/70/181043970.db2.gz KMVDXKMWBUTTGW-PHDIDXHHSA-N 0 0 308.540 4.863 50 0 DJAARN Cc1ccccc1Nc1c(-c2ccc(F)cc2)nc2cnccn21 ZINC000003896481 181053811 /nfs/dbraw/zinc/05/38/11/181053811.db2.gz NTKBCHHCCDGYQL-UHFFFAOYSA-N 0 0 318.355 4.587 50 0 DJAARN Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3cnccn32)cc1 ZINC000003896522 181053871 /nfs/dbraw/zinc/05/38/71/181053871.db2.gz XICDIBBCVLLYIT-UHFFFAOYSA-N 0 0 314.392 4.757 50 0 DJAARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003833952 181048049 /nfs/dbraw/zinc/04/80/49/181048049.db2.gz XMRPGKVKISIQBV-BJMCWZGWSA-N 0 0 316.485 4.803 50 0 endogenous,in-man DJAARN CCCCCC[C@@H]1OC[C@]2(COC(C)=O)[C@H](C)C=C(C)[C@H]1[C@H]2C ZINC000004027014 181063528 /nfs/dbraw/zinc/06/35/28/181063528.db2.gz AJARVPVQKHTUGJ-OMZCVMJRSA-N 0 0 322.489 4.753 50 0 biogenic DJAARN Clc1ccc(-c2cn3c4c(sc3n2)CCCCC4)cc1 ZINC000004025540 181063601 /nfs/dbraw/zinc/06/36/01/181063601.db2.gz OVVLXNOQITVEQQ-UHFFFAOYSA-N 0 0 302.830 4.985 50 0 DJAARN Cc1ccccc1Nc1c(-c2ccccc2O)nc2ccccn21 ZINC000003911563 181057599 /nfs/dbraw/zinc/05/75/99/181057599.db2.gz CLZFOVQBBYTOQD-UHFFFAOYSA-N 0 0 315.376 4.759 50 0 DJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000003958939 181059681 /nfs/dbraw/zinc/05/96/81/181059681.db2.gz DZLFKQJPFWHTQA-UHFFFAOYSA-N 0 0 314.599 4.577 50 0 DJAARN COC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000003982465 181059866 /nfs/dbraw/zinc/05/98/66/181059866.db2.gz HECCEGWAJYZYKW-SJFWLOONSA-N 0 0 314.469 4.858 50 0 biogenic DJAARN COc1ccccc1N[C@H](C)CC(=O)[C@H]1[C@H](C)C=CCC1(C)C ZINC000003999258 181060420 /nfs/dbraw/zinc/06/04/20/181060420.db2.gz NWPFUGLRWBMGIL-SPYBWZPUSA-N 0 0 315.457 4.693 50 0 biogenic DJAARN C(=C/c1nccc2c3ccccc3[nH]c21)\c1ccc2c(c1)OCO2 ZINC000004000208 181060788 /nfs/dbraw/zinc/06/07/88/181060788.db2.gz DIXVUMFALGTULE-FNORWQNLSA-N 0 0 314.344 4.615 50 0 biogenic DJAARN CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000004056201 181067328 /nfs/dbraw/zinc/06/73/28/181067328.db2.gz MORNTLFCLVWDED-HZPDHXFCSA-N 0 0 312.409 4.771 50 0 DJAARN CC[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000004056204 181067627 /nfs/dbraw/zinc/06/76/27/181067627.db2.gz MORNTLFCLVWDED-HOTGVXAUSA-N 0 0 312.409 4.771 50 0 DJAARN Cc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000004071300 181069609 /nfs/dbraw/zinc/06/96/09/181069609.db2.gz KZACTFUJXVGYCU-UHFFFAOYSA-N 0 0 317.801 4.902 50 0 DJAARN Cc1nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2s1 ZINC000004072499 181069966 /nfs/dbraw/zinc/06/99/66/181069966.db2.gz HIMRLKKKYWGNFJ-UHFFFAOYSA-N 0 0 317.801 4.902 50 0 DJAARN CC(C)Oc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 ZINC000004123984 181076792 /nfs/dbraw/zinc/07/67/92/181076792.db2.gz RRVCLPVAZSCUMH-UXBLZVDNSA-N 0 0 305.377 4.898 50 0 DJAARN CCCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004258020 181088490 /nfs/dbraw/zinc/08/84/90/181088490.db2.gz NAJJEOXTJHFQBK-UHFFFAOYSA-N 0 0 313.441 4.630 50 0 DJAARN N=c1scc(-c2ccccc2)n1-c1cccc(Cl)c1Cl ZINC000004306881 181094885 /nfs/dbraw/zinc/09/48/85/181094885.db2.gz KDWDFXZVFARMPJ-UHFFFAOYSA-N 0 0 321.232 4.992 50 0 DJAARN Cc1cc(Cl)cc2sc(NC(=O)c3ccccc3F)nc21 ZINC000004331308 181098604 /nfs/dbraw/zinc/09/86/04/181098604.db2.gz QYCPCSDCCFPSTP-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN CCOc1c(/C=C/c2ccc3cccc(O)c3n2)cccc1OC ZINC000004414021 181108388 /nfs/dbraw/zinc/10/83/88/181108388.db2.gz DNPDIGNZZRTVGW-ACCUITESSA-N 0 0 321.376 4.518 50 0 DJAARN Cc1oc2ccc(O)cc2c1C(=O)Nc1cccc(Cl)c1C ZINC000004426129 181109157 /nfs/dbraw/zinc/10/91/57/181109157.db2.gz LBQWBZDDCBSLMV-UHFFFAOYSA-N 0 0 315.756 4.661 50 0 DJAARN Cc1nc(-c2cccc(NC(=O)/C=C/c3ccccc3)c2)cs1 ZINC000004393861 181106596 /nfs/dbraw/zinc/10/65/96/181106596.db2.gz POCJICDYLNLFEP-ZHACJKMWSA-N 0 0 320.417 4.770 50 0 DJAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1F ZINC000004538912 181122014 /nfs/dbraw/zinc/12/20/14/181122014.db2.gz HLRNRVGSBYBSLD-UHFFFAOYSA-N 0 0 305.308 4.977 50 0 DJAARN CCCCc1ccc(NC(=O)c2cccc(OC)c2Cl)cc1 ZINC000004542869 181122734 /nfs/dbraw/zinc/12/27/34/181122734.db2.gz FBNQZVIHHUBHHP-UHFFFAOYSA-N 0 0 317.816 4.944 50 0 DJAARN Fc1ccc(Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000004473194 181111371 /nfs/dbraw/zinc/11/13/71/181111371.db2.gz COALUDVCFGTJKO-UHFFFAOYSA-N 0 0 305.765 4.741 50 0 DJAARN O=C1C[C@@H](c2ccccc2Cl)c2ccc3c(O)cccc3c2N1 ZINC000004488841 181114383 /nfs/dbraw/zinc/11/43/83/181114383.db2.gz GKOBVHDVNWGJQR-HNNXBMFYSA-N 0 0 323.779 4.673 50 0 DJAARN O=c1oc(-c2ccccc2F)cc2sc3c(c21)CCCCC3 ZINC000004499567 181115956 /nfs/dbraw/zinc/11/59/56/181115956.db2.gz UEFWSPHEQNELGL-UHFFFAOYSA-N 0 0 314.381 4.930 50 0 DJAARN CCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(C)cc1 ZINC000004567910 181125076 /nfs/dbraw/zinc/12/50/76/181125076.db2.gz NPDDNFHIQBWRDC-ZZEZOPTASA-N 0 0 312.413 4.916 50 0 DJAARN COc1ccc(-c2csc(Nc3ccccc3OC)n2)cc1 ZINC000004567418 181125272 /nfs/dbraw/zinc/12/52/72/181125272.db2.gz USVQXDMUIGOGGP-UHFFFAOYSA-N 0 0 312.394 4.571 50 0 DJAARN Cc1ccsc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000004571568 181125862 /nfs/dbraw/zinc/12/58/62/181125862.db2.gz GWRODVCDMCZULP-XLKFXECMSA-N 0 0 318.467 4.672 50 0 DJAARN CCCCc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 ZINC000004589410 181127860 /nfs/dbraw/zinc/12/78/60/181127860.db2.gz NKFXESLIXDQRDK-AQTBWJFISA-N 0 0 323.367 4.513 50 0 DJAARN Cc1ccc(/C=C/C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1 ZINC000004589938 181128007 /nfs/dbraw/zinc/12/80/07/181128007.db2.gz WNGCZBYPZNKOEC-LWINHUFBSA-N 0 0 323.779 4.658 50 0 DJAARN CCCCc1ccc(C2=N/C(=C\c3cccc(F)c3)C(=O)O2)cc1 ZINC000004589426 181128152 /nfs/dbraw/zinc/12/81/52/181128152.db2.gz LCFRYZVGPXRAHN-AQTBWJFISA-N 0 0 323.367 4.513 50 0 DJAARN O=C(Nc1ccc2ccccc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000004592002 181128189 /nfs/dbraw/zinc/12/81/89/181128189.db2.gz GCORRKUUJXYDDM-UHFFFAOYSA-N 0 0 305.421 4.995 50 0 DJAARN C[C@@H](NC(=O)c1ccc(-c2cccs2)cc1)c1ccccc1 ZINC000004600297 181128481 /nfs/dbraw/zinc/12/84/81/181128481.db2.gz JRTRCPBTFSQENY-CQSZACIVSA-N 0 0 307.418 4.906 50 0 DJAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 ZINC000004545375 181123317 /nfs/dbraw/zinc/12/33/17/181123317.db2.gz BXQVYOKAFFIKKJ-ZBEGNZNMSA-N 0 0 312.438 4.692 50 0 DJAARN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004660751 181133263 /nfs/dbraw/zinc/13/32/63/181133263.db2.gz XHLFJIJKSHCBFO-GFCCVEGCSA-N 0 0 323.845 4.654 50 0 DJAARN Cc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(O)c1 ZINC000004666379 181134003 /nfs/dbraw/zinc/13/40/03/181134003.db2.gz QILNOOMXJMRWDX-OAHLLOKOSA-N 0 0 311.425 4.641 50 0 DJAARN Cc1ccc(O)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000004666377 181134054 /nfs/dbraw/zinc/13/40/54/181134054.db2.gz LVSHMMKOFVRCFS-OAHLLOKOSA-N 0 0 311.425 4.641 50 0 DJAARN COc1ccc(C[C@@H](C)CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000004672699 181134901 /nfs/dbraw/zinc/13/49/01/181134901.db2.gz RHAZQLAHMSBRLP-OAHLLOKOSA-N 0 0 311.425 4.519 50 0 DJAARN COc1cc(C)ccc1OCCCCOc1cc(C)cc(C)c1 ZINC000004702068 181139123 /nfs/dbraw/zinc/13/91/23/181139123.db2.gz BHANZQZDFHSABU-UHFFFAOYSA-N 0 0 314.425 4.858 50 0 DJAARN CCOc1ccccc1OCCCOc1cc(C)ccc1Cl ZINC000004701928 181139229 /nfs/dbraw/zinc/13/92/29/181139229.db2.gz QKAIKIGEARIMAI-UHFFFAOYSA-N 0 0 320.816 4.895 50 0 DJAARN COc1cc(C)ccc1OCCCOc1cc(C)ccc1Cl ZINC000004702124 181139751 /nfs/dbraw/zinc/13/97/51/181139751.db2.gz UQLBANUOJDKQTK-UHFFFAOYSA-N 0 0 320.816 4.813 50 0 DJAARN Cc1ccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)cc1 ZINC000004678459 181135310 /nfs/dbraw/zinc/13/53/10/181135310.db2.gz FTGDPAQFEBIKLX-UHFFFAOYSA-N 0 0 321.811 4.969 50 0 DJAARN COC(=O)c1ccccc1C(c1ccccc1)c1ccccc1 ZINC000004722994 181142191 /nfs/dbraw/zinc/14/21/91/181142191.db2.gz XWPJYAWEQCGKRJ-UHFFFAOYSA-N 0 0 302.373 4.653 50 0 DJAARN CC(C)(C)[C@H]1CCc2nc3sc4c(c3c(N)c2C1)CCCC4 ZINC000004721798 181142259 /nfs/dbraw/zinc/14/22/59/181142259.db2.gz IMKUDKQDFZSLMA-NSHDSACASA-N 0 0 314.498 4.908 50 0 DJAARN CC[C@@H](O)c1cc(Cl)ccc1NC(=O)c1ccccc1Cl ZINC000004733168 181144431 /nfs/dbraw/zinc/14/44/31/181144431.db2.gz LOXYQSWFXSVHEQ-OAHLLOKOSA-N 0 0 324.207 4.689 50 0 DJAARN O=C(NCc1csc2c1CCCC2)Nc1cccc(Cl)c1 ZINC000004776516 181151068 /nfs/dbraw/zinc/15/10/68/181151068.db2.gz KPOMDRYNWRCSHQ-UHFFFAOYSA-N 0 0 320.845 4.602 50 0 DJAARN Cc1ccc([C@](O)(c2cccc(C)c2)c2ccccc2C)cc1 ZINC000004798665 181153214 /nfs/dbraw/zinc/15/32/14/181153214.db2.gz JMDZYVSTPMJXTK-QFIPXVFZSA-N 0 0 302.417 4.896 50 0 DJAARN COc1ccc2c(ccc3c2CC[C@]2(C)[C@H](OC(C)=O)CC[C@@H]32)c1 ZINC000004811094 181154404 /nfs/dbraw/zinc/15/44/04/181154404.db2.gz JCRFIZBVXKZZHN-HBMCJLEFSA-N 0 0 324.420 4.610 50 0 DJAARN Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1Br ZINC000004820340 181156465 /nfs/dbraw/zinc/15/64/65/181156465.db2.gz OYYVPOWWODWCHW-UHFFFAOYSA-N 0 0 318.214 4.627 50 0 DJAARN Cc1cc2occ(CC(=O)Oc3cc(C)cc(C)c3)c2c(C)c1 ZINC000004821340 181156686 /nfs/dbraw/zinc/15/66/86/181156686.db2.gz ACACTYAFKIMGLR-UHFFFAOYSA-N 0 0 308.377 4.815 50 0 DJAARN Cc1cccc(OCc2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000004832036 181158670 /nfs/dbraw/zinc/15/86/70/181158670.db2.gz XTBJXSLCUSLJSR-UHFFFAOYSA-N 0 0 323.436 4.637 50 0 DJAARN Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(F)cc1 ZINC000004834496 181159244 /nfs/dbraw/zinc/15/92/44/181159244.db2.gz BCOFWLAMZMBITE-UHFFFAOYSA-N 0 0 323.820 4.659 50 0 DJAARN CC(C)(C)c1ccccc1NC(=O)CCCOc1ccccc1 ZINC000004834308 181159328 /nfs/dbraw/zinc/15/93/28/181159328.db2.gz ABDMFNDFJVQVNN-UHFFFAOYSA-N 0 0 311.425 4.782 50 0 DJAARN COc1c(C)cccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000004843067 181161877 /nfs/dbraw/zinc/16/18/77/181161877.db2.gz JGRNASVEQCMQSH-UHFFFAOYSA-N 0 0 310.180 4.563 50 0 DJAARN O=C(NC1CCCCC1)c1ccc(CSc2ccccc2)o1 ZINC000004858641 181164351 /nfs/dbraw/zinc/16/43/51/181164351.db2.gz CLMUCVNTXBXQOK-UHFFFAOYSA-N 0 0 315.438 4.634 50 0 DJAARN Cc1ccc(/C=C/C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004893131 181169252 /nfs/dbraw/zinc/16/92/52/181169252.db2.gz ZBGGPKGVFRMTHB-TWOGEZQMSA-N 0 0 323.480 4.729 50 0 DJAARN Cc1cc(C)cc(C(=O)N(c2ccccn2)[C@H](C)c2ccco2)c1 ZINC000004869220 181166369 /nfs/dbraw/zinc/16/63/69/181166369.db2.gz BNIHVPWNNMNBTB-MRXNPFEDSA-N 0 0 320.392 4.699 50 0 DJAARN Cc1ccc2c(c1C)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000004911725 181172345 /nfs/dbraw/zinc/17/23/45/181172345.db2.gz IJZCRCZOWPTRBM-CQSZACIVSA-N 0 0 319.326 4.796 50 0 DJAARN CC[C@H](O)c1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000004911210 181172469 /nfs/dbraw/zinc/17/24/69/181172469.db2.gz HCJQYYDDDOYALK-IBGZPJMESA-N 0 0 308.425 4.651 50 0 DJAARN CC[C@@H](C)NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938098 181175667 /nfs/dbraw/zinc/17/56/67/181175667.db2.gz QMZPPZDNXSZOMW-SECBINFHSA-N 0 0 318.829 4.631 50 0 DJAARN C[C@H]1CCc2c(sc3nc(-c4ccc(Cl)cc4)cn23)C1 ZINC000004955233 181178844 /nfs/dbraw/zinc/17/88/44/181178844.db2.gz BZYJAJXMTYVCJL-JTQLQIEISA-N 0 0 302.830 4.841 50 0 DJAARN Fc1ccccc1C1N=NC(=S)N1c1cccc2ccccc21 ZINC000004954235 181179057 /nfs/dbraw/zinc/17/90/57/181179057.db2.gz MCIIIGBFWVUPLT-UHFFFAOYSA-N 0 0 321.380 4.515 50 0 DJAARN FC1(F)C[C@H](c2ccc(Br)cc2)C1(Cl)Cl ZINC000074937885 191390799 /nfs/dbraw/zinc/39/07/99/191390799.db2.gz KEMBDAPJMCGNRH-MRVPVSSYSA-N 0 0 315.972 4.746 50 0 DJAARN FC1(F)C[C@@H](c2ccc(Br)cc2)C1(Cl)Cl ZINC000074937884 191391518 /nfs/dbraw/zinc/39/15/18/191391518.db2.gz KEMBDAPJMCGNRH-QMMMGPOBSA-N 0 0 315.972 4.746 50 0 DJAARN CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000005005802 181188780 /nfs/dbraw/zinc/18/87/80/181188780.db2.gz FTGXYKWPWLGYJK-UHFFFAOYSA-N 0 0 303.833 4.766 50 0 DJAARN Clc1ccc([C@H]2NN=C(Cc3ccccc3)S2)c(Cl)c1 ZINC000005019005 181191530 /nfs/dbraw/zinc/19/15/30/181191530.db2.gz TYZGGXHIRNAQSU-HNNXBMFYSA-N 0 0 323.248 4.885 50 0 DJAARN CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2 ZINC000005035263 181194444 /nfs/dbraw/zinc/19/44/44/181194444.db2.gz DZZINPSDHFCISW-UHFFFAOYSA-N 0 0 306.390 4.562 50 0 DJAARN O=C(Nc1ccccc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000005034711 181194596 /nfs/dbraw/zinc/19/45/96/181194596.db2.gz HXDYFYMTMBIZIB-UHFFFAOYSA-N 0 0 314.344 4.747 50 0 DJAARN C[C@H](CNC(=O)c1csc2c1CCCCC2)c1ccccc1 ZINC000005070383 181200441 /nfs/dbraw/zinc/20/04/41/181200441.db2.gz HUHOQXOXFOHWRA-CQSZACIVSA-N 0 0 313.466 4.551 50 0 DJAARN COc1ccc(Cl)cc1NC(=O)c1csc2c1CCCC2 ZINC000005070091 181200460 /nfs/dbraw/zinc/20/04/60/181200460.db2.gz QVELQKWJJSPMJT-UHFFFAOYSA-N 0 0 321.829 4.541 50 0 DJAARN COc1ccc(O)c(-c2cc(-c3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000005061672 181199174 /nfs/dbraw/zinc/19/91/74/181199174.db2.gz KHWATZKJNWPAQQ-UHFFFAOYSA-N 0 0 322.408 4.755 50 0 DJAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000005126492 181206480 /nfs/dbraw/zinc/20/64/80/181206480.db2.gz KLZOIXHHWLJICL-UHFFFAOYSA-N 0 0 323.845 4.573 50 0 DJAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000005127072 181207518 /nfs/dbraw/zinc/20/75/18/181207518.db2.gz UWRVUKMDFFMSRS-UHFFFAOYSA-N 0 0 323.845 4.573 50 0 DJAARN CCc1cccc2c(-c3csc(-c4ccccn4)n3)c[nH]c21 ZINC000005156862 181211627 /nfs/dbraw/zinc/21/16/27/181211627.db2.gz KHHUOVXGFVLDQX-UHFFFAOYSA-N 0 0 305.406 4.916 50 0 DJAARN CCC(=O)Nc1ccc(-c2csc(-c3cccs3)n2)cc1 ZINC000005156848 181211949 /nfs/dbraw/zinc/21/19/49/181211949.db2.gz RNZKNRXKUKFCBA-UHFFFAOYSA-N 0 0 314.435 4.887 50 0 DJAARN COc1cc(/C=C/CO)ccc1OC/C=C(\C)CCC=C(C)C ZINC000005158595 181211990 /nfs/dbraw/zinc/21/19/90/181211990.db2.gz UJQXYSRVSXKEES-YIERNNEGSA-N 0 0 316.441 4.772 50 0 biogenic,in-vitro DJAARN CC(=O)c1c(C)[nH]c(-c2csc(-c3cccs3)n2)c1C ZINC000005156842 181212017 /nfs/dbraw/zinc/21/20/17/181212017.db2.gz RRHCJOQBURSPCI-UHFFFAOYSA-N 0 0 302.424 4.686 50 0 DJAARN C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccc(Cl)s1 ZINC000078556144 191885085 /nfs/dbraw/zinc/88/50/85/191885085.db2.gz AVUHAUFEYMAAFG-NIVTXAMTSA-N 0 0 302.823 4.551 50 0 DJAARN Cc1ccccc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000005184641 181214673 /nfs/dbraw/zinc/21/46/73/181214673.db2.gz WFGZSWWVPOUZBC-UHFFFAOYSA-N 0 0 307.393 4.542 50 0 DJAARN CCc1nc2c3ccccc3oc2c(Nc2cccc(F)c2)n1 ZINC000005186371 181214978 /nfs/dbraw/zinc/21/49/78/181214978.db2.gz ZPYGMHSTLXFWQU-UHFFFAOYSA-N 0 0 307.328 4.821 50 0 DJAARN CCn1cc(NC(=O)N[C@@H](C)c2ccccc2)c2ccccc21 ZINC000005266058 181224081 /nfs/dbraw/zinc/22/40/81/181224081.db2.gz CWEAXIMBIHJFSL-AWEZNQCLSA-N 0 0 307.397 4.544 50 0 DJAARN COc1ccc(NC(=O)Cc2ccc(C)cc2C)c2ccccc12 ZINC000005268110 181224537 /nfs/dbraw/zinc/22/45/37/181224537.db2.gz KKRXGLWKQYCEJO-UHFFFAOYSA-N 0 0 319.404 4.646 50 0 DJAARN CC(C)CC[C@@H](CCNC(=O)c1cccs1)c1ccco1 ZINC000005245683 181221226 /nfs/dbraw/zinc/22/12/26/181221226.db2.gz CBVGUMRYPAJOTC-AWEZNQCLSA-N 0 0 305.443 4.681 50 0 DJAARN CC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005495824 181250035 /nfs/dbraw/zinc/25/00/35/181250035.db2.gz FCYMXIXGFAMKKU-UHFFFAOYSA-N 0 0 323.179 4.840 50 0 DJAARN O=C(NCc1cccs1)c1sc2ccccc2c1Cl ZINC000005419108 181241225 /nfs/dbraw/zinc/24/12/25/181241225.db2.gz VVPDOMSNFDDLLT-UHFFFAOYSA-N 0 0 307.827 4.546 50 0 DJAARN CCCC[C@@H](CC)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000005466538 181247086 /nfs/dbraw/zinc/24/70/86/181247086.db2.gz FKRJESBCWRUBHZ-LJQANCHMSA-N 0 0 301.474 4.684 50 0 DJAARN O=C(Cc1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000005517507 181252442 /nfs/dbraw/zinc/25/24/42/181252442.db2.gz FCPDPGNXSWFUBW-UHFFFAOYSA-N 0 0 303.386 4.875 50 0 DJAARN CC(C)(C)Cc1nc2ccccc2n1CCOc1ccccc1 ZINC000005545659 181255387 /nfs/dbraw/zinc/25/53/87/181255387.db2.gz JRGCHGMKCOCLQG-UHFFFAOYSA-N 0 0 308.425 4.704 50 0 DJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2ccco2)c1 ZINC000005545709 181255571 /nfs/dbraw/zinc/25/55/71/181255571.db2.gz IGXVDBVRAIUMMD-UHFFFAOYSA-N 0 0 302.377 4.961 50 0 DJAARN Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000005549086 181256242 /nfs/dbraw/zinc/25/62/42/181256242.db2.gz AAVXLYDIKAOJPV-NRFANRHFSA-N 0 0 315.416 4.709 50 0 DJAARN O=C(Nc1ccccn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000005572280 181258478 /nfs/dbraw/zinc/25/84/78/181258478.db2.gz FMHVLVMRHSOZDT-GOSISDBHSA-N 0 0 320.417 4.554 50 0 DJAARN S=C(Nc1ccccc1Cl)N[C@H]1CCCc2ccccc21 ZINC000005603381 181262206 /nfs/dbraw/zinc/26/22/06/181262206.db2.gz OGRQOZRFJWYRLP-HNNXBMFYSA-N 0 0 316.857 4.704 50 0 DJAARN CCCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000005591082 181261161 /nfs/dbraw/zinc/26/11/61/181261161.db2.gz RVHYOZVVVRVWEE-AZUAARDMSA-N 0 0 324.399 4.886 50 0 DJAARN Cc1ccc(NC(=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000005637188 181266886 /nfs/dbraw/zinc/26/68/86/181266886.db2.gz FTENANFVIFOOGV-UHFFFAOYSA-N 0 0 324.605 4.663 50 0 DJAARN c1c(-c2ccccc2)sc2ncnc(Oc3cccnc3)c12 ZINC000005704350 181274553 /nfs/dbraw/zinc/27/45/53/181274553.db2.gz KFZQJNYXYIZTCB-UHFFFAOYSA-N 0 0 305.362 4.546 50 0 DJAARN Brc1cccc(-c2cccc(Br)c2)c1 ZINC000081224724 192237375 /nfs/dbraw/zinc/23/73/75/192237375.db2.gz LPLLWKZDMKTEMV-UHFFFAOYSA-N 0 0 312.004 4.879 50 0 DJAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000005692662 181273296 /nfs/dbraw/zinc/27/32/96/181273296.db2.gz NVGBXDRNUDJQGM-LBPRGKRZSA-N 0 0 310.422 4.562 50 0 DJAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(C)=O)cc3)nc2c1 ZINC000005719007 181275991 /nfs/dbraw/zinc/27/59/91/181275991.db2.gz OWQFPNVQXGAYLC-GFCCVEGCSA-N 0 0 308.381 4.967 50 0 DJAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)c1 ZINC000005724814 181276815 /nfs/dbraw/zinc/27/68/15/181276815.db2.gz XACRPFCJICVYFA-KRWDZBQOSA-N 0 0 317.841 4.735 50 0 DJAARN c1coc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000005739547 181279453 /nfs/dbraw/zinc/27/94/53/181279453.db2.gz ULMOQLDRSHNYMN-KDOFPFPSSA-N 0 0 322.389 4.583 50 0 DJAARN CC(=O)c1sc(Nc2cccc(Cl)c2Cl)nc1C ZINC000005749365 181280448 /nfs/dbraw/zinc/28/04/48/181280448.db2.gz IQJRXXREZSVCRO-UHFFFAOYSA-N 0 0 301.198 4.705 50 0 DJAARN O=C(Nc1cccnc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000005775727 181283085 /nfs/dbraw/zinc/28/30/85/181283085.db2.gz ZYEWXEYFIGFEEL-UHFFFAOYSA-N 0 0 308.768 4.654 50 0 DJAARN Cc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1 ZINC000005814324 181286165 /nfs/dbraw/zinc/28/61/65/181286165.db2.gz ICSFQCXYTACTTN-UHFFFAOYSA-N 0 0 318.445 4.843 50 0 DJAARN CCCCCCSc1nnc2c3cc(CC)ccc3[nH]c2n1 ZINC000005826036 181286784 /nfs/dbraw/zinc/28/67/84/181286784.db2.gz ONDRVVQJHOFFNQ-UHFFFAOYSA-N 0 0 314.458 4.741 50 0 DJAARN CCCc1nc2sc3c([nH]cnc3=S)c2c2c1CCCC2 ZINC000005822853 181286912 /nfs/dbraw/zinc/28/69/12/181286912.db2.gz XTLDKDBOQRDKAA-UHFFFAOYSA-N 0 0 315.467 4.733 50 0 DJAARN CCOc1cc(/C=C/c2nc3ccccc3s2)ccc1OC ZINC000005851293 181289932 /nfs/dbraw/zinc/28/99/32/181289932.db2.gz SMXFGZTXTKSCGS-PKNBQFBNSA-N 0 0 311.406 4.874 50 0 DJAARN CCCCCC1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000005860092 181290557 /nfs/dbraw/zinc/29/05/57/181290557.db2.gz RONHNZGKABNVHN-UHFFFAOYSA-N 0 0 317.429 4.741 50 0 DJAARN Cc1ccc(-c2nnc(SCc3cccc(Cl)c3)o2)cc1 ZINC000005864391 181291171 /nfs/dbraw/zinc/29/11/71/181291171.db2.gz YSOFKJNCJGESDH-UHFFFAOYSA-N 0 0 316.813 4.991 50 0 DJAARN Cc1n[nH]c(C)c1CCCOc1c(C)cc(Cl)cc1Cl ZINC000005885361 181292867 /nfs/dbraw/zinc/29/28/67/181292867.db2.gz YZMJWWJNWZGMKK-UHFFFAOYSA-N 0 0 313.228 4.653 50 0 DJAARN CCCCn1c(=S)[nH]nc1-c1csc2c1CC[C@@H](C)C2 ZINC000005898070 181294157 /nfs/dbraw/zinc/29/41/57/181294157.db2.gz QKXHMCGQQAEFLP-SNVBAGLBSA-N 0 0 307.488 4.594 50 0 DJAARN CCCc1nc2c(c3[nH]c4ccccc4c31)C(=O)CC(C)(C)C2 ZINC000005904209 181295144 /nfs/dbraw/zinc/29/51/44/181295144.db2.gz LKMTXNPWZWZNFS-UHFFFAOYSA-N 0 0 306.409 4.824 50 0 biogenic DJAARN Fc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH]c3=S)c1 ZINC000005905890 181295238 /nfs/dbraw/zinc/29/52/38/181295238.db2.gz PCRMKICQPYZPNC-UHFFFAOYSA-N 0 0 321.380 4.889 50 0 DJAARN CC(=O)[C@H](c1ccccc1)C1=NC(C)(C)Cc2cc(C)c(C)cc21 ZINC000005926747 181296642 /nfs/dbraw/zinc/29/66/42/181296642.db2.gz XZJVLPNJRQAAFY-HXUWFJFHSA-N 0 0 319.448 4.800 50 0 DJAARN O=C(Nc1ccc(F)cc1)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000005934844 181298099 /nfs/dbraw/zinc/29/80/99/181298099.db2.gz KRJDUTPORWDQEU-IBGZPJMESA-N 0 0 320.367 4.618 50 0 DJAARN COc1ccccc1NC(=O)O[C@H](C)c1ccc(Cl)cc1 ZINC000005938816 181298638 /nfs/dbraw/zinc/29/86/38/181298638.db2.gz HOPIPQZULWONOB-LLVKDONJSA-N 0 0 305.761 4.658 50 0 DJAARN COc1ccc([C@H]2CCCN2c2nccc3ccc(F)cc32)cc1 ZINC000089442081 192791555 /nfs/dbraw/zinc/79/15/55/192791555.db2.gz ISDDIGZWODXKEQ-LJQANCHMSA-N 0 0 322.383 4.724 50 0 DJAARN CCc1ccc2nc(NC(=O)C3(c4ccccc4)CC3)sc2c1 ZINC000006078851 181310764 /nfs/dbraw/zinc/31/07/64/181310764.db2.gz SLSRZVZGVFDPAZ-UHFFFAOYSA-N 0 0 322.433 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CCC[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000016021485 182029149 /nfs/dbraw/zinc/02/91/49/182029149.db2.gz ADHBSPAVVCRZPP-WRUMOOJNSA-N 0 0 311.469 4.655 50 0 DJAARN CSc1cccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c1 ZINC000016233578 182037682 /nfs/dbraw/zinc/03/76/82/182037682.db2.gz ABSGVVHPUAMMMI-JIAJSWDESA-N 0 0 313.422 4.777 50 0 DJAARN CSc1cccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1 ZINC000016233576 182037828 /nfs/dbraw/zinc/03/78/28/182037828.db2.gz ABSGVVHPUAMMMI-BUCOOAGHSA-N 0 0 313.422 4.777 50 0 DJAARN CCCCn1c2ccccc2nc1NCc1ccc(OCC)cc1 ZINC000016319831 182040308 /nfs/dbraw/zinc/04/03/08/182040308.db2.gz GAWFNQKZMNSTCS-UHFFFAOYSA-N 0 0 323.440 4.847 50 0 DJAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000016303310 182039408 /nfs/dbraw/zinc/03/94/08/182039408.db2.gz QOMGIXVWKMTGDT-RISCZKNCSA-N 0 0 301.773 4.727 50 0 DJAARN Cc1ccc(NC(=O)c2sc3cccc(F)c3c2Cl)nc1 ZINC000016605180 182053454 /nfs/dbraw/zinc/05/34/54/182053454.db2.gz BUDIVCSXRLCXKA-UHFFFAOYSA-N 0 0 320.776 4.650 50 0 DJAARN O=c1c2sc(=S)n(-c3ccccc3)c2[nH]c2ccccc21 ZINC000016523965 182048354 /nfs/dbraw/zinc/04/83/54/182048354.db2.gz BTBKVYLBZVHLIL-UHFFFAOYSA-N 0 0 310.403 4.675 50 0 DJAARN CCOc1ccc2[nH]c(COc3ccc(C(C)C)cc3)nc2c1 ZINC000016903856 182063753 /nfs/dbraw/zinc/06/37/53/182063753.db2.gz APDLGKNDDXIWRW-UHFFFAOYSA-N 0 0 310.397 4.664 50 0 DJAARN CC(C)c1ccc([C@@H]2NC(=O)N=C3c4ccccc4CCC32)cc1 ZINC000016972934 182067393 /nfs/dbraw/zinc/06/73/93/182067393.db2.gz ZGEPBEZNBKLBQM-IBGZPJMESA-N 0 0 318.420 4.521 50 0 DJAARN C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 ZINC000017334480 182083808 /nfs/dbraw/zinc/08/38/08/182083808.db2.gz ZBMREZBVUYVIBL-SECBINFHSA-N 0 0 312.171 4.624 50 0 DJAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 ZINC000017198517 182079814 /nfs/dbraw/zinc/07/98/14/182079814.db2.gz XZKIYYAXFFFQGO-SFHVURJKSA-N 0 0 315.413 4.728 50 0 DJAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1 ZINC000017198509 182080089 /nfs/dbraw/zinc/08/00/89/182080089.db2.gz XAXCYYVRYRYJCZ-SFHVURJKSA-N 0 0 315.413 4.728 50 0 DJAARN O=C(NCCc1cccs1)c1cccc(Oc2ccccc2)c1 ZINC000017909529 182087491 /nfs/dbraw/zinc/08/74/91/182087491.db2.gz YWBZTTGUCGJGFJ-UHFFFAOYSA-N 0 0 323.417 4.513 50 0 DJAARN CCCOc1ccc(NCCOc2ccc(Cl)cc2C)cc1 ZINC000019738172 182141316 /nfs/dbraw/zinc/14/13/16/182141316.db2.gz DNSBPOJLCXLVNB-UHFFFAOYSA-N 0 0 319.832 4.928 50 0 DJAARN COc1ccc(NC[C@@H](C)Oc2cccc(C)c2)cc1Cl ZINC000019738094 182141364 /nfs/dbraw/zinc/14/13/64/182141364.db2.gz ZBEBPSDMMSGGRI-CYBMUJFWSA-N 0 0 305.805 4.536 50 0 DJAARN CC(=O)Nc1sc(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000019861519 182158376 /nfs/dbraw/zinc/15/83/76/182158376.db2.gz ORQGJSGYOGQSQI-UHFFFAOYSA-N 0 0 312.369 4.575 50 0 DJAARN CCc1cc2c(ncnc2Nc2cc(Cl)ccc2C)s1 ZINC000019954809 182170363 /nfs/dbraw/zinc/17/03/63/182170363.db2.gz SGUMTVHFMHEHHC-UHFFFAOYSA-N 0 0 303.818 4.959 50 0 DJAARN O=C(CSc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000020031305 182181396 /nfs/dbraw/zinc/18/13/96/182181396.db2.gz GIDPJQMOKXPFCB-UHFFFAOYSA-N 0 0 313.809 4.863 50 0 DJAARN CC(C)C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000020105685 182186524 /nfs/dbraw/zinc/18/65/24/182186524.db2.gz GOCNCSIPHXGHGP-QGZVFWFLSA-N 0 0 301.817 4.857 50 0 DJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2F)cc1C ZINC000020394575 182214409 /nfs/dbraw/zinc/21/44/09/182214409.db2.gz XASKPZSCYYFLTB-LBPRGKRZSA-N 0 0 320.795 4.979 50 0 DJAARN Cc1ccccc1NC(=O)c1cc2cccc3c2n1C[C@@H](C)S3 ZINC000020559800 182232606 /nfs/dbraw/zinc/23/26/06/182232606.db2.gz WGLUACXEIAWERJ-CYBMUJFWSA-N 0 0 322.433 4.696 50 0 DJAARN C[C@H](NCc1nc2ccccc2s1)c1ccccc1Cl ZINC000020567400 182233571 /nfs/dbraw/zinc/23/35/71/182233571.db2.gz RCRHJXCDQPWSDT-NSHDSACASA-N 0 0 302.830 4.801 50 0 DJAARN Cc1cc(C)cc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c1 ZINC000020575538 182234726 /nfs/dbraw/zinc/23/47/26/182234726.db2.gz BEZGJYYENQFSDH-UHFFFAOYSA-N 0 0 315.376 4.585 50 0 DJAARN COc1ccccc1-c1cc(C(F)F)c2c(n1)onc2C1CC1 ZINC000020605800 182237823 /nfs/dbraw/zinc/23/78/23/182237823.db2.gz NTEADPIBFAUGEY-UHFFFAOYSA-N 0 0 316.307 4.713 50 0 DJAARN CC(C)c1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000020896654 182252046 /nfs/dbraw/zinc/25/20/46/182252046.db2.gz MDRAHSKRFNGDEA-UHFFFAOYSA-N 0 0 313.378 4.746 50 0 DJAARN Cc1ccc(OC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1C ZINC000020896694 182252294 /nfs/dbraw/zinc/25/22/94/182252294.db2.gz XWDIVSMCAYRREA-UHFFFAOYSA-N 0 0 321.376 4.794 50 0 DJAARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccs3)sc2C1 ZINC000020897401 182252398 /nfs/dbraw/zinc/25/23/98/182252398.db2.gz FWHPDCOFHWSWRH-SNVBAGLBSA-N 0 0 320.483 4.608 50 0 DJAARN Cc1cccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c1C ZINC000020997031 182258160 /nfs/dbraw/zinc/25/81/60/182258160.db2.gz HOEWUWQZASYWEE-QGZVFWFLSA-N 0 0 324.449 4.785 50 0 DJAARN Cc1cccc(NC(=O)C[C@@H](c2cccs2)n2cccc2)c1C ZINC000020997029 182258383 /nfs/dbraw/zinc/25/83/83/182258383.db2.gz HOEWUWQZASYWEE-KRWDZBQOSA-N 0 0 324.449 4.785 50 0 DJAARN Cc1ccc(NC(=O)C[C@H](c2ccccc2C)n2cccc2)cc1 ZINC000020998795 182258626 /nfs/dbraw/zinc/25/86/26/182258626.db2.gz DSBPEJIKAFZDIU-HXUWFJFHSA-N 0 0 318.420 4.723 50 0 DJAARN CC1CCC(c2nnc(-c3ccc(Br)cc3)o2)CC1 ZINC000021366858 182273591 /nfs/dbraw/zinc/27/35/91/182273591.db2.gz OWRPPOIBFREGMR-UHFFFAOYSA-N 0 0 321.218 4.793 50 0 DJAARN COc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 ZINC000021115151 182266067 /nfs/dbraw/zinc/26/60/67/182266067.db2.gz YDIJUDPFJPLXIV-UHFFFAOYSA-N 0 0 318.781 4.783 50 0 DJAARN Cc1cccnc1N(Cc1cccs1)C(=O)Nc1ccccc1 ZINC000021149615 182266443 /nfs/dbraw/zinc/26/64/43/182266443.db2.gz NUGDXBUYERDUMG-UHFFFAOYSA-N 0 0 323.421 4.690 50 0 DJAARN Cc1ccc(CCC(=O)Nc2cccc3cnccc32)cc1Cl ZINC000021219826 182269584 /nfs/dbraw/zinc/26/95/84/182269584.db2.gz IWAMEBQKZRYEDM-UHFFFAOYSA-N 0 0 324.811 4.768 50 0 DJAARN CCOc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1 ZINC000021364357 182273149 /nfs/dbraw/zinc/27/31/49/182273149.db2.gz FHRKIIHGURWVMD-UHFFFAOYSA-N 0 0 311.410 4.656 50 0 DJAARN CCCc1cc([C@@H]2CCCN2Cc2ccc(Cl)cc2)no1 ZINC000021720664 182285743 /nfs/dbraw/zinc/28/57/43/182285743.db2.gz RULBCZOMVPYUCN-KRWDZBQOSA-N 0 0 304.821 4.618 50 0 DJAARN O=C(C[C@@H]1C=CCC1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000021531162 182279303 /nfs/dbraw/zinc/27/93/03/182279303.db2.gz CHLLSYBYBGGKHS-CQSZACIVSA-N 0 0 318.376 4.790 50 0 DJAARN CC[C@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000021641394 182282348 /nfs/dbraw/zinc/28/23/48/182282348.db2.gz RKSWUPRBDZGBOV-ZDUSSCGKSA-N 0 0 307.397 4.516 50 0 DJAARN CCc1cc2c(ncnc2Nc2cc(Cl)ccc2OC)s1 ZINC000021651601 182282669 /nfs/dbraw/zinc/28/26/69/182282669.db2.gz QPAXNZUUNVGFAQ-UHFFFAOYSA-N 0 0 319.817 4.659 50 0 DJAARN Cc1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1C ZINC000021658850 182282726 /nfs/dbraw/zinc/28/27/26/182282726.db2.gz CLUKWBHUHMMCIW-LBPRGKRZSA-N 0 0 300.789 4.973 50 0 DJAARN CCc1cc2c(ncnc2Nc2ccc(F)cc2Cl)s1 ZINC000021651604 182282784 /nfs/dbraw/zinc/28/27/84/182282784.db2.gz YMRGWPPEUCXDNE-UHFFFAOYSA-N 0 0 307.781 4.790 50 0 DJAARN CCc1cc2c(ncnc2NCc2cccc(Cl)c2)s1 ZINC000021651630 182282853 /nfs/dbraw/zinc/28/28/53/182282853.db2.gz JLBHLMCPPBBMRF-UHFFFAOYSA-N 0 0 303.818 4.519 50 0 DJAARN CC(C)c1ccc(C(=O)NCc2cccs2)c(C(C)C)c1 ZINC000021703602 182284117 /nfs/dbraw/zinc/28/41/17/182284117.db2.gz COYAVVABFNDSJI-UHFFFAOYSA-N 0 0 301.455 4.925 50 0 DJAARN CCCCNC(=O)c1cc(C)nc2c(-c3cccs3)cccc12 ZINC000021705100 182284198 /nfs/dbraw/zinc/28/41/98/182284198.db2.gz XZVXUOBNOFFTRK-UHFFFAOYSA-N 0 0 324.449 4.802 50 0 DJAARN C/C=C/c1ccc(OCc2coc(-c3ccccc3)n2)c(OC)c1 ZINC000021765128 182288107 /nfs/dbraw/zinc/28/81/07/182288107.db2.gz XEFHARZXSBJZHA-XVNBXDOJSA-N 0 0 321.376 4.962 50 0 DJAARN C(=C/c1ccccc1)\Cn1c2ccccc2nc1[C@@H]1CCCO1 ZINC000021782629 182288557 /nfs/dbraw/zinc/28/85/57/182288557.db2.gz JALFBCUFSOQDRD-IUYMFKLXSA-N 0 0 304.393 4.601 50 0 DJAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1cccc2ccccc21 ZINC000021836744 182294268 /nfs/dbraw/zinc/29/42/68/182294268.db2.gz QYDVHOIXPUXWNQ-HNNXBMFYSA-N 0 0 321.395 4.741 50 0 DJAARN CCc1cc(OCCCOc2ccc(OC)cc2)ccc1Cl ZINC000022238489 182315323 /nfs/dbraw/zinc/31/53/23/182315323.db2.gz RLOOOEGFZYLTOK-UHFFFAOYSA-N 0 0 320.816 4.759 50 0 DJAARN COc1ccccc1-c1csc(NCCc2cccs2)n1 ZINC000022310082 182317117 /nfs/dbraw/zinc/31/71/17/182317117.db2.gz GQDAYXSKBCUFFN-UHFFFAOYSA-N 0 0 316.451 4.535 50 0 DJAARN CCOc1ccc(-c2ccc(C(=O)NCCC(C)C)s2)cc1 ZINC000022336791 182319040 /nfs/dbraw/zinc/31/90/40/182319040.db2.gz UNRSRXNVKYVYGJ-UHFFFAOYSA-N 0 0 317.454 4.590 50 0 DJAARN CCc1ccccc1NC(=O)c1csc(Nc2ccccc2)n1 ZINC000023136831 182350913 /nfs/dbraw/zinc/35/09/13/182350913.db2.gz PUWZJWYFFBHPKR-UHFFFAOYSA-N 0 0 323.421 4.701 50 0 DJAARN CCCCCNc1cc(CCC)nc2c(-c3ccccc3)cnn21 ZINC000023114900 182348180 /nfs/dbraw/zinc/34/81/80/182348180.db2.gz BULHQJHHVGIMAP-UHFFFAOYSA-N 0 0 322.456 4.951 50 0 DJAARN O=C(Nc1cnc2ccccc2c1)c1ccc(C(F)(F)F)cc1 ZINC000023353068 182357261 /nfs/dbraw/zinc/35/72/61/182357261.db2.gz CXJUXTZYZHFVLX-UHFFFAOYSA-N 0 0 316.282 4.506 50 0 DJAARN O=C(C[C@H]1C=CCC1)NCCC(c1ccccc1)c1ccccc1 ZINC000023324980 182357268 /nfs/dbraw/zinc/35/72/68/182357268.db2.gz SBTBUBWBIKGJHH-SFHVURJKSA-N 0 0 319.448 4.681 50 0 DJAARN Cc1ccc(NC(=O)CSC/C=C\c2ccccc2)cc1C ZINC000097992330 193772479 /nfs/dbraw/zinc/77/24/79/193772479.db2.gz SHGHLIUZKCBYEF-TWGQIWQCSA-N 0 0 311.450 4.689 50 0 DJAARN CCC(=O)c1ccc(Oc2ncnc3cc(Cl)ccc32)cc1 ZINC000024339934 182378936 /nfs/dbraw/zinc/37/89/36/182378936.db2.gz FBECGNWOEBZRPJ-UHFFFAOYSA-N 0 0 312.756 4.668 50 0 DJAARN CCc1cccc(C)c1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000024574386 182383834 /nfs/dbraw/zinc/38/38/34/182383834.db2.gz WZPYWCNGGBRFGY-UHFFFAOYSA-N 0 0 318.420 4.529 50 0 DJAARN Cc1cc(C(=O)N(C)c2ccccc2)c(C)n1C1CCCCC1 ZINC000024713724 182388487 /nfs/dbraw/zinc/38/84/87/182388487.db2.gz IZIFPLSVFCQYNK-UHFFFAOYSA-N 0 0 310.441 4.887 50 0 DJAARN Cc1sc(-n2cccc2)c(C(=O)Nc2cccc(F)c2)c1C ZINC000025153140 182402898 /nfs/dbraw/zinc/40/28/98/182402898.db2.gz FCFDAMGRCYBILT-UHFFFAOYSA-N 0 0 314.385 4.547 50 0 DJAARN O=C(Nc1cccc2ccccc21)[C@H]1CCCc2ccccc21 ZINC000024832020 182392620 /nfs/dbraw/zinc/39/26/20/182392620.db2.gz VMNKRDJLXBMNCP-IBGZPJMESA-N 0 0 301.389 4.898 50 0 DJAARN CCOc1ccc(-c2ccc(Br)cc2)c(F)c1F ZINC000098087488 193784207 /nfs/dbraw/zinc/78/42/07/193784207.db2.gz VFNYZNWPLITFPE-UHFFFAOYSA-N 0 0 313.141 4.793 50 0 DJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000027580998 182480635 /nfs/dbraw/zinc/48/06/35/182480635.db2.gz QCLYKQZLGVTFET-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN CC1(C)Cc2ccccc2/C(=C/c2ccc3ccccc3n2)N1 ZINC000100074260 193794836 /nfs/dbraw/zinc/79/48/36/193794836.db2.gz QZROXBDCBHHFLR-MOSHPQCFSA-N 0 0 300.405 4.657 50 0 DJAARN Cc1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000030116354 182584147 /nfs/dbraw/zinc/58/41/47/182584147.db2.gz DFHJTSRYTNNAAM-CYBMUJFWSA-N 0 0 321.342 4.813 50 0 DJAARN CC1=CC[C@@H]2C(=O)N(c3ccc(C4CCCCC4)cc3)C(=O)[C@H]2C1 ZINC000100299029 193797993 /nfs/dbraw/zinc/79/79/93/193797993.db2.gz SSJUDASJYCOCGB-OALUTQOASA-N 0 0 323.436 4.580 50 0 DJAARN COc1cccc(S[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000031817600 182624950 /nfs/dbraw/zinc/62/49/50/182624950.db2.gz BQGYFCOEPPUDLU-SNVBAGLBSA-N 0 0 318.423 4.660 50 0 DJAARN Cc1cc(C)c2nc(C)cc(C(=O)NCCC3=CCCCC3)c2c1 ZINC000033252870 182697909 /nfs/dbraw/zinc/69/79/09/182697909.db2.gz BPXRZRBFBNCZAD-UHFFFAOYSA-N 0 0 322.452 4.780 50 0 DJAARN CC(C)CC(=O)Nc1cccc(-c2ccc3ccccc3n2)c1 ZINC000033113786 182693269 /nfs/dbraw/zinc/69/32/69/182693269.db2.gz JOOBYWGYMNWREB-UHFFFAOYSA-N 0 0 304.393 4.886 50 0 DJAARN CCSc1nc2ccccc2n1C(=O)/C=C\c1cccs1 ZINC000033373204 182707631 /nfs/dbraw/zinc/70/76/31/182707631.db2.gz WVOIGNQBGYLJFA-KTKRTIGZSA-N 0 0 314.435 4.563 50 0 DJAARN C[C@H](NC(=O)/C=C\c1cccc2ccccc12)c1ccccc1 ZINC000033420628 182710107 /nfs/dbraw/zinc/71/01/07/182710107.db2.gz KWVZOPAHGHIWLE-FCFCDCELSA-N 0 0 301.389 4.730 50 0 DJAARN Cc1ccc([C@H]2CCCCCN2C(=O)NCc2ccccc2)cc1 ZINC000035561704 182779942 /nfs/dbraw/zinc/77/99/42/182779942.db2.gz DJNDMDINCOQGRE-HXUWFJFHSA-N 0 0 322.452 4.822 50 0 DJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000036620971 182829952 /nfs/dbraw/zinc/82/99/52/182829952.db2.gz DRWOKGKOBQBHPN-IBGZPJMESA-N 0 0 308.425 4.981 50 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DJAARN Cc1ccc(-c2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000000174469 134430495 /nfs/dbraw/zinc/43/04/95/134430495.db2.gz RBBBERMMZAMXHQ-UHFFFAOYSA-N 0 0 303.409 4.596 50 0 DJAARN C[C@@H]1C[C@@H](C)CN(c2ncnc3scc(-c4ccccc4)c32)C1 ZINC000000223265 134432722 /nfs/dbraw/zinc/43/27/22/134432722.db2.gz YUBHSEKYUPAOCY-ZIAGYGMSSA-N 0 0 323.465 4.841 50 0 DJAARN COc1ccc(CCCC(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000000454099 332853294 /nfs/dbraw/zinc/85/32/94/332853294.db2.gz MTMNPXRANNDQEN-UHFFFAOYSA-N 0 0 317.816 4.618 50 0 DJAARN O=C(Nc1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000000452465 331462548 /nfs/dbraw/zinc/46/25/48/331462548.db2.gz SJIMEIMKFALWJW-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000001001779 331465047 /nfs/dbraw/zinc/46/50/47/331465047.db2.gz CRUHNZZPBJWBFD-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN CC(C)(C)c1ccccc1NC(=S)Nc1cccc(F)c1 ZINC000006324260 331495657 /nfs/dbraw/zinc/49/56/57/331495657.db2.gz KAGFYWPTFRXOBT-UHFFFAOYSA-N 0 0 302.418 4.932 50 0 DJAARN Cc1ccc(NCc2nc(-c3ccccc3C)no2)c(Cl)c1 ZINC000023003969 333398577 /nfs/dbraw/zinc/39/85/77/333398577.db2.gz WLKLOMQUIKUYMS-UHFFFAOYSA-N 0 0 313.788 4.619 50 0 DJAARN COC(=O)c1cc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1 ZINC000328579050 533714347 /nfs/dbraw/zinc/71/43/47/533714347.db2.gz LOBPFIYNCPFAFH-UHFFFAOYSA-N 0 0 323.779 4.856 50 0 DJAARN Cc1noc(C)c1CNc1ccccc1N(C)c1ccccc1 ZINC000042110877 337361608 /nfs/dbraw/zinc/36/16/08/337361608.db2.gz DEKDUDTZDHDXQG-UHFFFAOYSA-N 0 0 307.397 4.671 50 0 DJAARN CC(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1 ZINC000000449312 517369397 /nfs/dbraw/zinc/36/93/97/517369397.db2.gz NCHUSANJCATJCZ-UHFFFAOYSA-N 0 0 318.328 4.717 50 0 biogenic DJAARN Cc1cc(Cl)ccc1Nc1ncnc2cc(Cl)ccc21 ZINC000001387070 563815088 /nfs/dbraw/zinc/81/50/88/563815088.db2.gz FKXOSMOPNSRSSV-UHFFFAOYSA-N 0 0 304.180 4.989 50 0 DJAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1=CCCCCC1 ZINC000170599078 563907241 /nfs/dbraw/zinc/90/72/41/563907241.db2.gz AAFWALIRIAAOLF-AWEZNQCLSA-N 0 0 320.502 4.985 50 0 DJAARN CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000013745078 563909838 /nfs/dbraw/zinc/90/98/38/563909838.db2.gz CWHROLUOEFFMCI-SNVBAGLBSA-N 0 0 324.833 4.683 50 0 DJAARN Cc1csc(SCCCC(=O)Nc2c(C)cccc2C)n1 ZINC000002626757 563939793 /nfs/dbraw/zinc/93/97/93/563939793.db2.gz FTCZSQQXSNJUHV-UHFFFAOYSA-N 0 0 320.483 4.579 50 0 DJAARN Cc1ccc(C)c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000000042849 563211627 /nfs/dbraw/zinc/21/16/27/563211627.db2.gz UGJQTLCKTCHRMH-SMDDNHRTSA-N 0 0 312.240 4.833 50 0 DJAARN Cc1cc(C)c(NC(=O)/C=C/c2ccc(F)cc2)c(Cl)c1 ZINC000000131330 563221544 /nfs/dbraw/zinc/22/15/44/563221544.db2.gz BTCJETJXWOVHIS-VMPITWQZSA-N 0 0 303.764 4.748 50 0 DJAARN O=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCCCC1 ZINC000000171674 563227569 /nfs/dbraw/zinc/22/75/69/563227569.db2.gz NGEIORFKAWRGGP-UHFFFAOYSA-N 0 0 305.830 4.695 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000000310682 563239807 /nfs/dbraw/zinc/23/98/07/563239807.db2.gz BTTBPWRANVTPFD-UHFFFAOYSA-N 0 0 303.789 4.688 50 0 DJAARN Cc1ccc(NC(=O)CSCc2ccccc2Cl)cc1C ZINC000000443831 563254967 /nfs/dbraw/zinc/25/49/67/563254967.db2.gz IBSCREHVEWYWJW-UHFFFAOYSA-N 0 0 319.857 4.829 50 0 DJAARN COc1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000002741975 563311955 /nfs/dbraw/zinc/31/19/55/563311955.db2.gz TXJPFIVEVDXRTK-UHFFFAOYSA-N 0 0 324.207 4.573 50 0 DJAARN COc1ccccc1OCCCOc1ccc(Cl)c(C)c1 ZINC000002904437 563317687 /nfs/dbraw/zinc/31/76/87/563317687.db2.gz SYBFRFHRNWCUBQ-UHFFFAOYSA-N 0 0 306.789 4.505 50 0 DJAARN O=C(NC1CCCCC1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000035476465 563452737 /nfs/dbraw/zinc/45/27/37/563452737.db2.gz AZIXGNHMJGYNLI-INIZCTEOSA-N 0 0 306.837 4.519 50 0 DJAARN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000000040854 563211460 /nfs/dbraw/zinc/21/14/60/563211460.db2.gz RBZVZZUGJGEEON-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN CC(=O)N1c2ccccc2-c2c(=S)ssc2C1(C)C ZINC000000041327 563211592 /nfs/dbraw/zinc/21/15/92/563211592.db2.gz IQNXDYPOLYMBBT-UHFFFAOYSA-N 0 0 307.465 4.808 50 0 DJAARN S=c1[nH]c2ccccc2n1Cc1ccc(Br)cc1 ZINC000000045454 563211633 /nfs/dbraw/zinc/21/16/33/563211633.db2.gz PGAZFMJFRGCEKT-UHFFFAOYSA-N 0 0 319.227 4.510 50 0 DJAARN O=P(Nc1ccccc1)(Nc1ccccc1)c1ccccc1 ZINC000000044351 563211745 /nfs/dbraw/zinc/21/17/45/563211745.db2.gz QXKWWWLBIJJKTJ-UHFFFAOYSA-N 0 0 308.321 4.729 50 0 DJAARN O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1c(Cl)cccc1Cl ZINC000000060342 563212184 /nfs/dbraw/zinc/21/21/84/563212184.db2.gz MIRORQFYACSDKN-HNNXBMFYSA-N 0 0 322.147 4.745 50 0 DJAARN Cc1ccccc1-c1cc(=O)c2cc(Br)ccc2o1 ZINC000000057789 563212187 /nfs/dbraw/zinc/21/21/87/563212187.db2.gz OPNDGMXTQUWZJW-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 biogenic,in-vitro DJAARN CCOc1ccc2oc(=O)c(-c3cccc(Cl)c3)c(C)c2c1 ZINC000000058101 563212229 /nfs/dbraw/zinc/21/22/29/563212229.db2.gz IPRTUYRUMBORDJ-UHFFFAOYSA-N 0 0 314.768 4.821 50 0 DJAARN c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000000074768 563213586 /nfs/dbraw/zinc/21/35/86/563213586.db2.gz HBQUOLGAXBYZGR-UHFFFAOYSA-N 0 0 309.372 4.873 50 0 DJAARN COc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000000078477 563213975 /nfs/dbraw/zinc/21/39/75/563213975.db2.gz XJWZRFFAILHXFM-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000000076357 563213987 /nfs/dbraw/zinc/21/39/87/563213987.db2.gz SITVEWIJYCILLD-UHFFFAOYSA-N 0 0 311.768 4.650 50 0 DJAARN CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000000094253 563215833 /nfs/dbraw/zinc/21/58/33/563215833.db2.gz LQIKMZRBUIIRTO-OAHLLOKOSA-N 0 0 307.315 4.838 50 0 DJAARN Cc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000093928 563215849 /nfs/dbraw/zinc/21/58/49/563215849.db2.gz IBMFPFHYTDHXBV-UHFFFAOYSA-N 0 0 310.344 4.823 50 0 DJAARN CCc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 ZINC000000094844 563216359 /nfs/dbraw/zinc/21/63/59/563216359.db2.gz JKHQXQZMVMYITF-UHFFFAOYSA-N 0 0 324.207 4.817 50 0 DJAARN CCc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1OC ZINC000000094839 563216522 /nfs/dbraw/zinc/21/65/22/563216522.db2.gz SSJWIBLSCBDNHT-UHFFFAOYSA-N 0 0 324.207 4.817 50 0 DJAARN Cc1cccc(-c2noc(-c3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000000114160 563219093 /nfs/dbraw/zinc/21/90/93/563219093.db2.gz MZMBZEFISLGZEV-UHFFFAOYSA-N 0 0 320.270 4.611 50 0 DJAARN COCn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 ZINC000000118497 563219785 /nfs/dbraw/zinc/21/97/85/563219785.db2.gz ZCXVVBZVADLOBH-UHFFFAOYSA-N 0 0 324.424 4.651 50 0 DJAARN CCn1c(CSc2nc3cc(C)ccc3[nH]2)nc2ccccc21 ZINC000000120253 563219862 /nfs/dbraw/zinc/21/98/62/563219862.db2.gz XWICSIACWPJTNG-UHFFFAOYSA-N 0 0 322.437 4.533 50 0 DJAARN Cc1cc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c(C)c1 ZINC000000121208 563220588 /nfs/dbraw/zinc/22/05/88/563220588.db2.gz QWEHJUBCLLIFNZ-UHFFFAOYSA-N 0 0 317.816 4.591 50 0 DJAARN O=C1C[C@@H](c2ccc(Cl)cc2)c2ccc3ccccc3c2N1 ZINC000000123952 563220617 /nfs/dbraw/zinc/22/06/17/563220617.db2.gz CCGCSRGGLHBPJP-KRWDZBQOSA-N 0 0 307.780 4.967 50 0 DJAARN Cc1cc2[nH]c(C(=O)N(C)c3ccc(Cl)cc3)cc2c(C)c1 ZINC000000130601 563221619 /nfs/dbraw/zinc/22/16/19/563221619.db2.gz YSEUOMYQJXHJOJ-UHFFFAOYSA-N 0 0 312.800 4.715 50 0 DJAARN CC(C)(C)C(=O)CSc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000000130460 563221797 /nfs/dbraw/zinc/22/17/97/563221797.db2.gz ANKBLSIWVGNORK-UHFFFAOYSA-N 0 0 317.241 4.577 50 0 DJAARN Cc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c(C)c1 ZINC000000133591 563222333 /nfs/dbraw/zinc/22/23/33/563222333.db2.gz IKGKISGKHPFQPY-UHFFFAOYSA-N 0 0 311.425 4.618 50 0 DJAARN CC(C)CN(CC(C)C)C(=O)Nc1ccccc1C(F)(F)F ZINC000000136809 563222977 /nfs/dbraw/zinc/22/29/77/563222977.db2.gz JFPINGXYWRSDCR-UHFFFAOYSA-N 0 0 316.367 4.851 50 0 DJAARN Cc1cn(C(=O)Nc2ccc(Cl)cc2)nc1-c1cccs1 ZINC000000141283 563223421 /nfs/dbraw/zinc/22/34/21/563223421.db2.gz ULJKPTZECLKXRA-UHFFFAOYSA-N 0 0 317.801 4.654 50 0 DJAARN Cc1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000000146030 563223913 /nfs/dbraw/zinc/22/39/13/563223913.db2.gz RGRVUKSVBKUQSD-MDZDMXLPSA-N 0 0 306.192 4.954 50 0 DJAARN Cc1cc(O[C@H](C)C(=O)Nc2cccc(F)c2)cc(C)c1Cl ZINC000000150821 563225310 /nfs/dbraw/zinc/22/53/10/563225310.db2.gz NEEGLTKJALMLJM-GFCCVEGCSA-N 0 0 321.779 4.502 50 0 DJAARN C[C@@H]1CCc2c(sc3ncnc(Sc4ccccc4)c23)C1 ZINC000000154712 563225318 /nfs/dbraw/zinc/22/53/18/563225318.db2.gz JIJLSRRCZFOXKO-LLVKDONJSA-N 0 0 312.463 4.967 50 0 DJAARN FC(F)(F)c1cc(Cl)c2cccc(Br)c2n1 ZINC000000161362 563225606 /nfs/dbraw/zinc/22/56/06/563225606.db2.gz KKGSBQKOZKBRKL-UHFFFAOYSA-N 0 0 310.500 4.670 50 0 DJAARN Clc1ccc2c(c1)nccc2N1CCC(n2cccc2)CC1 ZINC000000170937 563226897 /nfs/dbraw/zinc/22/68/97/563226897.db2.gz PMZXCXXAIYTPBO-UHFFFAOYSA-N 0 0 311.816 4.531 50 0 DJAARN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccccc2)C1(C)C ZINC000000172725 563227299 /nfs/dbraw/zinc/22/72/99/563227299.db2.gz BCSAWRQMUAATCE-RBUKOAKNSA-N 0 0 309.409 4.792 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000000176200 563228103 /nfs/dbraw/zinc/22/81/03/563228103.db2.gz NYULGVHTGCWKRB-UHFFFAOYSA-N 0 0 320.392 4.773 50 0 DJAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000000179921 563228715 /nfs/dbraw/zinc/22/87/15/563228715.db2.gz SAKLKDHGQMHMMW-OAHLLOKOSA-N 0 0 324.232 4.772 50 0 DJAARN CCCc1ccc(Oc2coc3c(C)c(OC)ccc3c2=O)cc1 ZINC000000189826 563229179 /nfs/dbraw/zinc/22/91/79/563229179.db2.gz IMYHWJBUIVJCBK-UHFFFAOYSA-N 0 0 324.376 4.855 50 0 DJAARN CC(C)C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C ZINC000000200140 563229809 /nfs/dbraw/zinc/22/98/09/563229809.db2.gz CTMUWCLHAWDBIR-QAPCUYQASA-N 0 0 308.425 4.621 50 0 DJAARN Cc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000000204324 563230361 /nfs/dbraw/zinc/23/03/61/563230361.db2.gz ADVIQLCOJZXRKE-UHFFFAOYSA-N 0 0 315.372 4.871 50 0 DJAARN c1ccc2sc(-c3ccc(NCc4cccnc4)cc3)nc2c1 ZINC000000211084 563230940 /nfs/dbraw/zinc/23/09/40/563230940.db2.gz AQKFAVHFWOYFMZ-UHFFFAOYSA-N 0 0 317.417 4.970 50 0 DJAARN FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1 ZINC000000213170 563231087 /nfs/dbraw/zinc/23/10/87/563231087.db2.gz SQCXHDAKPCTOGY-UHFFFAOYSA-N 0 0 321.346 4.543 50 0 DJAARN CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000259102 563233972 /nfs/dbraw/zinc/23/39/72/563233972.db2.gz PFESTYHWXQDHSW-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN Cc1ccc2c(=O)cc(-c3cccc(Br)c3)oc2c1 ZINC000000265294 563234634 /nfs/dbraw/zinc/23/46/34/563234634.db2.gz LEETUABYFCQTJB-UHFFFAOYSA-N 0 0 315.166 4.531 50 0 DJAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCCCC1 ZINC000000267566 563234796 /nfs/dbraw/zinc/23/47/96/563234796.db2.gz NCTXAIABXQTIBJ-UHFFFAOYSA-N 0 0 319.408 4.749 50 0 DJAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1C[C@H]1c1ccccc1 ZINC000000292006 563236592 /nfs/dbraw/zinc/23/65/92/563236592.db2.gz XBVQCSZKACBCCG-NWDGAFQWSA-N 0 0 306.192 4.736 50 0 DJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1Cl ZINC000000303558 563237811 /nfs/dbraw/zinc/23/78/11/563237811.db2.gz ZWRAWOHHRUBBHJ-UHFFFAOYSA-N 0 0 312.756 4.556 50 0 DJAARN Cc1c(O[C@H](C)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000000304948 563238472 /nfs/dbraw/zinc/23/84/72/563238472.db2.gz FLOLAUOWUQEXKY-CQSZACIVSA-N 0 0 320.388 4.730 50 0 DJAARN COc1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2C ZINC000000305231 563238553 /nfs/dbraw/zinc/23/85/53/563238553.db2.gz YRRRNRJVKKLPGC-UHFFFAOYSA-N 0 0 318.829 4.528 50 0 DJAARN O=C(CCC1CCCCC1)Nc1cccc(Br)c1 ZINC000000311647 563239636 /nfs/dbraw/zinc/23/96/36/563239636.db2.gz HIXKOBNZLQRVCC-UHFFFAOYSA-N 0 0 310.235 4.748 50 0 DJAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000000311553 563239722 /nfs/dbraw/zinc/23/97/22/563239722.db2.gz ARZVSFDKWAYQAW-JTQLQIEISA-N 0 0 322.202 4.808 50 0 DJAARN O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(F)cc1 ZINC000000313394 563239758 /nfs/dbraw/zinc/23/97/58/563239758.db2.gz LHQQJZQFEXNWHF-IBGZPJMESA-N 0 0 318.351 4.597 50 0 DJAARN O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc(F)cc1 ZINC000000313397 563239804 /nfs/dbraw/zinc/23/98/04/563239804.db2.gz LHQQJZQFEXNWHF-LJQANCHMSA-N 0 0 318.351 4.597 50 0 DJAARN S=C(CC1CCCCCCCCCCC1)N1CCOCC1 ZINC000000315006 563240230 /nfs/dbraw/zinc/24/02/30/563240230.db2.gz UYHIZDYPANJYHH-UHFFFAOYSA-N 0 0 311.535 4.957 50 0 DJAARN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1Cl ZINC000000317003 563240939 /nfs/dbraw/zinc/24/09/39/563240939.db2.gz PIZQNVFVOSXVIX-UHFFFAOYSA-N 0 0 310.180 4.644 50 0 DJAARN O=Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000000336020 563241411 /nfs/dbraw/zinc/24/14/11/563241411.db2.gz KOLMFQSIWCNEIG-UHFFFAOYSA-N 0 0 304.176 4.809 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000000331287 563241414 /nfs/dbraw/zinc/24/14/14/563241414.db2.gz RKSLDMWBVPPUMS-ZDUSSCGKSA-N 0 0 319.857 4.909 50 0 DJAARN O=S(=O)(C=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000000339650 563241949 /nfs/dbraw/zinc/24/19/49/563241949.db2.gz JGHGEBHNSZDBKF-UHFFFAOYSA-N 0 0 320.413 4.550 50 0 DJAARN COc1cc2ccccc2cc1C(=O)Oc1ccc(C)c(C)c1 ZINC000000341283 563242076 /nfs/dbraw/zinc/24/20/76/563242076.db2.gz ULJIBSJVHUMYLK-UHFFFAOYSA-N 0 0 306.361 4.684 50 0 DJAARN Clc1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1 ZINC000000341636 563242163 /nfs/dbraw/zinc/24/21/63/563242163.db2.gz XGRYRQKWYWPFFL-UHFFFAOYSA-N 0 0 323.827 4.941 50 0 DJAARN CCCN(CCC)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000000351919 563243155 /nfs/dbraw/zinc/24/31/55/563243155.db2.gz BAWVSQFSUFJLEH-UHFFFAOYSA-N 0 0 309.409 4.777 50 0 DJAARN c1ccc2[nH]c(-c3ccccc3-c3nc4ccccc4[nH]3)nc2c1 ZINC000000349171 563243240 /nfs/dbraw/zinc/24/32/40/563243240.db2.gz NQVCKXMOMGRVES-UHFFFAOYSA-N 0 0 310.360 4.773 50 0 DJAARN Cc1cc2c(cc1C)[C@@H](c1ccccc1OC(C)C)CC(=O)N2 ZINC000000356374 563243685 /nfs/dbraw/zinc/24/36/85/563243685.db2.gz ZGEAMHLCJOKIGE-MRXNPFEDSA-N 0 0 309.409 4.565 50 0 DJAARN O=c1oc2ccccc2cc1-c1csc(Nc2ccccc2)n1 ZINC000000354093 563243700 /nfs/dbraw/zinc/24/37/00/563243700.db2.gz CBDWBPQGLFDFOG-UHFFFAOYSA-N 0 0 320.373 4.660 50 0 DJAARN O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(Cl)c1 ZINC000000362768 563244801 /nfs/dbraw/zinc/24/48/01/563244801.db2.gz FTCRLBXJOFJNHM-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN CC[C@@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000000362483 563244939 /nfs/dbraw/zinc/24/49/39/563244939.db2.gz WTJYDDXKPMRGRW-OAHLLOKOSA-N 0 0 318.214 4.581 50 0 DJAARN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000000364261 563245213 /nfs/dbraw/zinc/24/52/13/563245213.db2.gz WEDUEOVUAKVZFD-UHFFFAOYSA-N 0 0 316.832 4.747 50 0 DJAARN 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in-vitro DJAARN C[C@](O)(c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000001668777 563289926 /nfs/dbraw/zinc/28/99/26/563289926.db2.gz IOJUSEUQECGGDK-PMACEKPBSA-N 0 0 323.823 4.775 50 0 DJAARN CCCCCCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000001750928 563295348 /nfs/dbraw/zinc/29/53/48/563295348.db2.gz VWKMTNQIKVHJEX-UHFFFAOYSA-N 0 0 320.433 4.782 50 0 DJAARN Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000001910427 563297123 /nfs/dbraw/zinc/29/71/23/563297123.db2.gz WMPZIZYLUNXUNI-UHFFFAOYSA-N 0 0 317.816 4.755 50 0 DJAARN c1ccc(OCCCSc2nc3ccccc3s2)cc1 ZINC000001926960 563297372 /nfs/dbraw/zinc/29/73/72/563297372.db2.gz XDFFZLINXYRGAJ-UHFFFAOYSA-N 0 0 301.436 4.858 50 0 DJAARN COc1cccc(C=C2c3ccccc3C(=O)c3ccccc32)c1 ZINC000002162198 563301011 /nfs/dbraw/zinc/30/10/11/563301011.db2.gz GFYOKGROISQFGG-UHFFFAOYSA-N 0 0 312.368 4.829 50 0 DJAARN COc1cccc(CCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000002516532 563306606 /nfs/dbraw/zinc/30/66/06/563306606.db2.gz FXUHQMZAEQZWHO-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN COc1cccc(CCC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000002516533 563306870 /nfs/dbraw/zinc/30/68/70/563306870.db2.gz XVCACAPPIAYMCB-UHFFFAOYSA-N 0 0 309.192 4.818 50 0 DJAARN CCCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 ZINC000002518091 563307289 /nfs/dbraw/zinc/30/72/89/563307289.db2.gz GPPLJGGOIPXIIG-UHFFFAOYSA-N 0 0 318.457 4.781 50 0 DJAARN O=C(CCc1cc(F)c(F)c(F)c1)c1cc(F)cc(Cl)c1 ZINC000002517871 563307327 /nfs/dbraw/zinc/30/73/27/563307327.db2.gz FWFAIDNCYQPOLM-UHFFFAOYSA-N 0 0 316.681 4.712 50 0 DJAARN O=C(Oc1ccccc1-c1nc2ccccc2o1)c1ccccc1 ZINC000002526568 563307971 /nfs/dbraw/zinc/30/79/71/563307971.db2.gz NKGIJKYDWQKJTC-UHFFFAOYSA-N 0 0 315.328 4.714 50 0 DJAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1ccccc1F ZINC000002666662 563310868 /nfs/dbraw/zinc/31/08/68/563310868.db2.gz WKUWJVJEBQXYKI-UHFFFAOYSA-N 0 0 319.335 4.906 50 0 DJAARN O=C(Nc1ccccc1)NC1c2ccccc2Oc2ccccc21 ZINC000002846018 563314976 /nfs/dbraw/zinc/31/49/76/563314976.db2.gz DSZFIYWEKUJKST-UHFFFAOYSA-N 0 0 316.360 4.703 50 0 DJAARN CCc1ccc(Cc2cnc(NC(=O)c3ccccc3)s2)cc1 ZINC000002877287 563316336 /nfs/dbraw/zinc/31/63/36/563316336.db2.gz QUSCULVWXBRNHM-UHFFFAOYSA-N 0 0 322.433 4.549 50 0 DJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Oc1cccc(C)c1 ZINC000002884224 563316849 /nfs/dbraw/zinc/31/68/49/563316849.db2.gz GBIYNXKVEUKKSB-UHFFFAOYSA-N 0 0 300.741 4.922 50 0 DJAARN COc1ccc(NC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000002884664 563317019 /nfs/dbraw/zinc/31/70/19/563317019.db2.gz FOPABLIDSWNLHE-UHFFFAOYSA-N 0 0 322.364 4.501 50 0 DJAARN COc1ccccc1OCCCOc1ccc(C(C)C)cc1 ZINC000002904310 563317695 /nfs/dbraw/zinc/31/76/95/563317695.db2.gz KBJCFFSWZIJYHG-UHFFFAOYSA-N 0 0 300.398 4.667 50 0 DJAARN CCc1ccc(OCCCCOc2ccc(C)cc2OC)cc1 ZINC000002985128 563319474 /nfs/dbraw/zinc/31/94/74/563319474.db2.gz JOMLBXAKDCOTQQ-UHFFFAOYSA-N 0 0 314.425 4.804 50 0 DJAARN CCOc1ccccc1OCCCCOc1ccc(C)cc1 ZINC000002991271 563319965 /nfs/dbraw/zinc/31/99/65/563319965.db2.gz KNGPQYFJGBASHV-UHFFFAOYSA-N 0 0 300.398 4.632 50 0 DJAARN Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000003165048 563322888 /nfs/dbraw/zinc/32/28/88/563322888.db2.gz KUYGNKQWHDEUJK-UHFFFAOYSA-N 0 0 324.207 4.628 50 0 DJAARN COc1ccc2ccccc2c1[C@H]1NN=C(c2ccccc2)S1 ZINC000003148456 563323288 /nfs/dbraw/zinc/32/32/88/563323288.db2.gz WWEQVVQMLAOYSZ-IBGZPJMESA-N 0 0 320.417 4.545 50 0 DJAARN Cc1ccc(OCc2noc(-c3ccc4ccccc4c3)n2)cc1 ZINC000034907010 563324654 /nfs/dbraw/zinc/32/46/54/563324654.db2.gz YUCVQVITZGAVQO-UHFFFAOYSA-N 0 0 316.360 4.777 50 0 DJAARN CCCOc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 ZINC000004151542 563326279 /nfs/dbraw/zinc/32/62/79/563326279.db2.gz YNOGRADPOGWIOU-UXBLZVDNSA-N 0 0 305.377 4.900 50 0 DJAARN CCSc1ccc(C(=O)c2cccc(Br)c2)cc1 ZINC000004241708 563327003 /nfs/dbraw/zinc/32/70/03/563327003.db2.gz VTDWMJVTLSWLCW-UHFFFAOYSA-N 0 0 321.239 4.792 50 0 DJAARN CC(C)(C)c1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000004241309 563327152 /nfs/dbraw/zinc/32/71/52/563327152.db2.gz YBWSLOFBLDMJLV-UHFFFAOYSA-N 0 0 317.226 4.978 50 0 DJAARN O=C(NCc1ccco1)c1ccccc1SCc1ccccc1 ZINC000004843330 563328067 /nfs/dbraw/zinc/32/80/67/563328067.db2.gz VRFRHUROPWBISG-UHFFFAOYSA-N 0 0 323.417 4.502 50 0 DJAARN Cc1nnc([C@@H](C)Nc2ccc(OC3CCCC3)c(Cl)c2)o1 ZINC000071902579 563331076 /nfs/dbraw/zinc/33/10/76/563331076.db2.gz OSXZNZWUZFDTRM-SNVBAGLBSA-N 0 0 321.808 4.526 50 0 DJAARN CC1(C)Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2O1 ZINC000002534743 563334529 /nfs/dbraw/zinc/33/45/29/563334529.db2.gz OYFAQWJTSYQJEB-UHFFFAOYSA-N 0 0 309.287 4.606 50 0 DJAARN Cc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000002679682 563337972 /nfs/dbraw/zinc/33/79/72/563337972.db2.gz IGJMBHZYWBZLQB-AQTBWJFISA-N 0 0 319.404 4.637 50 0 DJAARN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2F)cc(C)c1Cl ZINC000002761447 563340678 /nfs/dbraw/zinc/34/06/78/563340678.db2.gz IQNCGZBIWAOPCF-GFCCVEGCSA-N 0 0 321.779 4.502 50 0 DJAARN CCn1nc(C)c2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000002732507 563340870 /nfs/dbraw/zinc/34/08/70/563340870.db2.gz DWSGXCGXHDTIOI-UHFFFAOYSA-N 0 0 323.293 4.585 50 0 DJAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002785563 563341888 /nfs/dbraw/zinc/34/18/88/563341888.db2.gz MRMVJAIBJAZGLY-VXGBXAGGSA-N 0 0 315.726 4.505 50 0 DJAARN Cc1ccsc1C(=O)Nc1nc2cc(C)c(C)cc2s1 ZINC000002755126 563341960 /nfs/dbraw/zinc/34/19/60/563341960.db2.gz LQJATVHIOUOEHX-UHFFFAOYSA-N 0 0 302.424 4.535 50 0 DJAARN CC(C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000003065072 563347061 /nfs/dbraw/zinc/34/70/61/563347061.db2.gz KLNRFEANOBVSAV-DNVCBOLYSA-N 0 0 308.425 4.621 50 0 DJAARN CCCC(CCC)C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000008714250 563349460 /nfs/dbraw/zinc/34/94/60/563349460.db2.gz RQSKAXMZVQEINH-UHFFFAOYSA-N 0 0 313.825 4.512 50 0 DJAARN CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000008723135 563350005 /nfs/dbraw/zinc/35/00/05/563350005.db2.gz OCROWLNECFXXGS-CYBMUJFWSA-N 0 0 317.816 4.617 50 0 DJAARN S=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000008829003 563350706 /nfs/dbraw/zinc/35/07/06/563350706.db2.gz KFUPVMCNARYHKM-UHFFFAOYSA-N 0 0 321.232 4.584 50 0 in-vitro DJAARN Cc1ccc2c(cccc2NC(=O)c2cc3ccccc3o2)n1 ZINC000009252447 563352937 /nfs/dbraw/zinc/35/29/37/563352937.db2.gz HRCQJMBXUVJIOC-UHFFFAOYSA-N 0 0 302.333 4.542 50 0 DJAARN Cc1ccc(Oc2cccc(NC(=O)c3ccco3)c2)cc1C ZINC000009668170 563353803 /nfs/dbraw/zinc/35/38/03/563353803.db2.gz JZRBERPAXBVYOI-UHFFFAOYSA-N 0 0 307.349 4.941 50 0 DJAARN Cc1c(Cl)cccc1NC(=O)C1=Cc2ccccc2OC=C1 ZINC000012274550 563365523 /nfs/dbraw/zinc/36/55/23/563365523.db2.gz QXEULQKFEZDQSY-UHFFFAOYSA-N 0 0 311.768 4.577 50 0 DJAARN O=C1C[C@@H](c2ccccc2OC2CCCC2)c2sccc2N1 ZINC000012375451 563366825 /nfs/dbraw/zinc/36/68/25/563366825.db2.gz WTEYTWGNORIWQU-AWEZNQCLSA-N 0 0 313.422 4.544 50 0 DJAARN COc1ccc(Cl)cc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000012655570 563372541 /nfs/dbraw/zinc/37/25/41/563372541.db2.gz QUVRRTCORUBYQN-UHFFFAOYSA-N 0 0 321.163 4.719 50 0 DJAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000032624579 563373214 /nfs/dbraw/zinc/37/32/14/563373214.db2.gz ATEZSXSKXZOTNZ-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN O=C(Nc1cccc2cccnc21)c1cc(Cl)cc(Cl)c1 ZINC000012799765 563373809 /nfs/dbraw/zinc/37/38/09/563373809.db2.gz BAAYANNPWOFOGT-UHFFFAOYSA-N 0 0 317.175 4.794 50 0 DJAARN O=C(Cc1ccccc1)Nc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000012858321 563374541 /nfs/dbraw/zinc/37/45/41/563374541.db2.gz XGDQYSWYTHTVGI-HNNXBMFYSA-N 0 0 320.219 4.529 50 0 DJAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000012972244 563376272 /nfs/dbraw/zinc/37/62/72/563376272.db2.gz ZDDSEDKPQMKIDH-AWEZNQCLSA-N 0 0 323.823 4.913 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N[C@H]1CCSc2ccccc21 ZINC000012998979 563376925 /nfs/dbraw/zinc/37/69/25/563376925.db2.gz PAUOVZCMABGKQG-AWEZNQCLSA-N 0 0 318.829 4.699 50 0 DJAARN CC(C)Cn1c(=S)[nH]cc1-c1ccc(Br)cc1 ZINC000013135526 563378862 /nfs/dbraw/zinc/37/88/62/563378862.db2.gz AWLKTAVLOGNGLF-UHFFFAOYSA-N 0 0 311.248 4.631 50 0 DJAARN Cc1cccc(OC(=O)/C(=C\c2ccccc2)c2ccccc2)n1 ZINC000013285773 563380247 /nfs/dbraw/zinc/38/02/47/563380247.db2.gz WDJYIUJHRAMUSY-CYVLTUHYSA-N 0 0 315.372 4.536 50 0 DJAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013467353 563381820 /nfs/dbraw/zinc/38/18/20/563381820.db2.gz XMRPGKVKISIQBV-QUARBOCSSA-N 0 0 316.485 4.803 50 0 DJAARN O=C(Cc1ccccc1F)Nc1ccc(Nc2ccccc2)cc1 ZINC000032720190 563383569 /nfs/dbraw/zinc/38/35/69/563383569.db2.gz GEKQUODIBWJRTA-UHFFFAOYSA-N 0 0 320.367 4.751 50 0 DJAARN Cc1onc(C(=O)Nc2ccccc2Sc2ccccc2)c1C ZINC000013641086 563384339 /nfs/dbraw/zinc/38/43/39/563384339.db2.gz XETVQZJIKJSZPU-UHFFFAOYSA-N 0 0 324.405 4.695 50 0 DJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000013708862 563386774 /nfs/dbraw/zinc/38/67/74/563386774.db2.gz LTSQSGAZFNVWEL-MRXNPFEDSA-N 0 0 319.404 4.863 50 0 DJAARN CCc1ccc([C@@H](C)NC(=S)Nc2cccc(C)c2C)cc1 ZINC000013931044 563392176 /nfs/dbraw/zinc/39/21/76/563392176.db2.gz JFRKMZJNJCTMEW-OAHLLOKOSA-N 0 0 312.482 4.913 50 0 DJAARN Cc1ccc(-c2ccc(CNCc3ccco3)o2)cc1Cl ZINC000013943029 563392593 /nfs/dbraw/zinc/39/25/93/563392593.db2.gz FKZMBUGXKSBKRY-UHFFFAOYSA-N 0 0 301.773 4.791 50 0 DJAARN c1ccc2oc(CSC3=Nc4ccccc4CS3)nc2c1 ZINC000014111535 563395589 /nfs/dbraw/zinc/39/55/89/563395589.db2.gz TXEBBCRBXFAUDD-UHFFFAOYSA-N 0 0 312.419 4.996 50 0 DJAARN O=C(C1CCCCC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000014171162 563397104 /nfs/dbraw/zinc/39/71/04/563397104.db2.gz ISWKHUFQFFMJEZ-HNNXBMFYSA-N 0 0 314.454 4.540 50 0 DJAARN CN(Cc1cccs1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014199588 563397535 /nfs/dbraw/zinc/39/75/35/563397535.db2.gz WCAQMLIFXHMSHX-UHFFFAOYSA-N 0 0 315.225 4.719 50 0 DJAARN O=C(Nc1ccccc1SCc1ccsc1)c1ccco1 ZINC000014185772 563397821 /nfs/dbraw/zinc/39/78/21/563397821.db2.gz GVVHRQFHSFSEPB-UHFFFAOYSA-N 0 0 315.419 4.886 50 0 DJAARN Cc1cccc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1C ZINC000032818774 563398181 /nfs/dbraw/zinc/39/81/81/563398181.db2.gz PPROQBOUUCUGBV-UHFFFAOYSA-N 0 0 308.381 4.820 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1Cc2ccccc2S1 ZINC000014211802 563398252 /nfs/dbraw/zinc/39/82/52/563398252.db2.gz IQHRJDVBGJLTQX-AWEZNQCLSA-N 0 0 324.232 4.649 50 0 DJAARN CCc1cccc(C)c1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014399491 563400297 /nfs/dbraw/zinc/40/02/97/563400297.db2.gz VZAOTTOXBQGROS-UHFFFAOYSA-N 0 0 322.452 4.800 50 0 DJAARN C[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000014377428 563400421 /nfs/dbraw/zinc/40/04/21/563400421.db2.gz NVZAIOGHUWCQJM-FZMZJTMJSA-N 0 0 324.405 4.683 50 0 DJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1csc2ccccc12 ZINC000032859697 563402718 /nfs/dbraw/zinc/40/27/18/563402718.db2.gz HRYVEFZCVJLYMS-UHFFFAOYSA-N 0 0 311.450 4.600 50 0 DJAARN Fc1cccc(Cl)c1CSc1ncnc2ccsc21 ZINC000032850640 563402771 /nfs/dbraw/zinc/40/27/71/563402771.db2.gz XJIIKCGXZQXACE-UHFFFAOYSA-N 0 0 310.806 4.776 50 0 DJAARN O=C(Nc1ccc(F)cc1Cl)c1ccccc1C(F)(F)F ZINC000015010243 563405284 /nfs/dbraw/zinc/40/52/84/563405284.db2.gz IWMHGLRZHDOWFT-UHFFFAOYSA-N 0 0 317.669 4.750 50 0 DJAARN c1cc2c(ncnc2N2CCC(CCc3ccccc3)CC2)s1 ZINC000015583546 563410131 /nfs/dbraw/zinc/41/01/31/563410131.db2.gz GWTZIZCUJRZRGS-UHFFFAOYSA-N 0 0 323.465 4.541 50 0 DJAARN C[C@@H](S[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1F ZINC000032907800 563410867 /nfs/dbraw/zinc/41/08/67/563410867.db2.gz CFKTYKVQKLUAMK-QWHCGFSZSA-N 0 0 303.402 4.647 50 0 DJAARN CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000032905609 563411016 /nfs/dbraw/zinc/41/10/16/563411016.db2.gz ORWUAUACVJTQJD-INIZCTEOSA-N 0 0 320.219 4.753 50 0 DJAARN Cc1ccc(OCCSc2nnc(C3CCCCC3)o2)cc1 ZINC000032945407 563418388 /nfs/dbraw/zinc/41/83/88/563418388.db2.gz ODKYFLFGESXCHW-UHFFFAOYSA-N 0 0 318.442 4.597 50 0 DJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(F)ccc1F ZINC000022562645 563419182 /nfs/dbraw/zinc/41/91/82/563419182.db2.gz SDJNCYQHJSHINC-UHFFFAOYSA-N 0 0 302.107 4.524 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)C1CC1 ZINC000025234816 563421851 /nfs/dbraw/zinc/42/18/51/563421851.db2.gz WWDHLTFBTSJWOI-UHFFFAOYSA-N 0 0 300.789 4.537 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025314358 563422255 /nfs/dbraw/zinc/42/22/55/563422255.db2.gz WKUMKPXQAJDHNC-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN O=C(Nc1nc(C2CC2)cs1)c1ccccc1-c1ccccc1 ZINC000026050106 563424345 /nfs/dbraw/zinc/42/43/45/563424345.db2.gz JJRQDQVOXDSIQO-UHFFFAOYSA-N 0 0 320.417 4.940 50 0 DJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000027255208 563427416 /nfs/dbraw/zinc/42/74/16/563427416.db2.gz IRQNCCGYCLLPIX-MGPUTAFESA-N 0 0 322.452 4.708 50 0 DJAARN CCOc1ccccc1NC(=O)c1oc2cc(C)ccc2c1C ZINC000027794608 563430206 /nfs/dbraw/zinc/43/02/06/563430206.db2.gz QUTJASZHZXNKCS-UHFFFAOYSA-N 0 0 309.365 4.701 50 0 DJAARN COc1ccccc1NC(=O)c1oc2c(cc(C)cc2C)c1C ZINC000028228384 563430517 /nfs/dbraw/zinc/43/05/17/563430517.db2.gz RYPBFLARSJDBQU-UHFFFAOYSA-N 0 0 309.365 4.619 50 0 DJAARN CC(C)CC(=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000028228452 563430732 /nfs/dbraw/zinc/43/07/32/563430732.db2.gz NIUJCDLFVNWOAY-UHFFFAOYSA-N 0 0 305.805 4.508 50 0 DJAARN CC(C)Cc1ccc([C@@H](C)c2n[nH]c(=S)n2C(C)C)cc1 ZINC000028295957 563431674 /nfs/dbraw/zinc/43/16/74/563431674.db2.gz SCUXKLDMYQIYIM-CYBMUJFWSA-N 0 0 303.475 4.872 50 0 DJAARN CCc1nc(SCc2sc3ccccc3c2Cl)n[nH]1 ZINC000028473659 563432290 /nfs/dbraw/zinc/43/22/90/563432290.db2.gz TYFQWWHDIKZEHM-UHFFFAOYSA-N 0 0 309.847 4.528 50 0 DJAARN CC(C)(C)SCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000028689448 563432525 /nfs/dbraw/zinc/43/25/25/563432525.db2.gz AHFHVYYIWRIEAU-UHFFFAOYSA-N 0 0 314.454 4.900 50 0 DJAARN C[C@@H](Sc1ccccc1Cl)c1nc(-c2ccco2)no1 ZINC000029738141 563435201 /nfs/dbraw/zinc/43/52/01/563435201.db2.gz ZKSBQHYMBARTPL-SECBINFHSA-N 0 0 306.774 4.836 50 0 DJAARN O=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000032151023 563442136 /nfs/dbraw/zinc/44/21/36/563442136.db2.gz YHKDMJOYMRUGBQ-UHFFFAOYSA-N 0 0 318.216 4.955 50 0 DJAARN CC(=O)Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000214922 563446966 /nfs/dbraw/zinc/44/69/66/563446966.db2.gz XWIAZIYULPZGDL-UHFFFAOYSA-N 0 0 317.388 4.891 50 0 DJAARN O=C(C[C@H](c1ccc(F)cc1)[C@H]1CCCCC1=O)c1ccccc1 ZINC000000307692 563447615 /nfs/dbraw/zinc/44/76/15/563447615.db2.gz GTXZGYKPXWBFQH-RTBURBONSA-N 0 0 324.395 4.942 50 0 DJAARN CCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000001219068 563447929 /nfs/dbraw/zinc/44/79/29/563447929.db2.gz KUDPHPHCMXHZLM-UHFFFAOYSA-N 0 0 316.813 4.965 50 0 DJAARN O=C1N=C2C(=Cc3ccccc3)CCCC2[C@H](c2ccccc2)N1 ZINC000002455845 563448209 /nfs/dbraw/zinc/44/82/09/563448209.db2.gz NFRZKWYPMCUOCU-FLXZHSAZSA-N 0 0 316.404 4.562 50 0 DJAARN Cc1cc(C)c(NC(=O)OCc2cccc3cccnc32)c(C)c1 ZINC000022298678 563449677 /nfs/dbraw/zinc/44/96/77/563449677.db2.gz ZFMDIUDKVPLOKM-UHFFFAOYSA-N 0 0 320.392 4.909 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000036619758 563455228 /nfs/dbraw/zinc/45/52/28/563455228.db2.gz FQCCOYHSHVFSKJ-INIZCTEOSA-N 0 0 318.779 4.848 50 0 DJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000036619759 563455453 /nfs/dbraw/zinc/45/54/53/563455453.db2.gz FQCCOYHSHVFSKJ-MRXNPFEDSA-N 0 0 318.779 4.848 50 0 DJAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000036619730 563455494 /nfs/dbraw/zinc/45/54/94/563455494.db2.gz OPDJSSBTBQTNAW-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000036620451 563455890 /nfs/dbraw/zinc/45/58/90/563455890.db2.gz SJSWTPVZJISHTO-LJQANCHMSA-N 0 0 324.424 4.763 50 0 DJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000036620861 563455907 /nfs/dbraw/zinc/45/59/07/563455907.db2.gz XXHBFPCJZWWBHL-IBGZPJMESA-N 0 0 308.425 4.981 50 0 DJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1F ZINC000036620571 563456041 /nfs/dbraw/zinc/45/60/41/563456041.db2.gz LNAZMRLPEPROMG-QGZVFWFLSA-N 0 0 316.351 4.642 50 0 DJAARN CCCCS[C@H](C)C(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000071794631 563460345 /nfs/dbraw/zinc/46/03/45/563460345.db2.gz FLVNJUGPCKNRLX-OAHLLOKOSA-N 0 0 322.518 4.782 50 0 DJAARN CCCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000033004003 563461357 /nfs/dbraw/zinc/46/13/57/563461357.db2.gz HPZVUFQOATVOKC-UHFFFAOYSA-N 0 0 312.344 4.763 50 0 DJAARN CCn1c2ccccc2c2cc(N[C@H](C)c3nnc(C)o3)ccc21 ZINC000071902380 563468009 /nfs/dbraw/zinc/46/80/09/563468009.db2.gz HCDFIAUFBUKELC-GFCCVEGCSA-N 0 0 320.396 4.679 50 0 DJAARN CCc1ccc(CN(Cc2ccsc2)Cc2ccco2)nc1 ZINC000055119853 563471653 /nfs/dbraw/zinc/47/16/53/563471653.db2.gz LFURDGHAGALWBY-UHFFFAOYSA-N 0 0 312.438 4.501 50 0 DJAARN CCC(CC)n1ncc(C)c1NC(=O)c1cc(Cl)ccc1C ZINC000055271872 563473418 /nfs/dbraw/zinc/47/34/18/563473418.db2.gz FIMLVWYWISJORE-UHFFFAOYSA-N 0 0 319.836 4.767 50 0 DJAARN CN(Cc1ccccc1-c1ccccc1)C(=O)/C=C/c1ccco1 ZINC000072065851 563479558 /nfs/dbraw/zinc/47/95/58/563479558.db2.gz FLISTCXNFDCDDU-BUHFOSPRSA-N 0 0 317.388 4.618 50 0 DJAARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccccc1C(F)(F)F ZINC000011201993 563480366 /nfs/dbraw/zinc/48/03/66/563480366.db2.gz PDUIQUOZOMRPKT-MRXNPFEDSA-N 0 0 319.326 4.587 50 0 DJAARN CC(C)c1cc([C@@H]2CCCN2Cc2ccccc2Cl)on1 ZINC000064984515 563486726 /nfs/dbraw/zinc/48/67/26/563486726.db2.gz YVYJPGHRCGDEEC-INIZCTEOSA-N 0 0 304.821 4.789 50 0 DJAARN C[C@@H](c1nccs1)n1ccnc1-c1ccccc1-c1ccco1 ZINC000067691093 563488786 /nfs/dbraw/zinc/48/87/86/563488786.db2.gz AMFFWXXCNQCJMG-ZDUSSCGKSA-N 0 0 321.405 4.876 50 0 DJAARN C[C@H](CCCC(C)(C)O)n1ccnc1-c1cccc2cnccc21 ZINC000067805647 563491518 /nfs/dbraw/zinc/49/15/18/563491518.db2.gz MKRDCKLFSXCLEU-OAHLLOKOSA-N 0 0 323.440 4.601 50 0 DJAARN Cc1cccc(NC(=O)c2cccnc2-c2cccs2)c1C ZINC000033139022 563497049 /nfs/dbraw/zinc/49/70/49/563497049.db2.gz CIQUFACYBQEIPK-UHFFFAOYSA-N 0 0 308.406 4.679 50 0 DJAARN CCc1nn2c(nccc2-c2cccs2)c1-c1ccc(F)cc1 ZINC000071385406 563499103 /nfs/dbraw/zinc/49/91/03/563499103.db2.gz YPAPLXNTBOHHIS-UHFFFAOYSA-N 0 0 323.396 4.826 50 0 DJAARN Fc1ccc(-c2nc3ccccc3c(N3CCCCCC3)n2)cc1 ZINC000000038319 563508100 /nfs/dbraw/zinc/50/81/00/563508100.db2.gz NFAGZEUPUMFYSJ-UHFFFAOYSA-N 0 0 321.399 4.816 50 0 DJAARN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCC[C@H]32)cc1 ZINC000033271187 563518014 /nfs/dbraw/zinc/51/80/14/563518014.db2.gz RTMZOTZYPWCIDK-VDGAXYAQSA-N 0 0 309.409 4.556 50 0 DJAARN Cc1[nH]c2c(sc(C)c2C(=O)Nc2cccc(F)c2)c1C ZINC000033280473 563518635 /nfs/dbraw/zinc/51/86/35/563518635.db2.gz JRHZJSHAOKHKGZ-UHFFFAOYSA-N 0 0 302.374 4.546 50 0 DJAARN COc1ccc(-c2cc(COc3ccc(Cl)cc3)on2)cc1 ZINC000011298557 563519102 /nfs/dbraw/zinc/51/91/02/563519102.db2.gz AVMCPXSZSLULRD-UHFFFAOYSA-N 0 0 315.756 4.583 50 0 DJAARN Nc1ccc(-c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000084846970 563520014 /nfs/dbraw/zinc/52/00/14/563520014.db2.gz FZUVOSDHXZGGNI-UHFFFAOYSA-N 0 0 306.434 4.938 50 0 DJAARN O=C1C[C@H](c2ccc(Cl)cc2)c2c(ccc3ccccc32)N1 ZINC000000079887 563523146 /nfs/dbraw/zinc/52/31/46/563523146.db2.gz AQJRALPRSIVPKZ-MRXNPFEDSA-N 0 0 307.780 4.967 50 0 DJAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(Cl)ccc1C)C2 ZINC000011479494 563527505 /nfs/dbraw/zinc/52/75/05/563527505.db2.gz KQRWPJZURSDJQK-MRXNPFEDSA-N 0 0 317.841 4.612 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1F ZINC000095067871 563528341 /nfs/dbraw/zinc/52/83/41/563528341.db2.gz YOGMNHQPUKVTIV-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN Cc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1F ZINC000095067866 563528354 /nfs/dbraw/zinc/52/83/54/563528354.db2.gz VCFRMUFLZNNNML-UHFFFAOYSA-N 0 0 312.266 4.797 50 0 DJAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccncc1 ZINC000011512503 563528432 /nfs/dbraw/zinc/52/84/32/563528432.db2.gz TZHMQZLPSZQCIO-UHFFFAOYSA-N 0 0 324.767 4.780 50 0 DJAARN Brc1c2cc[nH]c2ccc1OCc1ccccc1 ZINC000095936406 563531619 /nfs/dbraw/zinc/53/16/19/563531619.db2.gz XOMIUWWEVQLFBX-UHFFFAOYSA-N 0 0 302.171 4.509 50 0 DJAARN CC(C)(C)c1cc2c(c(-c3csc(N)n3)c1)CCC2(C)C ZINC000095929212 563531666 /nfs/dbraw/zinc/53/16/66/563531666.db2.gz OMHPPGJSDNIYFI-UHFFFAOYSA-N 0 0 300.471 4.914 50 0 DJAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000096318623 563536420 /nfs/dbraw/zinc/53/64/20/563536420.db2.gz FCAJDSNNKQBIMT-UHFFFAOYSA-N 0 0 313.706 4.920 50 0 DJAARN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000098072820 563543871 /nfs/dbraw/zinc/54/38/71/563543871.db2.gz XVLBKGOVMVJQTF-UHFFFAOYSA-N 0 0 308.303 4.966 50 0 DJAARN O=C(c1c(F)cccc1F)N(Cc1ccccc1)c1ccccc1 ZINC000098071634 563544080 /nfs/dbraw/zinc/54/40/80/563544080.db2.gz GPQFSRTYCAFMCY-UHFFFAOYSA-N 0 0 323.342 4.812 50 0 DJAARN O=C1[C@H](Cc2cccs2)c2ccccc2N1c1ccccc1 ZINC000101014324 563555909 /nfs/dbraw/zinc/55/59/09/563555909.db2.gz NOAAQJRGNCBIJW-QGZVFWFLSA-N 0 0 305.402 4.753 50 0 DJAARN COC(=O)c1cnc(Nc2ccc(C(C)C)cc2)c2ccccc12 ZINC000000109975 563570308 /nfs/dbraw/zinc/57/03/08/563570308.db2.gz ZGPAKEBNLQLHNA-UHFFFAOYSA-N 0 0 320.392 4.888 50 0 DJAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)c1 ZINC000000115082 563571045 /nfs/dbraw/zinc/57/10/45/563571045.db2.gz OFEZFEKKERIMKE-HNNXBMFYSA-N 0 0 310.422 4.562 50 0 DJAARN Cc1ccc(-c2nc3scc(-c4ccccc4)c3c(=O)o2)cc1 ZINC000000150404 563573245 /nfs/dbraw/zinc/57/32/45/563573245.db2.gz JXTWRVVREMWLEO-UHFFFAOYSA-N 0 0 319.385 4.892 50 0 DJAARN Cc1nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc1C ZINC000000149969 563573313 /nfs/dbraw/zinc/57/33/13/563573313.db2.gz UHPPCKGHDXGDKC-UHFFFAOYSA-N 0 0 316.213 4.711 50 0 DJAARN CC(C)OC(=O)Cc1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000000165893 563573966 /nfs/dbraw/zinc/57/39/66/563573966.db2.gz UHRFVKQGDCWNCH-UHFFFAOYSA-N 0 0 317.454 4.602 50 0 DJAARN c1ccc([C@@H]2C3CCCCC3=Nc3nc4ccccc4n32)cc1 ZINC000000177836 563575301 /nfs/dbraw/zinc/57/53/01/563575301.db2.gz UFTRRJLJSINTRU-LJQANCHMSA-N 0 0 301.393 4.879 50 0 DJAARN Clc1ccc(-n2ncnc2-c2cccc(Cl)c2Cl)cc1 ZINC000000180864 563575505 /nfs/dbraw/zinc/57/55/05/563575505.db2.gz GKVPPDJOWIFWEE-UHFFFAOYSA-N 0 0 324.598 4.895 50 0 DJAARN c1ccc(C(Sc2nnc3ccccn32)c2ccccc2)cc1 ZINC000000180436 563575598 /nfs/dbraw/zinc/57/55/98/563575598.db2.gz DCXDLYFLDHSEJQ-UHFFFAOYSA-N 0 0 317.417 4.611 50 0 DJAARN COc1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000000197470 563577307 /nfs/dbraw/zinc/57/73/07/563577307.db2.gz LVSMGZPRGNASEC-SDNWHVSQSA-N 0 0 309.409 4.645 50 0 biogenic DJAARN COc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1 ZINC000000203251 563577855 /nfs/dbraw/zinc/57/78/55/563577855.db2.gz NRJVBCVEBNZDOR-FQEVSTJZSA-N 0 0 311.705 4.662 50 0 DJAARN Cc1ccc2c(c1)/C(=C/c1ccc(Cl)cc1Cl)C(=O)N2 ZINC000000213393 563578488 /nfs/dbraw/zinc/57/84/88/563578488.db2.gz NSKVFODEMHVUAH-QPEQYQDCSA-N 0 0 304.176 4.795 50 0 DJAARN Cc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1 ZINC000000210986 563578766 /nfs/dbraw/zinc/57/87/66/563578766.db2.gz HAIPKUAHTSCCKG-UHFFFAOYSA-N 0 0 322.433 4.582 50 0 DJAARN Fc1cccc(Br)c1-c1ccnc(C(F)F)c1 ZINC000725273753 563579291 /nfs/dbraw/zinc/57/92/91/563579291.db2.gz ZPSRYLKBFAXCDS-UHFFFAOYSA-N 0 0 302.093 4.588 50 0 DJAARN O=C(c1ccc(Cl)cc1)n1c(=S)oc2ccc(Cl)cc21 ZINC000000241239 563581172 /nfs/dbraw/zinc/58/11/72/563581172.db2.gz LGRVUZQNPDQPRF-UHFFFAOYSA-N 0 0 324.188 4.959 50 0 biogenic DJAARN CCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1 ZINC000000245172 563581199 /nfs/dbraw/zinc/58/11/99/563581199.db2.gz CNBDLWUHZPPYIC-UHFFFAOYSA-N 0 0 323.392 4.626 50 0 DJAARN CCOc1ccc(NC(=O)C[C@H](C)Cc2ccc(C)cc2)cc1 ZINC000000249117 563581936 /nfs/dbraw/zinc/58/19/36/563581936.db2.gz CBLZZTHIKFSYEG-MRXNPFEDSA-N 0 0 311.425 4.601 50 0 DJAARN CCc1cccc(C)c1NC(=S)N1CC[C@@H](c2ccccc2)C1 ZINC000000263630 563583369 /nfs/dbraw/zinc/58/33/69/563583369.db2.gz WUKRLRMDOSXBBG-GOSISDBHSA-N 0 0 324.493 4.744 50 0 DJAARN O=C(c1cc(Cl)ccc1Cl)N1CC[C@@H](c2ccccc2)C1 ZINC000000260763 563583578 /nfs/dbraw/zinc/58/35/78/563583578.db2.gz WDYMIIPGBYETTP-CYBMUJFWSA-N 0 0 320.219 4.623 50 0 DJAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccs1 ZINC000000267342 563583982 /nfs/dbraw/zinc/58/39/82/563583982.db2.gz DQHBWQKZLJCHDQ-UHFFFAOYSA-N 0 0 320.373 4.809 50 0 DJAARN Oc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1 ZINC000000271669 563584011 /nfs/dbraw/zinc/58/40/11/563584011.db2.gz LNUYTUZRQGHPMJ-UHFFFAOYSA-N 0 0 304.321 4.538 50 0 DJAARN CSc1ccc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc1 ZINC000000285893 563584775 /nfs/dbraw/zinc/58/47/75/563584775.db2.gz WNRUFPUMOMWINJ-UHFFFAOYSA-N 0 0 312.390 4.504 50 0 biogenic DJAARN Cc1cc2nc(-c3cccc(F)c3)c(NC(C)(C)C)n2c(C)c1 ZINC000000320309 563588219 /nfs/dbraw/zinc/58/82/19/563588219.db2.gz SKCBKCBSHSUSCB-UHFFFAOYSA-N 0 0 311.404 4.968 50 0 DJAARN Cc1cc2nc(-c3ccccc3F)c(NC(C)(C)C)n2c(C)c1 ZINC000000320302 563588281 /nfs/dbraw/zinc/58/82/81/563588281.db2.gz AJDXCSLFKXIKMK-UHFFFAOYSA-N 0 0 311.404 4.968 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000000365155 563590711 /nfs/dbraw/zinc/59/07/11/563590711.db2.gz GWAKUXDHTZLAHZ-UHFFFAOYSA-N 0 0 303.789 4.595 50 0 DJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000000364461 563590817 /nfs/dbraw/zinc/59/08/17/563590817.db2.gz DVNKDERLAQRKFQ-MRXNPFEDSA-N 0 0 320.219 4.801 50 0 DJAARN CC(=O)C[C@@H]1[C@](C)(OC(C)=O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000004854766 563591726 /nfs/dbraw/zinc/59/17/26/563591726.db2.gz XHETYBHZFONUCC-PBWTXFEYSA-N 0 0 308.462 4.530 50 0 DJAARN CC1(C)Cc2nn(-c3ccccc3)c(-c3cccs3)c2C(=O)C1 ZINC000000384368 563591771 /nfs/dbraw/zinc/59/17/71/563591771.db2.gz QOAPURMQILFROY-UHFFFAOYSA-N 0 0 322.433 4.756 50 0 DJAARN CCn1c(C)c2c3cc(-c4ccccc4)cn3nc(C)c2c1C ZINC000033575632 563594620 /nfs/dbraw/zinc/59/46/20/563594620.db2.gz NEBAYBWLUPPBBZ-UHFFFAOYSA-N 0 0 303.409 4.901 50 0 DJAARN Cc1ccccc1[C@H]1CN=N[C@@]12CCCc1ccccc1C2=O ZINC000033787367 563597028 /nfs/dbraw/zinc/59/70/28/563597028.db2.gz IXUDMFOFFNQZGS-QUCCMNQESA-N 0 0 304.393 4.502 50 0 DJAARN CCc1ccc(-c2cn(-c3ccc(OC)cc3)c(=S)[nH]2)cc1 ZINC000000424389 563612049 /nfs/dbraw/zinc/61/20/49/563612049.db2.gz ZNJYEBYTCKCQGD-UHFFFAOYSA-N 0 0 310.422 4.773 50 0 DJAARN CCOc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1OCC ZINC000000422224 563612200 /nfs/dbraw/zinc/61/22/00/563612200.db2.gz CWWURGXOXIGVDL-UHFFFAOYSA-N 0 0 324.380 4.509 50 0 DJAARN Cc1ccc2cc3cc(C(=O)NCCC(C)C)sc3nc2c1 ZINC000000428330 563612535 /nfs/dbraw/zinc/61/25/35/563612535.db2.gz GTCFKGVUXPMKLA-UHFFFAOYSA-N 0 0 312.438 4.534 50 0 DJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000000431355 563614568 /nfs/dbraw/zinc/61/45/68/563614568.db2.gz BAXVFRKYXMJMGQ-MRXNPFEDSA-N 0 0 321.804 4.566 50 0 DJAARN Cc1c(C)n(C)c2ccc(C(=O)Nc3cccc(Cl)c3)cc12 ZINC000000371659 563616024 /nfs/dbraw/zinc/61/60/24/563616024.db2.gz GXVFUCPRDIWKAI-UHFFFAOYSA-N 0 0 312.800 4.701 50 0 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CCc1ccccc1NC(=O)COc1ccc([C@@H](C)CC)cc1 ZINC000000505774 563629872 /nfs/dbraw/zinc/62/98/72/563629872.db2.gz JPCQTNFLEZTJBR-HNNXBMFYSA-N 0 0 311.425 4.780 50 0 DJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000000443634 563630379 /nfs/dbraw/zinc/63/03/79/563630379.db2.gz GVSPNNWJLIDZNC-UHFFFAOYSA-N 0 0 305.708 4.673 50 0 DJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000446957 563630395 /nfs/dbraw/zinc/63/03/95/563630395.db2.gz UZDQWMCUXFREJA-ZDUSSCGKSA-N 0 0 317.816 4.871 50 0 DJAARN CCN(CC)c1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000000477493 563630752 /nfs/dbraw/zinc/63/07/52/563630752.db2.gz ODSHMDNOAKWWIH-UHFFFAOYSA-N 0 0 311.816 4.796 50 0 DJAARN Cc1ccc(C(=O)CSc2nc3ccccc3s2)cc1C ZINC000000579118 563631215 /nfs/dbraw/zinc/63/12/15/563631215.db2.gz BDKKUZQFLOYDOO-UHFFFAOYSA-N 0 0 313.447 4.888 50 0 DJAARN COC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)cc1 ZINC000000618359 563631848 /nfs/dbraw/zinc/63/18/48/563631848.db2.gz WFLIQJVRGXUQMM-UHFFFAOYSA-N 0 0 318.372 4.719 50 0 DJAARN S=C(Nc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000000618482 563631866 /nfs/dbraw/zinc/63/18/66/563631866.db2.gz CGLXQUYFYNSTAJ-UHFFFAOYSA-N 0 0 318.445 4.763 50 0 DJAARN CCN1c2ccccc2S/C1=C\C(=S)Nc1ccccc1 ZINC000017778506 563633195 /nfs/dbraw/zinc/63/31/95/563633195.db2.gz HPEMMDGYVADACB-ATVHPVEESA-N 0 0 312.463 4.900 50 0 DJAARN CCOc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000000480477 563639066 /nfs/dbraw/zinc/63/90/66/563639066.db2.gz UBUVQLZOQFPCBO-UHFFFAOYSA-N 0 0 310.422 4.636 50 0 DJAARN O=C(c1cccs1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206878252 563639930 /nfs/dbraw/zinc/63/99/30/563639930.db2.gz HYKWQXARBSUHPF-AWEZNQCLSA-N 0 0 319.857 4.811 50 0 DJAARN CC(C)CCOc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000486101 563647045 /nfs/dbraw/zinc/64/70/45/563647045.db2.gz KMBAGVYDPXHSPE-UHFFFAOYSA-N 0 0 308.377 4.885 50 0 biogenic DJAARN CCSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000000497424 563650843 /nfs/dbraw/zinc/65/08/43/563650843.db2.gz BUSKUNVSROGQNJ-VIFPVBQESA-N 0 0 321.515 4.537 50 0 DJAARN 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563808942 /nfs/dbraw/zinc/80/89/42/563808942.db2.gz QPLWPTQTQQOVTK-GFCCVEGCSA-N 0 0 313.788 4.872 50 0 DJAARN Cc1cccc([C@@H]2SC(=O)N=C3c4ccccc4C(=O)C32)c1 ZINC000001276087 563810044 /nfs/dbraw/zinc/81/00/44/563810044.db2.gz REDYMRBUZVXZNK-KRWDZBQOSA-N 0 0 307.374 4.675 50 0 DJAARN Cc1cc(C)c2c(c1C)O[C@]1(C=N2)N(C)c2ccccc2C1(C)C ZINC000001272551 563810729 /nfs/dbraw/zinc/81/07/29/563810729.db2.gz RVQVQQRVJJKSOF-NRFANRHFSA-N 0 0 320.436 4.830 50 0 DJAARN CSCc1cc(Oc2ccccc2)nc(-c2ccccc2)n1 ZINC000001382545 563814374 /nfs/dbraw/zinc/81/43/74/563814374.db2.gz VHCXTZCDVLISBT-UHFFFAOYSA-N 0 0 308.406 4.799 50 0 DJAARN Cc1ccccc1CSc1cc2c(nn1)-c1ccccc1CC2 ZINC000001390181 563816977 /nfs/dbraw/zinc/81/69/77/563816977.db2.gz OYZHDHWXHVKPTO-UHFFFAOYSA-N 0 0 318.445 4.843 50 0 DJAARN Cn1c(Cl)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000001393056 563817278 /nfs/dbraw/zinc/81/72/78/563817278.db2.gz DGBHLXYEPIJNFG-UHFFFAOYSA-N 0 0 319.191 4.737 50 0 aggregator DJAARN c1ccc(CSc2nnc(SC3CCCC3)s2)cc1 ZINC000001392745 563817442 /nfs/dbraw/zinc/81/74/42/563817442.db2.gz JGSBCJPKJXRRRL-UHFFFAOYSA-N 0 0 308.497 4.865 50 0 DJAARN Cc1ccccc1CN1c2cc(Cl)ccc2SCCC1=O ZINC000001392664 563817444 /nfs/dbraw/zinc/81/74/44/563817444.db2.gz AYCUFLDOLQOZRB-UHFFFAOYSA-N 0 0 317.841 4.677 50 0 DJAARN CSc1nc2ccsc2c(Sc2ccc(C)cc2)n1 ZINC000001394052 563817535 /nfs/dbraw/zinc/81/75/35/563817535.db2.gz OJGSZQMSEJMLKK-UHFFFAOYSA-N 0 0 304.465 4.873 50 0 DJAARN O=C(c1ccc(Cl)cc1)N1CCC2=C(CCc3ccccc32)C1 ZINC000001393258 563817634 /nfs/dbraw/zinc/81/76/34/563817634.db2.gz CKXOQANGUGZZIC-UHFFFAOYSA-N 0 0 323.823 4.586 50 0 DJAARN FC(F)Oc1ccc2nc3scc(-c4ccccc4)n3c2c1 ZINC000001398031 563817998 /nfs/dbraw/zinc/81/79/98/563817998.db2.gz DKQZRBMVJABFDA-UHFFFAOYSA-N 0 0 316.332 4.817 50 0 DJAARN Cc1noc(C)c1CNc1ccc(C)cc1OCc1ccccc1 ZINC000084146353 563823508 /nfs/dbraw/zinc/82/35/08/563823508.db2.gz HSWHHAJHCWHPOE-UHFFFAOYSA-N 0 0 322.408 4.791 50 0 DJAARN CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1 ZINC000012761138 563825426 /nfs/dbraw/zinc/82/54/26/563825426.db2.gz YHJBFEKIZKJYSZ-UHFFFAOYSA-N 0 0 321.351 4.895 50 0 DJAARN C[C@H]1CCCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000084697652 563829879 /nfs/dbraw/zinc/82/98/79/563829879.db2.gz RAYHFYQOLWVYIG-DZGCQCFKSA-N 0 0 308.491 4.667 50 0 DJAARN C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000012784902 563831602 /nfs/dbraw/zinc/83/16/02/563831602.db2.gz JXVHCADOBPOEKO-MRVPVSSYSA-N 0 0 300.210 4.546 50 0 DJAARN Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(C)n1 ZINC000121114847 563834329 /nfs/dbraw/zinc/83/43/29/563834329.db2.gz JWJIVHCWKQQLDA-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Fc1ccc(/C=C\c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000035077429 563836564 /nfs/dbraw/zinc/83/65/64/563836564.db2.gz HBUDGXGATTVPMQ-YFHOEESVSA-N 0 0 300.720 4.700 50 0 DJAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000000541800 563843193 /nfs/dbraw/zinc/84/31/93/563843193.db2.gz LOKXMXPQBBOLFY-UHFFFAOYSA-N 0 0 315.731 4.991 50 0 DJAARN CCc1ccc(-c2noc(-c3cc(Cl)ccc3OC)n2)cc1 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ZINC000075260960 563862164 /nfs/dbraw/zinc/86/21/64/563862164.db2.gz MUYIFKXUEVXSPQ-UHFFFAOYSA-N 0 0 303.409 4.533 50 0 DJAARN CCCCCc1ccc([C@@H]2CC(=O)Nc3ccccc3N2)cc1 ZINC000075260563 563862188 /nfs/dbraw/zinc/86/21/88/563862188.db2.gz PIGFWAGVUUIRKQ-IBGZPJMESA-N 0 0 308.425 4.915 50 0 DJAARN Cc1ccc2onc(-c3cnc4c(c3)COc3ccccc3-4)c2c1 ZINC000075279415 563862627 /nfs/dbraw/zinc/86/26/27/563862627.db2.gz VHKCDDLRTPYHNU-UHFFFAOYSA-N 0 0 314.344 4.758 50 0 DJAARN Cc1nnc(-c2nc3c(C)cccc3cc2-c2ccccc2)o1 ZINC000075279972 563862687 /nfs/dbraw/zinc/86/26/87/563862687.db2.gz UUMNPEQZYOBSSN-UHFFFAOYSA-N 0 0 301.349 4.569 50 0 DJAARN CC(C)c1ccc([C@]2(C(F)(F)F)Cc3c(cccc3N)O2)cc1 ZINC000075286283 563862801 /nfs/dbraw/zinc/86/28/01/563862801.db2.gz RRRSLAAJOHUDHR-KRWDZBQOSA-N 0 0 321.342 4.785 50 0 DJAARN O=C(NCc1ccc(-c2cccs2)o1)c1ccccc1Cl ZINC000575609190 563865711 /nfs/dbraw/zinc/86/57/11/563865711.db2.gz RBIVFOLBUQRKEE-UHFFFAOYSA-N 0 0 317.797 4.592 50 0 DJAARN CC(=O)Nc1ccccc1OCc1c(Cl)cccc1Cl ZINC000006231735 563866765 /nfs/dbraw/zinc/86/67/65/563866765.db2.gz QFCLFUMNMSLGHS-UHFFFAOYSA-N 0 0 310.180 4.531 50 0 DJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000035536536 563872199 /nfs/dbraw/zinc/87/21/99/563872199.db2.gz PLKZAYXNHQRLJE-UHFFFAOYSA-N 0 0 324.355 4.658 50 0 DJAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1ccccc1C ZINC000035671923 563873853 /nfs/dbraw/zinc/87/38/53/563873853.db2.gz XVAHLLWMFSFSNY-UHFFFAOYSA-N 0 0 306.365 4.519 50 0 DJAARN CC(Sc1nnc(Cc2ccccc2)o1)C(=O)c1ccccc1 ZINC000101732787 563875655 /nfs/dbraw/zinc/87/56/55/563875655.db2.gz IAIXTTKBCMLDAT-LGMDPLHJSA-N 0 0 324.405 4.699 50 0 DJAARN COc1ccc(-c2noc([C@H](C)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000130125217 563877874 /nfs/dbraw/zinc/87/78/74/563877874.db2.gz RUSJCQONQQHBQQ-AWEZNQCLSA-N 0 0 323.396 4.535 50 0 DJAARN Oc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@H]23)c1 ZINC000035360389 563878108 /nfs/dbraw/zinc/87/81/08/563878108.db2.gz AQVWDLUIXOCMMW-JLSDUUJJSA-N 0 0 315.800 4.680 50 0 DJAARN CCCCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1 ZINC000001791789 563878609 /nfs/dbraw/zinc/87/86/09/563878609.db2.gz GRHXFFGFFSZCEO-UHFFFAOYSA-N 0 0 311.454 4.679 50 0 DJAARN O=C(Nc1c(Cl)cccc1Cl)c1cccc(Cl)c1 ZINC000000397975 563879094 /nfs/dbraw/zinc/87/90/94/563879094.db2.gz JRUYITJBRSEVJP-UHFFFAOYSA-N 0 0 300.572 4.899 50 0 DJAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]32)C1 ZINC000239563188 563880161 /nfs/dbraw/zinc/88/01/61/563880161.db2.gz XJBMGBWQXGCCNJ-LPYKTLRWSA-N 0 0 316.485 5.271 50 0 DJAARN Cc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)o1 ZINC000002648745 563882946 /nfs/dbraw/zinc/88/29/46/563882946.db2.gz ULKFPKRFXWOKHS-UHFFFAOYSA-N 0 0 314.410 4.501 50 0 DJAARN O=C(CNc1cccc(F)c1)Nc1ccccc1-c1ccccc1 ZINC000007971941 563890348 /nfs/dbraw/zinc/89/03/48/563890348.db2.gz AIJWGMOTBBTDMW-UHFFFAOYSA-N 0 0 320.367 4.543 50 0 DJAARN COc1ccc(NC(=O)Nc2cccc3ccccc32)cc1OC ZINC000006847290 563897019 /nfs/dbraw/zinc/89/70/19/563897019.db2.gz KISYUOBSVNWPCG-UHFFFAOYSA-N 0 0 322.364 4.501 50 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CC(=O)Nc1ccc(SCc2c(F)cccc2Cl)cc1 ZINC000007028287 563901151 /nfs/dbraw/zinc/90/11/51/563901151.db2.gz YBRKTESSBVCBNJ-UHFFFAOYSA-N 0 0 309.793 4.730 50 0 DJAARN Cc1ccc(-c2nc(S[C@@H](C)c3ccc(F)cc3)n[nH]2)cc1 ZINC000007191782 563904348 /nfs/dbraw/zinc/90/43/48/563904348.db2.gz MEKBWRWZWCREQN-LBPRGKRZSA-N 0 0 313.401 4.773 50 0 DJAARN c1ccc2c(c1)-c1ccccc1C2Nc1ccc2c(c1)OCCO2 ZINC000007221896 563904525 /nfs/dbraw/zinc/90/45/25/563904525.db2.gz MTNLWSVXYGFQAN-UHFFFAOYSA-N 0 0 315.372 4.640 50 0 DJAARN Cc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000007223254 563904596 /nfs/dbraw/zinc/90/45/96/563904596.db2.gz HFNFADFOKMCEGR-LLVKDONJSA-N 0 0 323.223 4.741 50 0 DJAARN CCc1ccc(NCc2cc(=O)oc3cc(CC)ccc23)cc1 ZINC000007240327 563904855 /nfs/dbraw/zinc/90/48/55/563904855.db2.gz WWYHTWFHWWYUIE-UHFFFAOYSA-N 0 0 307.393 4.530 50 0 DJAARN Cc1cccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000007264140 563904911 /nfs/dbraw/zinc/90/49/11/563904911.db2.gz VOPNHYLDRDCATN-INIZCTEOSA-N 0 0 311.425 4.833 50 0 DJAARN Clc1c2ccccc2sc1CSc1nnc(C2CC2)[nH]1 ZINC000037141687 563906321 /nfs/dbraw/zinc/90/63/21/563906321.db2.gz BUNONRMDTKCKNI-UHFFFAOYSA-N 0 0 321.858 4.843 50 0 DJAARN Clc1ccc(CCNc2ncnc3sccc32)c(Cl)c1 ZINC000037300587 563908556 /nfs/dbraw/zinc/90/85/56/563908556.db2.gz OIZVMOIYHOGRAJ-UHFFFAOYSA-N 0 0 324.236 4.653 50 0 DJAARN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626866 563908749 /nfs/dbraw/zinc/90/87/49/563908749.db2.gz FYYKTWLARSGTOT-OAQYLSRUSA-N 0 0 309.453 4.528 50 0 DJAARN Cc1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c(C)o1 ZINC000170623160 563908764 /nfs/dbraw/zinc/90/87/64/563908764.db2.gz YUCBKSGBJITVAZ-IBGZPJMESA-N 0 0 322.408 4.745 50 0 DJAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC=CCC3)C2)C1(C)C ZINC000170626812 563908796 /nfs/dbraw/zinc/90/87/96/563908796.db2.gz NKRSUMHLEACYAP-HLIPFELVSA-N 0 0 301.474 4.574 50 0 DJAARN CC(C)CCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320410 563909565 /nfs/dbraw/zinc/90/95/65/563909565.db2.gz RVXJIUZHRDCSIH-UHFFFAOYSA-N 0 0 308.731 4.526 50 0 DJAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000008816515 563909621 /nfs/dbraw/zinc/90/96/21/563909621.db2.gz KXIYWPJFGWXKGR-UHFFFAOYSA-N 0 0 323.245 4.843 50 0 DJAARN Cc1ccc2cccc(OCc3cc(-c4cccs4)on3)c2n1 ZINC000014339387 563910626 /nfs/dbraw/zinc/91/06/26/563910626.db2.gz LVQLVBPFXITKGV-UHFFFAOYSA-N 0 0 322.389 4.839 50 0 DJAARN O=C(Nc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000014796015 563912692 /nfs/dbraw/zinc/91/26/92/563912692.db2.gz FLWNQRHZHXKBIR-UHFFFAOYSA-N 0 0 303.361 4.518 50 0 DJAARN Cc1cc(/C=C2\OC(=O)c3ccccc32)cc(C(C)(C)C)c1O ZINC000017104810 563912776 /nfs/dbraw/zinc/91/27/76/563912776.db2.gz XUCQJSOPPDGVTA-BOPFTXTBSA-N 0 0 308.377 4.667 50 0 DJAARN CCCCCC[C@@H]1C[C@H](Cc2c(C)[nH]c3ccccc32)C(=O)O1 ZINC000002097857 563913954 /nfs/dbraw/zinc/91/39/54/563913954.db2.gz NTEPIQBWTWYRGV-HZPDHXFCSA-N 0 0 313.441 4.921 50 0 biogenic DJAARN Cc1ccccc1NC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000000264457 563915537 /nfs/dbraw/zinc/91/55/37/563915537.db2.gz SQWRJUBKKQYLEQ-UHFFFAOYSA-N 0 0 316.404 4.674 50 0 DJAARN O=C(Nc1cccc2c1CCCC2)c1cc(Cl)nc(Cl)c1 ZINC000037373437 563915546 /nfs/dbraw/zinc/91/55/46/563915546.db2.gz NTKYQNYXAMLOGB-UHFFFAOYSA-N 0 0 321.207 4.520 50 0 DJAARN Cc1cccc(C(=O)Nc2ccc(Cl)c3ncsc32)c1 ZINC000007598762 563915644 /nfs/dbraw/zinc/91/56/44/563915644.db2.gz AXILZUINTOYMHE-UHFFFAOYSA-N 0 0 302.786 4.510 50 0 DJAARN CCCCCNc1c(C)c(C)nc2c(-c3ccccc3)cnn21 ZINC000007636227 563917478 /nfs/dbraw/zinc/91/74/78/563917478.db2.gz DTOAASYRUSLAQL-UHFFFAOYSA-N 0 0 308.429 4.615 50 0 DJAARN CCCOc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000007668899 563917852 /nfs/dbraw/zinc/91/78/52/563917852.db2.gz QFNLDXCREFKTPH-UHFFFAOYSA-N 0 0 314.772 4.846 50 0 DJAARN Cc1cc2nc(Oc3ccc(Cl)c(C)c3)c3ccccc3n2n1 ZINC000007735860 563918476 /nfs/dbraw/zinc/91/84/76/563918476.db2.gz GOVUKXWRKAOBKS-UHFFFAOYSA-N 0 0 323.783 4.945 50 0 DJAARN O=C(CC1CCCC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007737500 563918599 /nfs/dbraw/zinc/91/85/99/563918599.db2.gz HAARWVVOJBAMBU-GOSISDBHSA-N 0 0 317.429 4.673 50 0 DJAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCCCCC1 ZINC000007754196 563918758 /nfs/dbraw/zinc/91/87/58/563918758.db2.gz LFPSSIMJNFNOPQ-UHFFFAOYSA-N 0 0 303.789 4.616 50 0 DJAARN COC[C@@H](C)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000007763384 563918981 /nfs/dbraw/zinc/91/89/81/563918981.db2.gz VLGITKCICLVWST-CQSZACIVSA-N 0 0 324.449 4.924 50 0 DJAARN C[C@H](Cc1cccc(F)c1)C(=O)N(C)c1ccc2ccccc2c1 ZINC000066016087 563919210 /nfs/dbraw/zinc/91/92/10/563919210.db2.gz YSLBLPYHEAOIAK-OAHLLOKOSA-N 0 0 321.395 4.821 50 0 DJAARN CC1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1 ZINC000007784646 563919260 /nfs/dbraw/zinc/91/92/60/563919260.db2.gz SIBLWLFWWGBWSL-UHFFFAOYSA-N 0 0 313.466 4.627 50 0 DJAARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OC)[C@@]3(C)CC[C@H]21 ZINC000252629603 563919509 /nfs/dbraw/zinc/91/95/09/563919509.db2.gz UJVDXOJUUSHVJY-UEDWAMCQSA-N 0 0 300.442 4.566 50 0 DJAARN Cc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2C)c1 ZINC000002242054 563920825 /nfs/dbraw/zinc/92/08/25/563920825.db2.gz MKCRLPCUYKVWJR-YRNVUSSQSA-N 0 0 321.449 4.596 50 0 DJAARN COc1cccc2c1CC[C@@H]1[C@@H]2CCC2=C(C)C(=O)CC[C@@]21C ZINC000019865474 563923663 /nfs/dbraw/zinc/92/36/63/563923663.db2.gz PCOHITLOWVXTHW-FPDPHYFHSA-N 0 0 310.437 4.821 50 0 DJAARN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000025541053 563923742 /nfs/dbraw/zinc/92/37/42/563923742.db2.gz OZUIPNMWFGWFOM-LBYDICTLSA-N 0 0 304.474 4.613 50 0 DJAARN Cc1ccn2c(c1)nc(-c1ccc(O)cc1)c2Nc1ccccc1 ZINC000035615720 563923836 /nfs/dbraw/zinc/92/38/36/563923836.db2.gz AKROWHHGTXUIOX-UHFFFAOYSA-N 0 0 315.376 4.759 50 0 DJAARN C[C@@H]1CCc2nc3oc(-c4ccccc4Cl)cc3c(N)c2C1 ZINC000253495508 563926393 /nfs/dbraw/zinc/92/63/93/563926393.db2.gz GVKGGXXIYDLOJT-SNVBAGLBSA-N 0 0 312.800 4.855 50 0 DJAARN C[C@H]1CCc2nc3oc(-c4ccccc4Cl)cc3c(N)c2C1 ZINC000253495507 563926409 /nfs/dbraw/zinc/92/64/09/563926409.db2.gz GVKGGXXIYDLOJT-JTQLQIEISA-N 0 0 312.800 4.855 50 0 DJAARN COc1ccccc1[C@H](C)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000154360660 563926783 /nfs/dbraw/zinc/92/67/83/563926783.db2.gz KENYGLRKZCNWJQ-IFXJQAMLSA-N 0 0 323.440 4.619 50 0 DJAARN CCC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccccc1 ZINC000002365597 563927312 /nfs/dbraw/zinc/92/73/12/563927312.db2.gz MEATWQOIPITWMF-SFHVURJKSA-N 0 0 313.441 4.848 50 0 DJAARN Cc1nn2c(nc(C(C)C)cc2NC(C)C)c1-c1ccccc1 ZINC000002436023 563928566 /nfs/dbraw/zinc/92/85/66/563928566.db2.gz GUOZJHLUHNKPKZ-UHFFFAOYSA-N 0 0 308.429 4.648 50 0 DJAARN CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](OC(=O)Nc1cccc(Cl)c1)C2 ZINC000012856139 563929012 /nfs/dbraw/zinc/92/90/12/563929012.db2.gz PZTRIVAGADMFMO-UAGQMJEPSA-N 0 0 323.820 4.625 50 0 DJAARN CCc1cccc(C)c1NC(=O)CCOc1ccc(C)c(C)c1 ZINC000012984503 563929194 /nfs/dbraw/zinc/92/91/94/563929194.db2.gz LZBOURMZCRCBHL-UHFFFAOYSA-N 0 0 311.425 4.582 50 0 DJAARN CC(C)c1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000013056747 563929332 /nfs/dbraw/zinc/92/93/32/563929332.db2.gz HBLYLOASLMRDTB-UHFFFAOYSA-N 0 0 321.779 4.620 50 0 DJAARN Cn1c(-c2ccc(Cl)cc2)csc1=NCc1ccccc1 ZINC000254396262 563929638 /nfs/dbraw/zinc/92/96/38/563929638.db2.gz MYLBOFUDMSHXAH-UHFFFAOYSA-N 0 0 314.841 4.508 50 0 DJAARN C[C@@H](c1ccccn1)N(C)Cc1cnc(C2CCCCC2)s1 ZINC000096003602 563934708 /nfs/dbraw/zinc/93/47/08/563934708.db2.gz KLOPWUFEJZPBKT-AWEZNQCLSA-N 0 0 315.486 4.779 50 0 DJAARN Cc1cc(C)cc(-n2ccnc2S[C@@H](C)c2nccs2)c1 ZINC000096010386 563934835 /nfs/dbraw/zinc/93/48/35/563934835.db2.gz ZXVFTQAGOJXCNP-ZDUSSCGKSA-N 0 0 315.467 4.799 50 0 DJAARN CC1CCN(C(=O)c2ccc(Oc3ccccc3Cl)o2)CC1 ZINC000096183883 563935859 /nfs/dbraw/zinc/93/58/59/563935859.db2.gz SBJWUPAUNYGPAG-UHFFFAOYSA-N 0 0 319.788 4.597 50 0 DJAARN O=C(/C=C\c1ccccn1)Nc1cccc(Oc2ccccc2)c1 ZINC000096297979 563936118 /nfs/dbraw/zinc/93/61/18/563936118.db2.gz YMYADQJGYVUERM-SEYXRHQNSA-N 0 0 316.360 4.526 50 0 DJAARN CC/C=C(\C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000055803743 563939211 /nfs/dbraw/zinc/93/92/11/563939211.db2.gz UBZKQKJELWKQTM-NTEUORMPSA-N 0 0 322.408 4.542 50 0 DJAARN CCOc1ccc(-c2nc(NC(=O)CC(C)C)sc2C)cc1 ZINC000028250438 563939224 /nfs/dbraw/zinc/93/92/24/563939224.db2.gz WMQDNUCTUQFERD-UHFFFAOYSA-N 0 0 318.442 4.502 50 0 DJAARN COc1ccc(NC(=O)/C=C/c2ccc(CC(C)C)cc2)cc1 ZINC000002570952 563939403 /nfs/dbraw/zinc/93/94/03/563939403.db2.gz UVQBLBLLFZPHRP-MDWZMJQESA-N 0 0 309.409 4.546 50 0 DJAARN CC(C)COc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000002623176 563939595 /nfs/dbraw/zinc/93/95/95/563939595.db2.gz LSKISUGMYBDLOO-UHFFFAOYSA-N 0 0 303.789 4.627 50 0 DJAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)o1 ZINC000002631597 563939721 /nfs/dbraw/zinc/93/97/21/563939721.db2.gz AQXVETHVDBTGHO-IBGZPJMESA-N 0 0 318.376 4.668 50 0 DJAARN CCNC(=S)Nc1ccc(Sc2ccc(C)cc2C)cc1 ZINC000002647347 563940083 /nfs/dbraw/zinc/94/00/83/563940083.db2.gz BAUCYWXCUCEXBU-UHFFFAOYSA-N 0 0 316.495 4.761 50 0 DJAARN CC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 ZINC000002663437 563940204 /nfs/dbraw/zinc/94/02/04/563940204.db2.gz OXCFMRFUUJDXNG-UHFFFAOYSA-N 0 0 318.829 4.660 50 0 DJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)nc1 ZINC000002664270 563940240 /nfs/dbraw/zinc/94/02/40/563940240.db2.gz FTMQFUMDXDMJPF-UHFFFAOYSA-N 0 0 322.795 4.578 50 0 DJAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000002660855 563940287 /nfs/dbraw/zinc/94/02/87/563940287.db2.gz GLEMSUNYLOJYNA-INIZCTEOSA-N 0 0 320.219 4.801 50 0 DJAARN FC(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn21 ZINC000002766602 563940719 /nfs/dbraw/zinc/94/07/19/563940719.db2.gz XQEAREFDADRFLY-UHFFFAOYSA-N 0 0 314.122 4.641 50 0 DJAARN c1nc2sc3c(c2c(NC2CCCCC2)n1)CCCCC3 ZINC000002768952 563940788 /nfs/dbraw/zinc/94/07/88/563940788.db2.gz HNWZPDIMHLRUGY-UHFFFAOYSA-N 0 0 301.459 4.705 50 0 DJAARN c1ccc(-c2ccccc2OCCCSc2ncccn2)cc1 ZINC000002845287 563940902 /nfs/dbraw/zinc/94/09/02/563940902.db2.gz KBYZZBMHENTHPY-UHFFFAOYSA-N 0 0 322.433 4.705 50 0 DJAARN O=C(N/C=C/c1ccccc1)OCc1c(Cl)cccc1Cl ZINC000003105665 563942027 /nfs/dbraw/zinc/94/20/27/563942027.db2.gz TWMIOUIICYZPRY-MDZDMXLPSA-N 0 0 322.191 4.891 50 0 DJAARN O=C(c1ccc(Cl)cc1Cl)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000003165487 563942416 /nfs/dbraw/zinc/94/24/16/563942416.db2.gz VCBYRNHGLCVBDQ-VXGBXAGGSA-N 0 0 312.240 4.646 50 0 DJAARN CC(C)COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1Cl ZINC000030201144 563942522 /nfs/dbraw/zinc/94/25/22/563942522.db2.gz ZZLFDXJUNOHQKY-CYBMUJFWSA-N 0 0 307.821 4.670 50 0 DJAARN Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 ZINC000003210177 563942807 /nfs/dbraw/zinc/94/28/07/563942807.db2.gz SMBUIMBHIVLXDM-UHFFFAOYSA-N 0 0 308.815 4.572 50 0 DJAARN c1ccc2sc(CSc3ncnc4ccccc43)nc2c1 ZINC000003246392 563943170 /nfs/dbraw/zinc/94/31/70/563943170.db2.gz SIHALXNBTICEMM-UHFFFAOYSA-N 0 0 309.419 4.532 50 0 DJAARN Cc1cc(C)cc(C(=O)OCc2csc(-c3ccccc3)n2)c1 ZINC000003272972 563943465 /nfs/dbraw/zinc/94/34/65/563943465.db2.gz VLYDGTJMBAHTQD-UHFFFAOYSA-N 0 0 323.417 4.784 50 0 DJAARN CN(C)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003353707 563943723 /nfs/dbraw/zinc/94/37/23/563943723.db2.gz RPEDUXUUTRDROO-UHFFFAOYSA-N 0 0 316.404 4.672 50 0 DJAARN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1cnc2ccccc21 ZINC000031811865 563944943 /nfs/dbraw/zinc/94/49/43/563944943.db2.gz AVMCHXILOXBZJC-AWEZNQCLSA-N 0 0 321.424 4.534 50 0 DJAARN O=C(C[C@H]1C=CCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008136493 563947058 /nfs/dbraw/zinc/94/70/58/563947058.db2.gz GZAYVFBNMXUVJR-VIFPVBQESA-N 0 0 303.711 4.654 50 0 DJAARN c1ccc(C(NCc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000008319902 563947878 /nfs/dbraw/zinc/94/78/78/563947878.db2.gz RACQLJCVXXGRME-UHFFFAOYSA-N 0 0 314.388 4.707 50 0 DJAARN COc1cccc(-c2nc(-c3ccccc3)c(C)s2)c1OC ZINC000008343365 563948018 /nfs/dbraw/zinc/94/80/18/563948018.db2.gz DEZOVTRVRHOJGP-UHFFFAOYSA-N 0 0 311.406 4.803 50 0 DJAARN CC(C)CCNc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000008344322 563948102 /nfs/dbraw/zinc/94/81/02/563948102.db2.gz NLLUYWFROIYUGH-UHFFFAOYSA-N 0 0 315.417 4.955 50 0 DJAARN O=C(Nc1cc2cc(Cl)ccc2[nH]1)OCc1ccccc1 ZINC000067351032 563949194 /nfs/dbraw/zinc/94/91/94/563949194.db2.gz OXNXBJYNTHIRIQ-UHFFFAOYSA-N 0 0 300.745 4.570 50 0 DJAARN COc1ccc(-c2nnc(S[C@H](C)c3ccccc3)o2)cc1 ZINC000008633474 563949608 /nfs/dbraw/zinc/94/96/08/563949608.db2.gz AEFHNMHSSNHXNG-GFCCVEGCSA-N 0 0 312.394 4.599 50 0 DJAARN Cc1cccc(C)c1NC(=S)N[C@H](C)CCc1ccccc1 ZINC000008687735 563949715 /nfs/dbraw/zinc/94/97/15/563949715.db2.gz KOLGEUCXCXNGKF-MRXNPFEDSA-N 0 0 312.482 4.611 50 0 DJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1CC=CCC1 ZINC000008728051 563950366 /nfs/dbraw/zinc/95/03/66/563950366.db2.gz LXIXMBYGUXHOGM-LLVKDONJSA-N 0 0 318.829 4.758 50 0 DJAARN COc1cccc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 ZINC000008727925 563950368 /nfs/dbraw/zinc/95/03/68/563950368.db2.gz RQPKWWMDJIMPLA-UHFFFAOYSA-N 0 0 321.376 4.527 50 0 DJAARN CCCCN(C(=O)c1cc2nc(C)ccc2o1)c1ccccc1 ZINC000008798632 563950913 /nfs/dbraw/zinc/95/09/13/563950913.db2.gz GAEIWMOTDILRQH-UHFFFAOYSA-N 0 0 308.381 4.583 50 0 DJAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000008917299 563951411 /nfs/dbraw/zinc/95/14/11/563951411.db2.gz ARZPMDDUPJPCIM-UHFFFAOYSA-N 0 0 323.367 4.685 50 0 DJAARN COc1ccc(C)cc1NC(=O)c1ccccc1SC(F)F ZINC000008924667 563951506 /nfs/dbraw/zinc/95/15/06/563951506.db2.gz IMJLGQWILFFXJZ-UHFFFAOYSA-N 0 0 323.364 4.571 50 0 DJAARN CCC(CC)[C@@H](NC(=O)Cc1ccccc1F)c1cccs1 ZINC000040157015 563951636 /nfs/dbraw/zinc/95/16/36/563951636.db2.gz HCZHMWPVSMCRGK-GOSISDBHSA-N 0 0 319.445 4.723 50 0 DJAARN CC(C)CC[C@]1(CC(=O)N2CCCCC2)CCO[C@@H](C(C)C)C1 ZINC000009048851 563952043 /nfs/dbraw/zinc/95/20/43/563952043.db2.gz RHKIVGUDTGEVON-QUCCMNQESA-N 0 0 323.521 4.647 50 0 DJAARN C[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1cccc(F)c1 ZINC000069587427 563953708 /nfs/dbraw/zinc/95/37/08/563953708.db2.gz QBVJMPMYOUMAEF-OAHLLOKOSA-N 0 0 319.379 4.984 50 0 DJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CC=CCC1 ZINC000009217785 563954156 /nfs/dbraw/zinc/95/41/56/563954156.db2.gz AVTMTNYAXUTDRY-CQSZACIVSA-N 0 0 315.800 4.573 50 0 DJAARN Cc1ccc(Cl)cc1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000069834742 563954816 /nfs/dbraw/zinc/95/48/16/563954816.db2.gz LXHBLGQTAKHRML-UHFFFAOYSA-N 0 0 303.833 4.659 50 0 DJAARN C[C@@H](c1ccccc1F)N(C(=S)NC1CCCCC1)C1CC1 ZINC000070007608 563955557 /nfs/dbraw/zinc/95/55/57/563955557.db2.gz UCLZLYOMOGPOLY-ZDUSSCGKSA-N 0 0 320.477 4.558 50 0 DJAARN C[C@@H](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000070040773 563955780 /nfs/dbraw/zinc/95/57/80/563955780.db2.gz SXBLAEJDSFMTSR-KKSFZXQISA-N 0 0 319.448 4.597 50 0 DJAARN CC(C)(C)c1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000009479122 563956117 /nfs/dbraw/zinc/95/61/17/563956117.db2.gz PGUNQKUWVQYCGZ-UHFFFAOYSA-N 0 0 311.429 4.548 50 0 DJAARN CCc1noc(C)c1C(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000009496214 563956326 /nfs/dbraw/zinc/95/63/26/563956326.db2.gz CLKPVQKMGKRONR-UHFFFAOYSA-N 0 0 320.820 4.576 50 0 DJAARN Cn1c2ccccc2c(-c2csc(N)n2)c1-c1ccccc1 ZINC000009751178 563957842 /nfs/dbraw/zinc/95/78/42/563957842.db2.gz WSVGAFVVROJXQG-UHFFFAOYSA-N 0 0 305.406 4.551 50 0 DJAARN C[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000010208310 563958343 /nfs/dbraw/zinc/95/83/43/563958343.db2.gz NGOGMJGDHMZYTK-KGLIPLIRSA-N 0 0 308.381 4.554 50 0 DJAARN CC[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000010402354 563958852 /nfs/dbraw/zinc/95/88/52/563958852.db2.gz COAOKYZKMJSRTI-HNNXBMFYSA-N 0 0 306.768 4.752 50 0 DJAARN CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc(Cl)cc1 ZINC000010402375 563958876 /nfs/dbraw/zinc/95/88/76/563958876.db2.gz XBWCHZGEMNREKR-CQSZACIVSA-N 0 0 318.804 4.621 50 0 DJAARN CC(C)c1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1 ZINC000078578946 563961155 /nfs/dbraw/zinc/96/11/55/563961155.db2.gz OXRFIMBGISEWDN-UHFFFAOYSA-N 0 0 315.844 4.826 50 0 DJAARN CCCNC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000013625924 568412479 /nfs/dbraw/zinc/41/24/79/568412479.db2.gz WLJDJQVURHOLPF-NSHDSACASA-N 0 0 314.816 4.604 50 0 DJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(C)C)cc3)ccc12 ZINC000000012098 568413358 /nfs/dbraw/zinc/41/33/58/568413358.db2.gz BPAWKVPUGTUOCV-UHFFFAOYSA-N 0 0 308.377 4.804 50 0 DJAARN O=C1c2ccccc2CC[C@H]1CSc1ccc(Cl)cc1 ZINC000000409547 568413719 /nfs/dbraw/zinc/41/37/19/568413719.db2.gz WMADNXJFUJXZJD-ZDUSSCGKSA-N 0 0 302.826 4.877 50 0 DJAARN CC[C@H](C)c1ccc(NCCC(=O)c2ccc(OC)cc2)cc1 ZINC000000409536 568413770 /nfs/dbraw/zinc/41/37/70/568413770.db2.gz XYEAJLUHFJSWED-HNNXBMFYSA-N 0 0 311.425 4.894 50 0 DJAARN O=C(Nc1cccc2ccccc21)N1N=CC[C@H]1c1ccccc1 ZINC000000520170 568414608 /nfs/dbraw/zinc/41/46/08/568414608.db2.gz JASHXIGPEHHYSO-IBGZPJMESA-N 0 0 315.376 4.805 50 0 DJAARN O=C(Nc1cccc2ccccc21)N1N=CC[C@@H]1c1ccccc1 ZINC000000520169 568414633 /nfs/dbraw/zinc/41/46/33/568414633.db2.gz JASHXIGPEHHYSO-LJQANCHMSA-N 0 0 315.376 4.805 50 0 DJAARN CC[C@@H](C)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000012752628 568417741 /nfs/dbraw/zinc/41/77/41/568417741.db2.gz BDPJRACRHCWSAS-DNVCBOLYSA-N 0 0 311.425 4.772 50 0 DJAARN Brc1cccc(-c2noc(CC3CCCCC3)n2)c1 ZINC000001061206 568420426 /nfs/dbraw/zinc/42/04/26/568420426.db2.gz NMXDSGVRALKOTM-UHFFFAOYSA-N 0 0 321.218 4.622 50 0 DJAARN CC(C)Oc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000001286897 568420542 /nfs/dbraw/zinc/42/05/42/568420542.db2.gz OQHNKGQBRDWCIH-UHFFFAOYSA-N 0 0 305.381 4.674 50 0 DJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 ZINC000000290777 568421511 /nfs/dbraw/zinc/42/15/11/568421511.db2.gz PYMLKFNUDPPDBZ-UHFFFAOYSA-N 0 0 306.192 4.586 50 0 DJAARN