smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cccc2c1OCO2 ZINC000159562429 361738288 /nfs/dbraw/zinc/73/82/88/361738288.db2.gz WLCTWUHNLXOBBX-ZYHUDNBSSA-N 0 3 276.336 1.501 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 ZINC000159731399 361823976 /nfs/dbraw/zinc/82/39/76/361823976.db2.gz HKZSKYADYAGMIE-CQSZACIVSA-N 0 3 293.415 1.256 20 70 CDIDHN CCC[C@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161192932 361911022 /nfs/dbraw/zinc/91/10/22/361911022.db2.gz MRUMDVZKBRKNEF-QMMMGPOBSA-N 0 3 264.251 1.511 20 70 CDIDHN C[C@H](CNC(=O)[C@@]1(F)CCNC1)Oc1ccccc1F ZINC000161164581 358789499 /nfs/dbraw/zinc/78/94/99/358789499.db2.gz QQENDWVNYQJGQN-QMTHXVAHSA-N 0 3 284.306 1.411 20 70 CDIDHN CCc1ncnc(NCCN(C)CCOC)c1F ZINC000218002310 359035302 /nfs/dbraw/zinc/03/53/02/359035302.db2.gz IPGPFJPSTVIOFY-UHFFFAOYSA-N 0 3 256.325 1.168 20 70 CDIDHN COCCNCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000159431012 361696938 /nfs/dbraw/zinc/69/69/38/361696938.db2.gz VBRDXWOSGFIGNG-WFASDCNBSA-N 0 3 294.370 1.971 20 70 CDIDHN CCCn1nc(C)c(CN2CCC(CC(N)=O)CC2)c1C ZINC000159727637 364257399 /nfs/dbraw/zinc/25/73/99/364257399.db2.gz UPHGOYKOKFKTNG-UHFFFAOYSA-N 0 3 292.427 1.997 20 70 CDIDHN Cc1ccc(C[C@@H](C)NC(=O)CNC[C@@H]2CCCO2)s1 ZINC000159793604 364265531 /nfs/dbraw/zinc/26/55/31/364265531.db2.gz KVFCFQXOWPYGHC-YPMHNXCESA-N 0 3 296.436 1.872 20 70 CDIDHN Cc1cc(F)cc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160291892 364330449 /nfs/dbraw/zinc/33/04/49/364330449.db2.gz ZJDFWCXEWLATEB-OAHLLOKOSA-N 0 3 294.370 1.711 20 70 CDIDHN O=C(Cc1cccs1)NC[C@@H](O)CN1CCCCC1 ZINC000160654609 364390917 /nfs/dbraw/zinc/39/09/17/364390917.db2.gz COFYLBFQOOGYQF-GFCCVEGCSA-N 0 3 282.409 1.254 20 70 CDIDHN COc1ccc([C@@H](C)C(=O)N2CCCNCC2)cc1 ZINC000160860651 364421242 /nfs/dbraw/zinc/42/12/42/364421242.db2.gz MDBAFYFYFSLIDN-GFCCVEGCSA-N 0 3 262.353 1.621 20 70 CDIDHN CC[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)N1CCCC1=O ZINC000161247047 367807363 /nfs/dbraw/zinc/80/73/63/367807363.db2.gz WZGWLQRHXQJCLK-MELADBBJSA-N 0 3 295.427 1.232 20 70 CDIDHN CC(C)(C)c1ncsc1C(=O)N1CCCNCC1 ZINC000160844396 390981577 /nfs/dbraw/zinc/98/15/77/390981577.db2.gz GZTVVVXKYZOLTP-UHFFFAOYSA-N 0 3 267.398 1.876 20 70 CDIDHN C[C@@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161096631 278304451 /nfs/dbraw/zinc/30/44/51/278304451.db2.gz JFNJVOBFRSCYKY-RWEMILLDSA-N 0 3 250.317 1.913 20 70 CDIDHN CCCn1nccc1CNCCCC(=O)NC1CC1 ZINC000160174670 482787109 /nfs/dbraw/zinc/78/71/09/482787109.db2.gz PPHDYMVYUUUNES-UHFFFAOYSA-N 0 3 264.373 1.442 20 70 CDIDHN COC[C@H](NC(=O)[C@H](C)N)c1cccc(C(F)(F)F)c1 ZINC000161143883 482864770 /nfs/dbraw/zinc/86/47/70/482864770.db2.gz VSZRJYWMTMKOJR-KWQFWETISA-N 0 3 290.285 1.856 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)C1=CCCC1 ZINC000159906349 534535489 /nfs/dbraw/zinc/53/54/89/534535489.db2.gz BUHLUTXQVDFANU-CYBMUJFWSA-N 0 3 252.358 1.060 20 70 CDIDHN CC(C)N(C[C@@H](C)O)C(=O)NC1CCN(C2CC2)CC1 ZINC000159728848 361814251 /nfs/dbraw/zinc/81/42/51/361814251.db2.gz RUYSPXBIEMZJKO-GFCCVEGCSA-N 0 3 283.416 1.414 20 70 CDIDHN CCN1CCC(N(C)CCCCS(C)(=O)=O)CC1 ZINC000161330761 539117490 /nfs/dbraw/zinc/11/74/90/539117490.db2.gz WMSDTQBHYMMSJK-UHFFFAOYSA-N 0 3 276.446 1.227 20 70 CDIDHN C[C@H](C(=O)NC(C)(C)C)N1CCN(c2ccncc2)CC1 ZINC000161379291 539117586 /nfs/dbraw/zinc/11/75/86/539117586.db2.gz JXUCULJSLHTGJY-CYBMUJFWSA-N 0 3 290.411 1.507 20 70 CDIDHN Brc1cnccc1NC[C@H]1CNCCO1 ZINC000159925840 362380387 /nfs/dbraw/zinc/38/03/87/362380387.db2.gz RGUMCLCNNZNPTN-MRVPVSSYSA-N 0 3 272.146 1.244 20 70 CDIDHN COc1cc(NC(=O)C[C@H]2CNCCO2)ccc1F ZINC000160340834 362414242 /nfs/dbraw/zinc/41/42/42/362414242.db2.gz WTXGRDGHBFFTCQ-JTQLQIEISA-N 0 3 268.288 1.151 20 70 CDIDHN C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160640458 346184351 /nfs/dbraw/zinc/18/43/51/346184351.db2.gz IBVMNXRMQAOROE-TZMCWYRMSA-N 0 3 265.401 1.912 20 70 CDIDHN Cc1cccc(C(=O)NCCN(C)C2CC2)c1F ZINC000161491905 188531236 /nfs/dbraw/zinc/53/12/36/188531236.db2.gz VDPGBBSWGJHVJM-UHFFFAOYSA-N 0 3 250.317 1.958 20 70 CDIDHN CCCC[C@@H](COC)NC(=O)[C@H](N)CCSC ZINC000161167125 358789658 /nfs/dbraw/zinc/78/96/58/358789658.db2.gz ZFWKQBPCVXNBQY-WDEREUQCSA-N 0 3 262.419 1.388 20 70 CDIDHN COCc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159761363 364262296 /nfs/dbraw/zinc/26/22/96/364262296.db2.gz DPUUYQMPRWCDCN-UHFFFAOYSA-N 0 3 276.380 1.920 20 70 CDIDHN CNCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159802228 364266805 /nfs/dbraw/zinc/26/68/05/364266805.db2.gz ALSJLFAIXAMHBA-CMPLNLGQSA-N 0 3 250.317 1.750 20 70 CDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCO ZINC000159958840 364286694 /nfs/dbraw/zinc/28/66/94/364286694.db2.gz QAZNNEUKPPNAFN-ZFWWWQNUSA-N 0 3 291.395 1.189 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000160090511 364304283 /nfs/dbraw/zinc/30/42/83/364304283.db2.gz FLMWBWUFVDVWMB-ZDUSSCGKSA-N 0 3 298.770 1.483 20 70 CDIDHN C[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160382077 364344208 /nfs/dbraw/zinc/34/42/08/364344208.db2.gz TZNHVOIRNGKQAR-CMPLNLGQSA-N 0 3 250.317 1.564 20 70 CDIDHN CSCC[C@H](N)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000161389438 364488376 /nfs/dbraw/zinc/48/83/76/364488376.db2.gz NMHDLGOQCWZYRY-ZDUSSCGKSA-N 0 3 295.408 1.688 20 70 CDIDHN COCCN(CCNCc1cc[nH]c1)C(=O)OC(C)(C)C ZINC000218142801 367261293 /nfs/dbraw/zinc/26/12/93/367261293.db2.gz LZSNHENTOZBIPK-UHFFFAOYSA-N 0 3 297.399 1.988 20 70 CDIDHN CN1CCC[C@@H]1CNC(=O)N1CCc2cccc(F)c2C1 ZINC000159762672 277062775 /nfs/dbraw/zinc/06/27/75/277062775.db2.gz FFCOMWWJWJFRMO-CYBMUJFWSA-N 0 3 291.370 1.988 20 70 CDIDHN O=C(CCc1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160699159 534468093 /nfs/dbraw/zinc/46/80/93/534468093.db2.gz KYHXKYCEMSRJDR-MRXNPFEDSA-N 0 3 290.407 1.582 20 70 CDIDHN O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1CCCCN1 ZINC000161190734 361915822 /nfs/dbraw/zinc/91/58/22/361915822.db2.gz QRFRYTAHTBNMIH-SECBINFHSA-N 0 3 276.262 1.526 20 70 CDIDHN Cc1cc(C)n(CCCNCc2cn(C)nc2C)n1 ZINC000159599970 362347262 /nfs/dbraw/zinc/34/72/62/362347262.db2.gz ASWZQVNFKQLRMJ-UHFFFAOYSA-N 0 3 261.373 1.722 20 70 CDIDHN O=C1[C@H](N2CC[C@]3(O)CCCC[C@H]3C2)CCN1C1CC1 ZINC000160488247 362432570 /nfs/dbraw/zinc/43/25/70/362432570.db2.gz PNHNFQFPSLANOW-JGGQBBKZSA-N 0 3 278.396 1.377 20 70 CDIDHN CN1CC[C@@H]2CN(C(=O)NCc3cccs3)C[C@@H]21 ZINC000216847435 344828543 /nfs/dbraw/zinc/82/85/43/344828543.db2.gz KTYAMXMTLSIMQA-PWSUYJOCSA-N 0 3 265.382 1.594 20 70 CDIDHN CN1CCC(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000218094086 344859091 /nfs/dbraw/zinc/85/90/91/344859091.db2.gz WVMLRQYVLMNZGX-CQSZACIVSA-N 0 3 288.395 1.118 20 70 CDIDHN CCCN1CCCN(C(=O)CCCCOC)CC1 ZINC000160375772 358602713 /nfs/dbraw/zinc/60/27/13/358602713.db2.gz QCYKPZJRAKENGA-UHFFFAOYSA-N 0 3 256.390 1.747 20 70 CDIDHN CC[C@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000159494207 358742766 /nfs/dbraw/zinc/74/27/66/358742766.db2.gz FRHRWWKFORIBGP-UFBFGSQYSA-N 0 3 256.296 1.922 20 70 CDIDHN COCCN(C)CCNC(=O)c1cncc(OC(C)C)c1 ZINC000161172621 358789982 /nfs/dbraw/zinc/78/99/82/358789982.db2.gz ZFMRTUFTURAYIE-UHFFFAOYSA-N 0 3 295.383 1.177 20 70 CDIDHN C[C@H](COc1ccccc1)C(=O)N1CCCNCC1 ZINC000160847551 237185141 /nfs/dbraw/zinc/18/51/41/237185141.db2.gz PDXVDYGBNMOQRT-CYBMUJFWSA-N 0 3 262.353 1.523 20 70 CDIDHN C[C@H](NCCCN1CCCC1=O)c1cncc(F)c1 ZINC000159553193 364233149 /nfs/dbraw/zinc/23/31/49/364233149.db2.gz BEGCJMWKWMDMJD-NSHDSACASA-N 0 3 265.332 1.884 20 70 CDIDHN NCC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159657947 364247700 /nfs/dbraw/zinc/24/77/00/364247700.db2.gz NCRBGORYUCOPBV-UHFFFAOYSA-N 0 3 262.353 1.401 20 70 CDIDHN O=C(NCCN1CCCCC1)[C@H](O)c1ccccc1Cl ZINC000159536918 364228062 /nfs/dbraw/zinc/22/80/62/364228062.db2.gz IWORCUBRNCUDNM-CQSZACIVSA-N 0 3 296.798 1.976 20 70 CDIDHN CSCC[C@H](N)C(=O)NCCc1ccc(Cl)nc1 ZINC000160526847 364367463 /nfs/dbraw/zinc/36/74/63/364367463.db2.gz OQLHDFPLNFBHHI-JTQLQIEISA-N 0 3 287.816 1.474 20 70 CDIDHN CCC[C@H](N)C(=O)NCCc1ccc(Cl)nc1 ZINC000160529537 364367519 /nfs/dbraw/zinc/36/75/19/364367519.db2.gz ZCKGBCOCEIBIOQ-JTQLQIEISA-N 0 3 255.749 1.521 20 70 CDIDHN CCC[C@@H](N)C(=O)NCCc1ccc(Cl)nc1 ZINC000160529678 364367957 /nfs/dbraw/zinc/36/79/57/364367957.db2.gz ZCKGBCOCEIBIOQ-SNVBAGLBSA-N 0 3 255.749 1.521 20 70 CDIDHN COC[C@H](Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000161313155 364476063 /nfs/dbraw/zinc/47/60/63/364476063.db2.gz MQYNBJCKVYFDKO-KGLIPLIRSA-N 0 3 283.393 1.021 20 70 CDIDHN Cc1n[nH]c(C)c1CNCCNC(=O)OC(C)(C)C ZINC000218184453 367261103 /nfs/dbraw/zinc/26/11/03/367261103.db2.gz CNGDRXBHXOJDLP-UHFFFAOYSA-N 0 3 268.361 1.641 20 70 CDIDHN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159747966 292768023 /nfs/dbraw/zinc/76/80/23/292768023.db2.gz QAKMIYBPKRHCHK-SMDDNHRTSA-N 0 3 277.368 1.403 20 70 CDIDHN CC(C)NC(=O)CNC1CCN(c2ccccc2)CC1 ZINC000160963381 519708128 /nfs/dbraw/zinc/70/81/28/519708128.db2.gz HAGFMXOBHHYFTE-UHFFFAOYSA-N 0 3 275.396 1.770 20 70 CDIDHN CCCCO[C@@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160586622 520815829 /nfs/dbraw/zinc/81/58/29/520815829.db2.gz CVFQOENZLMQRMW-ZDUSSCGKSA-N 0 3 286.416 1.012 20 70 CDIDHN CN(CCN1CCCC1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160367048 522826224 /nfs/dbraw/zinc/82/62/24/522826224.db2.gz CFEVKQLNNQJJED-HUUCEWRRSA-N 0 3 295.427 1.681 20 70 CDIDHN C[C@H]1CCN(CCN(C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000161399719 524286839 /nfs/dbraw/zinc/28/68/39/524286839.db2.gz VAFKTWHKRVALFR-BBRMVZONSA-N 0 3 280.387 1.960 20 70 CDIDHN O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC(O)C1 ZINC000161473593 526537917 /nfs/dbraw/zinc/53/79/17/526537917.db2.gz HWMFWSGPLGXESM-ZDUSSCGKSA-N 0 3 292.354 1.241 20 70 CDIDHN O=C(CCc1ccsc1)NCC1CCN(CCO)CC1 ZINC000160678789 526634433 /nfs/dbraw/zinc/63/44/33/526634433.db2.gz SRCWRQURMPGQBZ-UHFFFAOYSA-N 0 3 296.436 1.501 20 70 CDIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cccc2c1OCO2 ZINC000159562567 361738363 /nfs/dbraw/zinc/73/83/63/361738363.db2.gz WLCTWUHNLXOBBX-CMPLNLGQSA-N 0 3 276.336 1.501 20 70 CDIDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOCC2CC2)C[C@H](C)O1 ZINC000159635369 361755379 /nfs/dbraw/zinc/75/53/79/361755379.db2.gz LYMGYAVNSXCRIW-UXLLHSPISA-N 0 3 296.455 1.987 20 70 CDIDHN C[C@@H](CNC(=O)CCc1ccccc1N)N1CCCC1 ZINC000161461879 342073050 /nfs/dbraw/zinc/07/30/50/342073050.db2.gz HOQVOJUFVFITJF-ZDUSSCGKSA-N 0 3 275.396 1.802 20 70 CDIDHN COC[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160666073 346190662 /nfs/dbraw/zinc/19/06/62/346190662.db2.gz HKTXQJANJGODLL-LSDHHAIUSA-N 0 3 295.427 1.539 20 70 CDIDHN CCN1CCC(NC(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000160339225 363823528 /nfs/dbraw/zinc/82/35/28/363823528.db2.gz LBUVAEUAUDYKJR-LBPRGKRZSA-N 0 3 268.401 1.650 20 70 CDIDHN CN(CC(C)(C)C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000160316206 364335081 /nfs/dbraw/zinc/33/50/81/364335081.db2.gz KKVIMIUVBBSEIB-CYBMUJFWSA-N 0 3 278.400 1.893 20 70 CDIDHN CCCC(=O)N[C@H]1CCCN(C[C@](C)(O)CC)C1 ZINC000160817889 377119861 /nfs/dbraw/zinc/11/98/61/377119861.db2.gz MXQMNDABINHDPR-GXTWGEPZSA-N 0 3 256.390 1.528 20 70 CDIDHN CN(CC1CCN(C)CC1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000161407780 377618247 /nfs/dbraw/zinc/61/82/47/377618247.db2.gz XWGQKLSKZRRCTA-CQSZACIVSA-N 0 3 290.411 1.246 20 70 CDIDHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)C)C12CCCC2 ZINC000161114625 286271005 /nfs/dbraw/zinc/27/10/05/286271005.db2.gz CNYITJCEMWUEMP-UPJWGTAASA-N 0 3 268.401 1.824 20 70 CDIDHN CCOCCC1(C(=O)NC2CCN(C)CC2)CCC1 ZINC000160691277 261222613 /nfs/dbraw/zinc/22/26/13/261222613.db2.gz UTHVGBDGOJFUOK-UHFFFAOYSA-N 0 3 268.401 1.794 20 70 CDIDHN CCCn1nccc1CNCCCOC[C@@H]1CCCO1 ZINC000159986443 482311982 /nfs/dbraw/zinc/31/19/82/482311982.db2.gz NFWMURQVGXVJPH-HNNXBMFYSA-N 0 3 281.400 1.968 20 70 CDIDHN CN(C[C@H]1CCCN1C)C(=O)NCC(F)(F)F ZINC000160668490 523118089 /nfs/dbraw/zinc/11/80/89/523118089.db2.gz IEOZRJJIWLWSSN-MRVPVSSYSA-N 0 3 253.268 1.284 20 70 CDIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000160843094 525388195 /nfs/dbraw/zinc/38/81/95/525388195.db2.gz IUOMYHDRTLHHKL-GJZGRUSLSA-N 0 3 276.380 1.878 20 70 CDIDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc2[nH]cnc21 ZINC000159461803 539114160 /nfs/dbraw/zinc/11/41/60/539114160.db2.gz UMBXNDWFXFYJNN-LBPRGKRZSA-N 0 3 284.363 1.777 20 70 CDIDHN CC(C)[C@@H](C)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161325482 539117506 /nfs/dbraw/zinc/11/75/06/539117506.db2.gz VFAKDAJILRFXNB-CQSZACIVSA-N 0 3 290.411 1.364 20 70 CDIDHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CNC)ccc2NC1=O ZINC000161371924 362801269 /nfs/dbraw/zinc/80/12/69/362801269.db2.gz LHHOCDBMIKJSCL-SKDRFNHKSA-N 0 3 291.351 1.193 20 70 CDIDHN C[C@@H](CNCc1cncc(Br)c1)N(C)C ZINC000160570367 188481020 /nfs/dbraw/zinc/48/10/20/188481020.db2.gz VNBFPEHWXUJJEV-VIFPVBQESA-N 0 3 272.190 1.884 20 70 CDIDHN CCC[C@H](N)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160963638 360215358 /nfs/dbraw/zinc/21/53/58/360215358.db2.gz DDCMSENIYQJGKG-GJZGRUSLSA-N 0 3 294.395 1.751 20 70 CDIDHN CN(C)Cc1ccc(C(=O)N2CCSCC2)cc1 ZINC000160387832 363846831 /nfs/dbraw/zinc/84/68/31/363846831.db2.gz AOQDNDPSTWZSIH-UHFFFAOYSA-N 0 3 264.394 1.937 20 70 CDIDHN CCn1cc([C@@H](C)NCCCN2CCCC2=O)cn1 ZINC000159469456 364213687 /nfs/dbraw/zinc/21/36/87/364213687.db2.gz YIIBDXUBGBYDOM-GFCCVEGCSA-N 0 3 264.373 1.566 20 70 CDIDHN CC[C@H](N)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161453321 364494753 /nfs/dbraw/zinc/49/47/53/364494753.db2.gz XHTBXJXVKPXPPS-OCCSQVGLSA-N 0 3 292.354 1.984 20 70 CDIDHN CCn1cnnc1[C@@H]1CCCN(CCN2CCCC2=O)C1 ZINC000161267797 377200308 /nfs/dbraw/zinc/20/03/08/377200308.db2.gz MISNQDFLBUBHNN-CYBMUJFWSA-N 0 3 291.399 1.100 20 70 CDIDHN CC[C@H](C)[C@@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000160355080 391507850 /nfs/dbraw/zinc/50/78/50/391507850.db2.gz RCISVOYNUALGMK-WCQYABFASA-N 0 3 256.390 1.635 20 70 CDIDHN CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCCCC1 ZINC000159919770 280167124 /nfs/dbraw/zinc/16/71/24/280167124.db2.gz BEERYHVUJFYBLZ-OWCLPIDISA-N 0 3 293.455 1.850 20 70 CDIDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ncccc1F ZINC000159615299 292763148 /nfs/dbraw/zinc/76/31/48/292763148.db2.gz AIIJYIPXIHXSIM-GFCCVEGCSA-N 0 3 294.374 1.894 20 70 CDIDHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCCN1CCCCC1 ZINC000161358673 290196993 /nfs/dbraw/zinc/19/69/93/290196993.db2.gz VXNVRDRDTQEUJC-ZIAGYGMSSA-N 0 3 290.473 1.616 20 70 CDIDHN COc1cccc(O[C@@H](C)CNC(=O)[C@H](N)CC(C)C)c1 ZINC000161127314 482863420 /nfs/dbraw/zinc/86/34/20/482863420.db2.gz GVQOZBHQUWIXED-SWLSCSKDSA-N 0 3 294.395 1.952 20 70 CDIDHN CCCN1CCCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000160400809 519848853 /nfs/dbraw/zinc/84/88/53/519848853.db2.gz PAMIGOGYVBTNJH-AWEZNQCLSA-N 0 3 268.401 1.890 20 70 CDIDHN COCCN(C)CCCNC(=O)N1CCC2(CCC2)C1 ZINC000160773446 523577274 /nfs/dbraw/zinc/57/72/74/523577274.db2.gz AMHREUJSNARHGL-UHFFFAOYSA-N 0 3 283.416 1.540 20 70 CDIDHN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@]1(F)CCNC1 ZINC000159703045 361810264 /nfs/dbraw/zinc/81/02/64/361810264.db2.gz JVTIPEGAOXMMQZ-SECBINFHSA-N 0 3 280.225 1.086 20 70 CDIDHN CN(Cc1cnn(C)c1)C(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159730339 342368434 /nfs/dbraw/zinc/36/84/34/342368434.db2.gz UWGVCDKTCRKRJJ-GJZGRUSLSA-N 0 3 290.411 1.643 20 70 CDIDHN CCCNC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159645848 342367819 /nfs/dbraw/zinc/36/78/19/342367819.db2.gz QKNKFCRBGGIVLK-RYUDHWBXSA-N 0 3 267.373 1.487 20 70 CDIDHN CCn1nc(CNC[C@@]2(OC)CCOC2)c2ccccc21 ZINC000160326202 362413309 /nfs/dbraw/zinc/41/33/09/362413309.db2.gz MEDKHXMDIAPRHU-INIZCTEOSA-N 0 3 289.379 1.951 20 70 CDIDHN O[C@H](CNCc1cncc(Br)c1)C1CC1 ZINC000160576613 362448304 /nfs/dbraw/zinc/44/83/04/362448304.db2.gz KUJVCVMIKABFRX-LLVKDONJSA-N 0 3 271.158 1.705 20 70 CDIDHN CC[C@H]1CCCCN1CCNC(=O)N[C@@H](C)CCO ZINC000160440938 346137281 /nfs/dbraw/zinc/13/72/81/346137281.db2.gz GUOMNSCZIPUMQR-STQMWFEESA-N 0 3 271.405 1.321 20 70 CDIDHN COCC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160643758 346187470 /nfs/dbraw/zinc/18/74/70/346187470.db2.gz LGJMWELQXPWHFI-HNNXBMFYSA-N 0 3 295.427 1.539 20 70 CDIDHN CCN(CC1CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160725436 346250798 /nfs/dbraw/zinc/25/07/98/346250798.db2.gz BQIZZLXIKCXFQR-CQSZACIVSA-N 0 3 265.401 1.912 20 70 CDIDHN CCN1CCC[C@H]1CNC(=O)C1(CCOC)CCC1 ZINC000159573986 362928046 /nfs/dbraw/zinc/92/80/46/362928046.db2.gz AIFMWHDDWNXXDG-ZDUSSCGKSA-N 0 3 268.401 1.794 20 70 CDIDHN COCCN(C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000159848389 363377436 /nfs/dbraw/zinc/37/74/36/363377436.db2.gz UVPNPNNJOVEZOG-UHFFFAOYSA-N 0 3 270.417 1.897 20 70 CDIDHN O=C(CNC(=O)CC1CCCC1)NCCN1CCCCC1 ZINC000160246632 363792984 /nfs/dbraw/zinc/79/29/84/363792984.db2.gz QATNTCPMNMHTNC-UHFFFAOYSA-N 0 3 295.427 1.285 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)c2cccnc2)CC1 ZINC000159547887 364231694 /nfs/dbraw/zinc/23/16/94/364231694.db2.gz AUSQFNANKASJQV-ZDUSSCGKSA-N 0 3 276.384 1.880 20 70 CDIDHN CC1CCN(CCNC(=O)[C@H](O)c2ccccc2)CC1 ZINC000159519277 364226303 /nfs/dbraw/zinc/22/63/03/364226303.db2.gz QPHYSUOOAUUNBU-OAHLLOKOSA-N 0 3 276.380 1.568 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(Cl)c[nH]1 ZINC000160449557 364354132 /nfs/dbraw/zinc/35/41/32/364354132.db2.gz ZOQNDHZESLRKTL-LLVKDONJSA-N 0 3 285.775 1.245 20 70 CDIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cscn1 ZINC000160451128 364354591 /nfs/dbraw/zinc/35/45/91/364354591.db2.gz FJBJAOIRMSYJIK-LLVKDONJSA-N 0 3 267.398 1.993 20 70 CDIDHN COC(=O)N(C)Cc1ccc(NC(=O)[C@@H](N)C(C)C)cc1 ZINC000160951368 364432634 /nfs/dbraw/zinc/43/26/34/364432634.db2.gz AUBFHVUJAYXRRN-ZDUSSCGKSA-N 0 3 293.367 1.807 20 70 CDIDHN Cc1c(/C=C/C(=O)N[C@@H](CC(C)C)CN(C)C)cnn1C ZINC000161175868 364459784 /nfs/dbraw/zinc/45/97/84/364459784.db2.gz IWDASIIIDYSVFK-KIUWMYQTSA-N 0 3 292.427 1.834 20 70 CDIDHN N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccsc1 ZINC000161500070 375642988 /nfs/dbraw/zinc/64/29/88/375642988.db2.gz SOANYCCVZGRRFJ-UONOGXRCSA-N 0 3 290.388 1.468 20 70 CDIDHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000160221558 377041636 /nfs/dbraw/zinc/04/16/36/377041636.db2.gz OSAQCAUXNFOBTQ-MWODSPESSA-N 0 3 267.373 1.712 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cnc(C)nc1C)CC2 ZINC000160405937 279141442 /nfs/dbraw/zinc/14/14/42/279141442.db2.gz RFBPGUBUTABSFS-MFKMUULPSA-N 0 3 286.383 1.659 20 70 CDIDHN CC(C)[C@@H](C(=O)N1CC[C@@]2(CCOC2)C1)N(C)C ZINC000159432487 279775518 /nfs/dbraw/zinc/77/55/18/279775518.db2.gz DPNZWRJEYXJJBR-GXTWGEPZSA-N 0 3 254.374 1.212 20 70 CDIDHN CC[C@@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C ZINC000161075789 292799212 /nfs/dbraw/zinc/79/92/12/292799212.db2.gz ZENHGCSSHGFPGC-NEPJUHHUSA-N 0 3 299.415 1.452 20 70 CDIDHN CCCn1nccc1CNCC(C)(C)N1CCOCC1 ZINC000159974788 482774146 /nfs/dbraw/zinc/77/41/46/482774146.db2.gz QZCVGWZGHQBBND-UHFFFAOYSA-N 0 3 280.416 1.494 20 70 CDIDHN CC(C)(C(N)=O)c1ccc(NC(=O)CNCC2CC2)cc1 ZINC000160381379 527542357 /nfs/dbraw/zinc/54/23/57/527542357.db2.gz BJGLIDRRGCUHRY-UHFFFAOYSA-N 0 3 289.379 1.388 20 70 CDIDHN CC(C)[C@H](N)C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000161064182 361825677 /nfs/dbraw/zinc/82/56/77/361825677.db2.gz SVCJXSFMMLZNAK-HNNXBMFYSA-N 0 3 295.427 1.221 20 70 CDIDHN c1cn(CCN2CCN(c3ccncc3)CC2)cn1 ZINC000161359532 539117526 /nfs/dbraw/zinc/11/75/26/539117526.db2.gz DMCKIPUPQNEILK-UHFFFAOYSA-N 0 3 257.341 1.100 20 70 CDIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@H](N)C(C)C)CCO1 ZINC000160842985 362183310 /nfs/dbraw/zinc/18/33/10/362183310.db2.gz IUOMYHDRTLHHKL-HUUCEWRRSA-N 0 3 276.380 1.878 20 70 CDIDHN CCSCCN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159396807 362318037 /nfs/dbraw/zinc/31/80/37/362318037.db2.gz VKSJXYREAQSKJX-LBPRGKRZSA-N 0 3 294.486 1.533 20 70 CDIDHN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)c1cnn(C)c1 ZINC000159581917 362346064 /nfs/dbraw/zinc/34/60/64/362346064.db2.gz MTDINCLWNZYWFF-RISCZKNCSA-N 0 3 272.352 1.167 20 70 CDIDHN Cc1nnc2c(N[C@H]3CCN(C)[C@@H](C)C3)nccn12 ZINC000218058103 282343140 /nfs/dbraw/zinc/34/31/40/282343140.db2.gz NTTIWCHJXXWSGJ-ONGXEEELSA-N 0 3 260.345 1.327 20 70 CDIDHN CCC(CC)(CNCC(=O)N1CCC(C)CC1)C(=O)OC ZINC000159649740 363116790 /nfs/dbraw/zinc/11/67/90/363116790.db2.gz KMVBPMXMXKMBBH-UHFFFAOYSA-N 0 3 298.427 1.814 20 70 CDIDHN Cc1nc2ccccn2c1CN1CCO[C@@H](CN(C)C)C1 ZINC000160118364 363675930 /nfs/dbraw/zinc/67/59/30/363675930.db2.gz RNIBBYRLXPZEIL-AWEZNQCLSA-N 0 3 288.395 1.405 20 70 CDIDHN CCC(CC)(CNCC(=O)Nc1cc(C)on1)C(=O)OC ZINC000159665424 364249989 /nfs/dbraw/zinc/24/99/89/364249989.db2.gz WLWXHDGVJFDHMW-UHFFFAOYSA-N 0 3 297.355 1.491 20 70 CDIDHN CC(C)(C)[C@@H](NCc1ccc(-n2cccn2)cc1)C(N)=O ZINC000159543259 364230895 /nfs/dbraw/zinc/23/08/95/364230895.db2.gz FSWJZNOKTXURGM-AWEZNQCLSA-N 0 3 286.379 1.862 20 70 CDIDHN CC[C@@H](C(=O)NC[C@H](O)C1CCCCC1)N(C)C ZINC000160242015 364324364 /nfs/dbraw/zinc/32/43/64/364324364.db2.gz LNDVCNDVELSKAV-STQMWFEESA-N 0 3 256.390 1.384 20 70 CDIDHN Cc1ccc(F)cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160250194 364326552 /nfs/dbraw/zinc/32/65/52/364326552.db2.gz IWZQCPJXWLINCC-CQSZACIVSA-N 0 3 294.370 1.711 20 70 CDIDHN CC[C@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1 ZINC000160781605 364407881 /nfs/dbraw/zinc/40/78/81/364407881.db2.gz ASYYCTFCRUVGTQ-HZSPNIEDSA-N 0 3 280.343 1.899 20 70 CDIDHN CCCN(CCO)Cc1cc(OC)ccc1OCOC ZINC000161225298 364465226 /nfs/dbraw/zinc/46/52/26/364465226.db2.gz VUXPFRVLEGGREY-UHFFFAOYSA-N 0 3 283.368 1.882 20 70 CDIDHN COCCNCC(=O)N1CCCC[C@H]1CC(C)C ZINC000160876519 377122414 /nfs/dbraw/zinc/12/24/14/377122414.db2.gz AWWGXRRKFVTCRR-ZDUSSCGKSA-N 0 3 256.390 1.650 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)C1CCCCC1 ZINC000160560923 377087187 /nfs/dbraw/zinc/08/71/87/377087187.db2.gz XLAHJURRQVSRQB-UHFFFAOYSA-N 0 3 268.401 1.387 20 70 CDIDHN COc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c([O-])c1 ZINC000159870977 533285040 /nfs/dbraw/zinc/28/50/40/533285040.db2.gz IHYCCPINZMUYMY-LBPRGKRZSA-N 0 3 264.325 1.210 20 70 CDIDHN CC1CCN(C(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000160515093 520980834 /nfs/dbraw/zinc/98/08/34/520980834.db2.gz UVBXXAQTKYWERL-ZDUSSCGKSA-N 0 3 253.390 1.864 20 70 CDIDHN COCCN(C)CCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000160434469 523582090 /nfs/dbraw/zinc/58/20/90/523582090.db2.gz SVQFWSXNWBHMIV-UONOGXRCSA-N 0 3 270.417 1.897 20 70 CDIDHN CCS(=O)(=O)NCCN[C@H](C)c1ccccc1C ZINC000159406585 362318438 /nfs/dbraw/zinc/31/84/38/362318438.db2.gz MCLKERKNLNYIOT-GFCCVEGCSA-N 0 3 270.398 1.585 20 70 CDIDHN CCS(=O)(=O)NCCN[C@@H](C)c1ccccc1C ZINC000159406450 362319359 /nfs/dbraw/zinc/31/93/59/362319359.db2.gz MCLKERKNLNYIOT-LBPRGKRZSA-N 0 3 270.398 1.585 20 70 CDIDHN COCc1ccccc1CNC[C@]1(OC)CCOC1 ZINC000160144731 362397852 /nfs/dbraw/zinc/39/78/52/362397852.db2.gz WVWJBQDLMVESOX-OAHLLOKOSA-N 0 3 265.353 1.728 20 70 CDIDHN CC[C@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)N(C)C ZINC000161075889 362564660 /nfs/dbraw/zinc/56/46/60/362564660.db2.gz ZENHGCSSHGFPGC-VXGBXAGGSA-N 0 3 299.415 1.452 20 70 CDIDHN O=C(Cc1ccsc1)NC[C@@H](O)CN1CCCCC1 ZINC000159937946 188448264 /nfs/dbraw/zinc/44/82/64/188448264.db2.gz VVTNWDRAOKKOII-CYBMUJFWSA-N 0 3 282.409 1.254 20 70 CDIDHN CS[C@@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000159868373 363386247 /nfs/dbraw/zinc/38/62/47/363386247.db2.gz FOJBQSNBHDZSBY-ZJUUUORDSA-N 0 3 259.419 1.520 20 70 CDIDHN Cc1occc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160478833 237176816 /nfs/dbraw/zinc/17/68/16/237176816.db2.gz PWVOPWUXUQACTJ-GFCCVEGCSA-N 0 3 266.341 1.165 20 70 CDIDHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000161065452 360758328 /nfs/dbraw/zinc/75/83/28/360758328.db2.gz PBSGEYXRGWSXID-SOUVJXGZSA-N 0 3 280.412 1.840 20 70 CDIDHN COC(=O)c1ccc(NC(=O)[C@@H](C)N)c(OC(F)F)c1 ZINC000159753734 364260995 /nfs/dbraw/zinc/26/09/95/364260995.db2.gz QZEIOAMVHFTCIR-ZCFIWIBFSA-N 0 3 288.250 1.360 20 70 CDIDHN CCN(C)CCNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000160146982 364313001 /nfs/dbraw/zinc/31/30/01/364313001.db2.gz BBSFAQJTCRJKSM-UHFFFAOYSA-N 0 3 291.395 1.325 20 70 CDIDHN CCc1ccccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160602211 364380732 /nfs/dbraw/zinc/38/07/32/364380732.db2.gz UAMLQMZZUQKSMN-OAHLLOKOSA-N 0 3 290.407 1.826 20 70 CDIDHN COC[C@@H](Cc1ccccc1)NCC(=O)NC(C)C ZINC000160956768 364432470 /nfs/dbraw/zinc/43/24/70/364432470.db2.gz QDOYMKJLGFANKQ-CQSZACIVSA-N 0 3 264.369 1.358 20 70 CDIDHN CC(C)CSCCCNC(=O)C(C)S(C)(=O)=O ZINC000160817432 364412658 /nfs/dbraw/zinc/41/26/58/364412658.db2.gz YDOBYPQPNZJBHI-SNVBAGLBSA-N 0 3 281.443 1.315 20 70 CDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1cc(C)cc(C)c1 ZINC000218277844 373743788 /nfs/dbraw/zinc/74/37/88/373743788.db2.gz UMKXAQIDVGPCJG-CQSZACIVSA-N 0 3 294.395 1.111 20 70 CDIDHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)c(C)o1 ZINC000160647734 377099022 /nfs/dbraw/zinc/09/90/22/377099022.db2.gz ODRAUBXSBBMSBS-UHFFFAOYSA-N 0 3 280.368 1.331 20 70 CDIDHN NC1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000159495516 295200570 /nfs/dbraw/zinc/20/05/70/295200570.db2.gz XVKXFEORCFDPFQ-UHFFFAOYSA-N 0 3 290.207 1.821 20 70 CDIDHN COCCC1(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000161030726 533196070 /nfs/dbraw/zinc/19/60/70/533196070.db2.gz VFDCXVQNAUCJFM-CQSZACIVSA-N 0 3 297.443 1.786 20 70 CDIDHN CCO[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)C)C12CCCC2 ZINC000161114706 391537404 /nfs/dbraw/zinc/53/74/04/391537404.db2.gz CNYITJCEMWUEMP-AGIUHOORSA-N 0 3 268.401 1.824 20 70 CDIDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H](C)N ZINC000161056528 361750092 /nfs/dbraw/zinc/75/00/92/361750092.db2.gz VFGPOWJDADQTAY-HOTUBEGUSA-N 0 3 270.760 1.879 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@H](C)C(=O)OC(C)C)CC1 ZINC000159924399 361947355 /nfs/dbraw/zinc/94/73/55/361947355.db2.gz KZSOVEWAODQPHN-ZDUSSCGKSA-N 0 3 299.415 1.311 20 70 CDIDHN CCCCCNC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161382653 539117624 /nfs/dbraw/zinc/11/76/24/539117624.db2.gz HOJJBDOIBHCQCR-UHFFFAOYSA-N 0 3 290.411 1.510 20 70 CDIDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159748042 362517624 /nfs/dbraw/zinc/51/76/24/362517624.db2.gz HJSJCZMRBULPRS-KFWWJZLASA-N 0 3 295.427 1.728 20 70 CDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N[C@@H]1CCCC[C@H]1O ZINC000160732074 346280792 /nfs/dbraw/zinc/28/07/92/346280792.db2.gz VCFBHWKKHMVICM-MGPQQGTHSA-N 0 3 281.400 1.073 20 70 CDIDHN C[C@H](CNC(=O)N(C)CC1CCOCC1)N(C)C1CC1 ZINC000159799304 363315396 /nfs/dbraw/zinc/31/53/96/363315396.db2.gz WIUKXAPTWVNBKL-GFCCVEGCSA-N 0 3 283.416 1.537 20 70 CDIDHN CCC1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159428275 359117733 /nfs/dbraw/zinc/11/77/33/359117733.db2.gz WMYOYACOXNFHSC-UHFFFAOYSA-N 0 3 293.411 1.973 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000159896955 364278124 /nfs/dbraw/zinc/27/81/24/364278124.db2.gz GQAGEWLPZGDASY-PWSUYJOCSA-N 0 3 263.341 1.113 20 70 CDIDHN O=C(CCc1ccsc1)NC[C@@H](O)CN1CCCCC1 ZINC000160203853 364317919 /nfs/dbraw/zinc/31/79/19/364317919.db2.gz PFHHYROPGCWGPH-CQSZACIVSA-N 0 3 296.436 1.644 20 70 CDIDHN Cc1ccc2cc(C(=O)NCCN(C)C)ccc2n1 ZINC000161385304 364485759 /nfs/dbraw/zinc/48/57/59/364485759.db2.gz SSZAGXIHWDPCJV-UHFFFAOYSA-N 0 3 257.337 1.835 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000159995604 285212715 /nfs/dbraw/zinc/21/27/15/285212715.db2.gz OCQAFEWNUOENQZ-RBSFLKMASA-N 0 3 295.427 1.681 20 70 CDIDHN CCCO[C@H]1CCCN(C(=O)[C@H](N)CCSC)CC1 ZINC000159472590 276267303 /nfs/dbraw/zinc/26/73/03/276267303.db2.gz MUCPHKAMFJXXJD-QWHCGFSZSA-N 0 3 288.457 1.875 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCc3c1cnn3C)CC2 ZINC000160563169 279144170 /nfs/dbraw/zinc/14/41/70/279144170.db2.gz FAXXFQHCOBIBQJ-YPMHNXCESA-N 0 3 286.383 1.302 20 70 CDIDHN CCCN1CCCN(C(=O)c2cnn(C)c2C)CC1 ZINC000160358289 519851949 /nfs/dbraw/zinc/85/19/49/519851949.db2.gz BVAMMKNFXIXPSY-UHFFFAOYSA-N 0 3 264.373 1.286 20 70 CDIDHN Cc1conc1NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C ZINC000160128652 534756205 /nfs/dbraw/zinc/75/62/05/534756205.db2.gz JEIFHMZCCGQDEI-NSHDSACASA-N 0 3 296.371 1.014 20 70 CDIDHN CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000160208877 362054148 /nfs/dbraw/zinc/05/41/48/362054148.db2.gz VFBDCDVRMFXKEM-CYBMUJFWSA-N 0 3 299.415 1.454 20 70 CDIDHN CSCC[C@@H](N)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159613349 362345844 /nfs/dbraw/zinc/34/58/44/362345844.db2.gz HAUCAKHKJJCMQS-NWDGAFQWSA-N 0 3 258.431 1.961 20 70 CDIDHN CCN(CC1CC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160725562 346250786 /nfs/dbraw/zinc/25/07/86/346250786.db2.gz BQIZZLXIKCXFQR-AWEZNQCLSA-N 0 3 265.401 1.912 20 70 CDIDHN CCCCNC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159604678 363052884 /nfs/dbraw/zinc/05/28/84/363052884.db2.gz ZGKRTTYMJOGYKK-STQMWFEESA-N 0 3 281.400 1.877 20 70 CDIDHN O=C(c1cc(-c2ccncc2)on1)N1CCCNCC1 ZINC000160873368 361479306 /nfs/dbraw/zinc/47/93/06/361479306.db2.gz JTQDWZBZAFEWBG-UHFFFAOYSA-N 0 3 272.308 1.172 20 70 CDIDHN CNCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000159428442 361696073 /nfs/dbraw/zinc/69/60/73/361696073.db2.gz BSCHTIRCPKVKJI-GXFFZTMASA-N 0 3 250.317 1.955 20 70 CDIDHN CCC[C@@H](N)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159501841 364222017 /nfs/dbraw/zinc/22/20/17/364222017.db2.gz RSVYHCYCKJWXAG-LLVKDONJSA-N 0 3 259.313 1.538 20 70 CDIDHN CSCC[C@@H](N)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159502468 364221664 /nfs/dbraw/zinc/22/16/64/364221664.db2.gz XQMRPNGNFBJSRK-LLVKDONJSA-N 0 3 291.380 1.491 20 70 CDIDHN Cc1ccc(C[C@H](C)NC(=O)CNC[C@H]2CCCO2)s1 ZINC000159794046 364265507 /nfs/dbraw/zinc/26/55/07/364265507.db2.gz KVFCFQXOWPYGHC-WCQYABFASA-N 0 3 296.436 1.872 20 70 CDIDHN CCN1CCCN(C(=O)NOCc2ccccc2)CC1 ZINC000159818218 364270311 /nfs/dbraw/zinc/27/03/11/364270311.db2.gz HQTKSVPDHRZKFW-UHFFFAOYSA-N 0 3 277.368 1.855 20 70 CDIDHN CCCn1ccc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc21 ZINC000159852815 364273253 /nfs/dbraw/zinc/27/32/53/364273253.db2.gz BWYABHAOWLAABK-ZIAGYGMSSA-N 0 3 287.363 1.713 20 70 CDIDHN CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CN)cc1 ZINC000160353519 364337163 /nfs/dbraw/zinc/33/71/63/364337163.db2.gz XTLGIHSKYBOIDL-GFCCVEGCSA-N 0 3 296.392 1.044 20 70 CDIDHN CN(CCNC(=O)c1cccc(=O)n1C)Cc1ccccc1 ZINC000160891394 364424472 /nfs/dbraw/zinc/42/44/72/364424472.db2.gz MIBVKPRQODGACQ-UHFFFAOYSA-N 0 3 299.374 1.247 20 70 CDIDHN COc1cc(CNC[C@@](C)(O)CSC)cc2c1OCO2 ZINC000217843913 367260066 /nfs/dbraw/zinc/26/00/66/367260066.db2.gz ONDJXYUMJPSESX-CQSZACIVSA-N 0 3 299.392 1.628 20 70 CDIDHN CC(C)C[C@H](N)C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000161507953 375650522 /nfs/dbraw/zinc/65/05/22/375650522.db2.gz AWWYCMWXFNFVJQ-SNPRPXQTSA-N 0 3 278.396 1.988 20 70 CDIDHN N[C@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccsc1 ZINC000161499954 375643460 /nfs/dbraw/zinc/64/34/60/375643460.db2.gz SOANYCCVZGRRFJ-KGLIPLIRSA-N 0 3 290.388 1.468 20 70 CDIDHN CC(C)N(C)CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159613014 390940383 /nfs/dbraw/zinc/94/03/83/390940383.db2.gz VPLSNXKYRGOUHI-ZDUSSCGKSA-N 0 3 268.401 1.935 20 70 CDIDHN CN1CCC(NC(=O)NCc2ncccc2F)CC1 ZINC000159570537 292761880 /nfs/dbraw/zinc/76/18/80/292761880.db2.gz CKLLWAXXPYVFMC-UHFFFAOYSA-N 0 3 266.320 1.114 20 70 CDIDHN CCC[C@H]1CN(C(=O)NCCN2CCC(C)CC2)CCO1 ZINC000160215075 292780638 /nfs/dbraw/zinc/78/06/38/292780638.db2.gz WWLMXPRXYDSIJV-HNNXBMFYSA-N 0 3 297.443 1.929 20 70 CDIDHN COCCN1CCC(NC(=O)C[C@H](C)SC)CC1 ZINC000161182203 292801165 /nfs/dbraw/zinc/80/11/65/292801165.db2.gz OYKJLRVOTHOHFD-NSHDSACASA-N 0 3 274.430 1.355 20 70 CDIDHN OCCCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161206820 292801956 /nfs/dbraw/zinc/80/19/56/292801956.db2.gz YGTGSKTYTVTCCC-NSHDSACASA-N 0 3 269.307 1.784 20 70 CDIDHN CCCN1CCCN(C(=O)CCCc2nc(C)no2)CC1 ZINC000160396101 519848702 /nfs/dbraw/zinc/84/87/02/519848702.db2.gz MPVFPNQXXJFZKU-UHFFFAOYSA-N 0 3 294.399 1.645 20 70 CDIDHN CCC[C@@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160680430 520608984 /nfs/dbraw/zinc/60/89/84/520608984.db2.gz NJJDACCNDHBDFF-GFCCVEGCSA-N 0 3 256.390 1.243 20 70 CDIDHN CC[C@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159646997 361760276 /nfs/dbraw/zinc/76/02/76/361760276.db2.gz YASLLQOBYGPUHH-ZFWWWQNUSA-N 0 3 262.353 1.498 20 70 CDIDHN C[C@H]1CN(C[C@H](O)COCc2ccccc2)CC[C@@H]1O ZINC000159416755 362320269 /nfs/dbraw/zinc/32/02/69/362320269.db2.gz NSMILJJBEQVXMC-BPUTZDHNSA-N 0 3 279.380 1.267 20 70 CDIDHN CCOC(=O)c1ccc(CNC(=O)C2(N)CCCCC2)o1 ZINC000159576520 345219750 /nfs/dbraw/zinc/21/97/50/345219750.db2.gz DKHQJXFSAPBKOV-UHFFFAOYSA-N 0 3 294.351 1.734 20 70 CDIDHN CCCCN(C)CCNC(=O)NC[C@H](C)SC ZINC000159838405 363368158 /nfs/dbraw/zinc/36/81/58/363368158.db2.gz XBVCQYHPMZZYLC-NSHDSACASA-N 0 3 261.435 1.769 20 70 CDIDHN CCN1CCN(CCCNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000160441520 358639390 /nfs/dbraw/zinc/63/93/90/358639390.db2.gz XSDXRXFELUIDGA-HOTGVXAUSA-N 0 3 295.471 1.957 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161067950 237189016 /nfs/dbraw/zinc/18/90/16/237189016.db2.gz QKVAMQCTUWLAPJ-MCIONIFRSA-N 0 3 266.385 1.450 20 70 CDIDHN CSCC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000161088528 360644269 /nfs/dbraw/zinc/64/42/69/360644269.db2.gz YZCJMJHZLBNSRW-SWLSCSKDSA-N 0 3 292.448 1.988 20 70 CDIDHN Cc1oc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)c1C ZINC000160449955 361456841 /nfs/dbraw/zinc/45/68/41/361456841.db2.gz BLXRABCPFJGMSN-AWEZNQCLSA-N 0 3 294.395 1.781 20 70 CDIDHN CC(C)(N)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159394670 364199055 /nfs/dbraw/zinc/19/90/55/364199055.db2.gz NRSJOUXSZRLYQB-JTQLQIEISA-N 0 3 295.770 1.299 20 70 CDIDHN NC(=O)c1cccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626663 364243544 /nfs/dbraw/zinc/24/35/44/364243544.db2.gz CPCRYUINIJIZDV-ILXRZTDVSA-N 0 3 286.375 1.833 20 70 CDIDHN CCOC(=O)[C@@H]1CCCCN1Cc1cn[nH]c1C ZINC000161283384 364474717 /nfs/dbraw/zinc/47/47/17/364474717.db2.gz UNFOWECPSPGUKS-LBPRGKRZSA-N 0 3 251.330 1.636 20 70 CDIDHN CCC[C@H](C(=O)N1CCc2n[nH]cc2C1)N(C)C ZINC000161452896 364494928 /nfs/dbraw/zinc/49/49/28/364494928.db2.gz XFMHLFDFJXIHFV-GFCCVEGCSA-N 0 3 250.346 1.025 20 70 CDIDHN CC(C)C[C@@H](N)C(=O)NCCCOC1CCOCC1 ZINC000160939801 482844311 /nfs/dbraw/zinc/84/43/11/482844311.db2.gz UUMQJVBNNOYCNB-CYBMUJFWSA-N 0 3 272.389 1.062 20 70 CDIDHN COCCC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000161465779 523003460 /nfs/dbraw/zinc/00/34/60/523003460.db2.gz AOPQWCJDFSPPQD-CYBMUJFWSA-N 0 3 266.385 1.500 20 70 CDIDHN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H](C)N ZINC000159783475 361845933 /nfs/dbraw/zinc/84/59/33/361845933.db2.gz RRPNTGHMWPNSOB-SNVBAGLBSA-N 0 3 297.786 1.864 20 70 CDIDHN CN(C)[C@@H](CNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161099681 282177633 /nfs/dbraw/zinc/17/76/33/282177633.db2.gz AFRNDDJDLKFGCP-CVEARBPZSA-N 0 3 290.407 1.845 20 70 CDIDHN CCN(C)CCNC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000160134138 362036024 /nfs/dbraw/zinc/03/60/24/362036024.db2.gz XXYUZWXWOOBQQR-OCCSQVGLSA-N 0 3 291.395 1.802 20 70 CDIDHN CCNC(=O)c1cccc(CN[C@H](CC)COC)c1 ZINC000160199392 362053188 /nfs/dbraw/zinc/05/31/88/362053188.db2.gz JGHBNDHMFOFMJZ-CQSZACIVSA-N 0 3 264.369 1.951 20 70 CDIDHN CCN(C)C(=O)CNCc1cccc2cccnc21 ZINC000159416020 362320530 /nfs/dbraw/zinc/32/05/30/362320530.db2.gz HBDRMPIBBUNHHQ-UHFFFAOYSA-N 0 3 257.337 1.803 20 70 CDIDHN CN(Cc1ccncc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160693951 346196222 /nfs/dbraw/zinc/19/62/22/346196222.db2.gz SDIQBKFQTJMLCV-HNNXBMFYSA-N 0 3 288.395 1.707 20 70 CDIDHN C[C@@H](N[C@@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159747863 363272324 /nfs/dbraw/zinc/27/23/24/363272324.db2.gz QAKMIYBPKRHCHK-RISCZKNCSA-N 0 3 277.368 1.403 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCSC1 ZINC000159426994 358521061 /nfs/dbraw/zinc/52/10/61/358521061.db2.gz NGWGFHRUMDQZLT-GFCCVEGCSA-N 0 3 273.446 1.864 20 70 CDIDHN COCCOC[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160849439 358774336 /nfs/dbraw/zinc/77/43/36/358774336.db2.gz DGMCKMFGFSDRFX-AWEZNQCLSA-N 0 3 289.379 1.819 20 70 CDIDHN Cc1cccc(O[C@@H](C)CNC(=O)[C@@]2(F)CCNC2)c1 ZINC000161169640 358790051 /nfs/dbraw/zinc/79/00/51/358790051.db2.gz ZYELEWUBVJPSET-SWLSCSKDSA-N 0 3 280.343 1.580 20 70 CDIDHN CCCc1ncc(C(=O)N2CCCNCC2)s1 ZINC000160881450 361496629 /nfs/dbraw/zinc/49/66/29/361496629.db2.gz RLPAMBDYICNHKW-UHFFFAOYSA-N 0 3 253.371 1.531 20 70 CDIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(N)=O ZINC000160511310 363963292 /nfs/dbraw/zinc/96/32/92/363963292.db2.gz ZSLYMEGJARUCCV-ONGXEEELSA-N 0 3 255.339 1.426 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccccn2)CC1 ZINC000159528785 364228122 /nfs/dbraw/zinc/22/81/22/364228122.db2.gz DVZGBDWXAWBYFZ-ZDUSSCGKSA-N 0 3 276.384 1.880 20 70 CDIDHN CC(C)[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)N(C)C ZINC000160242196 364324268 /nfs/dbraw/zinc/32/42/68/364324268.db2.gz BZLOGLQXHJCSHW-AWEZNQCLSA-N 0 3 278.352 1.964 20 70 CDIDHN CNCC(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000160508780 364364199 /nfs/dbraw/zinc/36/41/99/364364199.db2.gz YGNPAJGCOMWHBT-GXFFZTMASA-N 0 3 266.316 1.334 20 70 CDIDHN CCc1cc(=O)[n-]c(CN2CC[NH+](CC(C)C)CC2)n1 ZINC000160583628 364376737 /nfs/dbraw/zinc/37/67/37/364376737.db2.gz WHCMFMGEWUPNQV-UHFFFAOYSA-N 0 3 278.400 1.518 20 70 CDIDHN Cc1ccc(/C=C/C(=O)NC[C@H](O)CN2CCCCC2)o1 ZINC000160605227 364380985 /nfs/dbraw/zinc/38/09/85/364380985.db2.gz SQAFRBMBSKZKMK-NPQIQWPPSA-N 0 3 292.379 1.564 20 70 CDIDHN CSCC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160414229 364348760 /nfs/dbraw/zinc/34/87/60/364348760.db2.gz WRXUIETUSLWACR-NSHDSACASA-N 0 3 293.392 1.590 20 70 CDIDHN CCN(Cc1ccccn1)CC1(O)CCOCC1 ZINC000161118275 364449312 /nfs/dbraw/zinc/44/93/12/364449312.db2.gz ZPNHHZSLBPQZIO-UHFFFAOYSA-N 0 3 250.342 1.445 20 70 CDIDHN CCc1ccccc1C(=O)NCCCN1CCN(C)CC1 ZINC000160794405 364411030 /nfs/dbraw/zinc/41/10/30/364411030.db2.gz LDJKFTBNKWWAFU-UHFFFAOYSA-N 0 3 289.423 1.616 20 70 CDIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)N)[C@H](C)CO1 ZINC000161467223 373756378 /nfs/dbraw/zinc/75/63/78/373756378.db2.gz PLRGZSFEYXQAFO-MBNYWOFBSA-N 0 3 262.353 1.631 20 70 CDIDHN O=C(c1ccc[nH]c1=O)N1CC[C@H](N2CCCCC2)C1 ZINC000217933801 375764196 /nfs/dbraw/zinc/76/41/96/375764196.db2.gz WKEBUTLCFDQSAH-LBPRGKRZSA-N 0 3 275.352 1.488 20 70 CDIDHN C[C@H]1CCCCN1S(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000217839938 140164459 /nfs/dbraw/zinc/16/44/59/140164459.db2.gz NMCKFVRELAXFRC-GXTWGEPZSA-N 0 3 297.424 1.395 20 70 CDIDHN C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000218001937 140164740 /nfs/dbraw/zinc/16/47/40/140164740.db2.gz SPSAFRHANRVYNX-FRRDWIJNSA-N 0 3 253.390 1.911 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)o1 ZINC000160623231 261220673 /nfs/dbraw/zinc/22/06/73/261220673.db2.gz KZNWBIGTBBIZPP-SNVBAGLBSA-N 0 3 286.759 1.510 20 70 CDIDHN CC[C@@H](C(=O)N[C@@H]1COc2ccc(C)cc21)N(C)C ZINC000161150343 276516200 /nfs/dbraw/zinc/51/62/00/276516200.db2.gz PPVSEDGTMWKOTC-OLZOCXBDSA-N 0 3 262.353 1.885 20 70 CDIDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H](C)N ZINC000161057952 277281859 /nfs/dbraw/zinc/28/18/59/277281859.db2.gz VFGPOWJDADQTAY-VDDIYKPWSA-N 0 3 270.760 1.879 20 70 CDIDHN OCCCCCN1CCN(Cc2ccccn2)CC1 ZINC000160963383 279876895 /nfs/dbraw/zinc/87/68/95/279876895.db2.gz WHFDNMFHBVSOMJ-UHFFFAOYSA-N 0 3 263.385 1.362 20 70 CDIDHN CC[C@@H](C(=O)NC[C@@H](O)c1ccccc1)N(C)C ZINC000160041387 280077439 /nfs/dbraw/zinc/07/74/39/280077439.db2.gz RMBUYINMDCHDOG-QWHCGFSZSA-N 0 3 250.342 1.176 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)C[C@@H]2CCCO2)CC1 ZINC000159801546 529031001 /nfs/dbraw/zinc/03/10/01/529031001.db2.gz RPVRXEIYZLARCW-KGLIPLIRSA-N 0 3 283.416 1.681 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000159693518 361778924 /nfs/dbraw/zinc/77/89/24/361778924.db2.gz TXAKUPQYUILCIV-KFWWJZLASA-N 0 3 297.443 1.926 20 70 CDIDHN CCOC(=O)CCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159629889 342367701 /nfs/dbraw/zinc/36/77/01/342367701.db2.gz IZXXOWJAPLGZGU-KBPBESRZSA-N 0 3 296.411 1.710 20 70 CDIDHN CC[C@H]1CCCCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000159371519 362316081 /nfs/dbraw/zinc/31/60/81/362316081.db2.gz QAFVEMYRLPFZAF-KBPBESRZSA-N 0 3 268.401 1.936 20 70 CDIDHN O=C1[C@H](N2CC[C@@]3(O)CCCC[C@H]3C2)CCN1C1CC1 ZINC000160488129 362431946 /nfs/dbraw/zinc/43/19/46/362431946.db2.gz PNHNFQFPSLANOW-BJJXKVORSA-N 0 3 278.396 1.377 20 70 CDIDHN CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1O)N1CCCCC1 ZINC000161278269 365969831 /nfs/dbraw/zinc/96/98/31/365969831.db2.gz IRNZBHOGIAWRKI-MELADBBJSA-N 0 3 268.401 1.527 20 70 CDIDHN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H](C)N)cc1 ZINC000161100651 363266384 /nfs/dbraw/zinc/26/63/84/363266384.db2.gz IDBGWMBVYGWQFJ-VHDGCEQUSA-N 0 3 276.380 1.926 20 70 CDIDHN C[C@@H]1C[C@H](NC(=O)NCc2ncccc2F)CN1C1CC1 ZINC000160004778 363570281 /nfs/dbraw/zinc/57/02/81/363570281.db2.gz WNHUYXNZAAWYIZ-MNOVXSKESA-N 0 3 292.358 1.645 20 70 CDIDHN CCC[C@@H]1CN(C(=O)NCCN2CCC(C)CC2)CCO1 ZINC000160214935 363770488 /nfs/dbraw/zinc/77/04/88/363770488.db2.gz WWLMXPRXYDSIJV-OAHLLOKOSA-N 0 3 297.443 1.929 20 70 CDIDHN COCCN1CCC(NC(=O)C2(CCOC)CC2)CC1 ZINC000160378948 363837032 /nfs/dbraw/zinc/83/70/32/363837032.db2.gz YGQRUBZJUMQNTH-UHFFFAOYSA-N 0 3 284.400 1.030 20 70 CDIDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(O)CCSC2)c1 ZINC000159402114 364200396 /nfs/dbraw/zinc/20/03/96/364200396.db2.gz STHVMXMSLXKFKM-OAHLLOKOSA-N 0 3 294.420 1.863 20 70 CDIDHN Cc1noc(C)c1[C@H](C)CNC(=O)NC1CCN(C)CC1 ZINC000159567859 364234451 /nfs/dbraw/zinc/23/44/51/364234451.db2.gz VKXHTEJATFWNDF-SNVBAGLBSA-N 0 3 294.399 1.788 20 70 CDIDHN CCN1CCCN(C(=O)NCCCn2cccn2)CC1 ZINC000159594656 364239154 /nfs/dbraw/zinc/23/91/54/364239154.db2.gz DLXKGIDXOZSHED-UHFFFAOYSA-N 0 3 279.388 1.010 20 70 CDIDHN CCc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160003495 364291998 /nfs/dbraw/zinc/29/19/98/364291998.db2.gz VSSFGWXEGKVGFG-MRXNPFEDSA-N 0 3 290.407 1.826 20 70 CDIDHN CC[C@@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1 ZINC000160781464 364407531 /nfs/dbraw/zinc/40/75/31/364407531.db2.gz ASYYCTFCRUVGTQ-BFHYXJOUSA-N 0 3 280.343 1.899 20 70 CDIDHN CCn1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159628869 368113751 /nfs/dbraw/zinc/11/37/51/368113751.db2.gz BZXMILLGQHEMPA-IHRRRGAJSA-N 0 3 261.369 1.950 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161245143 278304198 /nfs/dbraw/zinc/30/41/98/278304198.db2.gz HWCLCLXFSSFXBM-CKYFFXLPSA-N 0 3 250.317 1.877 20 70 CDIDHN Cc1noc(Cl)c1CC(=O)NC1CCN(C2CC2)CC1 ZINC000159379064 292757753 /nfs/dbraw/zinc/75/77/53/292757753.db2.gz ITLZEJHIJIBHEN-UHFFFAOYSA-N 0 3 297.786 1.922 20 70 CDIDHN Cc1cccc(OC[C@H](O)CNCCOC(C)C)c1 ZINC000160198899 483062312 /nfs/dbraw/zinc/06/23/12/483062312.db2.gz UZNSDNKQLJCNQC-CQSZACIVSA-N 0 3 267.369 1.749 20 70 CDIDHN CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612843 522039128 /nfs/dbraw/zinc/03/91/28/522039128.db2.gz XTUHSQYGYXOUDX-ZNMIVQPWSA-N 0 3 295.427 1.680 20 70 CDIDHN C[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000161188512 524825026 /nfs/dbraw/zinc/82/50/26/524825026.db2.gz LZGOIDVPFUBZDU-IMTBSYHQSA-N 0 3 264.222 1.893 20 70 CDIDHN CC(C)(C)[C@H](N)C(=O)NCc1ccccc1OCCO ZINC000159809662 526700764 /nfs/dbraw/zinc/70/07/64/526700764.db2.gz RKHBYQWWVJYIOP-CYBMUJFWSA-N 0 3 280.368 1.047 20 70 CDIDHN CC[C@H](N)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000159965359 188449647 /nfs/dbraw/zinc/44/96/47/188449647.db2.gz SKUBGGVXCIWMGE-KCJUWKMLSA-N 0 3 284.331 1.757 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ncc(C)s2)CC1 ZINC000159915164 363459436 /nfs/dbraw/zinc/45/94/36/363459436.db2.gz RYIKAOCVAMTCKM-UHFFFAOYSA-N 0 3 282.413 1.689 20 70 CDIDHN C[C@H](CNC(=O)[C@]1(F)CCNC1)Oc1ccccc1F ZINC000161164343 358789820 /nfs/dbraw/zinc/78/98/20/358789820.db2.gz QQENDWVNYQJGQN-YGRLFVJLSA-N 0 3 284.306 1.411 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000161068062 237190310 /nfs/dbraw/zinc/19/03/10/237190310.db2.gz QKVAMQCTUWLAPJ-HZSPNIEDSA-N 0 3 266.385 1.450 20 70 CDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000160514575 363966278 /nfs/dbraw/zinc/96/62/78/363966278.db2.gz UGFRNDUVJYGALY-QWRGUYRKSA-N 0 3 269.389 1.731 20 70 CDIDHN CC(C)C(=O)NC[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000159791569 364265208 /nfs/dbraw/zinc/26/52/08/364265208.db2.gz IAKDOVRRKRNABK-AWEZNQCLSA-N 0 3 278.400 1.367 20 70 CDIDHN CNCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000159802104 364266843 /nfs/dbraw/zinc/26/68/43/364266843.db2.gz ALSJLFAIXAMHBA-ZYHUDNBSSA-N 0 3 250.317 1.750 20 70 CDIDHN CNCC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000160509063 364364875 /nfs/dbraw/zinc/36/48/75/364364875.db2.gz YGNPAJGCOMWHBT-GWCFXTLKSA-N 0 3 266.316 1.334 20 70 CDIDHN CSCC[C@@H](N)C(=O)NCCc1ccc(Cl)nc1 ZINC000160535193 364367268 /nfs/dbraw/zinc/36/72/68/364367268.db2.gz OQLHDFPLNFBHHI-SNVBAGLBSA-N 0 3 287.816 1.474 20 70 CDIDHN CC[C@@H](C(=O)NCc1ccc(C)c(OC)c1)N(C)C ZINC000161497157 364502833 /nfs/dbraw/zinc/50/28/33/364502833.db2.gz LYUIGYJTWQXECD-ZDUSSCGKSA-N 0 3 264.369 1.960 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1cccc(F)c1 ZINC000160561071 377087022 /nfs/dbraw/zinc/08/70/22/377087022.db2.gz ZJEKGZQENMITIU-UHFFFAOYSA-N 0 3 280.343 1.260 20 70 CDIDHN CCn1cnnc1[C@H]1CCCN(CCN2CCCC2=O)C1 ZINC000161267932 377201576 /nfs/dbraw/zinc/20/15/76/377201576.db2.gz MISNQDFLBUBHNN-ZDUSSCGKSA-N 0 3 291.399 1.100 20 70 CDIDHN COC(CN1CCC[C@@H](c2nnc3ccccn32)C1)OC ZINC000161182460 292079167 /nfs/dbraw/zinc/07/91/67/292079167.db2.gz XUVWTTLCBQLBQC-GFCCVEGCSA-N 0 3 290.367 1.528 20 70 CDIDHN C[C@@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161096386 274234573 /nfs/dbraw/zinc/23/45/73/274234573.db2.gz JFNJVOBFRSCYKY-IGJMFERPSA-N 0 3 250.317 1.913 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000159836584 278304215 /nfs/dbraw/zinc/30/42/15/278304215.db2.gz XPRIDRFWKZHZEQ-GIPNMCIBSA-N 0 3 282.771 1.976 20 70 CDIDHN CCCn1nccc1CN[C@H](C)CN1CCCC1=O ZINC000160102691 482783021 /nfs/dbraw/zinc/78/30/21/482783021.db2.gz AYURJIWCNAGTIF-GFCCVEGCSA-N 0 3 264.373 1.394 20 70 CDIDHN CCc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160719286 523890079 /nfs/dbraw/zinc/89/00/79/523890079.db2.gz ICPBSIZOZNQHOR-UHFFFAOYSA-N 0 3 290.407 1.683 20 70 CDIDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](COC)C1CC1 ZINC000160328686 529078558 /nfs/dbraw/zinc/07/85/58/529078558.db2.gz CEHCQRILZNSAGQ-OLZOCXBDSA-N 0 3 269.389 1.195 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cnc(C)nc1C)CC2 ZINC000160405674 282127361 /nfs/dbraw/zinc/12/73/61/282127361.db2.gz RFBPGUBUTABSFS-ZWNOBZJWSA-N 0 3 286.383 1.659 20 70 CDIDHN CCN1CCCN(C(=O)NCC2(CCOC)CC2)CC1 ZINC000160014599 362005434 /nfs/dbraw/zinc/00/54/34/362005434.db2.gz ZTGUCADOUVGOAR-UHFFFAOYSA-N 0 3 283.416 1.540 20 70 CDIDHN CN1CCC[C@@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC000159464543 342366654 /nfs/dbraw/zinc/36/66/54/342366654.db2.gz MPQQIZKOLHLCAE-NSHDSACASA-N 0 3 272.352 1.635 20 70 CDIDHN Cn1cnnc1CN1CCN(CC2CCCCC2)CC1 ZINC000160859246 362189218 /nfs/dbraw/zinc/18/92/18/362189218.db2.gz UBCBTQSNFXBXRS-UHFFFAOYSA-N 0 3 277.416 1.513 20 70 CDIDHN CC[C@H](CCO)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160682914 362467934 /nfs/dbraw/zinc/46/79/34/362467934.db2.gz VIVUCWZDMUBPOC-NFFDBFGFSA-N 0 3 298.427 1.044 20 70 CDIDHN CCc1ncc(C(=O)NC[C@@H](O)CN2CCCCC2)s1 ZINC000160546465 362475004 /nfs/dbraw/zinc/47/50/04/362475004.db2.gz KMWPZAAOYQRQNC-LLVKDONJSA-N 0 3 297.424 1.282 20 70 CDIDHN CCCCCN(CCO)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160626659 346182336 /nfs/dbraw/zinc/18/23/36/346182336.db2.gz IRNNTDOCXUTFOL-HNNXBMFYSA-N 0 3 297.443 1.665 20 70 CDIDHN CNCC(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000161398969 362934490 /nfs/dbraw/zinc/93/44/90/362934490.db2.gz AGDOJPWSUNMGRK-VIFPVBQESA-N 0 3 256.733 1.443 20 70 CDIDHN CCCCN(C)CCNC(=O)N(C)CC1CCOCC1 ZINC000159793619 363321135 /nfs/dbraw/zinc/32/11/35/363321135.db2.gz HGBBVYCSHFJPKV-UHFFFAOYSA-N 0 3 285.432 1.786 20 70 CDIDHN C[C@H]1C[C@@H](NC(=O)NCc2ncccc2F)CN1C1CC1 ZINC000160005183 363569600 /nfs/dbraw/zinc/56/96/00/363569600.db2.gz WNHUYXNZAAWYIZ-WDEREUQCSA-N 0 3 292.358 1.645 20 70 CDIDHN Cc1cccc(C)c1CNCC(C)(C)NS(C)(=O)=O ZINC000160384337 538848605 /nfs/dbraw/zinc/84/86/05/538848605.db2.gz GTRXTTTXRRLMPZ-UHFFFAOYSA-N 0 3 284.425 1.721 20 70 CDIDHN CCN(C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160538754 363980280 /nfs/dbraw/zinc/98/02/80/363980280.db2.gz PKGFCBXMTJEFCF-QWHCGFSZSA-N 0 3 257.399 1.852 20 70 CDIDHN CCN1CCCN(C(=O)NCc2nc(C)cs2)CC1 ZINC000159571591 364236613 /nfs/dbraw/zinc/23/66/13/364236613.db2.gz OPIPYKNWOYFOMF-UHFFFAOYSA-N 0 3 282.413 1.689 20 70 CDIDHN O=C(NCCN1CCCCC1)[C@@H](O)c1ccccc1 ZINC000159536576 364228240 /nfs/dbraw/zinc/22/82/40/364228240.db2.gz PQLYMHXQXKSPFL-AWEZNQCLSA-N 0 3 262.353 1.322 20 70 CDIDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(OC)nn1 ZINC000160246211 364325274 /nfs/dbraw/zinc/32/52/74/364325274.db2.gz JAFUKPBQCVTNEP-LBPRGKRZSA-N 0 3 292.383 1.480 20 70 CDIDHN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN)cc1 ZINC000160268853 364328247 /nfs/dbraw/zinc/32/82/47/364328247.db2.gz UCHWJKXYMXDGRS-AWEZNQCLSA-N 0 3 274.364 1.908 20 70 CDIDHN Cn1cc(Cl)cc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160074187 364304412 /nfs/dbraw/zinc/30/44/12/364304412.db2.gz TVNIOHKDUWQHMB-GFCCVEGCSA-N 0 3 299.802 1.255 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cncs1)CC2 ZINC000160402044 364347557 /nfs/dbraw/zinc/34/75/57/364347557.db2.gz MFVOZIQKSQCMQT-SCZZXKLOSA-N 0 3 263.370 1.709 20 70 CDIDHN CCN(CCNCc1cncn1C)C(=O)OC(C)(C)C ZINC000218184243 367261037 /nfs/dbraw/zinc/26/10/37/367261037.db2.gz CCFVQISNLKADNS-UHFFFAOYSA-N 0 3 282.388 1.767 20 70 CDIDHN COCCNCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000161425052 372797648 /nfs/dbraw/zinc/79/76/48/372797648.db2.gz KMGOHHSVZAHXLW-HIFRSBDPSA-N 0 3 276.380 1.627 20 70 CDIDHN C[C@@H](CNC(=O)[C@]1(F)CCNC1)Sc1ccccc1 ZINC000161120982 286874597 /nfs/dbraw/zinc/87/45/97/286874597.db2.gz CJKQTGSGPKMGQK-FZMZJTMJSA-N 0 3 282.384 1.985 20 70 CDIDHN COCCOc1ccccc1C(=O)N1CCCNCC1 ZINC000160871677 292604523 /nfs/dbraw/zinc/60/45/23/292604523.db2.gz CUABUVBJRLRPQE-UHFFFAOYSA-N 0 3 278.352 1.147 20 70 CDIDHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000161185798 264272785 /nfs/dbraw/zinc/27/27/85/264272785.db2.gz RFELXTNCKATBJX-YGRLFVJLSA-N 0 3 278.400 1.226 20 70 CDIDHN CC(C)C[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000161476757 275599257 /nfs/dbraw/zinc/59/92/57/275599257.db2.gz AZWOAQIRDHCZQU-OCCSQVGLSA-N 0 3 256.365 1.973 20 70 CDIDHN CCc1cc(=O)[n-]c(CN(C)C2CC[NH+](CC)CC2)n1 ZINC000160658910 279875644 /nfs/dbraw/zinc/87/56/44/279875644.db2.gz WHKOVBCUQYYQDH-UHFFFAOYSA-N 0 3 278.400 1.661 20 70 CDIDHN CC[C@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778171 522619489 /nfs/dbraw/zinc/61/94/89/522619489.db2.gz NOPKNWOEAQCSLD-MELADBBJSA-N 0 3 262.353 1.760 20 70 CDIDHN COc1cc(OC)c(OC)cc1NC(=O)[C@@]1(F)CCNC1 ZINC000161497706 522826004 /nfs/dbraw/zinc/82/60/04/522826004.db2.gz ISHWQQQLXNHVOC-CQSZACIVSA-N 0 3 298.314 1.353 20 70 CDIDHN NC(=O)C[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160931334 526907998 /nfs/dbraw/zinc/90/79/98/526907998.db2.gz JVZQCMCQGXGKJU-GFCCVEGCSA-N 0 3 272.352 1.422 20 70 CDIDHN CCCCn1ncc(C(=O)NC2CCN(C)CC2)c1C ZINC000161075993 529092733 /nfs/dbraw/zinc/09/27/33/529092733.db2.gz OFGKQVCKDXVEKP-UHFFFAOYSA-N 0 3 278.400 1.816 20 70 CDIDHN CCN(C)CCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159589952 361738078 /nfs/dbraw/zinc/73/80/78/361738078.db2.gz LWTLUCYZHLGARK-OLZOCXBDSA-N 0 3 269.389 1.195 20 70 CDIDHN CSCC[C@@H](N)C(=O)NCCOC1CCCCCC1 ZINC000160088735 362022203 /nfs/dbraw/zinc/02/22/03/362022203.db2.gz ZORYFLVQDTVCEY-CYBMUJFWSA-N 0 3 288.457 1.922 20 70 CDIDHN COc1cc(CN[C@H](C)CN(C)C)cc2c1OCO2 ZINC000159911681 362379883 /nfs/dbraw/zinc/37/98/83/362379883.db2.gz IVKYVGNEFPFSDI-SNVBAGLBSA-N 0 3 266.341 1.464 20 70 CDIDHN Cc1cc(C)c(C(=O)NC[C@H](O)CN2CCCCC2)[nH]1 ZINC000159906085 237159761 /nfs/dbraw/zinc/15/97/61/237159761.db2.gz ULFLYWVYRHYKFE-ZDUSSCGKSA-N 0 3 279.384 1.208 20 70 CDIDHN CCSCCN1CCC(N2CCNC2=O)CC1 ZINC000159416276 361700193 /nfs/dbraw/zinc/70/01/93/361700193.db2.gz LZNSCRXGJBPILF-UHFFFAOYSA-N 0 3 257.403 1.229 20 70 CDIDHN CCN(CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000160495344 363942826 /nfs/dbraw/zinc/94/28/26/363942826.db2.gz SYOFIPRSISXTMA-JSGCOSHPSA-N 0 3 283.416 1.273 20 70 CDIDHN CCN1CCCN(C(=O)NCc2nccs2)CC1 ZINC000159696285 364252127 /nfs/dbraw/zinc/25/21/27/364252127.db2.gz DMWFHTUZNRSIPL-UHFFFAOYSA-N 0 3 268.386 1.380 20 70 CDIDHN CCN(C(=O)CNCC1CC1)c1nc(C)cs1 ZINC000160175718 364314349 /nfs/dbraw/zinc/31/43/49/364314349.db2.gz TWTFSYPUZRECQU-UHFFFAOYSA-N 0 3 253.371 1.804 20 70 CDIDHN CC(C(=O)N1CCc2c(F)cccc2C1)S(C)(=O)=O ZINC000161112704 364450209 /nfs/dbraw/zinc/45/02/09/364450209.db2.gz XJVRPZUCVUGASB-SECBINFHSA-N 0 3 285.340 1.144 20 70 CDIDHN COc1ccc(CN(C)CC(C)(CO)CO)cc1Cl ZINC000161463358 364496380 /nfs/dbraw/zinc/49/63/80/364496380.db2.gz ZSLXRBBCUFMHLV-UHFFFAOYSA-N 0 3 287.787 1.771 20 70 CDIDHN Cc1cc(C(=O)NC[C@H]2CCCN2CC(C)C)on1 ZINC000160510055 370083239 /nfs/dbraw/zinc/08/32/39/370083239.db2.gz VHFOERTWIVYMCY-GFCCVEGCSA-N 0 3 265.357 1.833 20 70 CDIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc3c2OCO3)C1 ZINC000161084555 377131067 /nfs/dbraw/zinc/13/10/67/377131067.db2.gz FMLMGKKSQXYWPU-YPMHNXCESA-N 0 3 290.363 1.874 20 70 CDIDHN CC(=O)NC1CCC(NCC(=O)NC2CCCCC2)CC1 ZINC000161435996 377226162 /nfs/dbraw/zinc/22/61/62/377226162.db2.gz RGUAUAOLAXXGJG-UHFFFAOYSA-N 0 3 295.427 1.472 20 70 CDIDHN OCCCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161206912 377481175 /nfs/dbraw/zinc/48/11/75/377481175.db2.gz YGTGSKTYTVTCCC-LLVKDONJSA-N 0 3 269.307 1.784 20 70 CDIDHN CCOC(=O)NCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000159446413 390939796 /nfs/dbraw/zinc/93/97/96/390939796.db2.gz NHCNLSFMXWJJNW-OLZOCXBDSA-N 0 3 297.399 1.208 20 70 CDIDHN COCCNCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000159896716 390941963 /nfs/dbraw/zinc/94/19/63/390941963.db2.gz YCXYWZDQKPABCU-CABCVRRESA-N 0 3 290.407 1.935 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000160588078 519589686 /nfs/dbraw/zinc/58/96/86/519589686.db2.gz NDIYDLAMUDYFBS-CQSZACIVSA-N 0 3 297.443 1.387 20 70 CDIDHN COc1ccccc1O[C@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000161158858 524692261 /nfs/dbraw/zinc/69/22/61/524692261.db2.gz IYTUSAAABDVSDW-IAQYHMDHSA-N 0 3 296.342 1.280 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@H](C)C1CCOCC1 ZINC000159702710 528897797 /nfs/dbraw/zinc/89/77/97/528897797.db2.gz BJRCFMSWNQYBTB-CYBMUJFWSA-N 0 3 285.432 1.783 20 70 CDIDHN CCC[C@H](N)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159739953 361820906 /nfs/dbraw/zinc/82/09/06/361820906.db2.gz JTBRXRMKQVBHGR-ZDUSSCGKSA-N 0 3 295.358 1.189 20 70 CDIDHN CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612594 282184388 /nfs/dbraw/zinc/18/43/88/282184388.db2.gz XTUHSQYGYXOUDX-KFWWJZLASA-N 0 3 295.427 1.680 20 70 CDIDHN C[C@@H](CO)CNCc1cncc(Br)c1 ZINC000160582847 362451522 /nfs/dbraw/zinc/45/15/22/362451522.db2.gz YBFFHMIZQSLFCM-MRVPVSSYSA-N 0 3 259.147 1.562 20 70 CDIDHN C[C@H](O)CCNCc1cncc(Br)c1 ZINC000160581967 362451764 /nfs/dbraw/zinc/45/17/64/362451764.db2.gz OFJFLVYWNPDGQV-QMMMGPOBSA-N 0 3 259.147 1.705 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2C=CCCC2)CC1 ZINC000159976783 362926510 /nfs/dbraw/zinc/92/65/10/362926510.db2.gz AMKFHVHSKPZJQB-CYBMUJFWSA-N 0 3 251.374 1.832 20 70 CDIDHN CN(CC1CCOCC1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000159788534 363306652 /nfs/dbraw/zinc/30/66/52/363306652.db2.gz RAJMSCUIZWDQMV-CQSZACIVSA-N 0 3 283.416 1.396 20 70 CDIDHN CN1CCC[C@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000159807411 363329457 /nfs/dbraw/zinc/32/94/57/363329457.db2.gz VPUONYIKSPGISS-GFCCVEGCSA-N 0 3 265.401 1.818 20 70 CDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000160514447 363966144 /nfs/dbraw/zinc/96/61/44/363966144.db2.gz UGFRNDUVJYGALY-MNOVXSKESA-N 0 3 269.389 1.731 20 70 CDIDHN COc1cccc(C2(CNC(=O)[C@H](C)N)CCCC2)c1 ZINC000159476455 364215473 /nfs/dbraw/zinc/21/54/73/364215473.db2.gz LTEDJUQJYAHGNG-LBPRGKRZSA-N 0 3 276.380 1.970 20 70 CDIDHN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCn1ccnc1 ZINC000159858749 364275122 /nfs/dbraw/zinc/27/51/22/364275122.db2.gz VYTSCJNALNLEPP-CYBMUJFWSA-N 0 3 294.399 1.872 20 70 CDIDHN C[C@H](NCCCN1CCCC1=O)c1cnn(C)c1 ZINC000159517660 364227086 /nfs/dbraw/zinc/22/70/86/364227086.db2.gz XEWCZOQHLILMKO-NSHDSACASA-N 0 3 250.346 1.083 20 70 CDIDHN O=C(NCCN1CCCCC1)[C@H](O)c1ccccc1 ZINC000159537839 364230946 /nfs/dbraw/zinc/23/09/46/364230946.db2.gz PQLYMHXQXKSPFL-CQSZACIVSA-N 0 3 262.353 1.322 20 70 CDIDHN CNCC(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000160508912 364364999 /nfs/dbraw/zinc/36/49/99/364364999.db2.gz YGNPAJGCOMWHBT-MFKMUULPSA-N 0 3 266.316 1.334 20 70 CDIDHN C[C@H](NC1CCN(CC(=O)N(C)C)CC1)c1cncs1 ZINC000160385376 364344289 /nfs/dbraw/zinc/34/42/89/364344289.db2.gz HGXXJTPZLSEFEJ-NSHDSACASA-N 0 3 296.440 1.346 20 70 CDIDHN O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1CCCCN1 ZINC000160412152 377062202 /nfs/dbraw/zinc/06/22/02/377062202.db2.gz SATHNXOWOGAFTP-GFCCVEGCSA-N 0 3 273.336 1.652 20 70 CDIDHN O=C(CC1CCCCC1)NCC1CCN(CCO)CC1 ZINC000160600995 377097851 /nfs/dbraw/zinc/09/78/51/377097851.db2.gz VMTVEPGNGJEBLY-UHFFFAOYSA-N 0 3 282.428 1.777 20 70 CDIDHN Cc1ccc(F)cc1C(=O)NCC1CCN(CCO)CC1 ZINC000160695367 377101709 /nfs/dbraw/zinc/10/17/09/377101709.db2.gz MTQKKXOTEKLYMZ-UHFFFAOYSA-N 0 3 294.370 1.568 20 70 CDIDHN CCCN(C)S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000161332438 377187737 /nfs/dbraw/zinc/18/77/37/377187737.db2.gz FKTZEFKFTWTGFL-UHFFFAOYSA-N 0 3 291.461 1.285 20 70 CDIDHN COCCC1(C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000161481203 292286990 /nfs/dbraw/zinc/28/69/90/292286990.db2.gz IRRSUDBBDLBAKP-LBPRGKRZSA-N 0 3 254.374 1.356 20 70 CDIDHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000161178264 264272839 /nfs/dbraw/zinc/27/28/39/264272839.db2.gz CSXFDGMJRWDBLX-RWMBFGLXSA-N 0 3 270.417 1.927 20 70 CDIDHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000161187955 264272945 /nfs/dbraw/zinc/27/29/45/264272945.db2.gz NXHVZHGVMLOFLH-PKFCDNJMSA-N 0 3 280.416 1.458 20 70 CDIDHN CC(C)[C@H](C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160576027 280200009 /nfs/dbraw/zinc/20/00/09/280200009.db2.gz FVRZVNRFEIOMDQ-NFFDBFGFSA-N 0 3 282.428 1.927 20 70 CDIDHN C[C@H](CNC(=O)[C@]1(F)CCNC1)Sc1ccccc1 ZINC000161121099 289684837 /nfs/dbraw/zinc/68/48/37/289684837.db2.gz CJKQTGSGPKMGQK-RISCZKNCSA-N 0 3 282.384 1.985 20 70 CDIDHN O=C(C[C@H]1CNCCO1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161220382 303651605 /nfs/dbraw/zinc/65/16/05/303651605.db2.gz KPEGCQXMYIGYDL-GJZGRUSLSA-N 0 3 296.411 1.315 20 70 CDIDHN COc1ccccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160559964 524350471 /nfs/dbraw/zinc/35/04/71/524350471.db2.gz NIJZIUCVXHZYBE-UHFFFAOYSA-N 0 3 292.379 1.129 20 70 CDIDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H](C)N ZINC000161057705 361752341 /nfs/dbraw/zinc/75/23/41/361752341.db2.gz VFGPOWJDADQTAY-PTRXPTGYSA-N 0 3 270.760 1.879 20 70 CDIDHN NC1(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000161202815 361918995 /nfs/dbraw/zinc/91/89/95/361918995.db2.gz UUJLDGFUGGLQAC-UHFFFAOYSA-N 0 3 279.287 1.312 20 70 CDIDHN CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)N(C)C ZINC000160818596 539116940 /nfs/dbraw/zinc/11/69/40/539116940.db2.gz OFTAFWXGMSSMEK-KGLIPLIRSA-N 0 3 295.427 1.234 20 70 CDIDHN Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cn1 ZINC000161331045 539117569 /nfs/dbraw/zinc/11/75/69/539117569.db2.gz WDRPYWCMAMAZOD-CQSZACIVSA-N 0 3 272.352 1.868 20 70 CDIDHN CCc1cccc2c(CCNC(=O)[C@H](C)N)c[nH]c21 ZINC000159370726 364193177 /nfs/dbraw/zinc/19/31/77/364193177.db2.gz SETIMPJUVIQYDT-JTQLQIEISA-N 0 3 259.353 1.736 20 70 CDIDHN Cc1cc(NC(=O)[C@H](C)N)ccc1C(=O)NC(C)C ZINC000159495973 364220704 /nfs/dbraw/zinc/22/07/04/364220704.db2.gz VUJGVQPUHZRUIH-JTQLQIEISA-N 0 3 263.341 1.419 20 70 CDIDHN O=C(Cc1ccc(F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000160254747 364325885 /nfs/dbraw/zinc/32/58/85/364325885.db2.gz DDLUTSPOQIUILV-OAHLLOKOSA-N 0 3 294.370 1.331 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](COC)c2ccco2)CC1 ZINC000159939345 364283096 /nfs/dbraw/zinc/28/30/96/364283096.db2.gz SMLJNSDWWZLHSG-ZDUSSCGKSA-N 0 3 295.383 1.704 20 70 CDIDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160420838 364351134 /nfs/dbraw/zinc/35/11/34/364351134.db2.gz WFFWSXAUJMRHGL-SNVBAGLBSA-N 0 3 296.346 1.006 20 70 CDIDHN CC[C@@H](C(=O)NCCc1nc(C)c(C)s1)N(C)C ZINC000161046998 364441061 /nfs/dbraw/zinc/44/10/61/364441061.db2.gz GALGOIIDRPALDM-NSHDSACASA-N 0 3 269.414 1.759 20 70 CDIDHN COC[C@@H](Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000161313018 364476549 /nfs/dbraw/zinc/47/65/49/364476549.db2.gz MQYNBJCKVYFDKO-ZIAGYGMSSA-N 0 3 283.393 1.021 20 70 CDIDHN CCC[C@@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161193071 367577766 /nfs/dbraw/zinc/57/77/66/367577766.db2.gz MRUMDVZKBRKNEF-MRVPVSSYSA-N 0 3 264.251 1.511 20 70 CDIDHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)ccc1F ZINC000160603490 377097631 /nfs/dbraw/zinc/09/76/31/377097631.db2.gz HBHSSDPRNDKKJJ-UHFFFAOYSA-N 0 3 294.370 1.568 20 70 CDIDHN CC(C(=O)NCCc1cc2ccccc2[nH]1)S(C)(=O)=O ZINC000159632983 533264153 /nfs/dbraw/zinc/26/41/53/533264153.db2.gz BDOZIQCNOQFNHG-JTQLQIEISA-N 0 3 294.376 1.260 20 70 CDIDHN CCOCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000159963419 292774363 /nfs/dbraw/zinc/77/43/63/292774363.db2.gz XEQGJMSKQMHGNP-UHFFFAOYSA-N 0 3 271.405 1.539 20 70 CDIDHN CC[C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)N(C)C ZINC000160539448 292789432 /nfs/dbraw/zinc/78/94/32/292789432.db2.gz IIBNWBLGUWWWAT-CQSZACIVSA-N 0 3 295.427 1.188 20 70 CDIDHN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCCN1 ZINC000161190620 518201214 /nfs/dbraw/zinc/20/12/14/518201214.db2.gz QRFRYTAHTBNMIH-VIFPVBQESA-N 0 3 276.262 1.526 20 70 CDIDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CN ZINC000161057023 361751469 /nfs/dbraw/zinc/75/14/69/361751469.db2.gz ABRDJFTVLSKKNW-QPUJVOFHSA-N 0 3 256.733 1.491 20 70 CDIDHN CC(C)[C@@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159648143 342367959 /nfs/dbraw/zinc/36/79/59/342367959.db2.gz XKDXDQCWXBTQIS-GDBMZVCRSA-N 0 3 276.380 1.744 20 70 CDIDHN CCCCN(C)CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000161202278 342398059 /nfs/dbraw/zinc/39/80/59/342398059.db2.gz TVBOPQIZICTENY-KBPBESRZSA-N 0 3 285.432 1.521 20 70 CDIDHN C[C@@H](N)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000159380681 358452650 /nfs/dbraw/zinc/45/26/50/358452650.db2.gz YDDRXUJIMGDVQO-KOLCDFICSA-N 0 3 282.315 1.669 20 70 CDIDHN CC[C@H]1Oc2cc([C@@H](C)NC(=O)CNC)ccc2NC1=O ZINC000161371805 362802111 /nfs/dbraw/zinc/80/21/11/362802111.db2.gz LHHOCDBMIKJSCL-BXKDBHETSA-N 0 3 291.351 1.193 20 70 CDIDHN CCCOc1cccc(CC(=O)NCCN(C)C)c1 ZINC000160558738 188480232 /nfs/dbraw/zinc/48/02/32/188480232.db2.gz UXJALCQOAPRNQR-UHFFFAOYSA-N 0 3 264.369 1.696 20 70 CDIDHN CN(CCNC(=O)C[C@H]1COC(=O)C1)Cc1ccccc1 ZINC000161456668 188529717 /nfs/dbraw/zinc/52/97/17/188529717.db2.gz SIZOAVMILSEXLO-CQSZACIVSA-N 0 3 290.363 1.188 20 70 CDIDHN CS[C@H](C)CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000160007862 363571038 /nfs/dbraw/zinc/57/10/38/363571038.db2.gz GUVCNHIOTVSMGF-GMTAPVOTSA-N 0 3 271.430 1.662 20 70 CDIDHN CN(C)Cc1ccc(C(=O)N2CCOC(C)(C)C2)cc1 ZINC000160092883 363659079 /nfs/dbraw/zinc/65/90/79/363659079.db2.gz AQASQPLTGHDKOO-UHFFFAOYSA-N 0 3 276.380 1.999 20 70 CDIDHN CC(C(=O)N(C)C1C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC000160114282 363674656 /nfs/dbraw/zinc/67/46/56/363674656.db2.gz NNAXVXCRPBNWND-FTPDJBBVSA-N 0 3 299.436 1.703 20 70 CDIDHN C[C@H](N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161002374 361617754 /nfs/dbraw/zinc/61/77/54/361617754.db2.gz LSWOKPQVAQKIQO-BYPYZUCNSA-N 0 3 253.249 1.125 20 70 CDIDHN CNCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000159428309 361694845 /nfs/dbraw/zinc/69/48/45/361694845.db2.gz BSCHTIRCPKVKJI-ZWNOBZJWSA-N 0 3 250.317 1.955 20 70 CDIDHN CCc1nc(CNCC(CC)(CC)C(=O)OC)n[nH]1 ZINC000159483384 361711995 /nfs/dbraw/zinc/71/19/95/361711995.db2.gz ODLJHWIMIUAYQJ-UHFFFAOYSA-N 0 3 268.361 1.436 20 70 CDIDHN COCCN(CCN(C)C)C(=O)c1cccc2nc[nH]c21 ZINC000159419468 364202729 /nfs/dbraw/zinc/20/27/29/364202729.db2.gz LSTHCZRYIUEBDW-UHFFFAOYSA-N 0 3 290.367 1.213 20 70 CDIDHN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](N)C1 ZINC000160300011 364331284 /nfs/dbraw/zinc/33/12/84/364331284.db2.gz XFGDDVZNIKSDOG-LLVKDONJSA-N 0 3 296.392 1.042 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(Cl)n1 ZINC000160349307 364337589 /nfs/dbraw/zinc/33/75/89/364337589.db2.gz MUIACIUNTPNQCD-LLVKDONJSA-N 0 3 297.786 1.312 20 70 CDIDHN CC(=O)c1csc(C(=O)N2CCC[C@@H]2CN)c1 ZINC000160146900 364310106 /nfs/dbraw/zinc/31/01/06/364310106.db2.gz QDXLGPIACOLSBP-SNVBAGLBSA-N 0 3 252.339 1.514 20 70 CDIDHN COCCN(C)CCNC(=O)c1cnn(CC(C)C)c1C ZINC000160472558 364357263 /nfs/dbraw/zinc/35/72/63/364357263.db2.gz LCVNFZYDEBIUKA-UHFFFAOYSA-N 0 3 296.415 1.156 20 70 CDIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)N)[C@H](C)CO1 ZINC000161467091 373756803 /nfs/dbraw/zinc/75/68/03/373756803.db2.gz PLRGZSFEYXQAFO-DYEKYZERSA-N 0 3 262.353 1.631 20 70 CDIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)N)[C@@H](C)CO1 ZINC000161467483 373757000 /nfs/dbraw/zinc/75/70/00/373757000.db2.gz PLRGZSFEYXQAFO-SGMGOOAPSA-N 0 3 262.353 1.631 20 70 CDIDHN CCCC(=O)N[C@@H]1CCCN(C[C@](C)(O)CC)C1 ZINC000160817781 377120748 /nfs/dbraw/zinc/12/07/48/377120748.db2.gz MXQMNDABINHDPR-TZMCWYRMSA-N 0 3 256.390 1.528 20 70 CDIDHN CC[C@@H](C(=O)N(C)CC(=O)OC(C)(C)C)N(C)C ZINC000159520394 292761016 /nfs/dbraw/zinc/76/10/16/292761016.db2.gz HYIFWLFPMXCXSL-JTQLQIEISA-N 0 3 258.362 1.127 20 70 CDIDHN CCOC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161403145 520680881 /nfs/dbraw/zinc/68/08/81/520680881.db2.gz WHAWOPYCLWZRFC-GFCCVEGCSA-N 0 3 292.383 1.357 20 70 CDIDHN CCn1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159628989 523387294 /nfs/dbraw/zinc/38/72/94/523387294.db2.gz BZXMILLGQHEMPA-MCIONIFRSA-N 0 3 261.369 1.950 20 70 CDIDHN COCCNCCNCc1csc(Br)c1 ZINC000161500384 523939440 /nfs/dbraw/zinc/93/94/40/523939440.db2.gz FNIQTHYYQXOBAH-UHFFFAOYSA-N 0 3 293.230 1.836 20 70 CDIDHN CC(C)(C)c1n[nH]cc1CN1CCC(CC(N)=O)CC1 ZINC000159810864 361870552 /nfs/dbraw/zinc/87/05/52/361870552.db2.gz WAIWUMSBWDHZFH-UHFFFAOYSA-N 0 3 278.400 1.795 20 70 CDIDHN CCOC[C@H]1CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000160067155 362014791 /nfs/dbraw/zinc/01/47/91/362014791.db2.gz UJICDNMLHRNHPY-NWDGAFQWSA-N 0 3 274.430 1.342 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161244202 362185741 /nfs/dbraw/zinc/18/57/41/362185741.db2.gz HWCLCLXFSSFXBM-JFGNBEQYSA-N 0 3 250.317 1.877 20 70 CDIDHN CCN(CC)CCNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000159586909 363013651 /nfs/dbraw/zinc/01/36/51/363013651.db2.gz LWNNRGFJNLZIHG-AAEUAGOBSA-N 0 3 254.374 1.450 20 70 CDIDHN CCC(CC)(CNCC(=O)N1CCCCCC1)C(=O)OC ZINC000159657053 363146253 /nfs/dbraw/zinc/14/62/53/363146253.db2.gz QZTHGNDQIJXHDC-UHFFFAOYSA-N 0 3 298.427 1.958 20 70 CDIDHN CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CN)cc1 ZINC000160353648 188468212 /nfs/dbraw/zinc/46/82/12/188468212.db2.gz XTLGIHSKYBOIDL-LBPRGKRZSA-N 0 3 296.392 1.044 20 70 CDIDHN CCN1CCN(CCCNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000160441387 358639653 /nfs/dbraw/zinc/63/96/53/358639653.db2.gz XSDXRXFELUIDGA-JKSUJKDBSA-N 0 3 295.471 1.957 20 70 CDIDHN CCN1CCCN(C(=O)NCCCOCC2CC2)CC1 ZINC000159557497 361730114 /nfs/dbraw/zinc/73/01/14/361730114.db2.gz PKHMLJRNYVZDAI-UHFFFAOYSA-N 0 3 283.416 1.540 20 70 CDIDHN COC[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccco1 ZINC000159376578 364195105 /nfs/dbraw/zinc/19/51/05/364195105.db2.gz YFYQIQQWHILDHH-CYBMUJFWSA-N 0 3 297.399 1.949 20 70 CDIDHN CC(C)C(=O)NC[C@H]1CCCN(CCn2ccnc2)C1 ZINC000159791694 364265355 /nfs/dbraw/zinc/26/53/55/364265355.db2.gz IAKDOVRRKRNABK-CQSZACIVSA-N 0 3 278.400 1.367 20 70 CDIDHN O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCNCC1 ZINC000160860765 364421260 /nfs/dbraw/zinc/42/12/60/364421260.db2.gz HMUTXLJERBDOIS-RYUDHWBXSA-N 0 3 280.318 1.890 20 70 CDIDHN CCn1cc([C@@H](C)N[C@@H](CCO)CSC)cn1 ZINC000160294338 364637517 /nfs/dbraw/zinc/63/75/17/364637517.db2.gz SFKKFWFFCVODSJ-PWSUYJOCSA-N 0 3 257.403 1.668 20 70 CDIDHN CC(C)N1C[C@H](NC(=O)c2cccc3c2OCO3)[C@@H](C)C1 ZINC000161084686 377131652 /nfs/dbraw/zinc/13/16/52/377131652.db2.gz FMLMGKKSQXYWPU-AAEUAGOBSA-N 0 3 290.363 1.874 20 70 CDIDHN C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)N1CCC(C)CC1 ZINC000161210967 377481813 /nfs/dbraw/zinc/48/18/13/377481813.db2.gz SIWKWSURBAEUBH-HOCLYGCPSA-N 0 3 297.443 1.663 20 70 CDIDHN C[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000161189062 264272301 /nfs/dbraw/zinc/27/23/01/264272301.db2.gz LZGOIDVPFUBZDU-MUWHJKNJSA-N 0 3 264.222 1.893 20 70 CDIDHN C[C@H](CN1CCCCC1)NC(=O)N(C)CC1CCOCC1 ZINC000159727197 292766762 /nfs/dbraw/zinc/76/67/62/292766762.db2.gz BUBBZBSILTVOGF-CQSZACIVSA-N 0 3 297.443 1.929 20 70 CDIDHN CC(C)c1cc(CNC(=O)[C@H](N)Cc2ccccc2)on1 ZINC000160149227 482785860 /nfs/dbraw/zinc/78/58/60/482785860.db2.gz XJIBNEKFEPRYTR-CQSZACIVSA-N 0 3 287.363 1.984 20 70 CDIDHN CC[C@H](COC)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160560745 522256257 /nfs/dbraw/zinc/25/62/57/522256257.db2.gz NXJWYEDMCFRFDQ-MCYUEQNJSA-N 0 3 284.400 1.060 20 70 CDIDHN O=C(CCC1CCCC1)NCC1CCN(CCO)CC1 ZINC000160581178 526403427 /nfs/dbraw/zinc/40/34/27/526403427.db2.gz XZLLSIKQQMWYNA-UHFFFAOYSA-N 0 3 282.428 1.777 20 70 CDIDHN CC(C)(O)CN1CCN(Cc2cnc3ccccn23)CC1 ZINC000159673772 361772328 /nfs/dbraw/zinc/77/23/28/361772328.db2.gz JFWLANJBDVFWJZ-UHFFFAOYSA-N 0 3 288.395 1.223 20 70 CDIDHN COCc1ccc(CNCCC(=O)N2CCOCC2)cc1 ZINC000159368935 362315637 /nfs/dbraw/zinc/31/56/37/362315637.db2.gz KLPPQFRUNOQMNJ-UHFFFAOYSA-N 0 3 292.379 1.172 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)NC1(c2cccc(Cl)c2)CC1 ZINC000160522628 188477979 /nfs/dbraw/zinc/47/79/79/188477979.db2.gz LAWNTBMCZJQYFJ-CYBMUJFWSA-N 0 3 294.782 1.824 20 70 CDIDHN C[C@@H]1C[C@H](NC(=O)N(C)CC2CCOCC2)CN1C1CC1 ZINC000159855613 363381334 /nfs/dbraw/zinc/38/13/34/363381334.db2.gz NMFUNRDMWJLECS-OCCSQVGLSA-N 0 3 295.427 1.680 20 70 CDIDHN CC(C)N(C)CC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159991177 363557993 /nfs/dbraw/zinc/55/79/93/363557993.db2.gz RTHGFFSHGFMWOT-UHFFFAOYSA-N 0 3 299.459 1.143 20 70 CDIDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCCN1CCCCC1 ZINC000161358901 358797210 /nfs/dbraw/zinc/79/72/10/358797210.db2.gz VXNVRDRDTQEUJC-KGLIPLIRSA-N 0 3 290.473 1.616 20 70 CDIDHN Cc1noc(Cl)c1CC(=O)NCCN1CCCCC1 ZINC000160246249 363792805 /nfs/dbraw/zinc/79/28/05/363792805.db2.gz GKSJWFVKLNNEET-UHFFFAOYSA-N 0 3 285.775 1.781 20 70 CDIDHN CC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160392029 363843225 /nfs/dbraw/zinc/84/32/25/363843225.db2.gz SIUWNVYBPBMBQE-GXTWGEPZSA-N 0 3 264.344 1.954 20 70 CDIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000159713857 364255433 /nfs/dbraw/zinc/25/54/33/364255433.db2.gz AJVKBRPDFLZRCB-GWCFXTLKSA-N 0 3 294.399 1.788 20 70 CDIDHN CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315539 364333642 /nfs/dbraw/zinc/33/36/42/364333642.db2.gz VAUJCMSIPPFRIM-STQMWFEESA-N 0 3 274.372 1.376 20 70 CDIDHN C[C@@H](CO)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160101033 364306036 /nfs/dbraw/zinc/30/60/36/364306036.db2.gz OOUWMJCXFGCSPU-GUTXKFCHSA-N 0 3 291.395 1.329 20 70 CDIDHN CC[C@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1 ZINC000160781331 364407961 /nfs/dbraw/zinc/40/79/61/364407961.db2.gz ASYYCTFCRUVGTQ-MELADBBJSA-N 0 3 280.343 1.899 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160144113 377051047 /nfs/dbraw/zinc/05/10/47/377051047.db2.gz WNPANXPXAFYCRI-KGLIPLIRSA-N 0 3 289.379 1.282 20 70 CDIDHN COCCNCC(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000160556456 377087257 /nfs/dbraw/zinc/08/72/57/377087257.db2.gz UPADMCYBWUGPHH-CYBMUJFWSA-N 0 3 294.395 1.541 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@]2(C)CCCO2)CC1 ZINC000159964045 276366795 /nfs/dbraw/zinc/36/67/95/276366795.db2.gz YPOYKGBOXHLBRQ-AWEZNQCLSA-N 0 3 269.389 1.293 20 70 CDIDHN CC[C@@H](C(=O)N[C@H]1CCC[C@H]2OCC[C@@H]21)N(C)C ZINC000159777778 276409640 /nfs/dbraw/zinc/40/96/40/276409640.db2.gz BYSNUERJDLCHQK-MROQNXINSA-N 0 3 254.374 1.400 20 70 CDIDHN CN(CC1CCOCC1)C(=O)NC1CCN(C)CC1 ZINC000159708404 292766786 /nfs/dbraw/zinc/76/67/86/292766786.db2.gz TUUOEBWXYDMILB-UHFFFAOYSA-N 0 3 269.389 1.149 20 70 CDIDHN CCCCCC(=O)NCC1CCN(CCO)CC1 ZINC000160620306 519929495 /nfs/dbraw/zinc/92/94/95/519929495.db2.gz HBHUTFLEUGFEGF-UHFFFAOYSA-N 0 3 256.390 1.387 20 70 CDIDHN CCc1nnc(CN[C@H](CCO)C2CCCCC2)[nH]1 ZINC000160556986 522356517 /nfs/dbraw/zinc/35/65/17/522356517.db2.gz DYBHTWJFICAZSH-GFCCVEGCSA-N 0 3 266.389 1.788 20 70 CDIDHN CCc1nnc(C[NH2+][C@H](CCO)C2CCCCC2)[n-]1 ZINC000160556986 522356526 /nfs/dbraw/zinc/35/65/26/522356526.db2.gz DYBHTWJFICAZSH-GFCCVEGCSA-N 0 3 266.389 1.788 20 70 CDIDHN O=C(Cc1cccc(F)c1)NC[C@@H](O)CN1CCCCC1 ZINC000160006328 534730446 /nfs/dbraw/zinc/73/04/46/534730446.db2.gz GMPMUTSOBOFYCS-OAHLLOKOSA-N 0 3 294.370 1.331 20 70 CDIDHN CCN1CCC[C@H]1CNC(=O)NCCCC(=O)OC(C)C ZINC000159746117 361824108 /nfs/dbraw/zinc/82/41/08/361824108.db2.gz ITTIBVCKNQIXDM-ZDUSSCGKSA-N 0 3 299.415 1.502 20 70 CDIDHN C[C@@H](NC(=O)[C@@H]1CCCCN1)C(=O)Nc1ccccc1 ZINC000159892699 361900876 /nfs/dbraw/zinc/90/08/76/361900876.db2.gz CFDMQBHXOHCIRW-YPMHNXCESA-N 0 3 275.352 1.272 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@H]2CCCS2)CC1 ZINC000159970455 361983367 /nfs/dbraw/zinc/98/33/67/361983367.db2.gz DNJAHAAJJZJDOE-GFCCVEGCSA-N 0 3 271.430 1.619 20 70 CDIDHN CO[C@]1(CN[C@@H]2CCCc3cccnc32)CCOC1 ZINC000160126258 539115416 /nfs/dbraw/zinc/11/54/16/539115416.db2.gz FRELQUAHAVZJOE-HIFRSBDPSA-N 0 3 262.353 1.854 20 70 CDIDHN CCOC[C@@H]1CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000160067000 362014219 /nfs/dbraw/zinc/01/42/19/362014219.db2.gz UJICDNMLHRNHPY-VXGBXAGGSA-N 0 3 274.430 1.342 20 70 CDIDHN Cc1nnc2c(N[C@@H]3CCN(C)[C@@H](C)C3)nccn12 ZINC000218058038 282342623 /nfs/dbraw/zinc/34/26/23/282342623.db2.gz NTTIWCHJXXWSGJ-GXSJLCMTSA-N 0 3 260.345 1.327 20 70 CDIDHN CN1CCC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000160995713 530056254 /nfs/dbraw/zinc/05/62/54/530056254.db2.gz GPDPXCGADVTHMN-OAHLLOKOSA-N 0 3 271.364 1.921 20 70 CDIDHN C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)N(C)C1CC1 ZINC000159799021 363315638 /nfs/dbraw/zinc/31/56/38/363315638.db2.gz NCHPUIOLDUEMPX-IJLUTSLNSA-N 0 3 283.416 1.724 20 70 CDIDHN Cc1nc2ccccn2c1CN1CCO[C@H](CN(C)C)C1 ZINC000160118214 363675871 /nfs/dbraw/zinc/67/58/71/363675871.db2.gz RNIBBYRLXPZEIL-CQSZACIVSA-N 0 3 288.395 1.405 20 70 CDIDHN CCC[C@@H]1CN(C(=O)NCCN2CCC[C@H](C)C2)CCO1 ZINC000160219897 363765480 /nfs/dbraw/zinc/76/54/80/363765480.db2.gz NZWOKLCDBVWMTB-LSDHHAIUSA-N 0 3 297.443 1.929 20 70 CDIDHN CCOCCCNC(=O)N1CCCN(CC)CC1 ZINC000159516271 361725170 /nfs/dbraw/zinc/72/51/70/361725170.db2.gz FDLRJKJHSQFGBE-UHFFFAOYSA-N 0 3 257.378 1.150 20 70 CDIDHN CC[NH+](CC)CCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000159587331 364238354 /nfs/dbraw/zinc/23/83/54/364238354.db2.gz QJXGVKBLPNYROA-UHFFFAOYSA-N 0 3 296.367 1.481 20 70 CDIDHN CN(CC(C)(C)C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000160316345 364334920 /nfs/dbraw/zinc/33/49/20/364334920.db2.gz KKVIMIUVBBSEIB-ZDUSSCGKSA-N 0 3 278.400 1.893 20 70 CDIDHN CCN1CCC[C@H]1CNC(=O)NCCc1ccncc1C ZINC000161501690 364503834 /nfs/dbraw/zinc/50/38/34/364503834.db2.gz IIFMYFWGFBOTKD-HNNXBMFYSA-N 0 3 290.411 1.716 20 70 CDIDHN CNC(=O)c1cccc(CCNC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000160368948 391509128 /nfs/dbraw/zinc/50/91/28/391509128.db2.gz FKQVGMSUYHIZCW-CYBMUJFWSA-N 0 3 291.395 1.078 20 70 CDIDHN CCCn1nccc1CNCCC(=O)NC(C)(C)C ZINC000160204437 482788577 /nfs/dbraw/zinc/78/85/77/482788577.db2.gz WCAZJOLWLGSNMI-UHFFFAOYSA-N 0 3 266.389 1.688 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCCS1 ZINC000159583778 528894174 /nfs/dbraw/zinc/89/41/74/528894174.db2.gz ITTWIIXAOLLYGU-GFCCVEGCSA-N 0 3 273.446 1.864 20 70 CDIDHN CNC(=O)CN1CCC(NCc2cc(F)cc(F)c2)CC1 ZINC000159959057 362382337 /nfs/dbraw/zinc/38/23/37/362382337.db2.gz MIZHBPOCNKPKRU-UHFFFAOYSA-N 0 3 297.349 1.265 20 70 CDIDHN COCCNCC(=O)NC[C@@H](C)Cc1cccs1 ZINC000161096315 362964601 /nfs/dbraw/zinc/96/46/01/362964601.db2.gz JBIDKODJFVWLAG-NSHDSACASA-N 0 3 270.398 1.279 20 70 CDIDHN CC(C)(C)NC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159652349 363132579 /nfs/dbraw/zinc/13/25/79/363132579.db2.gz SKUJFHZPHRHZRN-RYUDHWBXSA-N 0 3 281.400 1.875 20 70 CDIDHN Cc1c(CNC[C@H](O)c2cccc(F)c2)cnn1C ZINC000161055724 360708828 /nfs/dbraw/zinc/70/88/28/360708828.db2.gz RBDNPFNCAOBTLE-AWEZNQCLSA-N 0 3 263.316 1.691 20 70 CDIDHN COCCNCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000159430897 361697174 /nfs/dbraw/zinc/69/71/74/361697174.db2.gz VBRDXWOSGFIGNG-DOMZBBRYSA-N 0 3 294.370 1.971 20 70 CDIDHN C[C@H](CCO)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000159591595 364237678 /nfs/dbraw/zinc/23/76/78/364237678.db2.gz CBHUMMHBHVZACZ-KGLIPLIRSA-N 0 3 293.411 1.577 20 70 CDIDHN CCc1nn(C)c(CC)c1CN1CCC(CC(N)=O)CC1 ZINC000159846289 364273239 /nfs/dbraw/zinc/27/32/39/364273239.db2.gz NWYFUSZAJRNREM-UHFFFAOYSA-N 0 3 292.427 1.632 20 70 CDIDHN CCCn1ccc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc21 ZINC000159852595 364273920 /nfs/dbraw/zinc/27/39/20/364273920.db2.gz BWYABHAOWLAABK-UONOGXRCSA-N 0 3 287.363 1.713 20 70 CDIDHN CC(C)(N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160383030 364343814 /nfs/dbraw/zinc/34/38/14/364343814.db2.gz BGMZMLWOYBOVQA-LBPRGKRZSA-N 0 3 264.344 1.954 20 70 CDIDHN CC(C)c1cc(C(=O)NC[C@@H](O)CN2CCCCC2)[nH]n1 ZINC000159946965 364284219 /nfs/dbraw/zinc/28/42/19/364284219.db2.gz CQUZJWWLCMCLFM-GFCCVEGCSA-N 0 3 294.399 1.110 20 70 CDIDHN COC(=O)N(C)Cc1ccc(NC(=O)[C@H](C)N)cc1 ZINC000160950201 364431999 /nfs/dbraw/zinc/43/19/99/364431999.db2.gz JFHIVTWWJWXERO-VIFPVBQESA-N 0 3 265.313 1.171 20 70 CDIDHN CC(C)n1cccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160006321 376996440 /nfs/dbraw/zinc/99/64/40/376996440.db2.gz AYBWLEWASNCQBM-UHFFFAOYSA-N 0 3 293.411 1.503 20 70 CDIDHN O=C(C[C@@H]1C=CCC1)NCC1CCN(CCO)CC1 ZINC000160574771 377087414 /nfs/dbraw/zinc/08/74/14/377087414.db2.gz SEODDQVADSVKMT-CYBMUJFWSA-N 0 3 266.385 1.163 20 70 CDIDHN CC[C@H](C)CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160467544 287550053 /nfs/dbraw/zinc/55/00/53/287550053.db2.gz ZPFUXPMAFCSSDQ-OZTPJHRESA-N 0 3 268.401 1.681 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@@H]2CCCS2)CC1 ZINC000159970305 279285429 /nfs/dbraw/zinc/28/54/29/279285429.db2.gz DNJAHAAJJZJDOE-LBPRGKRZSA-N 0 3 271.430 1.619 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161022000 519817498 /nfs/dbraw/zinc/81/74/98/519817498.db2.gz TYGZJYNOYVNVMO-QWRKXWFKSA-N 0 3 268.307 1.920 20 70 CDIDHN CCN(CCNCc1ccnn1C)C(=O)OC(C)(C)C ZINC000218320083 535736491 /nfs/dbraw/zinc/73/64/91/535736491.db2.gz UOTREPFBMVHMKG-UHFFFAOYSA-N 0 3 282.388 1.767 20 70 CDIDHN COc1cccc(O[C@@H](C)CNC(=O)[C@@H]2CCCCN2)c1 ZINC000161129610 361876927 /nfs/dbraw/zinc/87/69/27/361876927.db2.gz BIFSGUMXFNYNLB-WFASDCNBSA-N 0 3 292.379 1.721 20 70 CDIDHN CC(C)CNC(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000161380287 539117591 /nfs/dbraw/zinc/11/75/91/539117591.db2.gz JHGKCKIFUPTDJY-CQSZACIVSA-N 0 3 290.411 1.364 20 70 CDIDHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000160083308 362020586 /nfs/dbraw/zinc/02/05/86/362020586.db2.gz PLCLVYCHTVPTPB-BZPMIXESSA-N 0 3 266.385 1.545 20 70 CDIDHN CC[C@H](C(=O)NCC(CC)(CC)CCO)N(C)C ZINC000160910279 362205008 /nfs/dbraw/zinc/20/50/08/362205008.db2.gz OKBIFLCLILZUGX-GFCCVEGCSA-N 0 3 258.406 1.632 20 70 CDIDHN CN(C)C1(CNS(=O)(=O)c2ccc(N)cc2)CCCC1 ZINC000160679541 362467120 /nfs/dbraw/zinc/46/71/20/362467120.db2.gz XFHRBCBBHOMUCQ-UHFFFAOYSA-N 0 3 297.424 1.422 20 70 CDIDHN COc1ccccc1CN1CCC(CC(N)=O)CC1 ZINC000159821404 188442961 /nfs/dbraw/zinc/44/29/61/188442961.db2.gz XBVWMAUUIWPNNT-UHFFFAOYSA-N 0 3 262.353 1.783 20 70 CDIDHN CC[C@H](C(=O)NCCN1c2ccccc2CC1=O)N(C)C ZINC000160140525 188456779 /nfs/dbraw/zinc/45/67/79/188456779.db2.gz UVDWZFBKTIDCQN-CYBMUJFWSA-N 0 3 289.379 1.032 20 70 CDIDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H](C)N ZINC000161058090 188505512 /nfs/dbraw/zinc/50/55/12/188505512.db2.gz VFGPOWJDADQTAY-KBVBSXBZSA-N 0 3 270.760 1.879 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161068152 360764193 /nfs/dbraw/zinc/76/41/93/360764193.db2.gz QKVAMQCTUWLAPJ-MGPQQGTHSA-N 0 3 266.385 1.450 20 70 CDIDHN CCC[C@@H](N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161003747 361611549 /nfs/dbraw/zinc/61/15/49/361611549.db2.gz PLCQTOBDUFLMMA-ZCFIWIBFSA-N 0 3 281.303 1.906 20 70 CDIDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000159362903 364191522 /nfs/dbraw/zinc/19/15/22/364191522.db2.gz BKARMKKWVBQQKY-LLVKDONJSA-N 0 3 272.352 1.729 20 70 CDIDHN CN(C)CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160572907 364375414 /nfs/dbraw/zinc/37/54/14/364375414.db2.gz BQUCTMJKAAPMGU-UHFFFAOYSA-N 0 3 288.355 1.165 20 70 CDIDHN COc1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160687632 364394413 /nfs/dbraw/zinc/39/44/13/364394413.db2.gz HYKUOOMIKZYAHX-LLVKDONJSA-N 0 3 298.408 1.333 20 70 CDIDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160420969 364350709 /nfs/dbraw/zinc/35/07/09/364350709.db2.gz WFFWSXAUJMRHGL-JTQLQIEISA-N 0 3 296.346 1.006 20 70 CDIDHN C[C@@H](C(=O)NCC1CCN(CCO)CC1)c1ccsc1 ZINC000160539234 377084382 /nfs/dbraw/zinc/08/43/82/377084382.db2.gz RLOFGFATTQDQIC-GFCCVEGCSA-N 0 3 296.436 1.672 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1ccccc1Cl ZINC000160609855 377098056 /nfs/dbraw/zinc/09/80/56/377098056.db2.gz ZATUBPQWONGFEI-UHFFFAOYSA-N 0 3 296.798 1.774 20 70 CDIDHN COCC(C)(C)C(=O)NC1CCN(C2CC2)CC1 ZINC000161294954 377562426 /nfs/dbraw/zinc/56/24/26/377562426.db2.gz VITPHTZSDSUNBX-UHFFFAOYSA-N 0 3 254.374 1.402 20 70 CDIDHN O=C(C[C@H]1C=CCC1)NCC1CCN(CCO)CC1 ZINC000160574889 147721180 /nfs/dbraw/zinc/72/11/80/147721180.db2.gz SEODDQVADSVKMT-ZDUSSCGKSA-N 0 3 266.385 1.163 20 70 CDIDHN CC[C@H](N)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000159825817 292770762 /nfs/dbraw/zinc/77/07/62/292770762.db2.gz BHPGNYGKBUTNHC-ZDUSSCGKSA-N 0 3 289.379 1.209 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)NCCN1CCC[C@H](C)C1 ZINC000160588217 519589768 /nfs/dbraw/zinc/58/97/68/519589768.db2.gz NDIYDLAMUDYFBS-AWEZNQCLSA-N 0 3 297.443 1.387 20 70 CDIDHN NC(=O)C[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160931471 526905454 /nfs/dbraw/zinc/90/54/54/526905454.db2.gz JVZQCMCQGXGKJU-LBPRGKRZSA-N 0 3 272.352 1.422 20 70 CDIDHN COCCNCC(=O)N1CCCC[C@@H]1CC(C)C ZINC000160876665 398230991 /nfs/dbraw/zinc/23/09/91/398230991.db2.gz AWWGXRRKFVTCRR-CYBMUJFWSA-N 0 3 256.390 1.650 20 70 CDIDHN CCCCOCCNC(=O)N1CCCN(CC)CC1 ZINC000159775706 361847553 /nfs/dbraw/zinc/84/75/53/361847553.db2.gz IVDBRYWXXCLGAA-UHFFFAOYSA-N 0 3 271.405 1.540 20 70 CDIDHN CCN1CCCN(C(=O)NCCC(=O)OC(C)(C)C)CC1 ZINC000159897952 361903772 /nfs/dbraw/zinc/90/37/72/361903772.db2.gz IENBGIPSNKBJJV-UHFFFAOYSA-N 0 3 299.415 1.455 20 70 CDIDHN COC1CCN(CCNC(=O)CCCn2cccc2)CC1 ZINC000159827928 539114770 /nfs/dbraw/zinc/11/47/70/539114770.db2.gz JXCVHDKRSWJVBP-UHFFFAOYSA-N 0 3 293.411 1.495 20 70 CDIDHN C[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160640869 346184342 /nfs/dbraw/zinc/18/43/42/346184342.db2.gz IBVMNXRMQAOROE-JSGCOSHPSA-N 0 3 265.401 1.912 20 70 CDIDHN CC[C@H]1COCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160742879 346480242 /nfs/dbraw/zinc/48/02/42/346480242.db2.gz NOWVRQUNKUCGOA-KGLIPLIRSA-N 0 3 281.400 1.291 20 70 CDIDHN CCC[C@@H](C(=O)N1CCc2n[nH]cc2C1)N(C)C ZINC000161452783 188528314 /nfs/dbraw/zinc/52/83/14/188528314.db2.gz XFMHLFDFJXIHFV-LBPRGKRZSA-N 0 3 250.346 1.025 20 70 CDIDHN CC(C)(C)CCN1CCN(CCn2ccnc2)CC1 ZINC000159770170 363290277 /nfs/dbraw/zinc/29/02/77/363290277.db2.gz AHOLNMVODPHAFP-UHFFFAOYSA-N 0 3 264.417 1.937 20 70 CDIDHN Cc1cccc([C@H](C)CNC(=O)CNC[C@@H]2CCCO2)c1 ZINC000160734002 237184841 /nfs/dbraw/zinc/18/48/41/237184841.db2.gz PGGSTILTUCVSLI-ZBFHGGJFSA-N 0 3 290.407 1.983 20 70 CDIDHN CCCO[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000159469235 361708315 /nfs/dbraw/zinc/70/83/15/361708315.db2.gz OKNPEJQPSGHNIX-KBPBESRZSA-N 0 3 268.401 1.936 20 70 CDIDHN CC(=O)Nc1ccccc1CN1CCC(CC(N)=O)CC1 ZINC000159829798 364272111 /nfs/dbraw/zinc/27/21/11/364272111.db2.gz VTTZZJPPTOXUKS-UHFFFAOYSA-N 0 3 289.379 1.732 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccccc1Cl ZINC000160150243 364312375 /nfs/dbraw/zinc/31/23/75/364312375.db2.gz CKQXQVBEOSZYAR-GFCCVEGCSA-N 0 3 296.798 1.917 20 70 CDIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC000160428343 364352304 /nfs/dbraw/zinc/35/23/04/364352304.db2.gz DIEXECPDQCWSMZ-GFCCVEGCSA-N 0 3 262.357 1.327 20 70 CDIDHN CC(C)[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160422212 364350498 /nfs/dbraw/zinc/35/04/98/364350498.db2.gz NIUJFVUZCNMWDF-CYBMUJFWSA-N 0 3 261.325 1.493 20 70 CDIDHN CCO[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCC2 ZINC000160994122 286483851 /nfs/dbraw/zinc/48/38/51/286483851.db2.gz VQAYRFDHCQUDCS-GRYCIOLGSA-N 0 3 268.401 1.824 20 70 CDIDHN C[C@H](N)C(=O)N1CCc2cccc(Br)c2C1 ZINC000160916818 274501454 /nfs/dbraw/zinc/50/14/54/274501454.db2.gz DBDUUJHRRIGMKE-QMMMGPOBSA-N 0 3 283.169 1.681 20 70 CDIDHN CC1CCN(C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000160650913 281793189 /nfs/dbraw/zinc/79/31/89/281793189.db2.gz ONKUBDKPHBKHKW-ZDUSSCGKSA-N 0 3 253.390 1.864 20 70 CDIDHN CC[C@H](N)C(=O)NCCc1ccc(OC)cc1Cl ZINC000160606252 292791501 /nfs/dbraw/zinc/79/15/01/292791501.db2.gz ZWMIEZCZPWIHJU-LBPRGKRZSA-N 0 3 270.760 1.745 20 70 CDIDHN COc1cccc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160686798 525817312 /nfs/dbraw/zinc/81/73/12/525817312.db2.gz PPCBBCCKYJTOAN-UHFFFAOYSA-N 0 3 292.379 1.129 20 70 CDIDHN CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCOC1 ZINC000159453855 527940282 /nfs/dbraw/zinc/94/02/82/527940282.db2.gz DSSINIAEIBNZDN-GFCCVEGCSA-N 0 3 257.378 1.005 20 70 CDIDHN CCC[C@@H](N)C(=O)NCCCOc1cccc(OC)c1 ZINC000161360741 528963423 /nfs/dbraw/zinc/96/34/23/528963423.db2.gz PIOJRVDOYOLOFM-CQSZACIVSA-N 0 3 280.368 1.708 20 70 CDIDHN C[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159755098 361828121 /nfs/dbraw/zinc/82/81/21/361828121.db2.gz PKKNEXAQGGHHNV-ZDUSSCGKSA-N 0 3 293.411 1.973 20 70 CDIDHN COCCNCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159806844 361867473 /nfs/dbraw/zinc/86/74/73/361867473.db2.gz YBUBMJPMGPISKJ-JSGCOSHPSA-N 0 3 294.370 1.766 20 70 CDIDHN Cc1cccc([C@H]2CCCN2CC2(CO)COC2)n1 ZINC000160146022 362037910 /nfs/dbraw/zinc/03/79/10/362037910.db2.gz JNTGIISFLJKLCP-CQSZACIVSA-N 0 3 262.353 1.536 20 70 CDIDHN CSCC[C@H](N)C(=O)Nc1ncc(C(C)=O)s1 ZINC000161087851 362042784 /nfs/dbraw/zinc/04/27/84/362042784.db2.gz JRIAEANLJKXEKR-ZETCQYMHSA-N 0 3 273.383 1.365 20 70 CDIDHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H]2CCCC[C@H]2O)C1 ZINC000217495140 342439540 /nfs/dbraw/zinc/43/95/40/342439540.db2.gz UJDYFIDKXPKQHW-JHJVBQTASA-N 0 3 284.400 1.889 20 70 CDIDHN COC(=O)CCN(C[C@@H]1CCCO1)C[C@@H]1CCC(C)(C)O1 ZINC000160827958 362184547 /nfs/dbraw/zinc/18/45/47/362184547.db2.gz OUQPEYHSJRVFMA-KBPBESRZSA-N 0 3 299.411 1.988 20 70 CDIDHN COc1cc(CNCC(C)(C)OC)cc(OC)c1O ZINC000160063233 362390782 /nfs/dbraw/zinc/39/07/82/362390782.db2.gz CCCNUYMRWPTYPI-UHFFFAOYSA-N 0 3 269.341 1.924 20 70 CDIDHN CO[C@@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC2)CC1 ZINC000159733954 362515090 /nfs/dbraw/zinc/51/50/90/362515090.db2.gz KICVHNYRLPWEQL-ZIAGYGMSSA-N 0 3 281.400 1.480 20 70 CDIDHN CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000159636578 363091579 /nfs/dbraw/zinc/09/15/79/363091579.db2.gz DQWHNGKEGYLFFH-CQSZACIVSA-N 0 3 286.379 1.975 20 70 CDIDHN CCCn1nccc1CN[C@@H](C)CN1CCOCC1 ZINC000160009604 482775863 /nfs/dbraw/zinc/77/58/63/482775863.db2.gz HIBGIBMQWRIMBM-ZDUSSCGKSA-N 0 3 266.389 1.103 20 70 CDIDHN NC(=O)CC[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000160328282 357617344 /nfs/dbraw/zinc/61/73/44/357617344.db2.gz GQVYSOFWROZGHC-LBPRGKRZSA-N 0 3 254.374 1.391 20 70 CDIDHN Cc1ncoc1C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000159575506 359347240 /nfs/dbraw/zinc/34/72/40/359347240.db2.gz XDDBWNWZRAHSQI-NSHDSACASA-N 0 3 257.293 1.513 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ncccc2C)CC1 ZINC000159824812 364270576 /nfs/dbraw/zinc/27/05/76/364270576.db2.gz VDKKBNVYNNFBJI-UHFFFAOYSA-N 0 3 276.384 1.627 20 70 CDIDHN CN(Cc1cc(=O)n2ccsc2n1)C[C@@H]1CCC[C@@H]1O ZINC000159831188 364271915 /nfs/dbraw/zinc/27/19/15/364271915.db2.gz BOHOHTXZYFDEQX-JQWIXIFHSA-N 0 3 293.392 1.349 20 70 CDIDHN Cc1c(CNC(=O)NCCN2CCC[C@H](C)C2)cnn1C ZINC000160222758 364321064 /nfs/dbraw/zinc/32/10/64/364321064.db2.gz GSUQNPZZAUERRC-LBPRGKRZSA-N 0 3 293.415 1.260 20 70 CDIDHN CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315432 364333057 /nfs/dbraw/zinc/33/30/57/364333057.db2.gz VAUJCMSIPPFRIM-CHWSQXEVSA-N 0 3 274.372 1.376 20 70 CDIDHN C[C@H](CNC(=O)[C@@H]1CCn2ccnc2C1)N(C)C1CC1 ZINC000161311652 369845251 /nfs/dbraw/zinc/84/52/51/369845251.db2.gz DTILDFHXBICGRB-VXGBXAGGSA-N 0 3 276.384 1.044 20 70 CDIDHN CCN(C)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000160133114 284335426 /nfs/dbraw/zinc/33/54/26/284335426.db2.gz KGDHSVSLLWQBKM-MJBXVCDLSA-N 0 3 295.427 1.585 20 70 CDIDHN CN1CCCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000217539334 392960953 /nfs/dbraw/zinc/96/09/53/392960953.db2.gz NXLVXMWRXLMFTP-MRXNPFEDSA-N 0 3 278.396 1.202 20 70 CDIDHN CC1CCN(C(=O)N2CCC[C@@H]2CN(C)C)CC1 ZINC000160527791 520982641 /nfs/dbraw/zinc/98/26/41/520982641.db2.gz KTQDZKMFHTUQKK-CYBMUJFWSA-N 0 3 253.390 1.864 20 70 CDIDHN CN(C)[C@H]1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612983 522096186 /nfs/dbraw/zinc/09/61/86/522096186.db2.gz XTUHSQYGYXOUDX-KKUMJFAQSA-N 0 3 295.427 1.680 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)c2cnn(C)c2)CC1 ZINC000159898384 361903289 /nfs/dbraw/zinc/90/32/89/361903289.db2.gz VPEPMTFBEXSXAP-LBPRGKRZSA-N 0 3 279.388 1.218 20 70 CDIDHN CCN1CCCN(C(=O)NCC(C)(C)C[C@H](C)O)CC1 ZINC000159905134 361919441 /nfs/dbraw/zinc/91/94/41/361919441.db2.gz VBRUPDDWULNHDL-ZDUSSCGKSA-N 0 3 285.432 1.521 20 70 CDIDHN CCN1CCCN(C(=O)NCc2nc(C)c(C)s2)CC1 ZINC000159932897 539115050 /nfs/dbraw/zinc/11/50/50/539115050.db2.gz QXQHTJVIJRMUGL-UHFFFAOYSA-N 0 3 296.440 1.997 20 70 CDIDHN CC(C)N(C)CC(=O)NCCc1cccc(O)c1 ZINC000160221584 362066596 /nfs/dbraw/zinc/06/65/96/362066596.db2.gz LMTUJQUDUBLBMN-UHFFFAOYSA-N 0 3 250.342 1.391 20 70 CDIDHN Cc1n[nH]c(C)c1CNCCC(=O)N1CCCCC1 ZINC000159739557 362360219 /nfs/dbraw/zinc/36/02/19/362360219.db2.gz RLPCHWQVOHIJSR-UHFFFAOYSA-N 0 3 264.373 1.519 20 70 CDIDHN CN1CCN(C)[C@H](CNCc2ccc(Cl)cc2F)C1 ZINC000160825867 362504284 /nfs/dbraw/zinc/50/42/84/362504284.db2.gz NETZZECBSPVZEK-CYBMUJFWSA-N 0 3 285.794 1.815 20 70 CDIDHN COCCNCC(=O)NC[C@H](C)Cc1cccs1 ZINC000161096429 362964052 /nfs/dbraw/zinc/96/40/52/362964052.db2.gz JBIDKODJFVWLAG-LLVKDONJSA-N 0 3 270.398 1.279 20 70 CDIDHN C[C@H](N)C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160123954 237168675 /nfs/dbraw/zinc/16/86/75/237168675.db2.gz GKKQEQBCEWMYDS-SWLSCSKDSA-N 0 3 276.380 1.934 20 70 CDIDHN CSCC[C@@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000159454118 361703062 /nfs/dbraw/zinc/70/30/62/361703062.db2.gz RMALHZXAUIQSRG-CYBMUJFWSA-N 0 3 284.400 1.955 20 70 CDIDHN CCN1CCC(NC(=O)[C@H](C)C2CCOCC2)CC1 ZINC000160339348 363823665 /nfs/dbraw/zinc/82/36/65/363823665.db2.gz LBUVAEUAUDYKJR-GFCCVEGCSA-N 0 3 268.401 1.650 20 70 CDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000160586357 364064877 /nfs/dbraw/zinc/06/48/77/364064877.db2.gz NUFQLDXVLFJXGC-RYUDHWBXSA-N 0 3 271.405 1.977 20 70 CDIDHN CC[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159397275 364199713 /nfs/dbraw/zinc/19/97/13/364199713.db2.gz YXFUXDKRRBBXSO-QWRGUYRKSA-N 0 3 295.770 1.299 20 70 CDIDHN COCCN(C)CCCNC(=O)NC[C@@H](C)SC ZINC000159638427 364246324 /nfs/dbraw/zinc/24/63/24/364246324.db2.gz SZGPRXMPIQJQMA-LLVKDONJSA-N 0 3 277.434 1.005 20 70 CDIDHN C[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160051135 364299493 /nfs/dbraw/zinc/29/94/93/364299493.db2.gz KXHCGYMIARGMPQ-SECBINFHSA-N 0 3 297.196 1.944 20 70 CDIDHN CCC[C@@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160641211 364388437 /nfs/dbraw/zinc/38/84/37/364388437.db2.gz OHWHFPHVDWKUPN-SECBINFHSA-N 0 3 253.346 1.716 20 70 CDIDHN CC[C@@H](COC)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000161214042 364464281 /nfs/dbraw/zinc/46/42/81/364464281.db2.gz NDYSHUYKXUGNHU-JSGCOSHPSA-N 0 3 264.369 1.706 20 70 CDIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H](O)c1ccccc1 ZINC000161410227 364490081 /nfs/dbraw/zinc/49/00/81/364490081.db2.gz WMSQWAYPWVIRDC-LZWOXQAQSA-N 0 3 290.407 1.957 20 70 CDIDHN Cc1occc1C(=O)NCC1CCN(CCO)CC1 ZINC000160554594 377086623 /nfs/dbraw/zinc/08/66/23/377086623.db2.gz XXFFQLYIYORLJO-UHFFFAOYSA-N 0 3 266.341 1.022 20 70 CDIDHN Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000161511048 377697808 /nfs/dbraw/zinc/69/78/08/377697808.db2.gz QDOWYDAKRWLUFH-NSHDSACASA-N 0 3 263.341 1.167 20 70 CDIDHN CC(C)[C@@H](C(=O)N1CC[C@]2(CCOC2)C1)N(C)C ZINC000159432360 390939880 /nfs/dbraw/zinc/93/98/80/390939880.db2.gz DPNZWRJEYXJJBR-JSGCOSHPSA-N 0 3 254.374 1.212 20 70 CDIDHN COc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c([O-])c1 ZINC000159871110 533284439 /nfs/dbraw/zinc/28/44/39/533284439.db2.gz IHYCCPINZMUYMY-GFCCVEGCSA-N 0 3 264.325 1.210 20 70 CDIDHN CCn1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159628715 361758106 /nfs/dbraw/zinc/75/81/06/361758106.db2.gz BZXMILLGQHEMPA-MJBXVCDLSA-N 0 3 261.369 1.950 20 70 CDIDHN COC[C@@H](NCC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000161003069 362475202 /nfs/dbraw/zinc/47/52/02/362475202.db2.gz BCZKNJITQJYECF-OAHLLOKOSA-N 0 3 294.395 1.572 20 70 CDIDHN CC(C)(C)NC(=O)CNCCCNC(=O)OC(C)(C)C ZINC000159867848 363385064 /nfs/dbraw/zinc/38/50/64/363385064.db2.gz QFBLGGUVKLHILC-UHFFFAOYSA-N 0 3 287.404 1.406 20 70 CDIDHN CN(C)[C@H]1CCCN(C(=O)c2cccc3nc[nH]c32)C1 ZINC000159363042 364191669 /nfs/dbraw/zinc/19/16/69/364191669.db2.gz BKARMKKWVBQQKY-NSHDSACASA-N 0 3 272.352 1.729 20 70 CDIDHN C[C@@H](CCO)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000159591449 364238423 /nfs/dbraw/zinc/23/84/23/364238423.db2.gz CBHUMMHBHVZACZ-KBPBESRZSA-N 0 3 293.411 1.577 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ccc(C)nc2)CC1 ZINC000159645935 364245955 /nfs/dbraw/zinc/24/59/55/364245955.db2.gz BZQIZSFAFVBDFO-UHFFFAOYSA-N 0 3 276.384 1.627 20 70 CDIDHN COCCOc1ccc([C@@H](C)NCCO)cc1OC ZINC000159693889 364252772 /nfs/dbraw/zinc/25/27/72/364252772.db2.gz CQCWSNLSLZXLQI-LLVKDONJSA-N 0 3 269.341 1.363 20 70 CDIDHN Cc1ccccc1[C@@H](O)CNC(=O)[C@H](N)C(C)C ZINC000159844013 364273793 /nfs/dbraw/zinc/27/37/93/364273793.db2.gz QVJMFZNEIHZUTF-QWHCGFSZSA-N 0 3 250.342 1.128 20 70 CDIDHN CCN1CCCN(C(=O)NCCOc2ccccc2)CC1 ZINC000159527253 364228989 /nfs/dbraw/zinc/22/89/89/364228989.db2.gz TVLNDQCQEMWOIM-UHFFFAOYSA-N 0 3 291.395 1.803 20 70 CDIDHN NC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000161036201 364441549 /nfs/dbraw/zinc/44/15/49/364441549.db2.gz KAIFDAYUAFISRU-CYBMUJFWSA-N 0 3 285.351 1.821 20 70 CDIDHN COCCN1CCC(NC(=O)C[C@@H](C)SC)CC1 ZINC000161182303 365523140 /nfs/dbraw/zinc/52/31/40/365523140.db2.gz OYKJLRVOTHOHFD-LLVKDONJSA-N 0 3 274.430 1.355 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160144357 377051032 /nfs/dbraw/zinc/05/10/32/377051032.db2.gz WNPANXPXAFYCRI-KBPBESRZSA-N 0 3 289.379 1.282 20 70 CDIDHN C[C@H](CC(=O)N1CCC[C@@H]1CN)C(=O)c1cccc(F)c1 ZINC000160185570 147711679 /nfs/dbraw/zinc/71/16/79/147711679.db2.gz CDXWKRLYDBOGKT-BXUZGUMPSA-N 0 3 292.354 1.984 20 70 CDIDHN CCN1CCC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000160320796 276167226 /nfs/dbraw/zinc/16/72/26/276167226.db2.gz MKCURJCXDDCPHL-CHWSQXEVSA-N 0 3 276.384 1.046 20 70 CDIDHN C[C@H]([C@H](C)N(C)CCCN1CCCCC1)S(C)(=O)=O ZINC000161358551 290200736 /nfs/dbraw/zinc/20/07/36/290200736.db2.gz VXNVRDRDTQEUJC-UONOGXRCSA-N 0 3 290.473 1.616 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000160453100 520877019 /nfs/dbraw/zinc/87/70/19/520877019.db2.gz XIIILFIFEFDKGP-JQWIXIFHSA-N 0 3 258.362 1.031 20 70 CDIDHN CCN1CCCN(C(=O)NCCOCC(F)(F)F)CC1 ZINC000159589683 529025106 /nfs/dbraw/zinc/02/51/06/529025106.db2.gz YXNWFAARYFGFLN-UHFFFAOYSA-N 0 3 297.321 1.303 20 70 CDIDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](C)N ZINC000161056656 361750333 /nfs/dbraw/zinc/75/03/33/361750333.db2.gz VFGPOWJDADQTAY-YGOYTEALSA-N 0 3 270.760 1.879 20 70 CDIDHN CN(C)c1ccc(CN2CCCC[C@@H]2CCO)cn1 ZINC000159744163 539114707 /nfs/dbraw/zinc/11/47/07/539114707.db2.gz PYLZDXGPOFVYDG-CQSZACIVSA-N 0 3 263.385 1.885 20 70 CDIDHN CCN1CCCN(C(=O)NCCc2ccc(C)nc2)CC1 ZINC000159847647 539114782 /nfs/dbraw/zinc/11/47/82/539114782.db2.gz CFYBSTLVAORVCD-UHFFFAOYSA-N 0 3 290.411 1.670 20 70 CDIDHN CCCCNC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161309314 539117548 /nfs/dbraw/zinc/11/75/48/539117548.db2.gz DYIQWUFJIDDIAS-UHFFFAOYSA-N 0 3 276.384 1.120 20 70 CDIDHN CC(C)C(=O)NC[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000160213952 362057346 /nfs/dbraw/zinc/05/73/46/362057346.db2.gz NJWJWDYFHZJSTK-HNNXBMFYSA-N 0 3 282.428 1.897 20 70 CDIDHN CCN(C)[C@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000159420617 364203465 /nfs/dbraw/zinc/20/34/65/364203465.db2.gz SMSMNGIOKIODLX-AWEZNQCLSA-N 0 3 261.369 1.111 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)c2cccnc2)CC1 ZINC000159547986 364231677 /nfs/dbraw/zinc/23/16/77/364231677.db2.gz AUSQFNANKASJQV-CYBMUJFWSA-N 0 3 276.384 1.880 20 70 CDIDHN c1cn(CCN2CCN(CCc3ccccc3)CC2)cn1 ZINC000159707816 364254933 /nfs/dbraw/zinc/25/49/33/364254933.db2.gz UFQRABKPIYZUAV-UHFFFAOYSA-N 0 3 284.407 1.743 20 70 CDIDHN CC[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160391888 364343871 /nfs/dbraw/zinc/34/38/71/364343871.db2.gz SIUWNVYBPBMBQE-JSGCOSHPSA-N 0 3 264.344 1.954 20 70 CDIDHN NC(=O)C1(NCc2cnc3ccccn23)CCCCC1 ZINC000160975501 377138240 /nfs/dbraw/zinc/13/82/40/377138240.db2.gz IPDCYWIDCDGFHS-UHFFFAOYSA-N 0 3 272.352 1.612 20 70 CDIDHN CC1(C)C[C@@H](NCc2nnc3n2CCCC3)CCO1 ZINC000217319575 424609866 /nfs/dbraw/zinc/60/98/66/424609866.db2.gz NKAFWEDRVDIRJL-NSHDSACASA-N 0 3 264.373 1.662 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cncc(F)c1)CC2 ZINC000160506749 282127629 /nfs/dbraw/zinc/12/76/29/282127629.db2.gz UFUHEMPSMRSQKJ-NOZJJQNGSA-N 0 3 275.331 1.786 20 70 CDIDHN COCCN(C)CCN[C@@H]1CCc2ccc(F)cc21 ZINC000159377265 539041454 /nfs/dbraw/zinc/04/14/54/539041454.db2.gz MAIDFOUWRJXHND-OAHLLOKOSA-N 0 3 266.360 1.981 20 70 CDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc2[nH]cnc21 ZINC000159461670 539114144 /nfs/dbraw/zinc/11/41/44/539114144.db2.gz UMBXNDWFXFYJNN-GFCCVEGCSA-N 0 3 284.363 1.777 20 70 CDIDHN Cc1cc(CNCCC(=O)N2CCOCC2)ccc1F ZINC000159366305 362314848 /nfs/dbraw/zinc/31/48/48/362314848.db2.gz ZAWOPFIWXYSRRW-UHFFFAOYSA-N 0 3 280.343 1.473 20 70 CDIDHN CN(C)CCN(C)c1ccncc1Br ZINC000159963200 362381683 /nfs/dbraw/zinc/38/16/83/362381683.db2.gz DERIYTKWOKJBIK-UHFFFAOYSA-N 0 3 258.163 1.842 20 70 CDIDHN CCN1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000159879352 362549271 /nfs/dbraw/zinc/54/92/71/362549271.db2.gz UGKNQTUDSGBKSW-CQSZACIVSA-N 0 3 269.389 1.027 20 70 CDIDHN C[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000159643154 363112767 /nfs/dbraw/zinc/11/27/67/363112767.db2.gz XCHCFJVYGHDMFR-DOMZBBRYSA-N 0 3 276.380 1.789 20 70 CDIDHN C[C@H]1CCCC[C@@H]1OCCN(C)CC(C)(CO)CO ZINC000159564184 364235472 /nfs/dbraw/zinc/23/54/72/364235472.db2.gz HIQBLKBKHKHDNM-KBPBESRZSA-N 0 3 273.417 1.504 20 70 CDIDHN CSCC[C@H](N)C(=O)NC[C@@H](O)c1ccccc1C ZINC000159844663 364272875 /nfs/dbraw/zinc/27/28/75/364272875.db2.gz KYWDUUHNUWTFDP-QWHCGFSZSA-N 0 3 282.409 1.225 20 70 CDIDHN CC(C)(C)[C@H](NCc1ccc(-n2cccn2)cc1)C(N)=O ZINC000159543104 364230462 /nfs/dbraw/zinc/23/04/62/364230462.db2.gz FSWJZNOKTXURGM-CQSZACIVSA-N 0 3 286.379 1.862 20 70 CDIDHN CNCC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160448848 364354535 /nfs/dbraw/zinc/35/45/35/364354535.db2.gz GQQKRRBHDMTQEG-LBPRGKRZSA-N 0 3 250.298 1.012 20 70 CDIDHN CC1CCN(CCNC(=O)NOCc2cccnc2)CC1 ZINC000161074618 364443306 /nfs/dbraw/zinc/44/33/06/364443306.db2.gz PQZUFWUKJAJCOB-UHFFFAOYSA-N 0 3 292.383 1.544 20 70 CDIDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H](C)N ZINC000161057810 286018002 /nfs/dbraw/zinc/01/80/02/286018002.db2.gz VFGPOWJDADQTAY-LNLATYFQSA-N 0 3 270.760 1.879 20 70 CDIDHN COCCC1(CNC(=O)N(C)CCN2CCCC2)CC1 ZINC000161179384 261239428 /nfs/dbraw/zinc/23/94/28/261239428.db2.gz FXVDLXIRHIOWHY-UHFFFAOYSA-N 0 3 283.416 1.540 20 70 CDIDHN CCC[C@@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000161445383 278881780 /nfs/dbraw/zinc/88/17/80/278881780.db2.gz NYZXUBSLQRHWSE-ZIAGYGMSSA-N 0 3 268.401 1.794 20 70 CDIDHN CCC[C@H](C(=O)NCC1CCN(CCO)CC1)C(C)C ZINC000160007337 292775875 /nfs/dbraw/zinc/77/58/75/292775875.db2.gz ZXYNQWMWTBNJDR-HNNXBMFYSA-N 0 3 284.444 1.879 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160351225 519645187 /nfs/dbraw/zinc/64/51/87/519645187.db2.gz WEXQRJGMJHSIDP-CABCVRRESA-N 0 3 297.443 1.926 20 70 CDIDHN CN(C(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCCN(C)C1 ZINC000160606140 523959082 /nfs/dbraw/zinc/95/90/82/523959082.db2.gz VEUHDUXFTZGGTM-GFCCVEGCSA-N 0 3 287.367 1.135 20 70 CDIDHN C[C@@H](C(=O)N1CCC(O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000159884826 361891379 /nfs/dbraw/zinc/89/13/79/361891379.db2.gz MCMRKCZSSYSAEA-TUAOUCFPSA-N 0 3 254.374 1.231 20 70 CDIDHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)N(C)C ZINC000160818970 539116899 /nfs/dbraw/zinc/11/68/99/539116899.db2.gz OFTAFWXGMSSMEK-UONOGXRCSA-N 0 3 295.427 1.234 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000217488170 535052569 /nfs/dbraw/zinc/05/25/69/535052569.db2.gz BCNJWDHIDRVFTI-UHXUPSOCSA-N 0 3 283.416 1.027 20 70 CDIDHN COCCN1CCC(NC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000159728321 363234442 /nfs/dbraw/zinc/23/44/42/363234442.db2.gz ZKHWDGYTIXWQEX-ZDUSSCGKSA-N 0 3 285.432 1.831 20 70 CDIDHN CS[C@@H](C)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000159868245 363385105 /nfs/dbraw/zinc/38/51/05/363385105.db2.gz FOJBQSNBHDZSBY-UWVGGRQHSA-N 0 3 259.419 1.520 20 70 CDIDHN Cc1cccc([C@@H](C)CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000160735847 237187032 /nfs/dbraw/zinc/18/70/32/237187032.db2.gz YYHPWTUDOKXWLS-DZGCQCFKSA-N 0 3 276.380 1.593 20 70 CDIDHN COCCCN1CCC(NC(=O)C2(CCOC)CC2)CC1 ZINC000161453484 237201149 /nfs/dbraw/zinc/20/11/49/237201149.db2.gz XPUPJNOSTCIUET-UHFFFAOYSA-N 0 3 298.427 1.420 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ccnc(OC)c2)CC1 ZINC000159582600 364238207 /nfs/dbraw/zinc/23/82/07/364238207.db2.gz NYIWTSKHTIJRFT-UHFFFAOYSA-N 0 3 292.383 1.327 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000159693246 364252711 /nfs/dbraw/zinc/25/27/11/364252711.db2.gz TXAKUPQYUILCIV-RBSFLKMASA-N 0 3 297.443 1.926 20 70 CDIDHN NC(=O)CC1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000159743664 364260723 /nfs/dbraw/zinc/26/07/23/364260723.db2.gz VJOXLDPPSLVERJ-UHFFFAOYSA-N 0 3 272.352 1.650 20 70 CDIDHN O=C(NCCN1CCCCC1)c1ccnc(-n2cccn2)c1 ZINC000159892822 364277295 /nfs/dbraw/zinc/27/72/95/364277295.db2.gz IBVHHASKDRSXAT-UHFFFAOYSA-N 0 3 299.378 1.483 20 70 CDIDHN COc1cccc(CCCN2CCNC(=O)CC2)c1 ZINC000160470990 364356730 /nfs/dbraw/zinc/35/67/30/364356730.db2.gz BXTDQQXRVGBYOS-UHFFFAOYSA-N 0 3 262.353 1.450 20 70 CDIDHN CC[C@H](N)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000160953513 364431845 /nfs/dbraw/zinc/43/18/45/364431845.db2.gz DHVQLRMBJABURY-HNNXBMFYSA-N 0 3 289.379 1.873 20 70 CDIDHN C[C@@H](N)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161450084 373752096 /nfs/dbraw/zinc/75/20/96/373752096.db2.gz LEJUYYHOICIBKF-PWSUYJOCSA-N 0 3 278.327 1.594 20 70 CDIDHN COc1ccc(CNC(=O)C2(N)CC2)cc1Cl ZINC000161491578 375633948 /nfs/dbraw/zinc/63/39/48/375633948.db2.gz QEZAHNKQOHDGPT-UHFFFAOYSA-N 0 3 254.717 1.456 20 70 CDIDHN NC[C@H]1CCCN1C(=O)CCC(=O)c1cccs1 ZINC000160125954 377048185 /nfs/dbraw/zinc/04/81/85/377048185.db2.gz KODAWGGOFLAQSP-SNVBAGLBSA-N 0 3 266.366 1.661 20 70 CDIDHN COCCNCC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160544255 377085149 /nfs/dbraw/zinc/08/51/49/377085149.db2.gz OGASHJQLAOZJRM-UHFFFAOYSA-N 0 3 280.343 1.210 20 70 CDIDHN CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCCCC1 ZINC000159919661 390942330 /nfs/dbraw/zinc/94/23/30/390942330.db2.gz BEERYHVUJFYBLZ-XHSDSOJGSA-N 0 3 293.455 1.850 20 70 CDIDHN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@H](C)N)cc1 ZINC000161099672 292279401 /nfs/dbraw/zinc/27/94/01/292279401.db2.gz IDBGWMBVYGWQFJ-AEGPPILISA-N 0 3 276.380 1.926 20 70 CDIDHN Cc1cccc(OC[C@@H](O)CNCCOC(C)C)c1 ZINC000160199007 482788864 /nfs/dbraw/zinc/78/88/64/482788864.db2.gz UZNSDNKQLJCNQC-AWEZNQCLSA-N 0 3 267.369 1.749 20 70 CDIDHN CCCN1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000160380447 519851886 /nfs/dbraw/zinc/85/18/86/519851886.db2.gz JPVYMXVRMNTVJY-UHFFFAOYSA-N 0 3 276.384 1.456 20 70 CDIDHN Cc1cccc([C@@H]2CCCN2CCC(=O)NC(N)=O)n1 ZINC000160002787 361998689 /nfs/dbraw/zinc/99/86/89/361998689.db2.gz GXOSODZALCHOOV-LBPRGKRZSA-N 0 3 276.340 1.112 20 70 CDIDHN CO[C@]1(CNCc2cnc3ccccc3n2)CCOC1 ZINC000160142272 362397481 /nfs/dbraw/zinc/39/74/81/362397481.db2.gz ATMDJYSHCBSKOR-HNNXBMFYSA-N 0 3 273.336 1.525 20 70 CDIDHN COCCOCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000161111209 362675115 /nfs/dbraw/zinc/67/51/15/362675115.db2.gz OMDZZRUQPFVQBU-UHFFFAOYSA-N 0 3 280.368 1.141 20 70 CDIDHN CS[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000160007984 363572724 /nfs/dbraw/zinc/57/27/24/363572724.db2.gz GUVCNHIOTVSMGF-HBNTYKKESA-N 0 3 271.430 1.662 20 70 CDIDHN C[C@@H](CNC(=O)[C@]1(F)CCNC1)Oc1ccccc1F ZINC000161164218 358789352 /nfs/dbraw/zinc/78/93/52/358789352.db2.gz QQENDWVNYQJGQN-HZMBPMFUSA-N 0 3 284.306 1.411 20 70 CDIDHN C[C@@H](NC(=O)[C@H](C)N)c1cccc(-n2cccn2)c1 ZINC000160567417 359652296 /nfs/dbraw/zinc/65/22/96/359652296.db2.gz ZQABAOBVFJXDJC-WDEREUQCSA-N 0 3 258.325 1.397 20 70 CDIDHN C[C@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160970637 360216293 /nfs/dbraw/zinc/21/62/93/360216293.db2.gz JGXWHRFIYUTEJO-GXFFZTMASA-N 0 3 264.369 1.481 20 70 CDIDHN CCN1CCC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000160320691 361423215 /nfs/dbraw/zinc/42/32/15/361423215.db2.gz MKCURJCXDDCPHL-OLZOCXBDSA-N 0 3 276.384 1.046 20 70 CDIDHN C[C@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159650105 364248173 /nfs/dbraw/zinc/24/81/73/364248173.db2.gz FQCOLUXLUYDTAZ-QMMMGPOBSA-N 0 3 294.742 1.396 20 70 CDIDHN Cc1ccccc1[C@H](C)NCCOCCS(C)(=O)=O ZINC000159684865 364250521 /nfs/dbraw/zinc/25/05/21/364250521.db2.gz ZWVWHHFWHHMJKA-ZDUSSCGKSA-N 0 3 285.409 1.707 20 70 CDIDHN C[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160385944 364344190 /nfs/dbraw/zinc/34/41/90/364344190.db2.gz TZNHVOIRNGKQAR-PWSUYJOCSA-N 0 3 250.317 1.564 20 70 CDIDHN CC[C@@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1 ZINC000160781729 364407851 /nfs/dbraw/zinc/40/78/51/364407851.db2.gz ASYYCTFCRUVGTQ-MGPQQGTHSA-N 0 3 280.343 1.899 20 70 CDIDHN COc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160029846 533328268 /nfs/dbraw/zinc/32/82/68/533328268.db2.gz KTEOZXJAKAILCD-CQSZACIVSA-N 0 3 292.379 1.272 20 70 CDIDHN CC(C)C[C@H](N)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000160360449 391508251 /nfs/dbraw/zinc/50/82/51/391508251.db2.gz XYQGUMKOZUDYHQ-ZDUSSCGKSA-N 0 3 295.358 1.839 20 70 CDIDHN CCCN(CC[C@@H]1CCCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387308 391590874 /nfs/dbraw/zinc/59/08/74/391590874.db2.gz XLVYWVSLQDYAOA-UONOGXRCSA-N 0 3 288.457 1.370 20 70 CDIDHN C[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)N1CCC(C)CC1 ZINC000161210842 292802540 /nfs/dbraw/zinc/80/25/40/292802540.db2.gz SIWKWSURBAEUBH-GDBMZVCRSA-N 0 3 297.443 1.663 20 70 CDIDHN CC[C@@H]1CCCCCN1C(=O)CNC[C@H]1CCCO1 ZINC000159371644 362316912 /nfs/dbraw/zinc/31/69/12/362316912.db2.gz QAFVEMYRLPFZAF-ZIAGYGMSSA-N 0 3 268.401 1.936 20 70 CDIDHN CSCC[C@@H](N)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000159613481 362351295 /nfs/dbraw/zinc/35/12/95/362351295.db2.gz HAUCAKHKJJCMQS-VXGBXAGGSA-N 0 3 258.431 1.961 20 70 CDIDHN Cc1cccc([C@H](C)NCC(=O)N2CCOCC2)c1 ZINC000160261224 362406956 /nfs/dbraw/zinc/40/69/56/362406956.db2.gz BPDORDSDXPECGX-ZDUSSCGKSA-N 0 3 262.353 1.504 20 70 CDIDHN C[C@H](CCO)CNCc1cncc(Br)c1 ZINC000160585786 362451859 /nfs/dbraw/zinc/45/18/59/362451859.db2.gz QNLCJIZITCVNFD-SECBINFHSA-N 0 3 273.174 1.952 20 70 CDIDHN CS(=O)(=O)c1ccc(CNCCN2CCCCC2)cc1 ZINC000159738294 363254011 /nfs/dbraw/zinc/25/40/11/363254011.db2.gz GAUAZGVCBBWSHH-UHFFFAOYSA-N 0 3 296.436 1.666 20 70 CDIDHN CC(C)(C)NC(=O)CNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000159867561 363386093 /nfs/dbraw/zinc/38/60/93/363386093.db2.gz GSLMKDCVTLEUNK-UHFFFAOYSA-N 0 3 299.415 1.546 20 70 CDIDHN CN(CC(=O)NCCN1CCCCCC1)[C@@H]1CCSC1 ZINC000159868051 363386324 /nfs/dbraw/zinc/38/63/24/363386324.db2.gz NRLDVFGBKJQGDF-CQSZACIVSA-N 0 3 299.484 1.416 20 70 CDIDHN CCOCCC1(CNC(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000159861783 363390785 /nfs/dbraw/zinc/39/07/85/363390785.db2.gz LWJYDDJECIHWQH-CYBMUJFWSA-N 0 3 297.443 1.975 20 70 CDIDHN CO[C@@H]1CCC[C@H]1NC(=O)NCCN1CCC(C)CC1 ZINC000160274133 363805112 /nfs/dbraw/zinc/80/51/12/363805112.db2.gz TXSQCHMYDNUZDW-ZIAGYGMSSA-N 0 3 283.416 1.585 20 70 CDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000160586239 364065537 /nfs/dbraw/zinc/06/55/37/364065537.db2.gz NUFQLDXVLFJXGC-NEPJUHHUSA-N 0 3 271.405 1.977 20 70 CDIDHN CSCC[C@H](N)C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000159897554 364279437 /nfs/dbraw/zinc/27/94/37/364279437.db2.gz XEMZEXPIZQWOCO-PWSUYJOCSA-N 0 3 295.408 1.210 20 70 CDIDHN Cc1cccc(C)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160557973 364374586 /nfs/dbraw/zinc/37/45/86/364374586.db2.gz WJKWKPAYRZITME-OAHLLOKOSA-N 0 3 290.407 1.880 20 70 CDIDHN CC(C)[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160422081 364350989 /nfs/dbraw/zinc/35/09/89/364350989.db2.gz NIUJFVUZCNMWDF-ZDUSSCGKSA-N 0 3 261.325 1.493 20 70 CDIDHN COC(=O)NCc1ccc(NC(=O)[C@@H](N)C(C)C)cc1 ZINC000160957438 364431887 /nfs/dbraw/zinc/43/18/87/364431887.db2.gz SPZNSFFVOXIYKV-LBPRGKRZSA-N 0 3 279.340 1.464 20 70 CDIDHN O=C(CNC[C@@H]1CCCO1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161065225 283846986 /nfs/dbraw/zinc/84/69/86/283846986.db2.gz PBSGEYXRGWSXID-KKUMJFAQSA-N 0 3 280.412 1.840 20 70 CDIDHN COc1cc(CNC[C@](C)(O)CSC)cc2c1OCO2 ZINC000217843979 367260163 /nfs/dbraw/zinc/26/01/63/367260163.db2.gz ONDJXYUMJPSESX-AWEZNQCLSA-N 0 3 299.392 1.628 20 70 CDIDHN CN(C)[C@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159703356 390976172 /nfs/dbraw/zinc/97/61/72/390976172.db2.gz PQPHNIPLGMSMNM-CABCVRRESA-N 0 3 276.380 1.975 20 70 CDIDHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000160828814 287530425 /nfs/dbraw/zinc/53/04/25/287530425.db2.gz WXPNMEMHGAEGDC-UONOGXRCSA-N 0 3 295.427 1.093 20 70 CDIDHN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H](C)N)cc1 ZINC000161100886 301841376 /nfs/dbraw/zinc/84/13/76/301841376.db2.gz IDBGWMBVYGWQFJ-BPLDGKMQSA-N 0 3 276.380 1.926 20 70 CDIDHN COC[C@H](NC(=O)[C@@H](C)N)c1cccc(C(F)(F)F)c1 ZINC000161144615 482864187 /nfs/dbraw/zinc/86/41/87/482864187.db2.gz VSZRJYWMTMKOJR-KCJUWKMLSA-N 0 3 290.285 1.856 20 70 CDIDHN CC(=O)N(C)c1cccc(NC(=O)CNCC2CC2)c1 ZINC000160333352 526479727 /nfs/dbraw/zinc/47/97/27/526479727.db2.gz NFUYURYWZLJNSY-UHFFFAOYSA-N 0 3 275.352 1.607 20 70 CDIDHN C[C@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159507978 361871650 /nfs/dbraw/zinc/87/16/50/361871650.db2.gz YMKVJSNGJFXDTP-IINYFYTJSA-N 0 3 296.798 1.959 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000159964169 361976921 /nfs/dbraw/zinc/97/69/21/361976921.db2.gz YPOYKGBOXHLBRQ-CQSZACIVSA-N 0 3 269.389 1.293 20 70 CDIDHN CN1CCC(N(CCO)Cc2cnc3ccccn23)CC1 ZINC000160141853 539115423 /nfs/dbraw/zinc/11/54/23/539115423.db2.gz GOQVRBFVHCJNES-UHFFFAOYSA-N 0 3 288.395 1.223 20 70 CDIDHN O=C(NCCN[C@@H]1CCCc2cccnc21)C1CC1 ZINC000160708690 539116252 /nfs/dbraw/zinc/11/62/52/539116252.db2.gz KGXCBGFYEOWREH-CYBMUJFWSA-N 0 3 259.353 1.575 20 70 CDIDHN CCCNC(=O)[C@H](C)N1CCN(c2ccncc2)CC1 ZINC000161383425 539117653 /nfs/dbraw/zinc/11/76/53/539117653.db2.gz WHXBINWZGYXAIN-ZDUSSCGKSA-N 0 3 276.384 1.118 20 70 CDIDHN C[C@@H]1C[C@@H](NC(=O)NCc2ncccc2F)CN1C1CC1 ZINC000160005048 363569791 /nfs/dbraw/zinc/56/97/91/363569791.db2.gz WNHUYXNZAAWYIZ-GHMZBOCLSA-N 0 3 292.358 1.645 20 70 CDIDHN COC[C@H](NC(=O)N(CCN(C)C)C(C)C)c1ccco1 ZINC000159376438 364194656 /nfs/dbraw/zinc/19/46/56/364194656.db2.gz YFYQIQQWHILDHH-ZDUSSCGKSA-N 0 3 297.399 1.949 20 70 CDIDHN CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315652 364332699 /nfs/dbraw/zinc/33/26/99/364332699.db2.gz VAUJCMSIPPFRIM-QWHCGFSZSA-N 0 3 274.372 1.376 20 70 CDIDHN Cc1nc(C)c(C(=O)N2C[C@H](N)Cc3ccccc32)o1 ZINC000159575056 274837287 /nfs/dbraw/zinc/83/72/87/274837287.db2.gz BGCDIHSIJJPUIJ-GFCCVEGCSA-N 0 3 271.320 1.822 20 70 CDIDHN CCOCCC1(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC000159483055 292760522 /nfs/dbraw/zinc/76/05/22/292760522.db2.gz ABJJOYCFRNCUKH-LBPRGKRZSA-N 0 3 256.390 1.650 20 70 CDIDHN CC[C@H](C(=O)NCCNC(=O)CC1CCCCC1)N(C)C ZINC000159712725 292766795 /nfs/dbraw/zinc/76/67/95/292766795.db2.gz GCLBAAWVYQTESJ-CQSZACIVSA-N 0 3 297.443 1.529 20 70 CDIDHN NC[C@H]1c2ccccc2CCN1C(=O)NC1CCC1 ZINC000160288033 295276863 /nfs/dbraw/zinc/27/68/63/295276863.db2.gz VMUPPCMTNMVGQK-AWEZNQCLSA-N 0 3 259.353 1.807 20 70 CDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1cc(C)ccc1C ZINC000218116978 329468261 /nfs/dbraw/zinc/46/82/61/329468261.db2.gz SJVDAAXRMJUNCC-CQSZACIVSA-N 0 3 294.395 1.111 20 70 CDIDHN CCOC(=O)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000160452964 520830854 /nfs/dbraw/zinc/83/08/54/520830854.db2.gz XIIILFIFEFDKGP-PWSUYJOCSA-N 0 3 258.362 1.031 20 70 CDIDHN CCC(=O)N1CC[C@H](C(=O)N(C)C2CCN(CC)CC2)C1 ZINC000161454552 528359413 /nfs/dbraw/zinc/35/94/13/528359413.db2.gz YLIVKMTYYQVTRQ-ZDUSSCGKSA-N 0 3 295.427 1.188 20 70 CDIDHN Cc1cc2ncc([C@@H](C)NCCc3cnn(C)c3)c(C)n2n1 ZINC000159762113 362366823 /nfs/dbraw/zinc/36/68/23/362366823.db2.gz VIZVLLUJFXUFPH-GFCCVEGCSA-N 0 3 298.394 1.973 20 70 CDIDHN C[C@H]1CC(NC(=O)NC2CCN(C)CC2)C[C@H](C)O1 ZINC000159708099 362502789 /nfs/dbraw/zinc/50/27/89/362502789.db2.gz UDPDKQOTUFMTAS-QWRGUYRKSA-N 0 3 269.389 1.336 20 70 CDIDHN CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000160554100 358737943 /nfs/dbraw/zinc/73/79/43/358737943.db2.gz PYTFGXDEPQTFMV-CHWSQXEVSA-N 0 3 284.400 1.709 20 70 CDIDHN Cc1ccccc1O[C@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000161174833 358790314 /nfs/dbraw/zinc/79/03/14/358790314.db2.gz KNIZLQVBLJFQJV-IUODEOHRSA-N 0 3 280.343 1.580 20 70 CDIDHN COc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)nn1 ZINC000159396642 361682229 /nfs/dbraw/zinc/68/22/29/361682229.db2.gz GTFGVQMCAPOEOR-GFCCVEGCSA-N 0 3 290.367 1.186 20 70 CDIDHN COCCN(C)CCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000159409344 361697110 /nfs/dbraw/zinc/69/71/10/361697110.db2.gz LSSHTXMLOXQDTE-ZDUSSCGKSA-N 0 3 268.405 1.693 20 70 CDIDHN CC[C@@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)N(C)C ZINC000160539307 363979929 /nfs/dbraw/zinc/97/99/29/363979929.db2.gz IIBNWBLGUWWWAT-AWEZNQCLSA-N 0 3 295.427 1.188 20 70 CDIDHN Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000159714242 364255584 /nfs/dbraw/zinc/25/55/84/364255584.db2.gz AJVKBRPDFLZRCB-ZWNOBZJWSA-N 0 3 294.399 1.788 20 70 CDIDHN COc1ccc(C(F)(F)C(=O)NC2CCN(C)CC2)cc1 ZINC000160247760 364325851 /nfs/dbraw/zinc/32/58/51/364325851.db2.gz GBUQGBPPKVWRHY-UHFFFAOYSA-N 0 3 298.333 1.997 20 70 CDIDHN CCN1CCCN(C(=O)NCc2sc(C)nc2C)CC1 ZINC000159910810 364279447 /nfs/dbraw/zinc/27/94/47/364279447.db2.gz YBKFVQUIYOWMSP-UHFFFAOYSA-N 0 3 296.440 1.997 20 70 CDIDHN CNC(=O)c1cc(C)ccc1NC(=O)CNCC1CC1 ZINC000160617751 364382376 /nfs/dbraw/zinc/38/23/76/364382376.db2.gz ZXQUKJPLPRTEJQ-UHFFFAOYSA-N 0 3 275.352 1.293 20 70 CDIDHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(=O)n1C ZINC000161174850 364459382 /nfs/dbraw/zinc/45/93/82/364459382.db2.gz IPEJADNWUTYNAM-GFCCVEGCSA-N 0 3 279.384 1.091 20 70 CDIDHN O=C(CSC[C@@H]1CCCCO1)N1CCCNCC1 ZINC000160861278 364420559 /nfs/dbraw/zinc/42/05/59/364420559.db2.gz FJTSTRZFOSZXQF-LBPRGKRZSA-N 0 3 272.414 1.111 20 70 CDIDHN COC(CN(CCO)[C@@H]1CCc2ccccc21)OC ZINC000161430165 364492659 /nfs/dbraw/zinc/49/26/59/364492659.db2.gz LGWJUFIYUDNVOS-CQSZACIVSA-N 0 3 265.353 1.587 20 70 CDIDHN CCOC(=O)[C@@H](c1ccccc1)N1CCCN(C)CC1 ZINC000217682443 367258262 /nfs/dbraw/zinc/25/82/62/367258262.db2.gz PPMZRXQAKXAPBM-OAHLLOKOSA-N 0 3 276.380 1.928 20 70 CDIDHN CC[C@@H](C(=O)NC[C@@H](O)C1CCCCC1)N(C)C ZINC000160242266 377041257 /nfs/dbraw/zinc/04/12/57/377041257.db2.gz LNDVCNDVELSKAV-QWHCGFSZSA-N 0 3 256.390 1.384 20 70 CDIDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1C ZINC000160631581 377098984 /nfs/dbraw/zinc/09/89/84/377098984.db2.gz CBSLSHAUOOFBMK-UHFFFAOYSA-N 0 3 290.407 1.738 20 70 CDIDHN CN(C)[C@@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159703487 390976148 /nfs/dbraw/zinc/97/61/48/390976148.db2.gz PQPHNIPLGMSMNM-LSDHHAIUSA-N 0 3 276.380 1.975 20 70 CDIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000159683736 391633150 /nfs/dbraw/zinc/63/31/50/391633150.db2.gz PSCRYRUTHKXFIO-STQMWFEESA-N 0 3 252.358 1.110 20 70 CDIDHN CC(C)OCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160349300 392504097 /nfs/dbraw/zinc/50/40/97/392504097.db2.gz WRZUCINCLQPYGN-DVOMOZLQSA-N 0 3 298.427 1.450 20 70 CDIDHN Nc1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000216624597 140162746 /nfs/dbraw/zinc/16/27/46/140162746.db2.gz HRWOWRPGYVSRRV-KGLIPLIRSA-N 0 3 295.408 1.174 20 70 CDIDHN CCC(CC)(CC)NC(=O)CNC[C@H]1CCCO1 ZINC000160989498 270241803 /nfs/dbraw/zinc/24/18/03/270241803.db2.gz XMFFBVZITSPDHP-GFCCVEGCSA-N 0 3 256.390 1.840 20 70 CDIDHN COCCCOC1CCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC000159790350 482750537 /nfs/dbraw/zinc/75/05/37/482750537.db2.gz XURBAKUPRWHWKC-CQSZACIVSA-N 0 3 286.416 1.404 20 70 CDIDHN Cc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1N ZINC000160723272 482820502 /nfs/dbraw/zinc/82/05/02/482820502.db2.gz LKDPJCCVGURGFI-LBPRGKRZSA-N 0 3 261.369 1.791 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC000160467430 520877240 /nfs/dbraw/zinc/87/72/40/520877240.db2.gz FENLYIITQHRWGC-RYUDHWBXSA-N 0 3 270.373 1.319 20 70 CDIDHN CC[C@@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778550 522866396 /nfs/dbraw/zinc/86/63/96/522866396.db2.gz NOPKNWOEAQCSLD-MGPQQGTHSA-N 0 3 262.353 1.760 20 70 CDIDHN CCC[C@@H](N)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000159740078 361820613 /nfs/dbraw/zinc/82/06/13/361820613.db2.gz JTBRXRMKQVBHGR-CYBMUJFWSA-N 0 3 295.358 1.189 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)CCOC)CC1 ZINC000159792596 361852620 /nfs/dbraw/zinc/85/26/20/361852620.db2.gz LVSFYMHOUHHKPB-GFCCVEGCSA-N 0 3 257.378 1.149 20 70 CDIDHN C[C@@H]1CN(C[C@H](O)COCc2ccccc2)CC[C@@H]1O ZINC000159416629 362320490 /nfs/dbraw/zinc/32/04/90/362320490.db2.gz NSMILJJBEQVXMC-KBMXLJTQSA-N 0 3 279.380 1.267 20 70 CDIDHN COc1ccc(OCCN2CC[C@H](O)[C@@H](C)C2)cc1 ZINC000159427962 362320905 /nfs/dbraw/zinc/32/09/05/362320905.db2.gz JXECIMDCWLOIKI-WFASDCNBSA-N 0 3 265.353 1.777 20 70 CDIDHN COc1cc(CNCCOC(C)C)cc(OC)c1O ZINC000160035001 362387770 /nfs/dbraw/zinc/38/77/70/362387770.db2.gz FLXLEGSXCMNVDI-UHFFFAOYSA-N 0 3 269.341 1.924 20 70 CDIDHN C[C@H](CNC(=O)c1cccc(=O)n1C)N1CCC(C)CC1 ZINC000161381234 188524565 /nfs/dbraw/zinc/52/45/65/188524565.db2.gz FMIDOBRRJFAWTF-CYBMUJFWSA-N 0 3 291.395 1.236 20 70 CDIDHN CCCCOCCCNCc1ccc(S(N)(=O)=O)o1 ZINC000160251802 366157265 /nfs/dbraw/zinc/15/72/65/366157265.db2.gz JGGVKSTXDPNLMX-UHFFFAOYSA-N 0 3 290.385 1.223 20 70 CDIDHN CC(C)(CNC(=O)N1CCC[C@@](C)(O)C1)N1CCCCC1 ZINC000159844023 363376097 /nfs/dbraw/zinc/37/60/97/363376097.db2.gz ABCBUNPHUPSSJA-MRXNPFEDSA-N 0 3 297.443 1.807 20 70 CDIDHN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000160828460 361254725 /nfs/dbraw/zinc/25/47/25/361254725.db2.gz WXPNMEMHGAEGDC-KGLIPLIRSA-N 0 3 295.427 1.093 20 70 CDIDHN C[C@H](N)C(=O)NCCCCCOC1CCCCC1 ZINC000159533505 361732402 /nfs/dbraw/zinc/73/24/02/361732402.db2.gz CTVSGUIPNALEKA-LBPRGKRZSA-N 0 3 256.390 1.969 20 70 CDIDHN COC(=O)c1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)o1 ZINC000159561353 364234504 /nfs/dbraw/zinc/23/45/04/364234504.db2.gz OZNMGRZGWKGCFR-JQWIXIFHSA-N 0 3 267.325 1.659 20 70 CDIDHN CC[C@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159646829 364246139 /nfs/dbraw/zinc/24/61/39/364246139.db2.gz YASLLQOBYGPUHH-DZGCQCFKSA-N 0 3 262.353 1.498 20 70 CDIDHN CSCC[C@H](N)C(=O)NC[C@H](O)c1ccccc1C ZINC000159844786 364272949 /nfs/dbraw/zinc/27/29/49/364272949.db2.gz KYWDUUHNUWTFDP-STQMWFEESA-N 0 3 282.409 1.225 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)NCCn1cccc1 ZINC000159515442 364225540 /nfs/dbraw/zinc/22/55/40/364225540.db2.gz JQBIIWVWCTWWSZ-UHFFFAOYSA-N 0 3 266.389 1.470 20 70 CDIDHN Cc1nc(CC(=O)N(C)[C@H]2CCCN(C)C2)c(C)s1 ZINC000159913821 364280720 /nfs/dbraw/zinc/28/07/20/364280720.db2.gz FNWYBJLXOYWZKT-LBPRGKRZSA-N 0 3 281.425 1.855 20 70 CDIDHN COc1cc(F)c([C@H](C)NC(=O)[C@@H](C)N)cc1OC ZINC000159962849 364287979 /nfs/dbraw/zinc/28/79/79/364287979.db2.gz CEMLASOCGWZGNT-SFYZADRCSA-N 0 3 270.304 1.367 20 70 CDIDHN C[C@@H](NC1CCN(CC(=O)N(C)C)CC1)c1cncs1 ZINC000160385518 364344300 /nfs/dbraw/zinc/34/43/00/364344300.db2.gz HGXXJTPZLSEFEJ-LLVKDONJSA-N 0 3 296.440 1.346 20 70 CDIDHN CC(C(=O)N1CCc2c(F)cccc2C1)S(C)(=O)=O ZINC000161112631 364449462 /nfs/dbraw/zinc/44/94/62/364449462.db2.gz XJVRPZUCVUGASB-VIFPVBQESA-N 0 3 285.340 1.144 20 70 CDIDHN CNCC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160932552 364430172 /nfs/dbraw/zinc/43/01/72/364430172.db2.gz PQOKQFQFFJNXTO-NSHDSACASA-N 0 3 295.770 1.171 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000161037915 365241509 /nfs/dbraw/zinc/24/15/09/365241509.db2.gz JUVNFOCDDFBVST-GDLCADMTSA-N 0 3 278.352 1.655 20 70 CDIDHN N[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccsc1 ZINC000161499874 375643361 /nfs/dbraw/zinc/64/33/61/375643361.db2.gz SOANYCCVZGRRFJ-KBPBESRZSA-N 0 3 290.388 1.468 20 70 CDIDHN C[C@@H](CC(=O)N1CCC[C@H]1CN)C(=O)c1cccc(F)c1 ZINC000160185706 377031794 /nfs/dbraw/zinc/03/17/94/377031794.db2.gz CDXWKRLYDBOGKT-FZMZJTMJSA-N 0 3 292.354 1.984 20 70 CDIDHN COCCNCC(=O)NCCc1cc(C)cc(C)c1 ZINC000160592615 377089728 /nfs/dbraw/zinc/08/97/28/377089728.db2.gz ZEIUFWQLBGBMBP-UHFFFAOYSA-N 0 3 264.369 1.198 20 70 CDIDHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)sc1C ZINC000160674022 377099509 /nfs/dbraw/zinc/09/95/09/377099509.db2.gz DCLNGONRTCYDPE-UHFFFAOYSA-N 0 3 296.436 1.799 20 70 CDIDHN C[C@H](N)C(=O)N1CCc2ccc(Br)cc21 ZINC000159991193 392494715 /nfs/dbraw/zinc/49/47/15/392494715.db2.gz DSWMXIZJICHTCM-ZETCQYMHSA-N 0 3 269.142 1.685 20 70 CDIDHN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(CN(C)C)cc2)O1 ZINC000159559803 292761572 /nfs/dbraw/zinc/76/15/72/292761572.db2.gz FWNBIHRQTWTUGR-DOMZBBRYSA-N 0 3 276.380 1.932 20 70 CDIDHN C[C@H](N[C@@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159747762 292768339 /nfs/dbraw/zinc/76/83/39/292768339.db2.gz QAKMIYBPKRHCHK-FZMZJTMJSA-N 0 3 277.368 1.403 20 70 CDIDHN CC1(C)C(C(=O)NC[C@@H](O)CN2CCCCC2)C1(C)C ZINC000160138881 528870686 /nfs/dbraw/zinc/87/06/86/528870686.db2.gz CDQKMXUMFKNTBK-GFCCVEGCSA-N 0 3 282.428 1.632 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C1CCOCC1 ZINC000159702572 528896682 /nfs/dbraw/zinc/89/66/82/528896682.db2.gz BJRCFMSWNQYBTB-ZDUSSCGKSA-N 0 3 285.432 1.783 20 70 CDIDHN CCN1CCC[C@H]1CNC(=O)N[C@@H](COC)C1CC1 ZINC000160328815 529105178 /nfs/dbraw/zinc/10/51/78/529105178.db2.gz CEHCQRILZNSAGQ-STQMWFEESA-N 0 3 269.389 1.195 20 70 CDIDHN O=C(CCNCc1cccc2cc[nH]c21)N1CCOCC1 ZINC000218150673 366015130 /nfs/dbraw/zinc/01/51/30/366015130.db2.gz FITIWAKQYMOOTH-UHFFFAOYSA-N 0 3 287.363 1.506 20 70 CDIDHN CC[C@H](COC)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000161214152 188515472 /nfs/dbraw/zinc/51/54/72/188515472.db2.gz NDYSHUYKXUGNHU-GXTWGEPZSA-N 0 3 264.369 1.706 20 70 CDIDHN C[C@H](CNC(=O)NCc1ncccc1F)N(C)C1CC1 ZINC000159866137 363385258 /nfs/dbraw/zinc/38/52/58/363385258.db2.gz HBNBSATZSGLBTL-SNVBAGLBSA-N 0 3 280.347 1.503 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)[C@@H]2CCOC2)CC1 ZINC000159910665 363440536 /nfs/dbraw/zinc/44/05/36/363440536.db2.gz QKIAUKGAAUVFBT-CHWSQXEVSA-N 0 3 269.389 1.149 20 70 CDIDHN CC(C)C[C@H](CO)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000160762159 358771194 /nfs/dbraw/zinc/77/11/94/358771194.db2.gz JUCFKZCWVHMPGX-UKRRQHHQSA-N 0 3 298.427 1.153 20 70 CDIDHN CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000160554368 358738824 /nfs/dbraw/zinc/73/88/24/358738824.db2.gz PYTFGXDEPQTFMV-OLZOCXBDSA-N 0 3 284.400 1.709 20 70 CDIDHN CCCC[C@H](COC)NC(=O)[C@H](N)CCSC ZINC000161167253 358789593 /nfs/dbraw/zinc/78/95/93/358789593.db2.gz ZFWKQBPCVXNBQY-GHMZBOCLSA-N 0 3 262.419 1.388 20 70 CDIDHN COCCNCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000159430656 361697016 /nfs/dbraw/zinc/69/70/16/361697016.db2.gz VBRDXWOSGFIGNG-IUODEOHRSA-N 0 3 294.370 1.971 20 70 CDIDHN CCc1nc(CN(C)CC(C)(C)CN2CCOCC2)n[nH]1 ZINC000159469671 361707727 /nfs/dbraw/zinc/70/77/27/361707727.db2.gz HTNPLXJIYGVLTJ-UHFFFAOYSA-N 0 3 295.431 1.157 20 70 CDIDHN NC(=O)c1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626563 364243229 /nfs/dbraw/zinc/24/32/29/364243229.db2.gz CPCRYUINIJIZDV-KFWWJZLASA-N 0 3 286.375 1.833 20 70 CDIDHN COC(=O)c1ccc(NC(=O)[C@H](C)N)c(OC(F)F)c1 ZINC000159753305 364260777 /nfs/dbraw/zinc/26/07/77/364260777.db2.gz QZEIOAMVHFTCIR-LURJTMIESA-N 0 3 288.250 1.360 20 70 CDIDHN COc1ccc(CCN(C)CC(C)(CO)CO)cc1 ZINC000159541272 364230363 /nfs/dbraw/zinc/23/03/63/364230363.db2.gz XBRNQCSOUHMDSO-UHFFFAOYSA-N 0 3 267.369 1.160 20 70 CDIDHN Cc1ccc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160283920 364329122 /nfs/dbraw/zinc/32/91/22/364329122.db2.gz RAPIDENVBMHIBY-OAHLLOKOSA-N 0 3 290.407 1.880 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1 ZINC000160672303 364392841 /nfs/dbraw/zinc/39/28/41/364392841.db2.gz AHJRYWZYSMXZIA-CQSZACIVSA-N 0 3 280.343 1.402 20 70 CDIDHN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)N ZINC000160832011 364415804 /nfs/dbraw/zinc/41/58/04/364415804.db2.gz TUVZNLOISCRUEA-BXUZGUMPSA-N 0 3 282.359 1.691 20 70 CDIDHN C[C@@H](CNC(=O)c1cccc(=O)n1C)N1CCC(C)CC1 ZINC000161381126 364486343 /nfs/dbraw/zinc/48/63/43/364486343.db2.gz FMIDOBRRJFAWTF-ZDUSSCGKSA-N 0 3 291.395 1.236 20 70 CDIDHN CCCC[C@@H](COC)NC(=O)[C@@H](N)CCSC ZINC000161167375 367429731 /nfs/dbraw/zinc/42/97/31/367429731.db2.gz ZFWKQBPCVXNBQY-QWRGUYRKSA-N 0 3 262.419 1.388 20 70 CDIDHN CSC[C@](C)(O)CNCc1nn(C)c2ccccc12 ZINC000217849807 375747868 /nfs/dbraw/zinc/74/78/68/375747868.db2.gz RNCBMIFVVTUVDV-CQSZACIVSA-N 0 3 279.409 1.777 20 70 CDIDHN CN(C)C(=O)c1ccc(CN[C@H]2CCOC(C)(C)C2)[nH]1 ZINC000160546516 377085022 /nfs/dbraw/zinc/08/50/22/377085022.db2.gz BPWQOCULIOPVIP-NSHDSACASA-N 0 3 279.384 1.764 20 70 CDIDHN C[C@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161095549 390959557 /nfs/dbraw/zinc/95/95/57/390959557.db2.gz JFNJVOBFRSCYKY-ZDMBXUJBSA-N 0 3 250.317 1.913 20 70 CDIDHN CCCN1CCCN(C(=O)C2CCOCC2)CC1 ZINC000160385550 276005270 /nfs/dbraw/zinc/00/52/70/276005270.db2.gz PJYDDYAKHHDLOC-UHFFFAOYSA-N 0 3 254.374 1.357 20 70 CDIDHN COCCN1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159731854 292767602 /nfs/dbraw/zinc/76/76/02/292767602.db2.gz JLFGPIBDBMOSDG-UHFFFAOYSA-N 0 3 295.427 1.587 20 70 CDIDHN COCC[C@H](C)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000160561718 521916916 /nfs/dbraw/zinc/91/69/16/521916916.db2.gz JFXAQYGKKQCBAC-NSHDSACASA-N 0 3 289.372 1.614 20 70 CDIDHN NC(=O)CC[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000159615093 361753297 /nfs/dbraw/zinc/75/32/97/361753297.db2.gz MXWACECRCPWJSH-CYBMUJFWSA-N 0 3 286.379 1.812 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cncc(F)c1)CC2 ZINC000160506657 282117506 /nfs/dbraw/zinc/11/75/06/282117506.db2.gz UFUHEMPSMRSQKJ-ZANVPECISA-N 0 3 275.331 1.786 20 70 CDIDHN CSCC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159734135 361819679 /nfs/dbraw/zinc/81/96/79/361819679.db2.gz YGDRHJLVVYCDIW-GXTWGEPZSA-N 0 3 278.421 1.913 20 70 CDIDHN CCN1CCCN(C(=O)NCCCSC)CC1 ZINC000159881334 361898025 /nfs/dbraw/zinc/89/80/25/361898025.db2.gz KQLAEHDKSSCYLI-UHFFFAOYSA-N 0 3 259.419 1.477 20 70 CDIDHN COC1(CNCc2ccccc2NC(C)=O)CCOCC1 ZINC000160652460 539116184 /nfs/dbraw/zinc/11/61/84/539116184.db2.gz RWVNGSNRGFFARZ-UHFFFAOYSA-N 0 3 292.379 1.930 20 70 CDIDHN CN1CCC(NC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000159707702 362502959 /nfs/dbraw/zinc/50/29/59/362502959.db2.gz HQVSNKOPTZUIRE-UHFFFAOYSA-N 0 3 291.370 1.988 20 70 CDIDHN CC(C)C[C@@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000159666160 363170563 /nfs/dbraw/zinc/17/05/63/363170563.db2.gz GBIQMRKJIFRJQF-HUUCEWRRSA-N 0 3 298.475 1.604 20 70 CDIDHN CC(C)C[C@H](N)C(=O)NCCCOC1CCOCC1 ZINC000160939660 356685367 /nfs/dbraw/zinc/68/53/67/356685367.db2.gz UUMQJVBNNOYCNB-ZDUSSCGKSA-N 0 3 272.389 1.062 20 70 CDIDHN CCN1CCCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000159467001 364211962 /nfs/dbraw/zinc/21/19/62/364211962.db2.gz YJMRLOIWXUGQLC-UHFFFAOYSA-N 0 3 272.352 1.731 20 70 CDIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000159714135 364255937 /nfs/dbraw/zinc/25/59/37/364255937.db2.gz AJVKBRPDFLZRCB-GXFFZTMASA-N 0 3 294.399 1.788 20 70 CDIDHN COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN)cc1 ZINC000160250412 364326544 /nfs/dbraw/zinc/32/65/44/364326544.db2.gz RRDPPLXOYUNLNR-ZDUSSCGKSA-N 0 3 290.363 1.608 20 70 CDIDHN CCn1cc([C@H](C)N[C@@H](CCO)CSC)cn1 ZINC000160294477 364629716 /nfs/dbraw/zinc/62/97/16/364629716.db2.gz SFKKFWFFCVODSJ-JQWIXIFHSA-N 0 3 257.403 1.668 20 70 CDIDHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000161183719 264272507 /nfs/dbraw/zinc/27/25/07/264272507.db2.gz RFELXTNCKATBJX-IINYFYTJSA-N 0 3 278.400 1.226 20 70 CDIDHN CC[C@H](O)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000160798140 522796020 /nfs/dbraw/zinc/79/60/20/522796020.db2.gz PDMPFRNQMZLDET-HNNXBMFYSA-N 0 3 293.411 1.708 20 70 CDIDHN CN(C)C1(CNc2nccn(C3CC3)c2=O)CCCC1 ZINC000161024358 524037764 /nfs/dbraw/zinc/03/77/64/524037764.db2.gz LGUTXJIHTOQWFG-UHFFFAOYSA-N 0 3 276.384 1.865 20 70 CDIDHN Cc1cccc([C@H]2CCCN2CCC(=O)NC(N)=O)n1 ZINC000160002885 361999173 /nfs/dbraw/zinc/99/91/73/361999173.db2.gz GXOSODZALCHOOV-GFCCVEGCSA-N 0 3 276.340 1.112 20 70 CDIDHN CN(CC1CCOCC1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000159788672 363306626 /nfs/dbraw/zinc/30/66/26/363306626.db2.gz RAJMSCUIZWDQMV-AWEZNQCLSA-N 0 3 283.416 1.396 20 70 CDIDHN CCCCN(C)CCNC(=O)NCc1ncccc1F ZINC000159837817 363367218 /nfs/dbraw/zinc/36/72/18/363367218.db2.gz DQSSJIVIKVUNAI-UHFFFAOYSA-N 0 3 282.363 1.752 20 70 CDIDHN N[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000159617525 237155469 /nfs/dbraw/zinc/15/54/69/237155469.db2.gz ALTFVUADSVCGOG-MJBXVCDLSA-N 0 3 259.353 1.039 20 70 CDIDHN Cc1cccc(CC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160041546 361065669 /nfs/dbraw/zinc/06/56/69/361065669.db2.gz FUDGBMNDZNFQAH-MRXNPFEDSA-N 0 3 290.407 1.501 20 70 CDIDHN CCN(C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160538899 363980676 /nfs/dbraw/zinc/98/06/76/363980676.db2.gz PKGFCBXMTJEFCF-CHWSQXEVSA-N 0 3 257.399 1.852 20 70 CDIDHN CCN1CCCN(C(=O)NCc2c(C)noc2C)CC1 ZINC000159755354 364260145 /nfs/dbraw/zinc/26/01/45/364260145.db2.gz UQCATFGKCAKRGX-UHFFFAOYSA-N 0 3 280.372 1.529 20 70 CDIDHN COc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160225819 364321442 /nfs/dbraw/zinc/32/14/42/364321442.db2.gz JSUIEQNGWIAGTM-CQSZACIVSA-N 0 3 292.379 1.272 20 70 CDIDHN CN(C)CCNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160748006 364406095 /nfs/dbraw/zinc/40/60/95/364406095.db2.gz YNJGFZLQBHWODC-HUUCEWRRSA-N 0 3 291.395 1.768 20 70 CDIDHN Cc1c(C(=O)NC[C@@H]2CCN(C)C2)cnn1CC(C)C ZINC000161262673 364470469 /nfs/dbraw/zinc/47/04/69/364470469.db2.gz GXIMAGRLCVRQKU-ZDUSSCGKSA-N 0 3 278.400 1.529 20 70 CDIDHN O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CCCCN1 ZINC000161329575 364478771 /nfs/dbraw/zinc/47/87/71/364478771.db2.gz QMTFMVYQAVJZDS-LLVKDONJSA-N 0 3 278.356 1.384 20 70 CDIDHN CCN1CCCN(C(=O)NCc2cccnc2OC)CC1 ZINC000159609091 390975983 /nfs/dbraw/zinc/97/59/83/390975983.db2.gz OPZXJYHYCMGXJN-UHFFFAOYSA-N 0 3 292.383 1.327 20 70 CDIDHN CC(C)OCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160349565 519764009 /nfs/dbraw/zinc/76/40/09/519764009.db2.gz WRZUCINCLQPYGN-HEHGZKQESA-N 0 3 298.427 1.450 20 70 CDIDHN COCCNCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000159806679 361867801 /nfs/dbraw/zinc/86/78/01/361867801.db2.gz YBUBMJPMGPISKJ-OCCSQVGLSA-N 0 3 294.370 1.766 20 70 CDIDHN CC[C@@H](COC)NC(=O)N1CCCN(CC)CC1 ZINC000159889565 361903424 /nfs/dbraw/zinc/90/34/24/361903424.db2.gz BUUNLUJRUQXQIC-LBPRGKRZSA-N 0 3 257.378 1.149 20 70 CDIDHN COc1ccccc1OCCN1CC[C@H](O)[C@@H](C)C1 ZINC000159428246 362321457 /nfs/dbraw/zinc/32/14/57/362321457.db2.gz LGGMLLATEVWTGW-STQMWFEESA-N 0 3 265.353 1.777 20 70 CDIDHN CCC(CC)[C@@H](O)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000159759136 188440482 /nfs/dbraw/zinc/44/04/82/188440482.db2.gz PDEHPNUIGWPZDU-GJZGRUSLSA-N 0 3 278.396 1.470 20 70 CDIDHN C[C@@H](CNC(=O)[C@@H]1CCCCN1)Oc1ccc(F)cc1 ZINC000161123683 188509326 /nfs/dbraw/zinc/50/93/26/188509326.db2.gz AZULUNDWQFJERM-FZMZJTMJSA-N 0 3 280.343 1.851 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159709753 364254782 /nfs/dbraw/zinc/25/47/82/364254782.db2.gz LJWIWUGQXPAXJY-ZDUSSCGKSA-N 0 3 295.358 1.045 20 70 CDIDHN CCN1CCCN(C(=O)NCc2cccc(O)c2)CC1 ZINC000159719869 364256345 /nfs/dbraw/zinc/25/63/45/364256345.db2.gz QVRAFGLTCQHJDX-UHFFFAOYSA-N 0 3 277.368 1.629 20 70 CDIDHN C[C@@H](NCCN1C(=O)CNC1=O)c1cc2ccccc2o1 ZINC000159773565 364264105 /nfs/dbraw/zinc/26/41/05/364264105.db2.gz JNUQBBDGULTYAS-SNVBAGLBSA-N 0 3 287.319 1.635 20 70 CDIDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)o1 ZINC000160330800 364336241 /nfs/dbraw/zinc/33/62/41/364336241.db2.gz DBEOLRZTSIFKOT-CYBMUJFWSA-N 0 3 280.368 1.473 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000161037784 365254500 /nfs/dbraw/zinc/25/45/00/365254500.db2.gz JUVNFOCDDFBVST-ZLKJLUDKSA-N 0 3 278.352 1.655 20 70 CDIDHN O=S1(=O)CC[C@@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218087499 367261080 /nfs/dbraw/zinc/26/10/80/367261080.db2.gz VGYWHNXGKZFCJO-NSHDSACASA-N 0 3 278.377 1.692 20 70 CDIDHN C[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161505069 375648919 /nfs/dbraw/zinc/64/89/19/375648919.db2.gz CSZZAHBVFZQOFB-BXKDBHETSA-N 0 3 250.298 1.140 20 70 CDIDHN Cc1cc(C(=O)NC2CCN(C3CC3)CC2)ncn1 ZINC000161367317 377601177 /nfs/dbraw/zinc/60/11/77/377601177.db2.gz LUWIXKQJZVROGU-UHFFFAOYSA-N 0 3 260.341 1.142 20 70 CDIDHN Cc1cc2c(cc1C)O[C@H](C(=O)N1CCCNCC1)C2 ZINC000160881058 280672721 /nfs/dbraw/zinc/67/27/21/280672721.db2.gz LOILXOACVAQPOO-HNNXBMFYSA-N 0 3 274.364 1.429 20 70 CDIDHN CCC(CC)(CNCC(=O)NC1CCCC1)C(=O)OC ZINC000159684406 292765554 /nfs/dbraw/zinc/76/55/54/292765554.db2.gz GZUJQHDWDYYILJ-UHFFFAOYSA-N 0 3 284.400 1.614 20 70 CDIDHN C[C@@H](C(=O)N1CCC(O)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000159884987 361891497 /nfs/dbraw/zinc/89/14/97/361891497.db2.gz MCMRKCZSSYSAEA-SRVKXCTJSA-N 0 3 254.374 1.231 20 70 CDIDHN CO[C@@]1(CN[C@H]2CCCc3cccnc32)CCOC1 ZINC000160126648 539115400 /nfs/dbraw/zinc/11/54/00/539115400.db2.gz FRELQUAHAVZJOE-DZGCQCFKSA-N 0 3 262.353 1.854 20 70 CDIDHN CO[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C(C)C ZINC000159632995 363090535 /nfs/dbraw/zinc/09/05/35/363090535.db2.gz VLQBAKBIZPGFEK-CHWSQXEVSA-N 0 3 271.405 1.536 20 70 CDIDHN CCN1CCC(NC(=O)N(C)CC2CCOCC2)CC1 ZINC000159709896 363213287 /nfs/dbraw/zinc/21/32/87/363213287.db2.gz RZRBZEOLRGYSQJ-UHFFFAOYSA-N 0 3 283.416 1.539 20 70 CDIDHN CCOc1cc(CCCNC(=O)[C@@H](C)N)ccc1OC ZINC000160062909 188453413 /nfs/dbraw/zinc/45/34/13/188453413.db2.gz LBIZWMNWQGAUCN-LLVKDONJSA-N 0 3 280.368 1.490 20 70 CDIDHN CN1CCC[C@@H](CNC(=O)NCc2ncccc2F)C1 ZINC000159806384 363329786 /nfs/dbraw/zinc/32/97/86/363329786.db2.gz GKCCBXGMWCNGGL-NSHDSACASA-N 0 3 280.347 1.362 20 70 CDIDHN CCOc1ccc(CNC(=O)NCCN(C)C)cc1 ZINC000217300954 358993478 /nfs/dbraw/zinc/99/34/78/358993478.db2.gz FUPJEEYVSYHQSU-UHFFFAOYSA-N 0 3 265.357 1.446 20 70 CDIDHN Cc1nc2ccccn2c1CN[C@H](C(N)=O)C(C)(C)C ZINC000160162714 363704227 /nfs/dbraw/zinc/70/42/27/363704227.db2.gz YLYZTCWYJMFZRJ-CYBMUJFWSA-N 0 3 274.368 1.632 20 70 CDIDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160320272 363815219 /nfs/dbraw/zinc/81/52/19/363815219.db2.gz IAQPBYZMSCARSW-UKRRQHHQSA-N 0 3 283.416 1.417 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ccc(O)cc2)CC1 ZINC000159583474 364237998 /nfs/dbraw/zinc/23/79/98/364237998.db2.gz CGKIOYWRZJYAGL-UHFFFAOYSA-N 0 3 277.368 1.629 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1 ZINC000160079892 364303863 /nfs/dbraw/zinc/30/38/63/364303863.db2.gz OKVWKKXWBDKJAQ-CQSZACIVSA-N 0 3 280.343 1.402 20 70 CDIDHN COCCOCCCNCc1nn(C)c2ccccc12 ZINC000218081595 375786719 /nfs/dbraw/zinc/78/67/19/375786719.db2.gz ZHYWUPHNAHLZJD-UHFFFAOYSA-N 0 3 277.368 1.716 20 70 CDIDHN CC[C@H](C(=O)NC[C@@H](O)c1ccccc1)N(C)C ZINC000160041503 390977507 /nfs/dbraw/zinc/97/75/07/390977507.db2.gz RMBUYINMDCHDOG-CHWSQXEVSA-N 0 3 250.342 1.176 20 70 CDIDHN COc1ccc2c(c1)[C@H](N[C@@H](C)CC(N)=O)CCO2 ZINC000161373685 274137481 /nfs/dbraw/zinc/13/74/81/274137481.db2.gz VBOMIKNYNUHUGT-JOYOIKCWSA-N 0 3 264.325 1.372 20 70 CDIDHN COc1cc(OC)nc(N[C@@H](C)CN2CCCCC2)n1 ZINC000159777782 295014605 /nfs/dbraw/zinc/01/46/05/295014605.db2.gz QMQDTSKVHYWTHW-NSHDSACASA-N 0 3 280.372 1.780 20 70 CDIDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1C ZINC000161058324 521722110 /nfs/dbraw/zinc/72/21/10/521722110.db2.gz VCWJXAZGJKPSIW-MQYQWHSLSA-N 0 3 266.385 1.497 20 70 CDIDHN Cc1nc2ccccn2c1CN1CCC[C@H](CC(N)=O)C1 ZINC000160931624 527177930 /nfs/dbraw/zinc/17/79/30/527177930.db2.gz ZHRKPNWAVPNNDR-CYBMUJFWSA-N 0 3 286.379 1.730 20 70 CDIDHN Cc1nc2ccccn2c1CN1CCC[C@@H](CC(N)=O)C1 ZINC000160931761 527178055 /nfs/dbraw/zinc/17/80/55/527178055.db2.gz ZHRKPNWAVPNNDR-ZDUSSCGKSA-N 0 3 286.379 1.730 20 70 CDIDHN C[C@@H](CNC(=O)Cc1cccc(N)c1)N1CCCC1 ZINC000160718256 342073151 /nfs/dbraw/zinc/07/31/51/342073151.db2.gz DGCYQZXCCXQOMG-LBPRGKRZSA-N 0 3 261.369 1.412 20 70 CDIDHN CCN1CCCN(C(=O)NCCOCCC(C)C)CC1 ZINC000159775562 361847101 /nfs/dbraw/zinc/84/71/01/361847101.db2.gz WIQBCQOEUVJJFE-UHFFFAOYSA-N 0 3 285.432 1.786 20 70 CDIDHN COCCN(C)CCN[C@H]1CCc2ccc(F)cc21 ZINC000159377437 539114118 /nfs/dbraw/zinc/11/41/18/539114118.db2.gz MAIDFOUWRJXHND-HNNXBMFYSA-N 0 3 266.360 1.981 20 70 CDIDHN Cc1ncoc1C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000159575354 282228286 /nfs/dbraw/zinc/22/82/86/282228286.db2.gz XDDBWNWZRAHSQI-LLVKDONJSA-N 0 3 257.293 1.513 20 70 CDIDHN C[C@@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508698 188429436 /nfs/dbraw/zinc/42/94/36/188429436.db2.gz YMKVJSNGJFXDTP-YGRLFVJLSA-N 0 3 296.798 1.959 20 70 CDIDHN Cc1ccccc1O[C@@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000161174483 358790350 /nfs/dbraw/zinc/79/03/50/358790350.db2.gz KNIZLQVBLJFQJV-WFASDCNBSA-N 0 3 280.343 1.580 20 70 CDIDHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000160828582 361254714 /nfs/dbraw/zinc/25/47/14/361254714.db2.gz WXPNMEMHGAEGDC-KBPBESRZSA-N 0 3 295.427 1.093 20 70 CDIDHN C[C@H](N)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000159379106 361678036 /nfs/dbraw/zinc/67/80/36/361678036.db2.gz YDDRXUJIMGDVQO-GXSJLCMTSA-N 0 3 282.315 1.669 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000159453692 361702545 /nfs/dbraw/zinc/70/25/45/361702545.db2.gz JWHNXOOAHAQDDO-ZDUSSCGKSA-N 0 3 252.333 1.858 20 70 CDIDHN Cc1nc(COc2ccc(NC(=O)[C@@H](C)N)cc2)no1 ZINC000159474766 364214481 /nfs/dbraw/zinc/21/44/81/364214481.db2.gz YHENQCSSVJIQSE-MRVPVSSYSA-N 0 3 276.296 1.243 20 70 CDIDHN CCCN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159781524 364263865 /nfs/dbraw/zinc/26/38/65/364263865.db2.gz NGUMRDMHAKOBFK-LBPRGKRZSA-N 0 3 250.346 1.257 20 70 CDIDHN CSCC[C@@H](N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000160991057 364436931 /nfs/dbraw/zinc/43/69/31/364436931.db2.gz RMBJHQMHLTUNEW-MRVPVSSYSA-N 0 3 278.328 1.167 20 70 CDIDHN CC(C)c1ccc(N(C)C(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000161459075 375404122 /nfs/dbraw/zinc/40/41/22/375404122.db2.gz PIAAWFSUNZSCMD-UONOGXRCSA-N 0 3 262.353 1.496 20 70 CDIDHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1c(C)noc1C ZINC000160750559 377113764 /nfs/dbraw/zinc/11/37/64/377113764.db2.gz CHXYYBPTDBTEED-ZJUUUORDSA-N 0 3 288.369 1.292 20 70 CDIDHN COCCCN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000161319991 377558790 /nfs/dbraw/zinc/55/87/90/377558790.db2.gz HGDKUKCYZYTSIM-UHFFFAOYSA-N 0 3 264.369 1.857 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161021854 391579129 /nfs/dbraw/zinc/57/91/29/391579129.db2.gz TYGZJYNOYVNVMO-KDDOJWQBSA-N 0 3 268.307 1.920 20 70 CDIDHN O=C1NCCCC[C@@H]1NCc1cccc2cc[nH]c21 ZINC000218101582 130766681 /nfs/dbraw/zinc/76/66/81/130766681.db2.gz VGLBUKDXBYWJJC-ZDUSSCGKSA-N 0 3 257.337 1.926 20 70 CDIDHN CN(CCN1CCCC1)C(=O)CCCn1cccc1 ZINC000159399506 279874528 /nfs/dbraw/zinc/87/45/28/279874528.db2.gz UNCORQUWENUXKA-UHFFFAOYSA-N 0 3 263.385 1.823 20 70 CDIDHN CS[C@@H](C)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000159616668 292763052 /nfs/dbraw/zinc/76/30/52/292763052.db2.gz MQQJDGZMLDGLHY-RYUDHWBXSA-N 0 3 273.446 1.912 20 70 CDIDHN CC[C@@H](C(=O)NCC(CC)(CC)CCO)N(C)C ZINC000160910156 292796017 /nfs/dbraw/zinc/79/60/17/292796017.db2.gz OKBIFLCLILZUGX-LBPRGKRZSA-N 0 3 258.406 1.632 20 70 CDIDHN CC[C@H](C(=O)N[C@H]1COc2ccc(C)cc21)N(C)C ZINC000161150698 523794727 /nfs/dbraw/zinc/79/47/27/523794727.db2.gz PPVSEDGTMWKOTC-QWHCGFSZSA-N 0 3 262.353 1.885 20 70 CDIDHN CCC(CC)(CNC(=O)NC1CCN(C)CC1)C(=O)OC ZINC000159571391 528673018 /nfs/dbraw/zinc/67/30/18/528673018.db2.gz HXUMMIAIOMWTNF-UHFFFAOYSA-N 0 3 299.415 1.359 20 70 CDIDHN C[C@@H](O)CN(C)CCN(C)Cc1ccc(F)cc1 ZINC000159807918 361870641 /nfs/dbraw/zinc/87/06/41/361870641.db2.gz QVDFSAQYHZBMTA-GFCCVEGCSA-N 0 3 254.349 1.570 20 70 CDIDHN C[C@@H](C(=O)N1CCC(O)CC1)N1[C@H](C)CC[C@H]1C ZINC000159885113 361892937 /nfs/dbraw/zinc/89/29/37/361892937.db2.gz MCMRKCZSSYSAEA-UTUOFQBUSA-N 0 3 254.374 1.231 20 70 CDIDHN Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cn1 ZINC000161330950 539117552 /nfs/dbraw/zinc/11/75/52/539117552.db2.gz WDRPYWCMAMAZOD-AWEZNQCLSA-N 0 3 272.352 1.868 20 70 CDIDHN CC(C)CNC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159645590 342367790 /nfs/dbraw/zinc/36/77/90/342367790.db2.gz QEXDYDGSIPAIHJ-STQMWFEESA-N 0 3 281.400 1.733 20 70 CDIDHN COc1cccc2c1CC[C@@H]2NC(=O)C(C)S(C)(=O)=O ZINC000159955095 363499897 /nfs/dbraw/zinc/49/98/97/363499897.db2.gz MZQBIJHUNMWOAQ-CABZTGNLSA-N 0 3 297.376 1.232 20 70 CDIDHN O=C(CCn1cnc2ccccc21)N1CCCNCC1 ZINC000160833817 361319633 /nfs/dbraw/zinc/31/96/33/361319633.db2.gz JJLOKVSENONDOJ-UHFFFAOYSA-N 0 3 272.352 1.248 20 70 CDIDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@](C)(O)C1 ZINC000160320514 363815615 /nfs/dbraw/zinc/81/56/15/363815615.db2.gz IAQPBYZMSCARSW-HIFRSBDPSA-N 0 3 283.416 1.417 20 70 CDIDHN CSCC[C@@H](N)C(=O)NC[C@H](O)c1ccccc1C ZINC000159844541 364273226 /nfs/dbraw/zinc/27/32/26/364273226.db2.gz KYWDUUHNUWTFDP-OLZOCXBDSA-N 0 3 282.409 1.225 20 70 CDIDHN CCn1cc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cn1 ZINC000160461111 364356021 /nfs/dbraw/zinc/35/60/21/364356021.db2.gz POQYKISCLBYJRZ-GXFFZTMASA-N 0 3 274.372 1.469 20 70 CDIDHN COc1cc(OC)c(NC(=O)CNCC2CC2)cc1F ZINC000161209972 364464251 /nfs/dbraw/zinc/46/42/51/364464251.db2.gz CLQZMGGHKLPZJT-UHFFFAOYSA-N 0 3 282.315 1.781 20 70 CDIDHN CC(C)C[C@H](CO)NC(=O)[C@H](C)N1CCCCCC1 ZINC000161079689 377131454 /nfs/dbraw/zinc/13/14/54/377131454.db2.gz HRZLQBYTQIDJAE-UONOGXRCSA-N 0 3 270.417 1.774 20 70 CDIDHN CCc1nnc(N[C@H]2CCN(C)[C@@H](C)C2)nc1CC ZINC000218132705 140165001 /nfs/dbraw/zinc/16/50/01/140165001.db2.gz JMEQYVLBXWQURJ-QWRGUYRKSA-N 0 3 263.389 1.891 20 70 CDIDHN COCCC1(C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000161481085 292286256 /nfs/dbraw/zinc/28/62/56/292286256.db2.gz IRRSUDBBDLBAKP-GFCCVEGCSA-N 0 3 254.374 1.356 20 70 CDIDHN COc1ccccc1O[C@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000161158683 295376949 /nfs/dbraw/zinc/37/69/49/295376949.db2.gz IYTUSAAABDVSDW-ABAIWWIYSA-N 0 3 296.342 1.280 20 70 CDIDHN CC(C)c1cc(CNC(=O)[C@@H](N)Cc2ccccc2)on1 ZINC000160148922 482785704 /nfs/dbraw/zinc/78/57/04/482785704.db2.gz XJIBNEKFEPRYTR-AWEZNQCLSA-N 0 3 287.363 1.984 20 70 CDIDHN CCN1CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)CC1 ZINC000159905009 361918229 /nfs/dbraw/zinc/91/82/29/361918229.db2.gz VBRUPDDWULNHDL-CYBMUJFWSA-N 0 3 285.432 1.521 20 70 CDIDHN CCN1CCN([C@H]2CCN(Cc3ccc(C)cn3)C2)CC1 ZINC000160050119 362013322 /nfs/dbraw/zinc/01/33/22/362013322.db2.gz ARPSMIDEDVNVDL-KRWDZBQOSA-N 0 3 288.439 1.602 20 70 CDIDHN CCC[C@H]1CN(Cc2nnc(CC)[nH]2)CCN1CCOC ZINC000160192904 362051016 /nfs/dbraw/zinc/05/10/16/362051016.db2.gz YVDRGHSLBKZSHB-ZDUSSCGKSA-N 0 3 295.431 1.300 20 70 CDIDHN CCC[C@H]1CN(Cc2nnc(CC)[n-]2)CC[N@@H+]1CCOC ZINC000160192904 362051020 /nfs/dbraw/zinc/05/10/20/362051020.db2.gz YVDRGHSLBKZSHB-ZDUSSCGKSA-N 0 3 295.431 1.300 20 70 CDIDHN CCC[C@H]1CN(Cc2nnc(CC)[n-]2)CC[N@H+]1CCOC ZINC000160192904 362051026 /nfs/dbraw/zinc/05/10/26/362051026.db2.gz YVDRGHSLBKZSHB-ZDUSSCGKSA-N 0 3 295.431 1.300 20 70 CDIDHN CCC(CC)CN(CC)C(=O)C(C)S(C)(=O)=O ZINC000160211343 362056270 /nfs/dbraw/zinc/05/62/70/362056270.db2.gz LSYADWKBPXFCIL-JTQLQIEISA-N 0 3 263.403 1.704 20 70 CDIDHN CCC(CC)(CNCC(=O)N[C@@H](C)C(C)C)C(=O)OC ZINC000159657694 363147079 /nfs/dbraw/zinc/14/70/79/363147079.db2.gz KEVHWECQRBRSKY-LBPRGKRZSA-N 0 3 286.416 1.716 20 70 CDIDHN Cc1nc2ccccn2c1CN1CCCC[C@@H]1CO ZINC000159940710 363469538 /nfs/dbraw/zinc/46/95/38/363469538.db2.gz LFUNUBMEOYYWDO-CYBMUJFWSA-N 0 3 259.353 1.990 20 70 CDIDHN CNCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000159428582 361696124 /nfs/dbraw/zinc/69/61/24/361696124.db2.gz BSCHTIRCPKVKJI-MFKMUULPSA-N 0 3 250.317 1.955 20 70 CDIDHN COc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cn1 ZINC000159449701 364207409 /nfs/dbraw/zinc/20/74/09/364207409.db2.gz SLRIPKYCKWNBAS-STQMWFEESA-N 0 3 250.342 1.683 20 70 CDIDHN NC(=O)c1cccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626422 364242687 /nfs/dbraw/zinc/24/26/87/364242687.db2.gz CPCRYUINIJIZDV-KKUMJFAQSA-N 0 3 286.375 1.833 20 70 CDIDHN Cc1cc(C)cc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160254475 364325660 /nfs/dbraw/zinc/32/56/60/364325660.db2.gz QWYHEGSUMLYYJS-MRXNPFEDSA-N 0 3 290.407 1.880 20 70 CDIDHN COCCN(C)CCNC(=O)COc1cc(C)ccc1F ZINC000161175621 364459857 /nfs/dbraw/zinc/45/98/57/364459857.db2.gz FLQKOVSPYWTANN-UHFFFAOYSA-N 0 3 298.358 1.207 20 70 CDIDHN CC[C@H](NCCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000160916668 364427947 /nfs/dbraw/zinc/42/79/47/364427947.db2.gz RXPDLVWQJDDTAK-LBPRGKRZSA-N 0 3 279.315 1.418 20 70 CDIDHN CC[C@@H](COC)N[C@H](C)C(=O)NCc1ccccc1 ZINC000161214267 364463697 /nfs/dbraw/zinc/46/36/97/364463697.db2.gz NDYSHUYKXUGNHU-OCCSQVGLSA-N 0 3 264.369 1.706 20 70 CDIDHN COCCN(C)CCNC(=O)c1cnc(C(C)C)s1 ZINC000161452087 364494657 /nfs/dbraw/zinc/49/46/57/364494657.db2.gz JWVCFCCDUMKOSU-UHFFFAOYSA-N 0 3 285.413 1.575 20 70 CDIDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)C)C12CCCC2 ZINC000161114414 377157096 /nfs/dbraw/zinc/15/70/96/377157096.db2.gz CNYITJCEMWUEMP-XQQFMLRXSA-N 0 3 268.401 1.824 20 70 CDIDHN CCCN1CCCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000160398266 519848877 /nfs/dbraw/zinc/84/88/77/519848877.db2.gz IODRENGMGNZAKK-HNNXBMFYSA-N 0 3 298.427 1.516 20 70 CDIDHN CCOCCC1(CNC(=O)C(C)S(C)(=O)=O)CCC1 ZINC000161153260 521689459 /nfs/dbraw/zinc/68/94/59/521689459.db2.gz SBTMIKBCRXTAQZ-NSHDSACASA-N 0 3 291.413 1.133 20 70 CDIDHN CN(CC(N)=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160567163 522590263 /nfs/dbraw/zinc/59/02/63/522590263.db2.gz UDAHSQBOLWOAOX-FOSCPWQOSA-N 0 3 297.399 1.334 20 70 CDIDHN COCCN(C)CCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000160434368 523579870 /nfs/dbraw/zinc/57/98/70/523579870.db2.gz SVQFWSXNWBHMIV-ZIAGYGMSSA-N 0 3 270.417 1.897 20 70 CDIDHN COC(=O)[C@H](C)CN(C)Cc1cnc2ccccn12 ZINC000160415071 523864007 /nfs/dbraw/zinc/86/40/07/523864007.db2.gz MFDNWACZEPHNCM-LLVKDONJSA-N 0 3 261.325 1.575 20 70 CDIDHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000161157534 361900162 /nfs/dbraw/zinc/90/01/62/361900162.db2.gz YVDOKBGUILWRHW-YWPYICTPSA-N 0 3 294.395 1.952 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)c2cnn(C)c2)CC1 ZINC000159898507 361903858 /nfs/dbraw/zinc/90/38/58/361903858.db2.gz VPEPMTFBEXSXAP-GFCCVEGCSA-N 0 3 279.388 1.218 20 70 CDIDHN CC(C)[C@H](C)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161325611 539117529 /nfs/dbraw/zinc/11/75/29/539117529.db2.gz VFAKDAJILRFXNB-AWEZNQCLSA-N 0 3 290.411 1.364 20 70 CDIDHN CCOCCCN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159398989 362318488 /nfs/dbraw/zinc/31/84/88/362318488.db2.gz QOAWCKCXLDWXHD-CYBMUJFWSA-N 0 3 292.445 1.207 20 70 CDIDHN CO[C@@]1(CNCc2cnc3ccccc3n2)CCOC1 ZINC000160142403 362398330 /nfs/dbraw/zinc/39/83/30/362398330.db2.gz ATMDJYSHCBSKOR-OAHLLOKOSA-N 0 3 273.336 1.525 20 70 CDIDHN CC[C@H](N)C(=O)Nc1ccc(OCc2nc(C)no2)cc1 ZINC000159664182 363169749 /nfs/dbraw/zinc/16/97/49/363169749.db2.gz PTZXEWIEYDPRTB-LBPRGKRZSA-N 0 3 290.323 1.633 20 70 CDIDHN CN(CCCN1CCN(C)CC1)C(=O)CCC(C)(C)C ZINC000159685725 363191308 /nfs/dbraw/zinc/19/13/08/363191308.db2.gz ZTBKWWNNPRPEOY-UHFFFAOYSA-N 0 3 283.460 1.909 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)c(F)c1 ZINC000160588667 237183046 /nfs/dbraw/zinc/18/30/46/237183046.db2.gz BHNKYEIUUWWONT-CYBMUJFWSA-N 0 3 294.370 1.711 20 70 CDIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(N)=O ZINC000160511585 363963404 /nfs/dbraw/zinc/96/34/04/363963404.db2.gz ZSLYMEGJARUCCV-KOLCDFICSA-N 0 3 255.339 1.426 20 70 CDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CN(C)C ZINC000159371113 364193315 /nfs/dbraw/zinc/19/33/15/364193315.db2.gz VQXCUZFTEBGLFK-HIFRSBDPSA-N 0 3 275.396 1.185 20 70 CDIDHN COc1cc(C)cc(CNC(=O)NC2CCN(C)CC2)c1 ZINC000159566884 364234750 /nfs/dbraw/zinc/23/47/50/364234750.db2.gz ROPFUOKYMAXHQK-UHFFFAOYSA-N 0 3 291.395 1.897 20 70 CDIDHN CN(CCn1ccnc1)C[C@@H](O)COCc1ccccc1 ZINC000159818435 364270265 /nfs/dbraw/zinc/27/02/65/364270265.db2.gz HNIYUSBGVFZGES-MRXNPFEDSA-N 0 3 289.379 1.393 20 70 CDIDHN CCN(C)CCNC(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000160503751 364362930 /nfs/dbraw/zinc/36/29/30/364362930.db2.gz KFOLQAPYLBXRDT-UHFFFAOYSA-N 0 3 281.356 1.100 20 70 CDIDHN CC[C@@H](C)CS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000161008831 364438894 /nfs/dbraw/zinc/43/88/94/364438894.db2.gz VWGRNXMNUYHVGL-LLVKDONJSA-N 0 3 283.397 1.714 20 70 CDIDHN CC[C@H](COC)N[C@H](C)C(=O)NCc1ccccc1 ZINC000161214377 364463741 /nfs/dbraw/zinc/46/37/41/364463741.db2.gz NDYSHUYKXUGNHU-TZMCWYRMSA-N 0 3 264.369 1.706 20 70 CDIDHN CC[C@@H](C(=O)NCCN(C)Cc1ccccc1)N(C)C ZINC000161454712 364494614 /nfs/dbraw/zinc/49/46/14/364494614.db2.gz GMJKHFUNKMTQKD-HNNXBMFYSA-N 0 3 277.412 1.575 20 70 CDIDHN COC(=O)c1cc(NC(=O)C[C@@H]2CNCCO2)ccc1C ZINC000161490428 364501838 /nfs/dbraw/zinc/50/18/38/364501838.db2.gz TUTGNEZRSBBZHC-GFCCVEGCSA-N 0 3 292.335 1.099 20 70 CDIDHN C[C@H](CNC(=O)[C@H]1CCn2ccnc2C1)N(C)C1CC1 ZINC000161311876 369834661 /nfs/dbraw/zinc/83/46/61/369834661.db2.gz DTILDFHXBICGRB-NEPJUHHUSA-N 0 3 276.384 1.044 20 70 CDIDHN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)CNCC1CC1 ZINC000161468789 375429198 /nfs/dbraw/zinc/42/91/98/375429198.db2.gz NPZRXAABEDGYTG-FQEVSTJZSA-N 0 3 294.420 1.382 20 70 CDIDHN COC(=O)c1cc(NC(=O)[C@H]2CCCCN2)ccc1C ZINC000161488535 375615937 /nfs/dbraw/zinc/61/59/37/375615937.db2.gz ILSGEBHHZXUSPS-CYBMUJFWSA-N 0 3 276.336 1.862 20 70 CDIDHN CSCC[C@H](N)C(=O)NCCOC1CCCCCC1 ZINC000160088596 377002350 /nfs/dbraw/zinc/00/23/50/377002350.db2.gz ZORYFLVQDTVCEY-ZDUSSCGKSA-N 0 3 288.457 1.922 20 70 CDIDHN CCN(C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159414167 276075166 /nfs/dbraw/zinc/07/51/66/276075166.db2.gz CUMNOVCFMITQFQ-CYBMUJFWSA-N 0 3 296.436 1.868 20 70 CDIDHN CC(C)CN(CCN(C)C)C(=O)NCCc1cscn1 ZINC000159445470 292758733 /nfs/dbraw/zinc/75/87/33/292758733.db2.gz OLCGGHOTFWPTKA-UHFFFAOYSA-N 0 3 298.456 1.915 20 70 CDIDHN CCCC[C@H](COC)NCC(C)(C)S(C)(=O)=O ZINC000159899021 538846563 /nfs/dbraw/zinc/84/65/63/538846563.db2.gz MHOFSNSSACVHEE-LLVKDONJSA-N 0 3 265.419 1.604 20 70 CDIDHN CCCC[C@H](COC)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000161164924 361897822 /nfs/dbraw/zinc/89/78/22/361897822.db2.gz NJZUUUJAHFEVMJ-CABCVRRESA-N 0 3 278.396 1.878 20 70 CDIDHN CN(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000159920333 361939744 /nfs/dbraw/zinc/93/97/44/361939744.db2.gz GYIKFZONMQDOBN-OWCLPIDISA-N 0 3 287.407 1.642 20 70 CDIDHN Cc1cnccc1CCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000161013369 362480796 /nfs/dbraw/zinc/48/07/96/362480796.db2.gz QJTLPKHRORONCN-CQSZACIVSA-N 0 3 290.411 1.574 20 70 CDIDHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)c1ccccn1 ZINC000159748100 363273276 /nfs/dbraw/zinc/27/32/76/363273276.db2.gz QAKMIYBPKRHCHK-BXUZGUMPSA-N 0 3 277.368 1.403 20 70 CDIDHN C[C@@H]1C[C@@H](NC(=O)N(C)CC2CCOCC2)CN1C1CC1 ZINC000159855842 363380756 /nfs/dbraw/zinc/38/07/56/363380756.db2.gz NMFUNRDMWJLECS-TZMCWYRMSA-N 0 3 295.427 1.680 20 70 CDIDHN CC(C)Oc1ccc([C@H](O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000160977267 360463391 /nfs/dbraw/zinc/46/33/91/360463391.db2.gz GKRUKRMOBROJBQ-CABCVRRESA-N 0 3 294.395 1.607 20 70 CDIDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160306755 363818190 /nfs/dbraw/zinc/81/81/90/363818190.db2.gz NZEQKSREWWUMAG-UKRRQHHQSA-N 0 3 283.416 1.275 20 70 CDIDHN CC1CCN(CCNC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160305162 363818286 /nfs/dbraw/zinc/81/82/86/363818286.db2.gz NXCYUHAZSSXHPD-OAHLLOKOSA-N 0 3 283.416 1.275 20 70 CDIDHN CC[C@H](C(=O)NCCc1nc(C)c(C)s1)N(C)C ZINC000161047122 364441698 /nfs/dbraw/zinc/44/16/98/364441698.db2.gz GALGOIIDRPALDM-LLVKDONJSA-N 0 3 269.414 1.759 20 70 CDIDHN C[C@H](CN1CCCCC1)NC(=O)NOCc1cccnc1 ZINC000161076427 364445207 /nfs/dbraw/zinc/44/52/07/364445207.db2.gz RPZRSACKIMEVEX-CYBMUJFWSA-N 0 3 292.383 1.687 20 70 CDIDHN CC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161460221 364496404 /nfs/dbraw/zinc/49/64/04/364496404.db2.gz VLQFZBJHMHGDGR-NWDGAFQWSA-N 0 3 295.770 1.299 20 70 CDIDHN CC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000160841848 376146486 /nfs/dbraw/zinc/14/64/86/376146486.db2.gz PVKPNXUXSPULAV-KBPBESRZSA-N 0 3 262.353 1.632 20 70 CDIDHN CCc1ccsc1C(=O)NCC1CCN(CCO)CC1 ZINC000160713442 377095941 /nfs/dbraw/zinc/09/59/41/377095941.db2.gz PBBZNRNUXBNCHL-UHFFFAOYSA-N 0 3 296.436 1.745 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000159934988 285213434 /nfs/dbraw/zinc/21/34/34/285213434.db2.gz LDFKDZBVQJYDPM-CZUORRHYSA-N 0 3 297.443 1.927 20 70 CDIDHN CN(CCC1CCOCC1)C(=O)[C@@H]1CCCCN1 ZINC000160353438 391508485 /nfs/dbraw/zinc/50/84/85/391508485.db2.gz ZGKALLYEDAUHGQ-ZDUSSCGKSA-N 0 3 254.374 1.404 20 70 CDIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)N)[C@@H](C)CO1 ZINC000161467344 392723134 /nfs/dbraw/zinc/72/31/34/392723134.db2.gz PLRGZSFEYXQAFO-OBJOEFQTSA-N 0 3 262.353 1.631 20 70 CDIDHN NC(=O)CCNCc1ccc(Br)c(F)c1 ZINC000161256845 292803201 /nfs/dbraw/zinc/80/32/01/292803201.db2.gz VMCZSLHXXDEUJC-UHFFFAOYSA-N 0 3 275.121 1.553 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCCS1 ZINC000159583679 528894963 /nfs/dbraw/zinc/89/49/63/528894963.db2.gz ITTWIIXAOLLYGU-LBPRGKRZSA-N 0 3 273.446 1.864 20 70 CDIDHN CSCC[C@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000159669129 361771700 /nfs/dbraw/zinc/77/17/00/361771700.db2.gz FISWMBJZDIPWOT-LBPRGKRZSA-N 0 3 288.363 1.704 20 70 CDIDHN COCCN(C)CCNc1nnc(C(F)(F)F)s1 ZINC000160331591 342072981 /nfs/dbraw/zinc/07/29/81/342072981.db2.gz IXFQSWPJWYWNMW-UHFFFAOYSA-N 0 3 284.307 1.547 20 70 CDIDHN O=C(NCCN[C@H]1CCCc2cccnc21)C1CC1 ZINC000160708812 539082491 /nfs/dbraw/zinc/08/24/91/539082491.db2.gz KGXCBGFYEOWREH-ZDUSSCGKSA-N 0 3 259.353 1.575 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](COC)C(C)C)CC1 ZINC000159906751 342370966 /nfs/dbraw/zinc/37/09/66/342370966.db2.gz IUOQHPDRUWYMNG-ZDUSSCGKSA-N 0 3 271.405 1.395 20 70 CDIDHN CCN(C)CCNCc1cncc(Br)c1 ZINC000160574596 362448754 /nfs/dbraw/zinc/44/87/54/362448754.db2.gz NMWUAFJDNJSETH-UHFFFAOYSA-N 0 3 272.190 1.885 20 70 CDIDHN CCc1ccc(CNCCC(=O)N2CCOCC2)s1 ZINC000159387353 344868296 /nfs/dbraw/zinc/86/82/96/344868296.db2.gz PFMOQGVPPIUZLA-UHFFFAOYSA-N 0 3 282.409 1.649 20 70 CDIDHN C[C@H](CNC(=O)CNc1ccccc1)N1CCCC1 ZINC000161052110 362533168 /nfs/dbraw/zinc/53/31/68/362533168.db2.gz GVYUDMCKHZOSPT-CYBMUJFWSA-N 0 3 261.369 1.699 20 70 CDIDHN COc1ccc(NC(=O)C2CCN(C)CC2)cc1N ZINC000161374158 362818500 /nfs/dbraw/zinc/81/85/00/362818500.db2.gz KXDWQUPZWRECDM-UHFFFAOYSA-N 0 3 263.341 1.558 20 70 CDIDHN OC[C@@H](O)CNCc1ccc(Br)c(F)c1 ZINC000161329284 362931086 /nfs/dbraw/zinc/93/10/86/362931086.db2.gz AXZAZKIYQLXYJH-QMMMGPOBSA-N 0 3 278.121 1.031 20 70 CDIDHN CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000160761903 358771543 /nfs/dbraw/zinc/77/15/43/358771543.db2.gz JUCFKZCWVHMPGX-HIFRSBDPSA-N 0 3 298.427 1.153 20 70 CDIDHN CC[C@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000159494065 358742865 /nfs/dbraw/zinc/74/28/65/358742865.db2.gz FRHRWWKFORIBGP-PELKAZGASA-N 0 3 256.296 1.922 20 70 CDIDHN C[C@H](N)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160966316 360215473 /nfs/dbraw/zinc/21/54/73/360215473.db2.gz DAMVGVJZAPECPS-QUBYGPBYSA-N 0 3 277.151 1.490 20 70 CDIDHN CN1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160245717 360996597 /nfs/dbraw/zinc/99/65/97/360996597.db2.gz ULJMAPMKEDGCEE-GFCCVEGCSA-N 0 3 295.408 1.819 20 70 CDIDHN CC[C@@H](NCCO)c1ccccc1OCC(=O)N(C)C ZINC000159706600 364255043 /nfs/dbraw/zinc/25/50/43/364255043.db2.gz ZOVWCJUGSVFNQW-CYBMUJFWSA-N 0 3 280.368 1.187 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccncc1Cl ZINC000159935790 364283520 /nfs/dbraw/zinc/28/35/20/364283520.db2.gz AGDJWICMBMBCHO-LLVKDONJSA-N 0 3 297.786 1.312 20 70 CDIDHN O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1C[C@H](O)CN1 ZINC000160802844 364411150 /nfs/dbraw/zinc/41/11/50/364411150.db2.gz OYXVNAQTRSAWFI-WDEREUQCSA-N 0 3 288.269 1.453 20 70 CDIDHN CC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161507969 364505625 /nfs/dbraw/zinc/50/56/25/364505625.db2.gz AEGZGIUQRWEXMD-OLZOCXBDSA-N 0 3 264.325 1.530 20 70 CDIDHN COc1ccc([O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000218074393 367260201 /nfs/dbraw/zinc/26/02/01/367260201.db2.gz KZYDEAJZBPEFGC-KBPBESRZSA-N 0 3 290.363 1.757 20 70 CDIDHN COc1ccc([O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000218074393 367260205 /nfs/dbraw/zinc/26/02/05/367260205.db2.gz KZYDEAJZBPEFGC-KBPBESRZSA-N 0 3 290.363 1.757 20 70 CDIDHN CCN1CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000161284639 377203676 /nfs/dbraw/zinc/20/36/76/377203676.db2.gz UBSNWKKVXBLTBR-CYBMUJFWSA-N 0 3 285.432 1.567 20 70 CDIDHN CC(C)C[C@@H](CO)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000161079326 278993301 /nfs/dbraw/zinc/99/33/01/278993301.db2.gz HRZLQBYTQIDJAE-KGLIPLIRSA-N 0 3 270.417 1.774 20 70 CDIDHN COCCN(CCN[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000218140185 280090366 /nfs/dbraw/zinc/09/03/66/280090366.db2.gz NQUZQPYADQZRIQ-LBPRGKRZSA-N 0 3 288.388 1.248 20 70 CDIDHN CN(C)CCNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000161061362 292799269 /nfs/dbraw/zinc/79/92/69/292799269.db2.gz GAGFORDMEGWZNB-UHFFFAOYSA-N 0 3 270.336 1.435 20 70 CDIDHN CC(C)[C@H](N)C(=O)Nc1nncn1Cc1ccccc1 ZINC000161155184 292801159 /nfs/dbraw/zinc/80/11/59/292801159.db2.gz NGTRVODPXAAVHM-LBPRGKRZSA-N 0 3 273.340 1.248 20 70 CDIDHN CCCn1nccc1CN[C@@H](C)CN1CCCC1=O ZINC000160102555 482783503 /nfs/dbraw/zinc/78/35/03/482783503.db2.gz AYURJIWCNAGTIF-LBPRGKRZSA-N 0 3 264.373 1.394 20 70 CDIDHN CC(C)[C@@H](CO)NCc1cncc(Br)c1 ZINC000160586613 519795839 /nfs/dbraw/zinc/79/58/39/519795839.db2.gz GQDQSALQKOYADB-LLVKDONJSA-N 0 3 273.174 1.951 20 70 CDIDHN CCCN1CCCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC000160400659 519851323 /nfs/dbraw/zinc/85/13/23/519851323.db2.gz YTQKXFBUFGPYGT-UHFFFAOYSA-N 0 3 264.373 1.530 20 70 CDIDHN C[C@@H](CNC(=O)[C@@]1(F)CCNC1)Sc1ccccc1 ZINC000161121202 524702578 /nfs/dbraw/zinc/70/25/78/524702578.db2.gz CJKQTGSGPKMGQK-SMDDNHRTSA-N 0 3 282.384 1.985 20 70 CDIDHN O=C(CN1CCCC1)N1CCN(CCC2CCCC2)CC1 ZINC000160517053 526731680 /nfs/dbraw/zinc/73/16/80/526731680.db2.gz UIFKYTLKCAUUAM-UHFFFAOYSA-N 0 3 293.455 1.807 20 70 CDIDHN CCCS(=O)(=O)Nc1cccc(NC(=O)C2(N)CC2)c1 ZINC000159578753 361736240 /nfs/dbraw/zinc/73/62/40/361736240.db2.gz DAFJIWLTEWHERZ-UHFFFAOYSA-N 0 3 297.380 1.268 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000159700209 361785274 /nfs/dbraw/zinc/78/52/74/361785274.db2.gz NTASWXUTBVGFIH-UHFFFAOYSA-N 0 3 296.802 1.972 20 70 CDIDHN CC(=O)NC[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000159726469 361812939 /nfs/dbraw/zinc/81/29/39/361812939.db2.gz IWAWEKANLBTAOL-AWEZNQCLSA-N 0 3 254.374 1.261 20 70 CDIDHN CN(C)C1(CNC(=O)NCc2ccccc2)CCC1 ZINC000218699715 539088357 /nfs/dbraw/zinc/08/83/57/539088357.db2.gz ZVPOETWPXQFQBW-UHFFFAOYSA-N 0 3 261.369 1.970 20 70 CDIDHN CCN(C(=O)[C@@]1(F)CCNC1)c1nc(C)cs1 ZINC000160178599 362047534 /nfs/dbraw/zinc/04/75/34/362047534.db2.gz QWYODDAEYCUHMR-LLVKDONJSA-N 0 3 257.334 1.506 20 70 CDIDHN CC[C@H](COC)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159448406 344957999 /nfs/dbraw/zinc/95/79/99/344957999.db2.gz ASXQTBUOJVGLJM-NWDGAFQWSA-N 0 3 257.378 1.052 20 70 CDIDHN CCCCN(CCOC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160685427 346194913 /nfs/dbraw/zinc/19/49/13/346194913.db2.gz OBOZBFRJNSGMKL-HNNXBMFYSA-N 0 3 297.443 1.929 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)NCc1ccn(C)c1 ZINC000159406059 188424546 /nfs/dbraw/zinc/42/45/46/188424546.db2.gz OVLGBXHNFXPQIN-UHFFFAOYSA-N 0 3 266.389 1.507 20 70 CDIDHN CN1CCC[C@@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000159807549 363329742 /nfs/dbraw/zinc/32/97/42/363329742.db2.gz VPUONYIKSPGISS-LBPRGKRZSA-N 0 3 265.401 1.818 20 70 CDIDHN Cc1nn(C)c2ncc(CNCCC(=O)NC(C)C)cc12 ZINC000159400923 359173272 /nfs/dbraw/zinc/17/32/72/359173272.db2.gz OZNLNCVLCKBTPP-UHFFFAOYSA-N 0 3 289.383 1.281 20 70 CDIDHN C[C@H](N)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000159378953 361678784 /nfs/dbraw/zinc/67/87/84/361678784.db2.gz YDDRXUJIMGDVQO-ONGXEEELSA-N 0 3 282.315 1.669 20 70 CDIDHN CC[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160391778 363842906 /nfs/dbraw/zinc/84/29/06/363842906.db2.gz SIUWNVYBPBMBQE-TZMCWYRMSA-N 0 3 264.344 1.954 20 70 CDIDHN CCN(Cc1ccc(C(=O)NC2(CO)CC2)cc1)C1CC1 ZINC000160539095 363980794 /nfs/dbraw/zinc/98/07/94/363980794.db2.gz YZOPRIKUDSEZMB-UHFFFAOYSA-N 0 3 288.391 1.926 20 70 CDIDHN COC(=O)CCCOc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000159829608 364272189 /nfs/dbraw/zinc/27/21/89/364272189.db2.gz GKCOIKOBPZKCPT-SNVBAGLBSA-N 0 3 280.324 1.304 20 70 CDIDHN COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CN)cc1 ZINC000160250266 364326391 /nfs/dbraw/zinc/32/63/91/364326391.db2.gz RRDPPLXOYUNLNR-CYBMUJFWSA-N 0 3 290.363 1.608 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1F ZINC000160116110 364308899 /nfs/dbraw/zinc/30/88/99/364308899.db2.gz NDJNUVNBNGGBRL-LLVKDONJSA-N 0 3 298.333 1.541 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cncc(F)c1)CC2 ZINC000160506525 364364904 /nfs/dbraw/zinc/36/49/04/364364904.db2.gz UFUHEMPSMRSQKJ-TVQRCGJNSA-N 0 3 275.331 1.786 20 70 CDIDHN COC(=O)NCc1ccc(NC(=O)C(C)(C)N)cc1 ZINC000160956485 364431867 /nfs/dbraw/zinc/43/18/67/364431867.db2.gz VGPUTOMQYVLVOU-UHFFFAOYSA-N 0 3 265.313 1.218 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000159835566 279392807 /nfs/dbraw/zinc/39/28/07/279392807.db2.gz XPRIDRFWKZHZEQ-GBIKHYSHSA-N 0 3 282.771 1.976 20 70 CDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1ccc(C)cc1C ZINC000218177904 329468210 /nfs/dbraw/zinc/46/82/10/329468210.db2.gz BENJVWAKABCERR-CQSZACIVSA-N 0 3 294.395 1.111 20 70 CDIDHN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@]1(F)CCNC1 ZINC000160452718 527250658 /nfs/dbraw/zinc/25/06/58/527250658.db2.gz BDRXRVUZSLLWCS-ZFWWWQNUSA-N 0 3 294.326 1.494 20 70 CDIDHN COc1cccc(O[C@@H](C)CNC(=O)[C@@H](N)CC(C)C)c1 ZINC000161127178 361876643 /nfs/dbraw/zinc/87/66/43/361876643.db2.gz GVQOZBHQUWIXED-WFASDCNBSA-N 0 3 294.395 1.952 20 70 CDIDHN COC[C@@H](C)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000160175504 539115601 /nfs/dbraw/zinc/11/56/01/539115601.db2.gz QWMLDMHKMBELSD-DGCLKSJQSA-N 0 3 254.374 1.545 20 70 CDIDHN Clc1snnc1CN1CCN(c2ccncc2)CC1 ZINC000161391226 539117690 /nfs/dbraw/zinc/11/76/90/539117690.db2.gz OBEJGZUIEBZTMV-UHFFFAOYSA-N 0 3 295.799 1.909 20 70 CDIDHN COC(=O)c1ccc(CNCCC(=O)NC(C)C)cc1 ZINC000159380442 362316676 /nfs/dbraw/zinc/31/66/76/362316676.db2.gz SWKPMKBBOYYNSU-UHFFFAOYSA-N 0 3 278.352 1.478 20 70 CDIDHN Cc1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160361985 237171575 /nfs/dbraw/zinc/17/15/75/237171575.db2.gz JPYKKSBFCZVPHX-GFCCVEGCSA-N 0 3 282.409 1.633 20 70 CDIDHN C[C@H](CNC(=O)N[C@@H](C)CCO)N(C)Cc1ccccc1 ZINC000159591164 364237804 /nfs/dbraw/zinc/23/78/04/364237804.db2.gz CBHUMMHBHVZACZ-UONOGXRCSA-N 0 3 293.411 1.577 20 70 CDIDHN CCC[C@H](N)C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000159643508 364245834 /nfs/dbraw/zinc/24/58/34/364245834.db2.gz TYQYVCKEUKDRJN-LBPRGKRZSA-N 0 3 264.325 1.468 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(F)cc(F)c1 ZINC000160006844 364293075 /nfs/dbraw/zinc/29/30/75/364293075.db2.gz OLAUHSVDVOGWGW-CQSZACIVSA-N 0 3 298.333 1.541 20 70 CDIDHN CSCC[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160423025 364351004 /nfs/dbraw/zinc/35/10/04/364351004.db2.gz WRXUIETUSLWACR-LLVKDONJSA-N 0 3 293.392 1.590 20 70 CDIDHN CCc1cc(=O)[n-]c(CN2CC[NH+](CC3CC3)CC2)n1 ZINC000160925818 364429208 /nfs/dbraw/zinc/42/92/08/364429208.db2.gz MDTXRRCFXQVHPH-UHFFFAOYSA-N 0 3 276.384 1.272 20 70 CDIDHN CC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)N1CCCC1=O ZINC000161246805 367806810 /nfs/dbraw/zinc/80/68/10/367806810.db2.gz WZGWLQRHXQJCLK-BFHYXJOUSA-N 0 3 295.427 1.232 20 70 CDIDHN O=C([C@H]1Cc2ccccc2CN1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159615741 284592485 /nfs/dbraw/zinc/59/24/85/284592485.db2.gz GMXLVYRZQCKJBJ-OWCLPIDISA-N 0 3 285.391 1.054 20 70 CDIDHN CC[C@H](C)OCC(=O)NC1CCN(CCOC)CC1 ZINC000161346496 377572520 /nfs/dbraw/zinc/57/25/20/377572520.db2.gz MCCWIYDKVRHQAM-LBPRGKRZSA-N 0 3 272.389 1.029 20 70 CDIDHN COCCC1(CNC(=O)N(C)CCN(C)C)CC1 ZINC000161176178 390954673 /nfs/dbraw/zinc/95/46/73/390954673.db2.gz KHYRLMXMIHBQRP-UHFFFAOYSA-N 0 3 257.378 1.006 20 70 CDIDHN CC[C@H](C(=O)NC[C@@H](O)C1CCCCC1)N(C)C ZINC000160242413 391502534 /nfs/dbraw/zinc/50/25/34/391502534.db2.gz LNDVCNDVELSKAV-CHWSQXEVSA-N 0 3 256.390 1.384 20 70 CDIDHN NC1(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000160386722 391509439 /nfs/dbraw/zinc/50/94/39/391509439.db2.gz BWTIANLAJDQKAG-LBPRGKRZSA-N 0 3 290.338 1.738 20 70 CDIDHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000161178144 264272816 /nfs/dbraw/zinc/27/28/16/264272816.db2.gz CSXFDGMJRWDBLX-AGIUHOORSA-N 0 3 270.417 1.927 20 70 CDIDHN COCCNCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000159896334 277229488 /nfs/dbraw/zinc/22/94/88/277229488.db2.gz YCXYWZDQKPABCU-LSDHHAIUSA-N 0 3 290.407 1.935 20 70 CDIDHN C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159907020 278372749 /nfs/dbraw/zinc/37/27/49/278372749.db2.gz BINCEBUILQEVMR-BXUZGUMPSA-N 0 3 285.351 1.149 20 70 CDIDHN Cc1cc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160319290 280382631 /nfs/dbraw/zinc/38/26/31/280382631.db2.gz DCDHSEXUFCRWOY-CYBMUJFWSA-N 0 3 280.368 1.473 20 70 CDIDHN CC[C@@H](C(=O)N[C@H](C)C(=O)OC(C)(C)C)N(C)C ZINC000161067589 521858649 /nfs/dbraw/zinc/85/86/49/521858649.db2.gz WZKRNCGOZGMOMI-ZJUUUORDSA-N 0 3 258.362 1.173 20 70 CDIDHN C[C@@H](CO)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000160443713 524785498 /nfs/dbraw/zinc/78/54/98/524785498.db2.gz XHNIEAYKMNBLBF-NSHDSACASA-N 0 3 250.342 1.201 20 70 CDIDHN NC(=O)CC[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000159615243 526874877 /nfs/dbraw/zinc/87/48/77/526874877.db2.gz MXWACECRCPWJSH-ZDUSSCGKSA-N 0 3 286.379 1.812 20 70 CDIDHN COc1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000218168380 536819728 /nfs/dbraw/zinc/81/97/28/536819728.db2.gz QDADTNQYSRBQJY-NEPJUHHUSA-N 0 3 290.363 1.710 20 70 CDIDHN COc1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000218168380 536819734 /nfs/dbraw/zinc/81/97/34/536819734.db2.gz QDADTNQYSRBQJY-NEPJUHHUSA-N 0 3 290.363 1.710 20 70 CDIDHN C[C@@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160909918 361740981 /nfs/dbraw/zinc/74/09/81/361740981.db2.gz SYSRDNBFCQTLPN-SNVBAGLBSA-N 0 3 250.317 1.912 20 70 CDIDHN COCCNCC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000159648123 361761459 /nfs/dbraw/zinc/76/14/59/361761459.db2.gz OMQGTLRZKFDTBO-UHFFFAOYSA-N 0 3 284.787 1.927 20 70 CDIDHN CCCCN(C)CCNC(=O)N[C@H](CC)COC ZINC000159808465 361870218 /nfs/dbraw/zinc/87/02/18/361870218.db2.gz IFFVKHLZRZGOTE-GFCCVEGCSA-N 0 3 259.394 1.443 20 70 CDIDHN CCCC[C@@H](COC)NC(=O)N1CCCN(CC)CC1 ZINC000159883221 361891994 /nfs/dbraw/zinc/89/19/94/361891994.db2.gz CYFKMOCWRKZTPM-AWEZNQCLSA-N 0 3 285.432 1.929 20 70 CDIDHN CC[C@H](C(=O)N(C)CC(=O)OC(C)(C)C)N(C)C ZINC000159520515 362084653 /nfs/dbraw/zinc/08/46/53/362084653.db2.gz HYIFWLFPMXCXSL-SNVBAGLBSA-N 0 3 258.362 1.127 20 70 CDIDHN C[C@@H](CNC(=O)NCc1ncccc1F)N(C)C1CC1 ZINC000159866018 363385184 /nfs/dbraw/zinc/38/51/84/363385184.db2.gz HBNBSATZSGLBTL-JTQLQIEISA-N 0 3 280.347 1.503 20 70 CDIDHN CC(C(=O)NCCc1cc2ccccc2[nH]1)S(C)(=O)=O ZINC000159633122 237156842 /nfs/dbraw/zinc/15/68/42/237156842.db2.gz BDOZIQCNOQFNHG-SNVBAGLBSA-N 0 3 294.376 1.260 20 70 CDIDHN CCCO[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000159469107 361708112 /nfs/dbraw/zinc/70/81/12/361708112.db2.gz OKNPEJQPSGHNIX-KGLIPLIRSA-N 0 3 268.401 1.936 20 70 CDIDHN CCSCCN1CCN(C(=O)CN(CC)CC)CC1 ZINC000160580460 364043304 /nfs/dbraw/zinc/04/33/04/364043304.db2.gz YBDCKFCUOCJNDX-UHFFFAOYSA-N 0 3 287.473 1.226 20 70 CDIDHN CCN(CCNC(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000159391631 364198903 /nfs/dbraw/zinc/19/89/03/364198903.db2.gz PPOQYOQNKLVUTH-UHFFFAOYSA-N 0 3 272.352 1.777 20 70 CDIDHN CCC(CC)(CNCC(=O)Nc1cc(C)no1)C(=O)OC ZINC000159652698 364247177 /nfs/dbraw/zinc/24/71/77/364247177.db2.gz NAQRTPKOVBLNPS-UHFFFAOYSA-N 0 3 297.355 1.491 20 70 CDIDHN COc1cc(CCNC(=O)[C@H](N)CCSC)ccc1C ZINC000160327448 364336079 /nfs/dbraw/zinc/33/60/79/364336079.db2.gz UNSQFBXVFXRPKE-CYBMUJFWSA-N 0 3 296.436 1.743 20 70 CDIDHN CCc1ncnc(NCCN(C)CCCOC)c1F ZINC000160050257 364298485 /nfs/dbraw/zinc/29/84/85/364298485.db2.gz XBNKNOIHEGFVFX-UHFFFAOYSA-N 0 3 270.352 1.558 20 70 CDIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H](O)c1ccccc1 ZINC000161411236 364490054 /nfs/dbraw/zinc/49/00/54/364490054.db2.gz WMSQWAYPWVIRDC-IIAWOOMASA-N 0 3 290.407 1.957 20 70 CDIDHN CCc1ncnc(NC[C@@H]2CCCN(C)C2)c1F ZINC000218011144 140165373 /nfs/dbraw/zinc/16/53/73/140165373.db2.gz DGOAWTDTZGDVOA-JTQLQIEISA-N 0 3 252.337 1.932 20 70 CDIDHN COc1cc(OC)nc(N[C@H](C)CN2CCCCC2)n1 ZINC000159777929 295014450 /nfs/dbraw/zinc/01/44/50/295014450.db2.gz QMQDTSKVHYWTHW-LLVKDONJSA-N 0 3 280.372 1.780 20 70 CDIDHN CC(C)C[C@@H](N)C(=O)Nc1nncn1Cc1ccccc1 ZINC000159631038 482736908 /nfs/dbraw/zinc/73/69/08/482736908.db2.gz SAPXDLZKFVLRIA-CYBMUJFWSA-N 0 3 287.367 1.638 20 70 CDIDHN CC(C)OCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000160378538 482796830 /nfs/dbraw/zinc/79/68/30/482796830.db2.gz WOBFHJMEUQIALT-CQSZACIVSA-N 0 3 262.353 1.415 20 70 CDIDHN CS(=O)(=O)N1CCC[C@H](CN2CCCSCC2)C1 ZINC000161478586 482879791 /nfs/dbraw/zinc/87/97/91/482879791.db2.gz WZPXKORYALEKGP-GFCCVEGCSA-N 0 3 292.470 1.097 20 70 CDIDHN CC[C@H](C)c1cc(C(=O)NC[C@@H]2CCN(C)C2)on1 ZINC000161313629 522031066 /nfs/dbraw/zinc/03/10/66/522031066.db2.gz AJTXDMGIEUVHRN-QWRGUYRKSA-N 0 3 265.357 1.870 20 70 CDIDHN COCCCN(C)CCNC(=O)c1scnc1C ZINC000161063141 523225232 /nfs/dbraw/zinc/22/52/32/523225232.db2.gz DQVPTGYKBYKNJY-UHFFFAOYSA-N 0 3 271.386 1.150 20 70 CDIDHN COC(=O)Cc1cccc(NC(=O)[C@H](N)CCSC)c1 ZINC000159644441 523373730 /nfs/dbraw/zinc/37/37/30/523373730.db2.gz HLOMQKMVZDULKY-GFCCVEGCSA-N 0 3 296.392 1.421 20 70 CDIDHN COc1ccccc1OCCN1CC[C@H](O)[C@H](C)C1 ZINC000159428140 362321265 /nfs/dbraw/zinc/32/12/65/362321265.db2.gz LGGMLLATEVWTGW-OLZOCXBDSA-N 0 3 265.353 1.777 20 70 CDIDHN CC[C@@H]1COCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160742746 346480369 /nfs/dbraw/zinc/48/03/69/346480369.db2.gz NOWVRQUNKUCGOA-ZIAGYGMSSA-N 0 3 281.400 1.291 20 70 CDIDHN COC(=O)c1ccc(NC(=O)[C@H](C)N)cc1Cl ZINC000161061491 360542186 /nfs/dbraw/zinc/54/21/86/360542186.db2.gz BZHOTPRVUADUII-LURJTMIESA-N 0 3 256.689 1.412 20 70 CDIDHN O=C(NCc1nc(C(F)(F)F)cs1)[C@@H]1CCCCN1 ZINC000161002079 361615032 /nfs/dbraw/zinc/61/50/32/361615032.db2.gz WKMJIQXFKJRWJI-ZETCQYMHSA-N 0 3 293.314 1.920 20 70 CDIDHN CCN(C)[C@@H](C(=O)N1CCNCC1)c1ccccc1 ZINC000159420748 364203112 /nfs/dbraw/zinc/20/31/12/364203112.db2.gz SMSMNGIOKIODLX-CQSZACIVSA-N 0 3 261.369 1.111 20 70 CDIDHN CN(C)[C@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC000159362169 364191373 /nfs/dbraw/zinc/19/13/73/364191373.db2.gz ZIIZXKSTXFWNKZ-AWEZNQCLSA-N 0 3 263.385 1.821 20 70 CDIDHN C[C@@H]1C[C@H](N(C)S(C)(=O)=O)CCN1Cc1ccccc1 ZINC000159993217 364290993 /nfs/dbraw/zinc/29/09/93/364290993.db2.gz BSZDJFIDTSVULS-UKRRQHHQSA-N 0 3 296.436 1.931 20 70 CDIDHN CNCC(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000160552466 364372365 /nfs/dbraw/zinc/37/23/65/364372365.db2.gz KCGFPJWLSJRITG-NSHDSACASA-N 0 3 250.342 1.524 20 70 CDIDHN COc1ccc([C@H](C)C(=O)N2CCCNCC2)cc1 ZINC000160860530 364421176 /nfs/dbraw/zinc/42/11/76/364421176.db2.gz MDBAFYFYFSLIDN-LBPRGKRZSA-N 0 3 262.353 1.621 20 70 CDIDHN CCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C)C1 ZINC000218001623 375774873 /nfs/dbraw/zinc/77/48/73/375774873.db2.gz AHXCYFVWNDQNCX-OLZOCXBDSA-N 0 3 253.390 1.912 20 70 CDIDHN CC(C)(C)[C@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159698366 147699594 /nfs/dbraw/zinc/69/95/94/147699594.db2.gz LANJUKHPTJHYCM-MRVPVSSYSA-N 0 3 278.278 1.757 20 70 CDIDHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCC2 ZINC000160993990 286271158 /nfs/dbraw/zinc/27/11/58/286271158.db2.gz VQAYRFDHCQUDCS-IJLUTSLNSA-N 0 3 268.401 1.824 20 70 CDIDHN C[C@@H](N)C(=O)NCCCc1cccc(Br)c1 ZINC000159519877 482681762 /nfs/dbraw/zinc/68/17/62/482681762.db2.gz IGWRBNUZXBTNPB-SECBINFHSA-N 0 3 285.185 1.845 20 70 CDIDHN COC[C@H](NCC(=O)NCc1ccc(OC)cc1)C1CC1 ZINC000161017817 522734471 /nfs/dbraw/zinc/73/44/71/522734471.db2.gz NASGYBQRKJLMCC-HNNXBMFYSA-N 0 3 292.379 1.326 20 70 CDIDHN Cc1noc(COc2ccc(NC(=O)[C@H](C)N)cc2)n1 ZINC000159662839 361761191 /nfs/dbraw/zinc/76/11/91/361761191.db2.gz YSWABXBAPSKMDT-QMMMGPOBSA-N 0 3 276.296 1.243 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cnc(C)nc1C)CC2 ZINC000160405811 282126128 /nfs/dbraw/zinc/12/61/28/282126128.db2.gz RFBPGUBUTABSFS-GXFFZTMASA-N 0 3 286.383 1.659 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cncs1)CC2 ZINC000160401638 282126184 /nfs/dbraw/zinc/12/61/84/282126184.db2.gz MFVOZIQKSQCMQT-WCBMZHEXSA-N 0 3 263.370 1.709 20 70 CDIDHN CCOCCC1(CNC(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000159800164 539114739 /nfs/dbraw/zinc/11/47/39/539114739.db2.gz LHABZFXWEZKSNJ-CQSZACIVSA-N 0 3 297.443 1.834 20 70 CDIDHN CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)N(C)C ZINC000160818862 539116905 /nfs/dbraw/zinc/11/69/05/539116905.db2.gz OFTAFWXGMSSMEK-KBPBESRZSA-N 0 3 295.427 1.234 20 70 CDIDHN CC[C@H](N)C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000217111650 342439454 /nfs/dbraw/zinc/43/94/54/342439454.db2.gz LSAYYFOLVNTQTO-IXKAHESDSA-N 0 3 250.386 1.912 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2CCC[C@@H]2C)CC1 ZINC000159826657 363356650 /nfs/dbraw/zinc/35/66/50/363356650.db2.gz VXMLTFDWRCCDID-QWHCGFSZSA-N 0 3 253.390 1.912 20 70 CDIDHN Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)ncn1 ZINC000161293148 538853478 /nfs/dbraw/zinc/85/34/78/538853478.db2.gz IVBYPYTVQKEEMI-UHFFFAOYSA-N 0 3 283.335 1.142 20 70 CDIDHN Cc1cc(NC(=O)[C@@H]2CCCCN2)ccc1C(=O)N(C)C ZINC000160517348 359609012 /nfs/dbraw/zinc/60/90/12/359609012.db2.gz NBCPHNBYRPFQQO-AWEZNQCLSA-N 0 3 289.379 1.777 20 70 CDIDHN NC(=O)CC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000159823931 364270167 /nfs/dbraw/zinc/27/01/67/364270167.db2.gz NWJIHLMJLMRUML-UHFFFAOYSA-N 0 3 299.378 1.559 20 70 CDIDHN Cc1c(CNC(=O)NCCN2CCC(C)CC2)cnn1C ZINC000160217973 364319374 /nfs/dbraw/zinc/31/93/74/364319374.db2.gz XGMNSEFEGPYCMX-UHFFFAOYSA-N 0 3 293.415 1.260 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000159952870 364284455 /nfs/dbraw/zinc/28/44/55/364284455.db2.gz SJJSKJILOBVGDG-AAEUAGOBSA-N 0 3 293.342 1.031 20 70 CDIDHN C[C@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160170776 364314297 /nfs/dbraw/zinc/31/42/97/364314297.db2.gz AQQISKRVYPAXAF-QMMMGPOBSA-N 0 3 294.742 1.396 20 70 CDIDHN CCOCCCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000160392495 286056675 /nfs/dbraw/zinc/05/66/75/286056675.db2.gz FZIMTQUXRDOPJP-AWEZNQCLSA-N 0 3 284.400 1.126 20 70 CDIDHN CCCn1nccc1CNCC(C)(C)N1CCN(C)CC1 ZINC000159989922 482775930 /nfs/dbraw/zinc/77/59/30/482775930.db2.gz GDDXAOCHXZHYJI-UHFFFAOYSA-N 0 3 293.459 1.409 20 70 CDIDHN COc1cccc(O[C@H](C)CNC(=O)[C@H](N)CC(C)C)c1 ZINC000161127049 482862802 /nfs/dbraw/zinc/86/28/02/482862802.db2.gz GVQOZBHQUWIXED-IUODEOHRSA-N 0 3 294.395 1.952 20 70 CDIDHN CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000160761776 519221851 /nfs/dbraw/zinc/22/18/51/519221851.db2.gz JUCFKZCWVHMPGX-ZFWWWQNUSA-N 0 3 298.427 1.153 20 70 CDIDHN CCCN1CCCN(C(=O)c2ccc(COC)o2)CC1 ZINC000160363408 519851122 /nfs/dbraw/zinc/85/11/22/519851122.db2.gz XVNWWHGWUWLEQR-UHFFFAOYSA-N 0 3 280.368 1.984 20 70 CDIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000160728764 520647106 /nfs/dbraw/zinc/64/71/06/520647106.db2.gz SKILFUSXFDKPAE-TVRNETQVSA-N 0 3 292.423 1.777 20 70 CDIDHN CCCC[C@H](COC)NC(=O)N1CCCN(CC)CC1 ZINC000159883352 361891083 /nfs/dbraw/zinc/89/10/83/361891083.db2.gz CYFKMOCWRKZTPM-CQSZACIVSA-N 0 3 285.432 1.929 20 70 CDIDHN COC1(CNC(=O)[C@@H](C)N2CCCCCC2)CCOCC1 ZINC000159406296 539114083 /nfs/dbraw/zinc/11/40/83/539114083.db2.gz PQKWPZHWFVWBFO-CQSZACIVSA-N 0 3 298.427 1.563 20 70 CDIDHN Cc1cc(CN2CCN(c3ccncc3)CC2)no1 ZINC000161364490 539117606 /nfs/dbraw/zinc/11/76/06/539117606.db2.gz MAAMZJYPLSKGKU-UHFFFAOYSA-N 0 3 258.325 1.700 20 70 CDIDHN Cc1cccc([C@@H]2CCCN2CC2(CO)COC2)n1 ZINC000160145895 362038196 /nfs/dbraw/zinc/03/81/96/362038196.db2.gz JNTGIISFLJKLCP-AWEZNQCLSA-N 0 3 262.353 1.536 20 70 CDIDHN CCC[C@@H]1CN(Cc2nnc(CC)[nH]2)CCN1CCOC ZINC000160192769 362050260 /nfs/dbraw/zinc/05/02/60/362050260.db2.gz YVDRGHSLBKZSHB-CYBMUJFWSA-N 0 3 295.431 1.300 20 70 CDIDHN CCC[C@@H]1CN(Cc2nnc(CC)[n-]2)CC[N@@H+]1CCOC ZINC000160192769 362050270 /nfs/dbraw/zinc/05/02/70/362050270.db2.gz YVDRGHSLBKZSHB-CYBMUJFWSA-N 0 3 295.431 1.300 20 70 CDIDHN CCC[C@@H]1CN(Cc2nnc(CC)[n-]2)CC[N@H+]1CCOC ZINC000160192769 362050273 /nfs/dbraw/zinc/05/02/73/362050273.db2.gz YVDRGHSLBKZSHB-CYBMUJFWSA-N 0 3 295.431 1.300 20 70 CDIDHN CCCC[C@H](COC)NC(=O)[C@H](N)Cc1ccccc1 ZINC000161165692 362707303 /nfs/dbraw/zinc/70/73/03/362707303.db2.gz NJZUUUJAHFEVMJ-HUUCEWRRSA-N 0 3 278.396 1.878 20 70 CDIDHN Cc1ccccc1O[C@@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000161174707 358790361 /nfs/dbraw/zinc/79/03/61/358790361.db2.gz KNIZLQVBLJFQJV-SWLSCSKDSA-N 0 3 280.343 1.580 20 70 CDIDHN CCN(C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000159414026 361698607 /nfs/dbraw/zinc/69/86/07/361698607.db2.gz CUMNOVCFMITQFQ-ZDUSSCGKSA-N 0 3 296.436 1.868 20 70 CDIDHN CNCC(=O)NCC1(c2ccccc2Br)CC1 ZINC000160594321 364381387 /nfs/dbraw/zinc/38/13/87/364381387.db2.gz YIRTVYWBBSXITM-UHFFFAOYSA-N 0 3 297.196 1.816 20 70 CDIDHN CN(CCCN1CCN(C)CC1)Cc1ccsc1 ZINC000161310045 364476121 /nfs/dbraw/zinc/47/61/21/364476121.db2.gz IGXCVIWISVDCAQ-UHFFFAOYSA-N 0 3 267.442 1.817 20 70 CDIDHN CCC[C@H](N)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000161409361 364844392 /nfs/dbraw/zinc/84/43/92/364844392.db2.gz OEYRUGCFPZTVNX-LBPRGKRZSA-N 0 3 281.331 1.593 20 70 CDIDHN CC(C)(N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161191304 367576243 /nfs/dbraw/zinc/57/62/43/367576243.db2.gz KLTNYDPJHNFTTR-UHFFFAOYSA-N 0 3 250.224 1.121 20 70 CDIDHN CC(C)C[C@H](CO)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000161079465 279171993 /nfs/dbraw/zinc/17/19/93/279171993.db2.gz HRZLQBYTQIDJAE-ZIAGYGMSSA-N 0 3 270.417 1.774 20 70 CDIDHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)cc1 ZINC000217956032 280089703 /nfs/dbraw/zinc/08/97/03/280089703.db2.gz WPNIEFANLWQRTI-HUUCEWRRSA-N 0 3 276.380 1.639 20 70 CDIDHN CC[C@@H](O)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161263727 292803337 /nfs/dbraw/zinc/80/33/37/292803337.db2.gz ZVGNILIVQRDXDI-ZJUUUORDSA-N 0 3 255.280 1.393 20 70 CDIDHN CCc1cccc(OC[C@H](O)CNCC(=O)N(C)CC)c1 ZINC000218113063 329468113 /nfs/dbraw/zinc/46/81/13/329468113.db2.gz OIWPZWGNKQTCHH-CQSZACIVSA-N 0 3 294.395 1.057 20 70 CDIDHN CN(CCCN1CCN(C)CC1)Cc1cscn1 ZINC000161459577 522751698 /nfs/dbraw/zinc/75/16/98/522751698.db2.gz BDIDDPJANZKVFF-UHFFFAOYSA-N 0 3 268.430 1.212 20 70 CDIDHN CCN(C)CCNC(=O)NCCc1ccncc1C ZINC000160133862 527795612 /nfs/dbraw/zinc/79/56/12/527795612.db2.gz IETFPGPOIRIZTR-UHFFFAOYSA-N 0 3 264.373 1.183 20 70 CDIDHN COC(=O)c1cc(CN(C)C[C@H]2CCC[C@@H]2O)oc1C ZINC000159846752 361878235 /nfs/dbraw/zinc/87/82/35/361878235.db2.gz RDZQQFOTIAZRNE-RISCZKNCSA-N 0 3 281.352 1.967 20 70 CDIDHN COc1cc(CN[C@@H](CO)C(C)C)cc2c1OCO2 ZINC000159907766 362378560 /nfs/dbraw/zinc/37/85/60/362378560.db2.gz LOVNGGHAYWOBSR-NSHDSACASA-N 0 3 267.325 1.530 20 70 CDIDHN C[C@@H]1CC(NC(=O)NC2CCN(C)CC2)C[C@@H](C)O1 ZINC000159708225 362502140 /nfs/dbraw/zinc/50/21/40/362502140.db2.gz UDPDKQOTUFMTAS-GHMZBOCLSA-N 0 3 269.389 1.336 20 70 CDIDHN CC(C)(C)C1CCC(CN2CCN(CC(N)=O)CC2)CC1 ZINC000159697277 345257102 /nfs/dbraw/zinc/25/71/02/345257102.db2.gz UKWQCVNONIGRFJ-UHFFFAOYSA-N 0 3 295.471 1.942 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H]2CCCSC2)CC1 ZINC000159946186 362770933 /nfs/dbraw/zinc/77/09/33/362770933.db2.gz AXSHIHJBBFCREW-LBPRGKRZSA-N 0 3 271.430 1.619 20 70 CDIDHN CC[C@H](C(=O)NCc1cccc2c1OCO2)N(C)C ZINC000160297655 188464967 /nfs/dbraw/zinc/46/49/67/188464967.db2.gz JHQCOKQTEXALCY-LLVKDONJSA-N 0 3 264.325 1.372 20 70 CDIDHN C[C@@H]1CN(CCCn2c3ccccc3[nH]c2=O)CC[C@@H]1O ZINC000159419884 358506365 /nfs/dbraw/zinc/50/63/65/358506365.db2.gz RYNQZRBZYXVDAU-DOMZBBRYSA-N 0 3 289.379 1.422 20 70 CDIDHN COc1cccc2c1CC[C@H]2NC(=O)C(C)S(C)(=O)=O ZINC000159954875 363499822 /nfs/dbraw/zinc/49/98/22/363499822.db2.gz MZQBIJHUNMWOAQ-BXKDBHETSA-N 0 3 297.376 1.232 20 70 CDIDHN CC(C)C(=O)NCCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000159973671 363536577 /nfs/dbraw/zinc/53/65/77/363536577.db2.gz WWVIICYWRDTCSQ-ZDUSSCGKSA-N 0 3 295.358 1.104 20 70 CDIDHN COc1cc(CCNC(=O)[C@@H](N)CCSC)ccc1C ZINC000160327556 364336757 /nfs/dbraw/zinc/33/67/57/364336757.db2.gz UNSQFBXVFXRPKE-ZDUSSCGKSA-N 0 3 296.436 1.743 20 70 CDIDHN COc1cc(F)c([C@@H](C)NC(=O)[C@H](C)N)cc1OC ZINC000159962392 364287919 /nfs/dbraw/zinc/28/79/19/364287919.db2.gz CEMLASOCGWZGNT-JGVFFNPUSA-N 0 3 270.304 1.367 20 70 CDIDHN COC(=O)c1cc(NC(=O)[C@@H]2CCCCN2)ccc1C ZINC000161489553 364501858 /nfs/dbraw/zinc/50/18/58/364501858.db2.gz ILSGEBHHZXUSPS-ZDUSSCGKSA-N 0 3 276.336 1.862 20 70 CDIDHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000161507714 375651304 /nfs/dbraw/zinc/65/13/04/375651304.db2.gz AWWYCMWXFNFVJQ-QEJZJMRPSA-N 0 3 278.396 1.988 20 70 CDIDHN CN1CCC(NC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000160247347 377040696 /nfs/dbraw/zinc/04/06/96/377040696.db2.gz PNXRKSDWMSXLMC-UHFFFAOYSA-N 0 3 281.400 1.036 20 70 CDIDHN CC[C@@H](C)[C@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000160354832 391508039 /nfs/dbraw/zinc/50/80/39/391508039.db2.gz RCISVOYNUALGMK-YPMHNXCESA-N 0 3 256.390 1.635 20 70 CDIDHN CCC[C@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000161445522 276047580 /nfs/dbraw/zinc/04/75/80/276047580.db2.gz NYZXUBSLQRHWSE-UONOGXRCSA-N 0 3 268.401 1.794 20 70 CDIDHN Cc1nc(CC(=O)N2CC[C@@H](N3CCCC3)C2)c(C)s1 ZINC000161338029 292804671 /nfs/dbraw/zinc/80/46/71/292804671.db2.gz XOJPENDPPVQODM-CYBMUJFWSA-N 0 3 293.436 1.999 20 70 CDIDHN CC[C@H](C)c1cc(C(=O)NCCCN(C)CCOC)on1 ZINC000160435200 522027635 /nfs/dbraw/zinc/02/76/35/522027635.db2.gz WPJQPTBWOSPQDM-LBPRGKRZSA-N 0 3 297.399 1.886 20 70 CDIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cccc2c1OCO2 ZINC000159562145 361738197 /nfs/dbraw/zinc/73/81/97/361738197.db2.gz WLCTWUHNLXOBBX-PWSUYJOCSA-N 0 3 276.336 1.501 20 70 CDIDHN CC(C)COCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000159712143 361806992 /nfs/dbraw/zinc/80/69/92/361806992.db2.gz GORDLFQZWSUXLH-CYBMUJFWSA-N 0 3 258.406 1.752 20 70 CDIDHN CCCNC(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000161383319 539117619 /nfs/dbraw/zinc/11/76/19/539117619.db2.gz WHXBINWZGYXAIN-CYBMUJFWSA-N 0 3 276.384 1.118 20 70 CDIDHN CSCC[C@@H](N)C(=O)NCCC(=O)Nc1ccccc1 ZINC000160023653 362005932 /nfs/dbraw/zinc/00/59/32/362005932.db2.gz HJVPCWMZFXOVSS-GFCCVEGCSA-N 0 3 295.408 1.212 20 70 CDIDHN CC[C@@H](COC)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159448279 344957982 /nfs/dbraw/zinc/95/79/82/344957982.db2.gz ASXQTBUOJVGLJM-RYUDHWBXSA-N 0 3 257.378 1.052 20 70 CDIDHN C[C@H](C1CC1)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160716592 346220998 /nfs/dbraw/zinc/22/09/98/346220998.db2.gz SORLFPNESADPSQ-RISCZKNCSA-N 0 3 265.401 1.911 20 70 CDIDHN CNCC(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000161399107 362934502 /nfs/dbraw/zinc/93/45/02/362934502.db2.gz AGDOJPWSUNMGRK-SECBINFHSA-N 0 3 256.733 1.443 20 70 CDIDHN CCN1CCN(CCCNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000160441635 358639296 /nfs/dbraw/zinc/63/92/96/358639296.db2.gz XSDXRXFELUIDGA-HZPDHXFCSA-N 0 3 295.471 1.957 20 70 CDIDHN c1ncn(C2CCN(CCOCC3CC3)CC2)n1 ZINC000159907990 237161835 /nfs/dbraw/zinc/16/18/35/237161835.db2.gz CLOMCSSRIQDXJX-UHFFFAOYSA-N 0 3 250.346 1.342 20 70 CDIDHN COCCNCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000159430774 361696875 /nfs/dbraw/zinc/69/68/75/361696875.db2.gz VBRDXWOSGFIGNG-SWLSCSKDSA-N 0 3 294.370 1.971 20 70 CDIDHN Cn1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159405020 364199640 /nfs/dbraw/zinc/19/96/40/364199640.db2.gz ZMCOYZLFXMEIJV-CQSZACIVSA-N 0 3 299.440 1.319 20 70 CDIDHN Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCCN1 ZINC000159841552 364272145 /nfs/dbraw/zinc/27/21/45/364272145.db2.gz PJMUSCRYYCAURI-UONOGXRCSA-N 0 3 262.353 1.287 20 70 CDIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000159897138 364277945 /nfs/dbraw/zinc/27/79/45/364277945.db2.gz XEMZEXPIZQWOCO-CMPLNLGQSA-N 0 3 295.408 1.210 20 70 CDIDHN CC[C@@H](C(=O)NCCN1c2ccccc2CC1=O)N(C)C ZINC000160140387 364311389 /nfs/dbraw/zinc/31/13/89/364311389.db2.gz UVDWZFBKTIDCQN-ZDUSSCGKSA-N 0 3 289.379 1.032 20 70 CDIDHN Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H](C)N)cc1 ZINC000160770893 364407571 /nfs/dbraw/zinc/40/75/71/364407571.db2.gz TWVVWORUAFJEAV-YPMHNXCESA-N 0 3 264.394 1.959 20 70 CDIDHN Cc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1C ZINC000160406509 364347026 /nfs/dbraw/zinc/34/70/26/364347026.db2.gz QUINSFVUXZZLDI-OAHLLOKOSA-N 0 3 290.407 1.880 20 70 CDIDHN CC[C@H](N)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160963189 364434057 /nfs/dbraw/zinc/43/40/57/364434057.db2.gz NASFZPRDAWIJEU-UONOGXRCSA-N 0 3 280.368 1.361 20 70 CDIDHN Cc1c(/C=C/C(=O)N[C@H](CC(C)C)CN(C)C)cnn1C ZINC000161175978 364459590 /nfs/dbraw/zinc/45/95/90/364459590.db2.gz IWDASIIIDYSVFK-MVGZEHJDSA-N 0 3 292.427 1.834 20 70 CDIDHN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H](C)N ZINC000160831879 364416307 /nfs/dbraw/zinc/41/63/07/364416307.db2.gz TUVZNLOISCRUEA-RISCZKNCSA-N 0 3 282.359 1.691 20 70 CDIDHN CC(C)[C@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161194367 367581186 /nfs/dbraw/zinc/58/11/86/367581186.db2.gz CAWCGOBIXBRKLN-QMMMGPOBSA-N 0 3 264.251 1.367 20 70 CDIDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)s1 ZINC000160610397 377097516 /nfs/dbraw/zinc/09/75/16/377097516.db2.gz HIMUTHZQHLPFSP-UHFFFAOYSA-N 0 3 282.409 1.491 20 70 CDIDHN CC[C@H](C)[C@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)OC ZINC000217911833 140164555 /nfs/dbraw/zinc/16/45/55/140164555.db2.gz CVVVKBVWDYADJQ-LNSITVRQSA-N 0 3 292.379 1.780 20 70 CDIDHN COCCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000160565597 342483043 /nfs/dbraw/zinc/48/30/43/342483043.db2.gz YKBOTGQSAZXFEZ-STQMWFEESA-N 0 3 254.374 1.404 20 70 CDIDHN Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C[NH3+])cc1 ZINC000159591354 342072773 /nfs/dbraw/zinc/07/27/73/342072773.db2.gz BNYCDALKIBESLZ-UHFFFAOYSA-N 0 3 295.364 1.229 20 70 CDIDHN C[C@@H](CCO)CNCc1cncc(Br)c1 ZINC000160585655 362451341 /nfs/dbraw/zinc/45/13/41/362451341.db2.gz QNLCJIZITCVNFD-VIFPVBQESA-N 0 3 273.174 1.952 20 70 CDIDHN CN1CCN(C)[C@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000160939882 362562606 /nfs/dbraw/zinc/56/26/06/362562606.db2.gz RWVJTGCLSJWTFN-CQSZACIVSA-N 0 3 285.794 1.815 20 70 CDIDHN COCCN(CC(C)C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160762150 346579811 /nfs/dbraw/zinc/57/98/11/346579811.db2.gz WSYOZCKNRMFISA-OAHLLOKOSA-N 0 3 297.443 1.785 20 70 CDIDHN O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CCC[C@@H]1O ZINC000161204040 365962160 /nfs/dbraw/zinc/96/21/60/365962160.db2.gz LUJQNFWJTSJGSI-KBPBESRZSA-N 0 3 296.411 1.051 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000159984130 188450101 /nfs/dbraw/zinc/45/01/01/188450101.db2.gz PCCOUBKYFDIZOR-OAHLLOKOSA-N 0 3 276.380 1.572 20 70 CDIDHN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CN ZINC000159772925 363294826 /nfs/dbraw/zinc/29/48/26/363294826.db2.gz RPCAMXBOIQGQKK-LBPRGKRZSA-N 0 3 268.332 1.694 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1F ZINC000160426182 237178376 /nfs/dbraw/zinc/17/83/76/237178376.db2.gz BVLUUMYSCIIAAU-CQSZACIVSA-N 0 3 294.370 1.711 20 70 CDIDHN CCCO[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000159469367 359965216 /nfs/dbraw/zinc/96/52/16/359965216.db2.gz OKNPEJQPSGHNIX-ZIAGYGMSSA-N 0 3 268.401 1.936 20 70 CDIDHN Cn1cnnc1CN1CCCN(Cc2ccccc2)CC1 ZINC000160736588 360858871 /nfs/dbraw/zinc/85/88/71/360858871.db2.gz OWCODXWEQYFQAN-UHFFFAOYSA-N 0 3 285.395 1.523 20 70 CDIDHN COc1ccc(CCN(CC(C)C)C(=O)CN)cc1OC ZINC000160882640 361496643 /nfs/dbraw/zinc/49/66/43/361496643.db2.gz ZRTPFSNPUYPXRF-UHFFFAOYSA-N 0 3 294.395 1.690 20 70 CDIDHN COCCN(C)CCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000159386800 364197341 /nfs/dbraw/zinc/19/73/41/364197341.db2.gz RIXMUBDOJBKLLE-RBZFPXEDSA-N 0 3 298.452 1.653 20 70 CDIDHN C[C@@H](CNC(=O)NCC1(C2CC2)CC1)N(C)C1CC1 ZINC000159867374 364276178 /nfs/dbraw/zinc/27/61/78/364276178.db2.gz TXMFMEAVHUARRF-NSHDSACASA-N 0 3 265.401 1.959 20 70 CDIDHN Cc1noc([C@@H]2CCCN(CCn3ccnc3)C2)n1 ZINC000159773434 364264369 /nfs/dbraw/zinc/26/43/69/364264369.db2.gz XKVUMWBHQJKEER-GFCCVEGCSA-N 0 3 261.329 1.454 20 70 CDIDHN CCOc1cc(CCCNC(=O)[C@H](C)N)ccc1OC ZINC000160062649 364300623 /nfs/dbraw/zinc/30/06/23/364300623.db2.gz LBIZWMNWQGAUCN-NSHDSACASA-N 0 3 280.368 1.490 20 70 CDIDHN C[C@@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000160172239 364315178 /nfs/dbraw/zinc/31/51/78/364315178.db2.gz AQQISKRVYPAXAF-MRVPVSSYSA-N 0 3 294.742 1.396 20 70 CDIDHN CN(C)CCNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160748135 364405887 /nfs/dbraw/zinc/40/58/87/364405887.db2.gz YNJGFZLQBHWODC-LSDHHAIUSA-N 0 3 291.395 1.768 20 70 CDIDHN CCn1cc([C@H](C)N[C@H](CCO)CSC)cn1 ZINC000160294746 364630342 /nfs/dbraw/zinc/63/03/42/364630342.db2.gz SFKKFWFFCVODSJ-CMPLNLGQSA-N 0 3 257.403 1.668 20 70 CDIDHN CCN(C)C(=O)CNC[C@H](O)COc1ccc(C)cc1C ZINC000218177965 373742313 /nfs/dbraw/zinc/74/23/13/373742313.db2.gz BENJVWAKABCERR-AWEZNQCLSA-N 0 3 294.395 1.111 20 70 CDIDHN CC(C)(O)CN1CCN(C[C@@H]2CCC(C)(C)O2)CC1 ZINC000160834841 392515275 /nfs/dbraw/zinc/51/52/75/392515275.db2.gz KIUKUAKEIGRCLQ-ZDUSSCGKSA-N 0 3 270.417 1.333 20 70 CDIDHN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H](C)N ZINC000159783079 139905229 /nfs/dbraw/zinc/90/52/29/139905229.db2.gz RRPNTGHMWPNSOB-JTQLQIEISA-N 0 3 297.786 1.864 20 70 CDIDHN C[C@@H](N)C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160124706 534286469 /nfs/dbraw/zinc/28/64/69/534286469.db2.gz GKKQEQBCEWMYDS-DOMZBBRYSA-N 0 3 276.380 1.934 20 70 CDIDHN CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000160812636 520828291 /nfs/dbraw/zinc/82/82/91/520828291.db2.gz XIIILFIFEFDKGP-ZYHUDNBSSA-N 0 3 258.362 1.031 20 70 CDIDHN CN(C(=O)c1cnc2c(c1)ncn2C)[C@H]1CCCN(C)C1 ZINC000160606280 523959611 /nfs/dbraw/zinc/95/96/11/523959611.db2.gz VEUHDUXFTZGGTM-LBPRGKRZSA-N 0 3 287.367 1.135 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159728376 361815151 /nfs/dbraw/zinc/81/51/51/361815151.db2.gz ZCFMXZMFCCKODY-CYBMUJFWSA-N 0 3 293.415 1.249 20 70 CDIDHN COCCN(CCCCS(C)(=O)=O)CC(C)C ZINC000161411230 539117694 /nfs/dbraw/zinc/11/76/94/539117694.db2.gz FEHUVNMWKYFIKN-UHFFFAOYSA-N 0 3 265.419 1.416 20 70 CDIDHN COc1cc(NC(=O)C[C@H]2CSCCN2)ccc1F ZINC000160319536 362412324 /nfs/dbraw/zinc/41/23/24/362412324.db2.gz LYJNQNLJDBBZJP-JTQLQIEISA-N 0 3 284.356 1.868 20 70 CDIDHN C[C@@H](CCO)NCc1cncc(Br)c1 ZINC000160593873 362454510 /nfs/dbraw/zinc/45/45/10/362454510.db2.gz IXCDGLLJMHJOHF-QMMMGPOBSA-N 0 3 259.147 1.705 20 70 CDIDHN CN(C)C[C@H]1CN(Cc2ccnc(Cl)c2)CCO1 ZINC000216935050 358971522 /nfs/dbraw/zinc/97/15/22/358971522.db2.gz ASMPDINRTOJZBZ-LBPRGKRZSA-N 0 3 269.776 1.497 20 70 CDIDHN CCn1nccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159464027 360193889 /nfs/dbraw/zinc/19/38/89/360193889.db2.gz CPZDXTSHUUPDQP-IHRRRGAJSA-N 0 3 261.369 1.950 20 70 CDIDHN C[C@@H]1CCCC[C@@H]1OCCN(C)CC(C)(CO)CO ZINC000159564060 364235540 /nfs/dbraw/zinc/23/55/40/364235540.db2.gz HIQBLKBKHKHDNM-KGLIPLIRSA-N 0 3 273.417 1.504 20 70 CDIDHN CSCC[C@@H](N)C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159504692 364224282 /nfs/dbraw/zinc/22/42/82/364224282.db2.gz NTZVSLBAIDOVQM-LLVKDONJSA-N 0 3 291.380 1.491 20 70 CDIDHN Cc1ccc(F)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160213384 364320234 /nfs/dbraw/zinc/32/02/34/364320234.db2.gz MUQCXWUDJCFZLY-CYBMUJFWSA-N 0 3 294.370 1.711 20 70 CDIDHN CC[C@@H](C(=O)NCc1cccc2c1OCO2)N(C)C ZINC000160297533 364330576 /nfs/dbraw/zinc/33/05/76/364330576.db2.gz JHQCOKQTEXALCY-NSHDSACASA-N 0 3 264.325 1.372 20 70 CDIDHN Cc1cnc(C(=O)NC[C@H]2CCCN2CC(C)C)cn1 ZINC000160514719 364365845 /nfs/dbraw/zinc/36/58/45/364365845.db2.gz BBQMSCYGHDNDEO-CYBMUJFWSA-N 0 3 276.384 1.635 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)cn1 ZINC000160677361 364392393 /nfs/dbraw/zinc/39/23/93/364392393.db2.gz JJAVEMOFQGMEMG-GFCCVEGCSA-N 0 3 297.786 1.312 20 70 CDIDHN CSCC[C@@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161194816 364462311 /nfs/dbraw/zinc/46/23/11/364462311.db2.gz MFDZUGZHJFVLNV-MRVPVSSYSA-N 0 3 296.318 1.464 20 70 CDIDHN CCCN(CCO)Cc1ccccc1OCC(=O)N(C)C ZINC000161218993 364465150 /nfs/dbraw/zinc/46/51/50/364465150.db2.gz CDGIMGBGXYQLHE-UHFFFAOYSA-N 0 3 294.395 1.358 20 70 CDIDHN Cc1ccc(-c2n[nH]c(NC(=O)CN(C)C)c2C)o1 ZINC000161408415 364489219 /nfs/dbraw/zinc/48/92/19/364489219.db2.gz BHVIVPWLYIUQMY-UHFFFAOYSA-N 0 3 262.313 1.787 20 70 CDIDHN CCc1c(C(=O)NC2CCN(C)CC2)cnn1CC(C)C ZINC000160247176 377040944 /nfs/dbraw/zinc/04/09/44/377040944.db2.gz QIIBTPMASSVMCA-UHFFFAOYSA-N 0 3 292.427 1.926 20 70 CDIDHN NC[C@@H]1CCCN1C(=O)CCC(=O)c1cccs1 ZINC000160126093 377049141 /nfs/dbraw/zinc/04/91/41/377049141.db2.gz KODAWGGOFLAQSP-JTQLQIEISA-N 0 3 266.366 1.661 20 70 CDIDHN CCN(CCCO)CCCn1c(=O)[nH]c2ccccc21 ZINC000161430904 377620925 /nfs/dbraw/zinc/62/09/25/377620925.db2.gz CCZONGURFNMAOC-UHFFFAOYSA-N 0 3 277.368 1.424 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000159896761 285213565 /nfs/dbraw/zinc/21/35/65/285213565.db2.gz FBJFJQSJVLWJHG-MJBXVCDLSA-N 0 3 295.427 1.537 20 70 CDIDHN C[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000161189211 264272576 /nfs/dbraw/zinc/27/25/76/264272576.db2.gz LZGOIDVPFUBZDU-HZGVNTEJSA-N 0 3 264.222 1.893 20 70 CDIDHN CC(C)C[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000161476624 275904221 /nfs/dbraw/zinc/90/42/21/275904221.db2.gz AZWOAQIRDHCZQU-JSGCOSHPSA-N 0 3 256.365 1.973 20 70 CDIDHN COC(=O)C[C@@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000160479721 292787783 /nfs/dbraw/zinc/78/77/83/292787783.db2.gz KGNSSZUSHYNFLW-GFCCVEGCSA-N 0 3 292.379 1.564 20 70 CDIDHN Cc1nc([C@@H](NC(=O)[C@H](C)N)c2ccccc2F)no1 ZINC000160137958 362036273 /nfs/dbraw/zinc/03/62/73/362036273.db2.gz YYNUXVGQTQDLDK-CPCISQLKSA-N 0 3 278.287 1.070 20 70 CDIDHN CC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160143267 362038265 /nfs/dbraw/zinc/03/82/65/362038265.db2.gz OOCHMQSYLWECRF-QWHCGFSZSA-N 0 3 275.352 1.036 20 70 CDIDHN C[C@H](CO)CNCc1cncc(Br)c1 ZINC000160582752 362451705 /nfs/dbraw/zinc/45/17/05/362451705.db2.gz YBFFHMIZQSLFCM-QMMMGPOBSA-N 0 3 259.147 1.562 20 70 CDIDHN O=C(CNC1Cc2ccccc2C1)NCC(F)(F)F ZINC000160591300 362452488 /nfs/dbraw/zinc/45/24/88/362452488.db2.gz SLRMNSNLSQVCFA-UHFFFAOYSA-N 0 3 272.270 1.422 20 70 CDIDHN CCCCN(CCO)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160620881 346179915 /nfs/dbraw/zinc/17/99/15/346179915.db2.gz FQIGVKTZXAYAQQ-CQSZACIVSA-N 0 3 283.416 1.275 20 70 CDIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N[C@H]1CCCC[C@@H]1O ZINC000160732211 346280609 /nfs/dbraw/zinc/28/06/09/346280609.db2.gz VCFBHWKKHMVICM-RDBSUJKOSA-N 0 3 281.400 1.073 20 70 CDIDHN CC(C)C[C@H](N)C(=O)Nc1nncn1Cc1ccccc1 ZINC000159630951 363086338 /nfs/dbraw/zinc/08/63/38/363086338.db2.gz SAPXDLZKFVLRIA-ZDUSSCGKSA-N 0 3 287.367 1.638 20 70 CDIDHN COCCN1CCC(NC(=O)NC[C@H](C)SC)CC1 ZINC000159732000 363249838 /nfs/dbraw/zinc/24/98/38/363249838.db2.gz AKOPPYFXWPHAEN-NSHDSACASA-N 0 3 289.445 1.148 20 70 CDIDHN C[C@H](CS(C)(=O)=O)N(C)CCCN1CCCCC1 ZINC000161074676 237191237 /nfs/dbraw/zinc/19/12/37/237191237.db2.gz FLRKMRQIHRGCIB-CYBMUJFWSA-N 0 3 276.446 1.227 20 70 CDIDHN CC(=O)N(Cc1ccc(NC(=O)[C@H](C)N)cc1)C1CC1 ZINC000160952322 360095737 /nfs/dbraw/zinc/09/57/37/360095737.db2.gz IYORQGKWUXMPBU-JTQLQIEISA-N 0 3 275.352 1.483 20 70 CDIDHN CCN(CCNCc1cn2ccccc2n1)C1CC1 ZINC000218319677 361213498 /nfs/dbraw/zinc/21/34/98/361213498.db2.gz UJCNXVUKCAZCED-UHFFFAOYSA-N 0 3 258.369 1.908 20 70 CDIDHN Cc1ccccc1[C@H](O)CNC(=O)[C@H](N)C(C)C ZINC000159843885 364273671 /nfs/dbraw/zinc/27/36/71/364273671.db2.gz QVJMFZNEIHZUTF-CHWSQXEVSA-N 0 3 250.342 1.128 20 70 CDIDHN C[C@H]1C[C@@H](N(C)S(C)(=O)=O)CCN1Cc1ccccc1 ZINC000159993542 364290375 /nfs/dbraw/zinc/29/03/75/364290375.db2.gz BSZDJFIDTSVULS-ZFWWWQNUSA-N 0 3 296.436 1.931 20 70 CDIDHN CC(C)(C)OC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC000218069843 367259427 /nfs/dbraw/zinc/25/94/27/367259427.db2.gz BDHOVCBFNBHWNQ-UHFFFAOYSA-N 0 3 293.367 1.400 20 70 CDIDHN CSC[C@@](C)(O)CNCc1c[nH]nc1-c1cccnc1 ZINC000217844786 367259463 /nfs/dbraw/zinc/25/94/63/367259463.db2.gz ITGSUHNEZZKHPC-AWEZNQCLSA-N 0 3 292.408 1.675 20 70 CDIDHN C[C@H](N)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449413 375371480 /nfs/dbraw/zinc/37/14/80/375371480.db2.gz LEJUYYHOICIBKF-CMPLNLGQSA-N 0 3 278.327 1.594 20 70 CDIDHN C[C@]1(O)CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000160092594 375691741 /nfs/dbraw/zinc/69/17/41/375691741.db2.gz TZDLRTVKRMXBSN-HNNXBMFYSA-N 0 3 281.400 1.170 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1ccccc1F ZINC000160580447 377087632 /nfs/dbraw/zinc/08/76/32/377087632.db2.gz MBOODGXWIHJQPT-UHFFFAOYSA-N 0 3 280.343 1.260 20 70 CDIDHN CCC[C@H](N)C(=O)N[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000161113523 278938373 /nfs/dbraw/zinc/93/83/73/278938373.db2.gz QLWOBNMQVIREEG-XQQFMLRXSA-N 0 3 268.401 1.968 20 70 CDIDHN CN(C)C[C@@H]1CN(Cc2cnc3ccccn23)CCO1 ZINC000160117905 292777879 /nfs/dbraw/zinc/77/78/79/292777879.db2.gz HWOKQVXBBIHSMF-CQSZACIVSA-N 0 3 274.368 1.097 20 70 CDIDHN CCc1ccc(CC(=O)NCCCN(C)CCOC)cc1 ZINC000160431055 523907535 /nfs/dbraw/zinc/90/75/35/523907535.db2.gz YHAXUTVVTNLOOA-UHFFFAOYSA-N 0 3 292.423 1.876 20 70 CDIDHN COC(=O)c1ccc(NC(=O)C(C)(C)N)cc1Cl ZINC000161061616 361823999 /nfs/dbraw/zinc/82/39/99/361823999.db2.gz MMBUTYOVARWUNB-UHFFFAOYSA-N 0 3 270.716 1.802 20 70 CDIDHN COC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160665936 346191191 /nfs/dbraw/zinc/19/11/91/346191191.db2.gz HKTXQJANJGODLL-HUUCEWRRSA-N 0 3 295.427 1.539 20 70 CDIDHN CCOCCN(CC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160684535 346194965 /nfs/dbraw/zinc/19/49/65/346194965.db2.gz CQAHWZVOKSOSFS-CQSZACIVSA-N 0 3 283.416 1.539 20 70 CDIDHN CS[C@H](C)CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159808188 363329219 /nfs/dbraw/zinc/32/92/19/363329219.db2.gz JLEPRCIHMJGSPG-MNOVXSKESA-N 0 3 259.419 1.379 20 70 CDIDHN CC(C)[C@@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000159453833 361702939 /nfs/dbraw/zinc/70/29/39/361702939.db2.gz JWHNXOOAHAQDDO-CYBMUJFWSA-N 0 3 252.333 1.858 20 70 CDIDHN CCc1nnc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)[nH]1 ZINC000159421265 361694262 /nfs/dbraw/zinc/69/42/62/361694262.db2.gz QXTZXLJWGJZXOQ-TZMCWYRMSA-N 0 3 289.427 1.816 20 70 CDIDHN C[C@@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159745896 364260871 /nfs/dbraw/zinc/26/08/71/364260871.db2.gz HCZHZWYXDHZXTF-SKDRFNHKSA-N 0 3 295.770 1.251 20 70 CDIDHN CNCC(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000160508640 364364364 /nfs/dbraw/zinc/36/43/64/364364364.db2.gz YGNPAJGCOMWHBT-ZWNOBZJWSA-N 0 3 266.316 1.334 20 70 CDIDHN CC[C@@H](NCCN1C(=O)CNC1=O)c1ccc(F)cc1 ZINC000160916799 364427480 /nfs/dbraw/zinc/42/74/80/364427480.db2.gz RXPDLVWQJDDTAK-GFCCVEGCSA-N 0 3 279.315 1.418 20 70 CDIDHN COC(CN(CCO)[C@H]1CCc2ccccc21)OC ZINC000161430280 364491936 /nfs/dbraw/zinc/49/19/36/364491936.db2.gz LGWJUFIYUDNVOS-AWEZNQCLSA-N 0 3 265.353 1.587 20 70 CDIDHN CC(C)[C@H](NCC(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000161474463 364499731 /nfs/dbraw/zinc/49/97/31/364499731.db2.gz GXIAVEOVDJMVBY-INIZCTEOSA-N 0 3 292.379 1.833 20 70 CDIDHN C[C@@H](N)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161450219 375371908 /nfs/dbraw/zinc/37/19/08/375371908.db2.gz LEJUYYHOICIBKF-ZYHUDNBSSA-N 0 3 278.327 1.594 20 70 CDIDHN CC[C@H](C(=O)N[C@H]1CCC[C@H]2OCC[C@@H]21)N(C)C ZINC000159777906 276546654 /nfs/dbraw/zinc/54/66/54/276546654.db2.gz BYSNUERJDLCHQK-YVECIDJPSA-N 0 3 254.374 1.400 20 70 CDIDHN CCC(CC)(CNCC(=O)N1CCCCC1)C(=O)OC ZINC000159685108 292765206 /nfs/dbraw/zinc/76/52/06/292765206.db2.gz UUABJVNRDTYXBX-UHFFFAOYSA-N 0 3 284.400 1.568 20 70 CDIDHN CCN1CCC(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000159709681 292766792 /nfs/dbraw/zinc/76/67/92/292766792.db2.gz PCZJBDSBFNDELH-RYUDHWBXSA-N 0 3 283.416 1.726 20 70 CDIDHN C[C@@H](CS(C)(=O)=O)N(C)CCCN1CCCCC1 ZINC000161074568 534184187 /nfs/dbraw/zinc/18/41/87/534184187.db2.gz FLRKMRQIHRGCIB-ZDUSSCGKSA-N 0 3 276.446 1.227 20 70 CDIDHN CC[C@@H](C)c1cc(C(=O)NC[C@@H]2CCN(C)C2)on1 ZINC000161313509 522419673 /nfs/dbraw/zinc/41/96/73/522419673.db2.gz AJTXDMGIEUVHRN-MNOVXSKESA-N 0 3 265.357 1.870 20 70 CDIDHN CSCC[C@@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000161405459 525542559 /nfs/dbraw/zinc/54/25/59/525542559.db2.gz ZSNCVUMQGOWSCN-GFCCVEGCSA-N 0 3 274.430 1.342 20 70 CDIDHN CCN(CCCN1CCCCC1)[C@H](C)CS(C)(=O)=O ZINC000161094259 528450655 /nfs/dbraw/zinc/45/06/55/528450655.db2.gz SAHSYWVPHNFIAD-CQSZACIVSA-N 0 3 290.473 1.617 20 70 CDIDHN CCOCCCCNC(=O)N1CCCN(CC)CC1 ZINC000159697591 361789830 /nfs/dbraw/zinc/78/98/30/361789830.db2.gz GJXFGXGRSCDVQN-UHFFFAOYSA-N 0 3 271.405 1.540 20 70 CDIDHN CCCN(CC(=O)NC)C(=O)c1ccc(CN(C)C)cc1 ZINC000160806746 362177720 /nfs/dbraw/zinc/17/77/20/362177720.db2.gz RZRDVIPLZFRSLJ-UHFFFAOYSA-N 0 3 291.395 1.346 20 70 CDIDHN CCc1nn(C)c(CC)c1CNC[C@H]1CCCN1C ZINC000160982245 346993997 /nfs/dbraw/zinc/99/39/97/346993997.db2.gz MRJQCENVGNENOQ-GFCCVEGCSA-N 0 3 264.417 1.729 20 70 CDIDHN CO[C@]1(CNCc2ccc3c(c2)OCCCO3)CCOC1 ZINC000160088841 362392560 /nfs/dbraw/zinc/39/25/60/362392560.db2.gz YZWNPDQKDPLRLK-INIZCTEOSA-N 0 3 293.363 1.743 20 70 CDIDHN CCN1CCC(N(C)CCCS(=O)(=O)C(C)C)CC1 ZINC000160658639 362464699 /nfs/dbraw/zinc/46/46/99/362464699.db2.gz PIMWTPXLYPBQQA-UHFFFAOYSA-N 0 3 290.473 1.616 20 70 CDIDHN COC(=O)c1cc(NC(=O)C[C@H]2CNCCO2)ccc1C ZINC000161490549 188530787 /nfs/dbraw/zinc/53/07/87/188530787.db2.gz TUTGNEZRSBBZHC-LBPRGKRZSA-N 0 3 292.335 1.099 20 70 CDIDHN CC1(CNCc2cncc(Br)c2)COC1 ZINC000160587774 358745669 /nfs/dbraw/zinc/74/56/69/358745669.db2.gz LUCCGZGLPGFBPF-UHFFFAOYSA-N 0 3 271.158 1.970 20 70 CDIDHN O=C(C[C@H]1CNCCO1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161220502 237197796 /nfs/dbraw/zinc/19/77/96/237197796.db2.gz KPEGCQXMYIGYDL-CABCVRRESA-N 0 3 296.411 1.315 20 70 CDIDHN CC(=O)N(Cc1ccc(NC(=O)[C@H](C)N)cc1)C(C)C ZINC000160954713 360105834 /nfs/dbraw/zinc/10/58/34/360105834.db2.gz MPPRMLYXTUDIBC-NSHDSACASA-N 0 3 277.368 1.729 20 70 CDIDHN O=C(CNCC1CC1)Nc1cnn(-c2ccccc2F)c1 ZINC000159483734 361711935 /nfs/dbraw/zinc/71/19/35/361711935.db2.gz HNCTUUBYMSVVLA-UHFFFAOYSA-N 0 3 288.326 1.950 20 70 CDIDHN CN1CC[C@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000160321660 363816055 /nfs/dbraw/zinc/81/60/55/363816055.db2.gz CHZQIAMHAKNGLZ-ZCFIWIBFSA-N 0 3 266.292 1.921 20 70 CDIDHN CCc1nn(C)c(CC)c1CNC(=O)NCCN(C)CC ZINC000160134565 364310748 /nfs/dbraw/zinc/31/07/48/364310748.db2.gz KYYCAHRHKPLBCX-UHFFFAOYSA-N 0 3 295.431 1.296 20 70 CDIDHN COC(CN1CCCN(c2ccccc2)CC1)OC ZINC000160648605 364389696 /nfs/dbraw/zinc/38/96/96/364389696.db2.gz PZKRLWHZLMDAHD-UHFFFAOYSA-N 0 3 264.369 1.818 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161037537 365254772 /nfs/dbraw/zinc/25/47/72/365254772.db2.gz JUVNFOCDDFBVST-LEWSCRJBSA-N 0 3 278.352 1.655 20 70 CDIDHN CCC[C@H](C(=O)NC1CCN(C(=O)C(C)C)CC1)N(C)C ZINC000161424071 377226714 /nfs/dbraw/zinc/22/67/14/377226714.db2.gz YMHSCFLYRVKCAN-CQSZACIVSA-N 0 3 297.443 1.480 20 70 CDIDHN CCC[C@@H](C(=O)NC1CCN(C(=O)C(C)C)CC1)N(C)C ZINC000161423929 377227023 /nfs/dbraw/zinc/22/70/23/377227023.db2.gz YMHSCFLYRVKCAN-AWEZNQCLSA-N 0 3 297.443 1.480 20 70 CDIDHN CN1CCN(CCCCNC(=O)NC2(C)CCC2)CC1 ZINC000161384367 377614250 /nfs/dbraw/zinc/61/42/50/377614250.db2.gz BTTPJMXGNCERCI-UHFFFAOYSA-N 0 3 282.432 1.256 20 70 CDIDHN COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[O-] ZINC000218168023 140165119 /nfs/dbraw/zinc/16/51/19/140165119.db2.gz KTGNARLDJWIMKA-NEPJUHHUSA-N 0 3 290.363 1.710 20 70 CDIDHN COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[O-] ZINC000218168023 140165120 /nfs/dbraw/zinc/16/51/20/140165120.db2.gz KTGNARLDJWIMKA-NEPJUHHUSA-N 0 3 290.363 1.710 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000159801394 529028908 /nfs/dbraw/zinc/02/89/08/529028908.db2.gz RPVRXEIYZLARCW-KBPBESRZSA-N 0 3 283.416 1.681 20 70 CDIDHN C[C@H](CNC(=O)CCc1ccccc1N)N1CCCC1 ZINC000161462020 342073039 /nfs/dbraw/zinc/07/30/39/342073039.db2.gz HOQVOJUFVFITJF-CYBMUJFWSA-N 0 3 275.396 1.802 20 70 CDIDHN C[C@H](CNC(=O)[C@@H]1CCCCN1)Oc1ccc(F)cc1 ZINC000161123808 361876887 /nfs/dbraw/zinc/87/68/87/361876887.db2.gz AZULUNDWQFJERM-RISCZKNCSA-N 0 3 280.343 1.851 20 70 CDIDHN CC(C)OC1CCC(NC(=O)C(C)S(C)(=O)=O)CC1 ZINC000159544885 539051186 /nfs/dbraw/zinc/05/11/86/539051186.db2.gz FPNBGDIDHGIRNL-VOMCLLRMSA-N 0 3 291.413 1.272 20 70 CDIDHN CSCC[C@H](N)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159613607 362351484 /nfs/dbraw/zinc/35/14/84/362351484.db2.gz HAUCAKHKJJCMQS-RYUDHWBXSA-N 0 3 258.431 1.961 20 70 CDIDHN COCCN(C)CCCNC(=O)NC[C@H](C)SC ZINC000159638272 363093713 /nfs/dbraw/zinc/09/37/13/363093713.db2.gz SZGPRXMPIQJQMA-NSHDSACASA-N 0 3 277.434 1.005 20 70 CDIDHN Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCCCN1 ZINC000159841688 188444253 /nfs/dbraw/zinc/44/42/53/188444253.db2.gz PJMUSCRYYCAURI-KBPBESRZSA-N 0 3 262.353 1.287 20 70 CDIDHN O=C(NCCc1cc(F)ccc1F)[C@@H]1CCCCN1 ZINC000159667404 237155647 /nfs/dbraw/zinc/15/56/47/237155647.db2.gz ZLRGWRPIJQMWHF-ZDUSSCGKSA-N 0 3 268.307 1.766 20 70 CDIDHN NCC(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160124232 237170717 /nfs/dbraw/zinc/17/07/17/237170717.db2.gz XPHCJZMZEIVFGQ-AWEZNQCLSA-N 0 3 262.353 1.546 20 70 CDIDHN C[C@H](CNC(=O)CCC(C)(C)C)CN1CCN(C)CC1 ZINC000160104882 363671091 /nfs/dbraw/zinc/67/10/91/363671091.db2.gz RVWLWEWNCLAJHA-CQSZACIVSA-N 0 3 283.460 1.812 20 70 CDIDHN CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)N)cc1)C(C)C ZINC000160955028 360102537 /nfs/dbraw/zinc/10/25/37/360102537.db2.gz MPPRMLYXTUDIBC-LLVKDONJSA-N 0 3 277.368 1.729 20 70 CDIDHN CN(C)[C@H](CNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161099555 360887791 /nfs/dbraw/zinc/88/77/91/360887791.db2.gz AFRNDDJDLKFGCP-HOTGVXAUSA-N 0 3 290.407 1.845 20 70 CDIDHN CCc1cccc2c(CCNC(=O)[C@@H](C)N)c[nH]c21 ZINC000159371543 364193707 /nfs/dbraw/zinc/19/37/07/364193707.db2.gz SETIMPJUVIQYDT-SNVBAGLBSA-N 0 3 259.353 1.736 20 70 CDIDHN CCC(CC)(CNCC(=O)NC(C)C)C(=O)OC ZINC000159682665 364250285 /nfs/dbraw/zinc/25/02/85/364250285.db2.gz BNHQTQUWGLQDAQ-UHFFFAOYSA-N 0 3 258.362 1.080 20 70 CDIDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc3nc[nH]c31)C2 ZINC000159768518 364262738 /nfs/dbraw/zinc/26/27/38/364262738.db2.gz ZUUUWRBHFDBULH-NWDGAFQWSA-N 0 3 284.363 1.872 20 70 CDIDHN C[C@H]1C[C@H](N(C)S(C)(=O)=O)CCN1Cc1ccccc1 ZINC000159993298 364291296 /nfs/dbraw/zinc/29/12/96/364291296.db2.gz BSZDJFIDTSVULS-DZGCQCFKSA-N 0 3 296.436 1.931 20 70 CDIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(N)=O ZINC000160067618 364301691 /nfs/dbraw/zinc/30/16/91/364301691.db2.gz GEGRQVKOYRKDHU-CYBMUJFWSA-N 0 3 290.411 1.494 20 70 CDIDHN O=C(Cc1ccccc1F)NC[C@@H](O)CN1CCCCC1 ZINC000160527553 364366782 /nfs/dbraw/zinc/36/67/82/364366782.db2.gz WPUVOHVMWDGBDD-CQSZACIVSA-N 0 3 294.370 1.331 20 70 CDIDHN CC(C)n1nccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000161248974 364469601 /nfs/dbraw/zinc/46/96/01/364469601.db2.gz KPYFOFQWNNDRHE-UHFFFAOYSA-N 0 3 276.384 1.821 20 70 CDIDHN CCOC(=O)[C@H]1CCCCN1Cc1cn[nH]c1C ZINC000161283483 364474967 /nfs/dbraw/zinc/47/49/67/364474967.db2.gz UNFOWECPSPGUKS-GFCCVEGCSA-N 0 3 251.330 1.636 20 70 CDIDHN CCn1cc([C@@H](C)N[C@H](CCO)CSC)cn1 ZINC000160294599 364629483 /nfs/dbraw/zinc/62/94/83/364629483.db2.gz SFKKFWFFCVODSJ-ZYHUDNBSSA-N 0 3 257.403 1.668 20 70 CDIDHN CCCN(CCO)Cc1cccc(OCCOC)c1 ZINC000161201601 364766422 /nfs/dbraw/zinc/76/64/22/364766422.db2.gz UDLJBUMJCKYIHK-UHFFFAOYSA-N 0 3 267.369 1.916 20 70 CDIDHN CCN(C)C(=O)CNC[C@H](O)COc1c(C)cccc1C ZINC000218115818 373742093 /nfs/dbraw/zinc/74/20/93/373742093.db2.gz FMAXRTLXHPOXPW-AWEZNQCLSA-N 0 3 294.395 1.111 20 70 CDIDHN Cc1nc([C@H](NC(=O)[C@@H](C)N)c2ccccc2F)no1 ZINC000160138082 377048785 /nfs/dbraw/zinc/04/87/85/377048785.db2.gz YYNUXVGQTQDLDK-RDDDGLTNSA-N 0 3 278.287 1.070 20 70 CDIDHN CC[C@@H](O)CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161263987 377530960 /nfs/dbraw/zinc/53/09/60/377530960.db2.gz ZVGNILIVQRDXDI-NXEZZACHSA-N 0 3 255.280 1.393 20 70 CDIDHN C[C@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161095657 279393565 /nfs/dbraw/zinc/39/35/65/279393565.db2.gz JFNJVOBFRSCYKY-RVBZMBCESA-N 0 3 250.317 1.913 20 70 CDIDHN Cn1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000160233326 292781335 /nfs/dbraw/zinc/78/13/35/292781335.db2.gz XGXVGIHXBFJIHG-GFCCVEGCSA-N 0 3 266.308 1.471 20 70 CDIDHN C[C@@H](CNC(=O)CNc1ccccc1)N1CCCC1 ZINC000161052000 292799224 /nfs/dbraw/zinc/79/92/24/292799224.db2.gz GVYUDMCKHZOSPT-ZDUSSCGKSA-N 0 3 261.369 1.699 20 70 CDIDHN CCCn1nccc1CNCCCOC[C@H]1CCCO1 ZINC000159986583 482775540 /nfs/dbraw/zinc/77/55/40/482775540.db2.gz NFWMURQVGXVJPH-OAHLLOKOSA-N 0 3 281.400 1.968 20 70 CDIDHN c1cncc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161429734 526545399 /nfs/dbraw/zinc/54/53/99/526545399.db2.gz DWWPTAMMILBZOS-AWEZNQCLSA-N 0 3 283.379 1.999 20 70 CDIDHN CCN1CCC(NC(=O)NC[C@@H](C)SC)CC1 ZINC000159578097 362934225 /nfs/dbraw/zinc/93/42/25/362934225.db2.gz POIXKQAPUHDVOO-SNVBAGLBSA-N 0 3 259.419 1.521 20 70 CDIDHN COc1cc(OC)nc(NC[C@H]2CCN(C3CC3)C2)n1 ZINC000159772274 363295294 /nfs/dbraw/zinc/29/52/94/363295294.db2.gz JYWBNHRLCXZHQF-SNVBAGLBSA-N 0 3 278.356 1.390 20 70 CDIDHN C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000159454813 358574770 /nfs/dbraw/zinc/57/47/70/358574770.db2.gz KAZAXEGAWLKFKF-LBPRGKRZSA-N 0 3 295.358 1.672 20 70 CDIDHN C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000159454813 358574773 /nfs/dbraw/zinc/57/47/73/358574773.db2.gz KAZAXEGAWLKFKF-LBPRGKRZSA-N 0 3 295.358 1.672 20 70 CDIDHN O=C(CCc1ccoc1)NC[C@@H](O)CN1CCCCC1 ZINC000160381036 237171901 /nfs/dbraw/zinc/17/19/01/237171901.db2.gz CQYSRSXNVGDFAL-CQSZACIVSA-N 0 3 280.368 1.175 20 70 CDIDHN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@H](C)N ZINC000160831000 361256099 /nfs/dbraw/zinc/25/60/99/361256099.db2.gz TUVZNLOISCRUEA-FZMZJTMJSA-N 0 3 282.359 1.691 20 70 CDIDHN CCCO[C@@H]1CCCN(C(=O)[C@H](N)CCSC)CC1 ZINC000159472456 361709968 /nfs/dbraw/zinc/70/99/68/361709968.db2.gz MUCPHKAMFJXXJD-CHWSQXEVSA-N 0 3 288.457 1.875 20 70 CDIDHN Cc1ccccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160335852 364336614 /nfs/dbraw/zinc/33/66/14/364336614.db2.gz FZTAVBLOKHUKAG-CQSZACIVSA-N 0 3 276.380 1.572 20 70 CDIDHN CC[C@H](NC(=O)C(C)S(C)(=O)=O)c1c(C)noc1C ZINC000160750723 377112751 /nfs/dbraw/zinc/11/27/51/377112751.db2.gz CHXYYBPTDBTEED-UWVGGRQHSA-N 0 3 288.369 1.292 20 70 CDIDHN O=C([C@@H]1CCCO1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000160970511 292797257 /nfs/dbraw/zinc/79/72/57/292797257.db2.gz DLORRIRAFPFDTJ-CABCVRRESA-N 0 3 278.396 1.666 20 70 CDIDHN CC(C)CCC(=O)NCC1CCN(CCO)CC1 ZINC000160601722 519635645 /nfs/dbraw/zinc/63/56/45/519635645.db2.gz PNCMYWLWMCQZIY-UHFFFAOYSA-N 0 3 256.390 1.243 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160351516 519645492 /nfs/dbraw/zinc/64/54/92/519645492.db2.gz WEXQRJGMJHSIDP-HUUCEWRRSA-N 0 3 297.443 1.926 20 70 CDIDHN CC(C)[C@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159648281 361761340 /nfs/dbraw/zinc/76/13/40/361761340.db2.gz XKDXDQCWXBTQIS-HOCLYGCPSA-N 0 3 276.380 1.744 20 70 CDIDHN COCCNCCNc1ccncc1Br ZINC000159926512 362380093 /nfs/dbraw/zinc/38/00/93/362380093.db2.gz SRRMLQCPEQJGMJ-UHFFFAOYSA-N 0 3 274.162 1.492 20 70 CDIDHN CCN(C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000160711895 346219799 /nfs/dbraw/zinc/21/97/99/346219799.db2.gz QBRQJRHKWXMZRP-ZDUSSCGKSA-N 0 3 253.390 1.911 20 70 CDIDHN C[C@]1(C(=O)[N-]c2nncn2Cc2ccccc2)CC[NH2+]C1 ZINC000159631876 363089270 /nfs/dbraw/zinc/08/92/70/363089270.db2.gz BTGCFYPGXFXJDQ-HNNXBMFYSA-N 0 3 285.351 1.265 20 70 CDIDHN CN1CCC[C@@H]1CNC(=O)NCc1ncccc1F ZINC000159717431 363215149 /nfs/dbraw/zinc/21/51/49/363215149.db2.gz CGTZYFPRUYCDBM-SNVBAGLBSA-N 0 3 266.320 1.114 20 70 CDIDHN COc1cccc2c1CC[C@H]2NC(=O)C(C)S(C)(=O)=O ZINC000159954732 363500204 /nfs/dbraw/zinc/50/02/04/363500204.db2.gz MZQBIJHUNMWOAQ-JOYOIKCWSA-N 0 3 297.376 1.232 20 70 CDIDHN Cc1cccc(O[C@@H](C)CNC(=O)[C@]2(F)CCNC2)c1 ZINC000161169381 358789718 /nfs/dbraw/zinc/78/97/18/358789718.db2.gz ZYELEWUBVJPSET-WFASDCNBSA-N 0 3 280.343 1.580 20 70 CDIDHN CC[C@@H](C(=O)NC[C@@H](O)c1cccc(F)c1)N(C)C ZINC000160332150 364335559 /nfs/dbraw/zinc/33/55/59/364335559.db2.gz OLPZTMULTHUEHH-QWHCGFSZSA-N 0 3 268.332 1.316 20 70 CDIDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000160330839 364336810 /nfs/dbraw/zinc/33/68/10/364336810.db2.gz APHUGUILPPXOKC-OAHLLOKOSA-N 0 3 299.378 1.481 20 70 CDIDHN CN1CCC(NC(=O)c2ccnc(Cl)c2F)CC1 ZINC000161076451 364445431 /nfs/dbraw/zinc/44/54/31/364445431.db2.gz VNRRKEJASWGVCF-UHFFFAOYSA-N 0 3 271.723 1.698 20 70 CDIDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(=O)n1C ZINC000161174714 364459729 /nfs/dbraw/zinc/45/97/29/364459729.db2.gz IPEJADNWUTYNAM-LBPRGKRZSA-N 0 3 279.384 1.091 20 70 CDIDHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1c(C)noc1C ZINC000160750827 377112936 /nfs/dbraw/zinc/11/29/36/377112936.db2.gz CHXYYBPTDBTEED-VHSXEESVSA-N 0 3 288.369 1.292 20 70 CDIDHN CCN1CCC(NC(=O)C2(CCOC)CCC2)CC1 ZINC000159586631 292762555 /nfs/dbraw/zinc/76/25/55/292762555.db2.gz LQBBXPAYMBFUCK-UHFFFAOYSA-N 0 3 268.401 1.794 20 70 CDIDHN CN(CCNCc1cncn1C)C(=O)OC(C)(C)C ZINC000218182869 536386917 /nfs/dbraw/zinc/38/69/17/536386917.db2.gz JENVMBTZQHATFN-UHFFFAOYSA-N 0 3 268.361 1.377 20 70 CDIDHN c1cncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161429841 526545679 /nfs/dbraw/zinc/54/56/79/526545679.db2.gz DWWPTAMMILBZOS-CQSZACIVSA-N 0 3 283.379 1.999 20 70 CDIDHN CCCC(O)(CCC)CC(=O)NC[C@H]1CCCN1C ZINC000160563692 528008191 /nfs/dbraw/zinc/00/81/91/528008191.db2.gz AHBQFDAMAYNHQD-CYBMUJFWSA-N 0 3 270.417 1.918 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ccn(C)c2)CC1 ZINC000159943281 361957888 /nfs/dbraw/zinc/95/78/88/361957888.db2.gz KKVOANMFOCDODB-UHFFFAOYSA-N 0 3 264.373 1.262 20 70 CDIDHN COC[C@H](C)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000160175398 539115599 /nfs/dbraw/zinc/11/55/99/539115599.db2.gz QWMLDMHKMBELSD-WCQYABFASA-N 0 3 254.374 1.545 20 70 CDIDHN CS(=O)(=O)CCCCN(C[C@@H]1CCOC1)C1CC1 ZINC000161450115 539117795 /nfs/dbraw/zinc/11/77/95/539117795.db2.gz FOCZPTQFXYYZAR-LBPRGKRZSA-N 0 3 275.414 1.312 20 70 CDIDHN CCN(C)CCNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000160134008 362035567 /nfs/dbraw/zinc/03/55/67/362035567.db2.gz XXYUZWXWOOBQQR-JSGCOSHPSA-N 0 3 291.395 1.802 20 70 CDIDHN NC[C@@H]1c2ccccc2CCN1C(=O)NC1CCC1 ZINC000160287907 362408264 /nfs/dbraw/zinc/40/82/64/362408264.db2.gz VMUPPCMTNMVGQK-CQSZACIVSA-N 0 3 259.353 1.807 20 70 CDIDHN COc1cc(NC(=O)C[C@@H]2CSCCN2)ccc1F ZINC000160319475 362412143 /nfs/dbraw/zinc/41/21/43/362412143.db2.gz LYJNQNLJDBBZJP-SNVBAGLBSA-N 0 3 284.356 1.868 20 70 CDIDHN CCOC(=O)N(C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000161155195 362702481 /nfs/dbraw/zinc/70/24/81/362702481.db2.gz ZNPUQABTVGZEID-ZDUSSCGKSA-N 0 3 299.415 1.406 20 70 CDIDHN COCCN(C)CCCNC(=O)N[C@H](C)CC(C)C ZINC000159635662 363091772 /nfs/dbraw/zinc/09/17/72/363091772.db2.gz HMHIXFXQCMERMV-CYBMUJFWSA-N 0 3 273.421 1.689 20 70 CDIDHN CCC(CC)(CNCC(=O)N[C@H](C)C(C)C)C(=O)OC ZINC000159657831 363147478 /nfs/dbraw/zinc/14/74/78/363147478.db2.gz KEVHWECQRBRSKY-GFCCVEGCSA-N 0 3 286.416 1.716 20 70 CDIDHN CCC(CC)(CNCC(=O)N1CCC[C@H](C)C1)C(=O)OC ZINC000159674660 363176604 /nfs/dbraw/zinc/17/66/04/363176604.db2.gz WLFDCUCNENBXDN-ZDUSSCGKSA-N 0 3 298.427 1.814 20 70 CDIDHN CS[C@H](C)CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000160007722 363571185 /nfs/dbraw/zinc/57/11/85/363571185.db2.gz GUVCNHIOTVSMGF-AXFHLTTASA-N 0 3 271.430 1.662 20 70 CDIDHN CNCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000159428729 361696055 /nfs/dbraw/zinc/69/60/55/361696055.db2.gz BSCHTIRCPKVKJI-GWCFXTLKSA-N 0 3 250.317 1.955 20 70 CDIDHN CN(C)C(=O)c1cccc(CN2CCCC[C@@H]2CO)c1 ZINC000159777881 364264067 /nfs/dbraw/zinc/26/40/67/364264067.db2.gz UYYZIOLLTPEKIQ-OAHLLOKOSA-N 0 3 276.380 1.735 20 70 CDIDHN CN(Cc1cc2ccccc2o1)C(=O)C[C@@H]1CNCCO1 ZINC000161415868 364489032 /nfs/dbraw/zinc/48/90/32/364489032.db2.gz KMEMCTIWVJTNPI-CYBMUJFWSA-N 0 3 288.347 1.770 20 70 CDIDHN CC(C)(N)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449691 375371026 /nfs/dbraw/zinc/37/10/26/375371026.db2.gz MQAIKVFIKWJQHF-GFCCVEGCSA-N 0 3 292.354 1.984 20 70 CDIDHN O=S1(=O)CC[C@@H](NC2CCN(c3ccccc3)CC2)C1 ZINC000161322347 285066016 /nfs/dbraw/zinc/06/60/16/285066016.db2.gz KXWVPDKPYYKHMF-CQSZACIVSA-N 0 3 294.420 1.432 20 70 CDIDHN O[C@@H](COCc1ccccc1)CN1CCC[C@@H](O)C1 ZINC000217578660 392962617 /nfs/dbraw/zinc/96/26/17/392962617.db2.gz LIMHTERJJLZADQ-HUUCEWRRSA-N 0 3 265.353 1.021 20 70 CDIDHN COC(CN1CCCN(c2ccc(F)cc2)CC1)OC ZINC000160647428 274012541 /nfs/dbraw/zinc/01/25/41/274012541.db2.gz BFUURLCMEUZLHA-UHFFFAOYSA-N 0 3 282.359 1.957 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161244920 277596582 /nfs/dbraw/zinc/59/65/82/277596582.db2.gz HWCLCLXFSSFXBM-FOGDFJRCSA-N 0 3 250.317 1.877 20 70 CDIDHN CC[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)N(C)C ZINC000160356427 292784659 /nfs/dbraw/zinc/78/46/59/292784659.db2.gz XSAQWVNGLZURDG-CQSZACIVSA-N 0 3 299.459 1.143 20 70 CDIDHN CN1CCN(C)[C@H](CNCc2coc3ccccc23)C1 ZINC000161103566 523890946 /nfs/dbraw/zinc/89/09/46/523890946.db2.gz BOQHVYUCSKMTHY-CQSZACIVSA-N 0 3 273.380 1.768 20 70 CDIDHN O=C(C[C@H]1CNCCO1)N1CCSC2(CCCCC2)C1 ZINC000161451669 527176087 /nfs/dbraw/zinc/17/60/87/527176087.db2.gz UUOABWHGUWLILH-ZDUSSCGKSA-N 0 3 298.452 1.643 20 70 CDIDHN Cc1noc(COc2ccc(NC(=O)C(C)(C)N)cc2)n1 ZINC000159663281 361767168 /nfs/dbraw/zinc/76/71/68/361767168.db2.gz KYSPGVQRYLAIRI-UHFFFAOYSA-N 0 3 290.323 1.633 20 70 CDIDHN CC[C@@H](C)NC(=O)CCNC(=O)N1CCCN(CC)CC1 ZINC000159709632 361805619 /nfs/dbraw/zinc/80/56/19/361805619.db2.gz RHJUILKOLVMYQX-CYBMUJFWSA-N 0 3 298.431 1.028 20 70 CDIDHN CN(Cc1ccccc1)CC(C)(C)NCc1cnnn1C ZINC000159380736 362316769 /nfs/dbraw/zinc/31/67/69/362316769.db2.gz ZITKRBOMSXAYTJ-UHFFFAOYSA-N 0 3 287.411 1.815 20 70 CDIDHN COc1cc(CN[C@@H](C)CN(C)C)cc2c1OCO2 ZINC000159911542 362379830 /nfs/dbraw/zinc/37/98/30/362379830.db2.gz IVKYVGNEFPFSDI-JTQLQIEISA-N 0 3 266.341 1.464 20 70 CDIDHN O=c1n(-c2ccccc2)cnn1CCCN1CCCCC1 ZINC000217651284 344851684 /nfs/dbraw/zinc/85/16/84/344851684.db2.gz UKAREEUMSIDVFV-UHFFFAOYSA-N 0 3 286.379 1.910 20 70 CDIDHN CC[C@H]1COCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160743142 346480002 /nfs/dbraw/zinc/48/00/02/346480002.db2.gz NOWVRQUNKUCGOA-KBPBESRZSA-N 0 3 281.400 1.291 20 70 CDIDHN CCCCN(C)CCNC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000159793460 363320486 /nfs/dbraw/zinc/32/04/86/363320486.db2.gz BXYQKYNOHXGWJL-CHWSQXEVSA-N 0 3 285.432 1.974 20 70 CDIDHN C[C@H]1C[C@H](NC(=O)NCc2ncccc2F)CN1C1CC1 ZINC000160004904 363569839 /nfs/dbraw/zinc/56/98/39/363569839.db2.gz WNHUYXNZAAWYIZ-QWRGUYRKSA-N 0 3 292.358 1.645 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC000160467308 358669152 /nfs/dbraw/zinc/66/91/52/358669152.db2.gz FENLYIITQHRWGC-NWDGAFQWSA-N 0 3 270.373 1.319 20 70 CDIDHN O=C(Nc1cnn(CC(F)F)c1)[C@H]1CCCCN1 ZINC000160989492 360683830 /nfs/dbraw/zinc/68/38/30/360683830.db2.gz KBCQNJXXRWIPHB-SECBINFHSA-N 0 3 258.272 1.229 20 70 CDIDHN CNC(=O)[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160343104 363819076 /nfs/dbraw/zinc/81/90/76/363819076.db2.gz OZVHELWGKFMAFC-LBPRGKRZSA-N 0 3 272.352 1.292 20 70 CDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000160548866 363985379 /nfs/dbraw/zinc/98/53/79/363985379.db2.gz XFIJPGSELSEPQZ-OLZOCXBDSA-N 0 3 297.443 1.467 20 70 CDIDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc2nc[nH]c21 ZINC000159667518 364249463 /nfs/dbraw/zinc/24/94/63/364249463.db2.gz NXADZFQZMHMRRK-FZMZJTMJSA-N 0 3 286.379 1.975 20 70 CDIDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(OC)nn1 ZINC000159767466 364262112 /nfs/dbraw/zinc/26/21/12/364262112.db2.gz WQPIILKNYWCKMP-NSHDSACASA-N 0 3 278.356 1.089 20 70 CDIDHN Cc1n[nH]c(C)c1CN1CCC(CC(N)=O)CC1 ZINC000159840285 364271751 /nfs/dbraw/zinc/27/17/51/364271751.db2.gz FDTXEPLIRUFFHX-UHFFFAOYSA-N 0 3 250.346 1.114 20 70 CDIDHN NC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000161036050 364440229 /nfs/dbraw/zinc/44/02/29/364440229.db2.gz KAIFDAYUAFISRU-ZDUSSCGKSA-N 0 3 285.351 1.821 20 70 CDIDHN COc1ccc([C@H](C)CCNC(=O)C2(N)CC2)cc1 ZINC000160550439 377086673 /nfs/dbraw/zinc/08/66/73/377086673.db2.gz TUWGQQNICAIECO-LLVKDONJSA-N 0 3 262.353 1.796 20 70 CDIDHN C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000218002123 140165746 /nfs/dbraw/zinc/16/57/46/140165746.db2.gz SPSAFRHANRVYNX-AGIUHOORSA-N 0 3 253.390 1.911 20 70 CDIDHN CNC(=O)[C@@H](C)CN(C)Cc1c(C)nc2ccccn21 ZINC000160945221 277239617 /nfs/dbraw/zinc/23/96/17/277239617.db2.gz YPLHQHLMVMXNAG-NSHDSACASA-N 0 3 274.368 1.457 20 70 CDIDHN CCC[C@H](N)C(=O)N[C@H]1C[C@H](OCC)C12CCCC2 ZINC000161113735 278938142 /nfs/dbraw/zinc/93/81/42/278938142.db2.gz QLWOBNMQVIREEG-AVGNSLFASA-N 0 3 268.401 1.968 20 70 CDIDHN CC(C)C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000159548560 279177607 /nfs/dbraw/zinc/17/76/07/279177607.db2.gz ADBGMAVUTBJOKZ-YFKTTZPYSA-N 0 3 254.374 1.290 20 70 CDIDHN CC[C@@H](C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)N(C)C ZINC000159777526 280081366 /nfs/dbraw/zinc/08/13/66/280081366.db2.gz BYSNUERJDLCHQK-FVCCEPFGSA-N 0 3 254.374 1.400 20 70 CDIDHN Cc1nc2ccccn2c1CN[C@@H](C(N)=O)C(C)(C)C ZINC000160162552 292779272 /nfs/dbraw/zinc/77/92/72/292779272.db2.gz YLYZTCWYJMFZRJ-ZDUSSCGKSA-N 0 3 274.368 1.632 20 70 CDIDHN COCCCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000160377132 292785634 /nfs/dbraw/zinc/78/56/34/292785634.db2.gz TVSPYORSYOPVBP-UHFFFAOYSA-N 0 3 285.432 1.929 20 70 CDIDHN CNC(=O)c1cccc(CCNC(=O)[C@@H](N)CC(C)C)c1 ZINC000160371082 482797046 /nfs/dbraw/zinc/79/70/46/482797046.db2.gz MYVWOAUCRUEJJH-AWEZNQCLSA-N 0 3 291.395 1.078 20 70 CDIDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CN ZINC000161057136 361751396 /nfs/dbraw/zinc/75/13/96/361751396.db2.gz ABRDJFTVLSKKNW-PRHODGIISA-N 0 3 256.733 1.491 20 70 CDIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)NC1CC1 ZINC000159639378 361758611 /nfs/dbraw/zinc/75/86/11/361758611.db2.gz RAZJBHONTDODJI-JQWIXIFHSA-N 0 3 265.357 1.239 20 70 CDIDHN COCCNCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000159806978 361866881 /nfs/dbraw/zinc/86/68/81/361866881.db2.gz YBUBMJPMGPISKJ-TZMCWYRMSA-N 0 3 294.370 1.766 20 70 CDIDHN COc1cccc(O[C@H](C)CNC(=O)[C@@H]2CCCCN2)c1 ZINC000161129695 361876907 /nfs/dbraw/zinc/87/69/07/361876907.db2.gz BIFSGUMXFNYNLB-DOMZBBRYSA-N 0 3 292.379 1.721 20 70 CDIDHN CN(C)[C@H]1CCCN(C(=O)NCCc2cscn2)C1 ZINC000159581175 362992023 /nfs/dbraw/zinc/99/20/23/362992023.db2.gz MXMPJCUWBNNDAN-LBPRGKRZSA-N 0 3 282.413 1.421 20 70 CDIDHN C[C@@H](CNC(=O)N(C)CC1CCOCC1)N(C)C1CC1 ZINC000159799178 363315513 /nfs/dbraw/zinc/31/55/13/363315513.db2.gz WIUKXAPTWVNBKL-LBPRGKRZSA-N 0 3 283.416 1.537 20 70 CDIDHN CCC[C@@H](N)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160963710 360215552 /nfs/dbraw/zinc/21/55/52/360215552.db2.gz DDCMSENIYQJGKG-CABCVRRESA-N 0 3 294.395 1.751 20 70 CDIDHN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCNCC1 ZINC000160860957 361434203 /nfs/dbraw/zinc/43/42/03/361434203.db2.gz HMUTXLJERBDOIS-NWDGAFQWSA-N 0 3 280.318 1.890 20 70 CDIDHN CCN(CC)CC(=O)NCCc1cccc(O)c1 ZINC000160254871 363798186 /nfs/dbraw/zinc/79/81/86/363798186.db2.gz XFKKTTYKSDUXAV-UHFFFAOYSA-N 0 3 250.342 1.393 20 70 CDIDHN O=C(NCc1nc(C(F)(F)F)cs1)[C@H]1CCCCN1 ZINC000161002233 361616068 /nfs/dbraw/zinc/61/60/68/361616068.db2.gz WKMJIQXFKJRWJI-SSDOTTSWSA-N 0 3 293.314 1.920 20 70 CDIDHN CC[C@H](C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000159445067 361700329 /nfs/dbraw/zinc/70/03/29/361700329.db2.gz KJGNDXBCZREBKH-XQQFMLRXSA-N 0 3 254.374 1.497 20 70 CDIDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ncc(C(C)=O)s1 ZINC000159509325 361725381 /nfs/dbraw/zinc/72/53/81/361725381.db2.gz OGPUOWARFWNTIK-HZGVNTEJSA-N 0 3 255.343 1.658 20 70 CDIDHN CCCC[C@H](COC)NCC(=O)NCC(F)(F)F ZINC000160584928 364065394 /nfs/dbraw/zinc/06/53/94/364065394.db2.gz CTEUNYLXRIHXEL-SECBINFHSA-N 0 3 270.295 1.460 20 70 CDIDHN CC[C@H](C(=O)NC[C@@H](O)c1cccc(F)c1)N(C)C ZINC000160332277 364336382 /nfs/dbraw/zinc/33/63/82/364336382.db2.gz OLPZTMULTHUEHH-CHWSQXEVSA-N 0 3 268.332 1.316 20 70 CDIDHN C[C@H](N)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000160114378 364307518 /nfs/dbraw/zinc/30/75/18/364307518.db2.gz LVSACRMKLOVRKB-JTQLQIEISA-N 0 3 250.317 1.706 20 70 CDIDHN Cc1c(C(=O)NC[C@H]2CCN(C)C2)cnn1CC(C)C ZINC000161262793 364470735 /nfs/dbraw/zinc/47/07/35/364470735.db2.gz GXIMAGRLCVRQKU-CYBMUJFWSA-N 0 3 278.400 1.529 20 70 CDIDHN C[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000159755030 390941327 /nfs/dbraw/zinc/94/13/27/390941327.db2.gz PKKNEXAQGGHHNV-CYBMUJFWSA-N 0 3 293.411 1.973 20 70 CDIDHN CCC(CC)(CC)NC(=O)CNC[C@@H]1CCCO1 ZINC000160989361 270241821 /nfs/dbraw/zinc/24/18/21/270241821.db2.gz XMFFBVZITSPDHP-LBPRGKRZSA-N 0 3 256.390 1.840 20 70 CDIDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160320132 292783729 /nfs/dbraw/zinc/78/37/29/292783729.db2.gz IAQPBYZMSCARSW-DZGCQCFKSA-N 0 3 283.416 1.417 20 70 CDIDHN CCN1CCCN(C(=O)NCCCCOC)CC1 ZINC000159637877 361755483 /nfs/dbraw/zinc/75/54/83/361755483.db2.gz JGVPFAJWHMCFAY-UHFFFAOYSA-N 0 3 257.378 1.150 20 70 CDIDHN CC(C)[C@H](C(=O)NCCCN1CCCCCC1=O)N(C)C ZINC000159624886 361757089 /nfs/dbraw/zinc/75/70/89/361757089.db2.gz ZVQQABJSULRVJE-OAHLLOKOSA-N 0 3 297.443 1.482 20 70 CDIDHN COCC(C)(C)C(=O)N1CCN(c2ccncc2)CC1 ZINC000160288813 539115706 /nfs/dbraw/zinc/11/57/06/539115706.db2.gz WSKMLBAUDYRTNE-UHFFFAOYSA-N 0 3 277.368 1.403 20 70 CDIDHN CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)N(C)C ZINC000160818726 539116938 /nfs/dbraw/zinc/11/69/38/539116938.db2.gz OFTAFWXGMSSMEK-ZIAGYGMSSA-N 0 3 295.427 1.234 20 70 CDIDHN CN1CCN(C)[C@@H](CN[C@@H]2CCCc3cccnc32)C1 ZINC000217743651 538504726 /nfs/dbraw/zinc/50/47/26/538504726.db2.gz ZSBMZNVBMPJVMZ-LSDHHAIUSA-N 0 3 274.412 1.294 20 70 CDIDHN C[C@@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971244 360216344 /nfs/dbraw/zinc/21/63/44/360216344.db2.gz JGXWHRFIYUTEJO-MFKMUULPSA-N 0 3 264.369 1.481 20 70 CDIDHN COCCN(CCOc1ccc(F)cc1)C(=O)[C@H](C)N ZINC000159400581 361683430 /nfs/dbraw/zinc/68/34/30/361683430.db2.gz CIKOJUKUBPZJAE-NSHDSACASA-N 0 3 284.331 1.027 20 70 CDIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(N)=O ZINC000160511717 363965328 /nfs/dbraw/zinc/96/53/28/363965328.db2.gz ZSLYMEGJARUCCV-MWLCHTKSSA-N 0 3 255.339 1.426 20 70 CDIDHN C[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160050841 364299534 /nfs/dbraw/zinc/29/95/34/364299534.db2.gz KXHCGYMIARGMPQ-VIFPVBQESA-N 0 3 297.196 1.944 20 70 CDIDHN COc1ccc(OCCN(C)CCn2ccnc2)cc1 ZINC000161124521 364451568 /nfs/dbraw/zinc/45/15/68/364451568.db2.gz RAEFNPQPEBVATF-UHFFFAOYSA-N 0 3 275.352 1.903 20 70 CDIDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)oc1C ZINC000160310675 373912339 /nfs/dbraw/zinc/91/23/39/373912339.db2.gz DVPQVIGZLJXQLY-CYBMUJFWSA-N 0 3 280.368 1.473 20 70 CDIDHN Cc1ccsc1C(=O)NCC1CCN(CCO)CC1 ZINC000160560369 377086858 /nfs/dbraw/zinc/08/68/58/377086858.db2.gz XACRNQBGCALLKF-UHFFFAOYSA-N 0 3 282.409 1.491 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1cccc(F)c1F ZINC000160728772 377095083 /nfs/dbraw/zinc/09/50/83/377095083.db2.gz UKJQUJYHTNDSSN-UHFFFAOYSA-N 0 3 298.333 1.399 20 70 CDIDHN CC[C@H](C(=O)NC[C@H](O)c1ccccc1)N(C)C ZINC000160041302 390977492 /nfs/dbraw/zinc/97/74/92/390977492.db2.gz RMBUYINMDCHDOG-OLZOCXBDSA-N 0 3 250.342 1.176 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000217488079 140163589 /nfs/dbraw/zinc/16/35/89/140163589.db2.gz BCNJWDHIDRVFTI-CZXHOFHRSA-N 0 3 283.416 1.027 20 70 CDIDHN CCN1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159577798 292762414 /nfs/dbraw/zinc/76/24/14/292762414.db2.gz WYFZMLNYVIMZOT-UHFFFAOYSA-N 0 3 265.401 1.960 20 70 CDIDHN CC[C@H](C(=O)N[C@H](C)C(=O)OC(C)(C)C)N(C)C ZINC000161067685 523794380 /nfs/dbraw/zinc/79/43/80/523794380.db2.gz WZKRNCGOZGMOMI-NXEZZACHSA-N 0 3 258.362 1.173 20 70 CDIDHN O=C(Cc1ccc(F)cc1)NCC1CCN(CCO)CC1 ZINC000160663426 527230288 /nfs/dbraw/zinc/23/02/88/527230288.db2.gz OPMLDZVKRPDCHF-UHFFFAOYSA-N 0 3 294.370 1.189 20 70 CDIDHN C[C@H](N)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160936621 356685308 /nfs/dbraw/zinc/68/53/08/356685308.db2.gz MNKXLWPJGKZLKD-ZETCQYMHSA-N 0 3 280.715 1.353 20 70 CDIDHN CCCn1nccc1CNCCC(=O)N[C@H](C)CC ZINC000160106978 482785058 /nfs/dbraw/zinc/78/50/58/482785058.db2.gz AQQMEDBJRAQDKT-GFCCVEGCSA-N 0 3 266.389 1.688 20 70 CDIDHN Cc1cccc(O[C@H](C)CNC(=O)[C@@]2(F)CCNC2)c1 ZINC000161169767 358790048 /nfs/dbraw/zinc/79/00/48/358790048.db2.gz ZYELEWUBVJPSET-IUODEOHRSA-N 0 3 280.343 1.580 20 70 CDIDHN CCC[C@H](N)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160963843 360215018 /nfs/dbraw/zinc/21/50/18/360215018.db2.gz DDCMSENIYQJGKG-LSDHHAIUSA-N 0 3 294.395 1.751 20 70 CDIDHN c1ncn(C[C@H]2CCCN(Cc3cnc4ccccn34)C2)n1 ZINC000160302044 361397300 /nfs/dbraw/zinc/39/73/00/361397300.db2.gz MPLRJBNMYYSTMA-AWEZNQCLSA-N 0 3 296.378 1.838 20 70 CDIDHN CC(C(=O)N(C)CCOCc1ccccc1)S(C)(=O)=O ZINC000159395502 364199027 /nfs/dbraw/zinc/19/90/27/364199027.db2.gz TZFHTDINXRQSIV-LBPRGKRZSA-N 0 3 299.392 1.095 20 70 CDIDHN CC[C@H](NCCO)c1ccccc1OCC(=O)N(C)C ZINC000159706490 364254758 /nfs/dbraw/zinc/25/47/58/364254758.db2.gz ZOVWCJUGSVFNQW-ZDUSSCGKSA-N 0 3 280.368 1.187 20 70 CDIDHN CN(CCn1ccnc1)C[C@H](O)COCc1ccccc1 ZINC000159818301 364270340 /nfs/dbraw/zinc/27/03/40/364270340.db2.gz HNIYUSBGVFZGES-INIZCTEOSA-N 0 3 289.379 1.393 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1C ZINC000160226077 364321405 /nfs/dbraw/zinc/32/14/05/364321405.db2.gz KIMPJKDEBMZSLT-MRXNPFEDSA-N 0 3 290.407 1.880 20 70 CDIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCO ZINC000159958722 364286631 /nfs/dbraw/zinc/28/66/31/364286631.db2.gz QAZNNEUKPPNAFN-HIFRSBDPSA-N 0 3 291.395 1.189 20 70 CDIDHN O=C(NCCN1CCCCC1)c1cccc(-c2nc[nH]n2)c1 ZINC000160486680 364361804 /nfs/dbraw/zinc/36/18/04/364361804.db2.gz YZILHZIQWQSRLO-UHFFFAOYSA-N 0 3 299.378 1.687 20 70 CDIDHN Cc1ncsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160618266 364383225 /nfs/dbraw/zinc/38/32/25/364383225.db2.gz KCXUFTZYLXGWNV-LLVKDONJSA-N 0 3 283.397 1.028 20 70 CDIDHN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCNCC1 ZINC000160861056 364420666 /nfs/dbraw/zinc/42/06/66/364420666.db2.gz HMUTXLJERBDOIS-VXGBXAGGSA-N 0 3 280.318 1.890 20 70 CDIDHN CC[C@H](C(=O)NCCN(C)Cc1ccccc1)N(C)C ZINC000161454842 364495419 /nfs/dbraw/zinc/49/54/19/364495419.db2.gz GMJKHFUNKMTQKD-OAHLLOKOSA-N 0 3 277.412 1.575 20 70 CDIDHN O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CCC[C@H]1O ZINC000161204137 367603263 /nfs/dbraw/zinc/60/32/63/367603263.db2.gz LUJQNFWJTSJGSI-ZIAGYGMSSA-N 0 3 296.411 1.051 20 70 CDIDHN CC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2C)C1 ZINC000160841979 376147123 /nfs/dbraw/zinc/14/71/23/376147123.db2.gz PVKPNXUXSPULAV-UONOGXRCSA-N 0 3 262.353 1.632 20 70 CDIDHN CCCO[C@H]1CCCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000159469509 276267189 /nfs/dbraw/zinc/26/71/89/276267189.db2.gz OKNPEJQPSGHNIX-UONOGXRCSA-N 0 3 268.401 1.936 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)N[C@H](C)CN1CCCCC1 ZINC000160367115 277344342 /nfs/dbraw/zinc/34/43/42/277344342.db2.gz OFWBADVQLWCHJG-CQSZACIVSA-N 0 3 297.443 1.529 20 70 CDIDHN Cc1ccccc1CC(=O)NCC1CCN(CCO)CC1 ZINC000160678029 525095019 /nfs/dbraw/zinc/09/50/19/525095019.db2.gz WAIVIWCGWBKXJU-UHFFFAOYSA-N 0 3 290.407 1.358 20 70 CDIDHN C[C@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508132 361872004 /nfs/dbraw/zinc/87/20/04/361872004.db2.gz YMKVJSNGJFXDTP-HZMBPMFUSA-N 0 3 296.798 1.959 20 70 CDIDHN Cc1cc(NC(=O)[C@H](C)N)ccc1OC1CCOCC1 ZINC000160938727 356685246 /nfs/dbraw/zinc/68/52/46/356685246.db2.gz PNSFOPZPKQSCSV-NSHDSACASA-N 0 3 278.352 1.839 20 70 CDIDHN Cc1ccccc1OC[C@@H](O)CNCCOC(C)C ZINC000160214173 482788748 /nfs/dbraw/zinc/78/87/48/482788748.db2.gz MWNBCQFASDKOSC-AWEZNQCLSA-N 0 3 267.369 1.749 20 70 CDIDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@](C)(O)C1 ZINC000160320396 363815650 /nfs/dbraw/zinc/81/56/50/363815650.db2.gz IAQPBYZMSCARSW-ZFWWWQNUSA-N 0 3 283.416 1.417 20 70 CDIDHN COCCN(C)CCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000159386926 364196782 /nfs/dbraw/zinc/19/67/82/364196782.db2.gz RIXMUBDOJBKLLE-XCLFUZPHSA-N 0 3 298.452 1.653 20 70 CDIDHN CCC[C@H](N)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159501711 364221183 /nfs/dbraw/zinc/22/11/83/364221183.db2.gz RSVYHCYCKJWXAG-NSHDSACASA-N 0 3 259.313 1.538 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(Cl)c1 ZINC000160079124 364304242 /nfs/dbraw/zinc/30/42/42/364304242.db2.gz BHIOMTUNUAAXRA-CQSZACIVSA-N 0 3 296.798 1.917 20 70 CDIDHN CC[C@H](N)C(=O)NCc1ccccc1OCC1CC1 ZINC000160100261 364305739 /nfs/dbraw/zinc/30/57/39/364305739.db2.gz MFSNRPJCKSLEHU-ZDUSSCGKSA-N 0 3 262.353 1.829 20 70 CDIDHN COc1cccc(OCCCNC(=O)[C@H]2CCCCN2)c1 ZINC000160194579 364316864 /nfs/dbraw/zinc/31/68/64/364316864.db2.gz GSZFKAHDTBDGOG-OAHLLOKOSA-N 0 3 292.379 1.722 20 70 CDIDHN CC(C)n1nccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160612248 364382710 /nfs/dbraw/zinc/38/27/10/364382710.db2.gz HONSEFMWNJKBDH-CYBMUJFWSA-N 0 3 294.399 1.041 20 70 CDIDHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)s1 ZINC000160698195 364397119 /nfs/dbraw/zinc/39/71/19/364397119.db2.gz FWRSONAGZOTDRA-GFCCVEGCSA-N 0 3 297.424 1.337 20 70 CDIDHN C[C@H](CC(=O)N1CCC[C@H]1CN)C(=O)c1cccc(F)c1 ZINC000160185839 377031709 /nfs/dbraw/zinc/03/17/09/377031709.db2.gz CDXWKRLYDBOGKT-RISCZKNCSA-N 0 3 292.354 1.984 20 70 CDIDHN C[C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)N(C)C1CC1 ZINC000161311520 377185690 /nfs/dbraw/zinc/18/56/90/377185690.db2.gz DTILDFHXBICGRB-NWDGAFQWSA-N 0 3 276.384 1.044 20 70 CDIDHN CC1(C)C[C@H](NCc2nnc3n2CCCC3)CCO1 ZINC000217319576 424609654 /nfs/dbraw/zinc/60/96/54/424609654.db2.gz NKAFWEDRVDIRJL-LLVKDONJSA-N 0 3 264.373 1.662 20 70 CDIDHN CC(C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000161476892 277449390 /nfs/dbraw/zinc/44/93/90/277449390.db2.gz AZWOAQIRDHCZQU-GXTWGEPZSA-N 0 3 256.365 1.973 20 70 CDIDHN C[C@@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000161096287 278304496 /nfs/dbraw/zinc/30/44/96/278304496.db2.gz JFNJVOBFRSCYKY-JRKPZEMJSA-N 0 3 250.317 1.913 20 70 CDIDHN C[C@H]1CC[C@H](C(=O)NCc2ccc(CN(C)C)cc2)O1 ZINC000159559650 292761877 /nfs/dbraw/zinc/76/18/77/292761877.db2.gz FWNBIHRQTWTUGR-SWLSCSKDSA-N 0 3 276.380 1.932 20 70 CDIDHN CCCn1nccc1CNCCCN1CCN(C)CC1 ZINC000159980479 482774361 /nfs/dbraw/zinc/77/43/61/482774361.db2.gz PBNZGZAOJRFPGX-UHFFFAOYSA-N 0 3 279.432 1.020 20 70 CDIDHN COC(CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)OC ZINC000160597165 522530073 /nfs/dbraw/zinc/53/00/73/522530073.db2.gz PHAMZMOGBYWQEY-CYBMUJFWSA-N 0 3 298.427 1.576 20 70 CDIDHN COc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160686395 523692636 /nfs/dbraw/zinc/69/26/36/523692636.db2.gz TYXMEWIQQBSBKO-UHFFFAOYSA-N 0 3 292.379 1.129 20 70 CDIDHN CCC(CC)(CNC(=O)NC[C@H]1CCCN1C)C(=O)OC ZINC000159719390 282101079 /nfs/dbraw/zinc/10/10/79/282101079.db2.gz QJHVCUCWFAVJRT-GFCCVEGCSA-N 0 3 299.415 1.359 20 70 CDIDHN C[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159614037 361751364 /nfs/dbraw/zinc/75/13/64/361751364.db2.gz FFEOSUDHKRDAIZ-YUMQZZPRSA-N 0 3 294.742 1.914 20 70 CDIDHN CSCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159728198 361814997 /nfs/dbraw/zinc/81/49/97/361814997.db2.gz YGDRHJLVVYCDIW-OCCSQVGLSA-N 0 3 278.421 1.913 20 70 CDIDHN CCCNC(=O)[C@H]1CCCN(CCOCC2CC2)C1 ZINC000159874092 361893822 /nfs/dbraw/zinc/89/38/22/361893822.db2.gz FVLDPZZYUMJLSI-AWEZNQCLSA-N 0 3 268.401 1.651 20 70 CDIDHN CC(C)OC1CCC(NC(=O)C(C)S(C)(=O)=O)CC1 ZINC000159545011 539114362 /nfs/dbraw/zinc/11/43/62/539114362.db2.gz FPNBGDIDHGIRNL-UNXYVOJBSA-N 0 3 291.413 1.272 20 70 CDIDHN CN(CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161076117 539117185 /nfs/dbraw/zinc/11/71/85/539117185.db2.gz CIJCXIHBXXYONJ-UHFFFAOYSA-N 0 3 255.383 1.943 20 70 CDIDHN CN(Cc1cc(=O)n2ccccc2n1)C[C@H]1CCC[C@@H]1O ZINC000159764751 362515006 /nfs/dbraw/zinc/51/50/06/362515006.db2.gz FLZQFHGKQGNREQ-OCCSQVGLSA-N 0 3 287.363 1.287 20 70 CDIDHN CCCCN(CCOC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160685302 346194923 /nfs/dbraw/zinc/19/49/23/346194923.db2.gz OBOZBFRJNSGMKL-OAHLLOKOSA-N 0 3 297.443 1.929 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)[C@@H]2CCOC2)CC1 ZINC000159910506 363440640 /nfs/dbraw/zinc/44/06/40/363440640.db2.gz QKIAUKGAAUVFBT-QWHCGFSZSA-N 0 3 269.389 1.149 20 70 CDIDHN C[C@H](CN1CCCCC1)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000159898049 363426099 /nfs/dbraw/zinc/42/60/99/363426099.db2.gz MPFQGHRUKFBVQG-ZIAGYGMSSA-N 0 3 299.484 1.414 20 70 CDIDHN Cc1cc(CN(C)C)cc(NC(=O)[C@]2(O)CCSC2)c1 ZINC000159401981 364199663 /nfs/dbraw/zinc/19/96/63/364199663.db2.gz STHVMXMSLXKFKM-HNNXBMFYSA-N 0 3 294.420 1.863 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccnc(Cl)c1 ZINC000160374285 364343146 /nfs/dbraw/zinc/34/31/46/364343146.db2.gz KNJSKNFMDYVEGQ-GFCCVEGCSA-N 0 3 297.786 1.312 20 70 CDIDHN C/C=C/C=C/C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160284461 364329021 /nfs/dbraw/zinc/32/90/21/364329021.db2.gz KUPCLHWGRQTOMN-SHRLJSFUSA-N 0 3 252.358 1.082 20 70 CDIDHN CC(C)N1C[C@H](NC(=O)c2ccc3nncn3c2)[C@@H](C)C1 ZINC000161284793 364474996 /nfs/dbraw/zinc/47/49/96/364474996.db2.gz ZKTCLLZIPKBTMX-AAEUAGOBSA-N 0 3 287.367 1.188 20 70 CDIDHN CC[C@H](N)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161453194 364495468 /nfs/dbraw/zinc/49/54/68/364495468.db2.gz XHTBXJXVKPXPPS-JSGCOSHPSA-N 0 3 292.354 1.984 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159836714 391639932 /nfs/dbraw/zinc/63/99/32/391639932.db2.gz XPRIDRFWKZHZEQ-OPQQBVKSSA-N 0 3 282.771 1.976 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)CC(C)(C)OC)CC1 ZINC000159912883 279285914 /nfs/dbraw/zinc/28/59/14/279285914.db2.gz OVMDZEYALLMGIY-ZDUSSCGKSA-N 0 3 285.432 1.927 20 70 CDIDHN C[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)N1CCC(C)CC1 ZINC000161210734 292801837 /nfs/dbraw/zinc/80/18/37/292801837.db2.gz SIWKWSURBAEUBH-GOEBONIOSA-N 0 3 297.443 1.663 20 70 CDIDHN CC[C@H](O)CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161263853 292803159 /nfs/dbraw/zinc/80/31/59/292803159.db2.gz ZVGNILIVQRDXDI-VHSXEESVSA-N 0 3 255.280 1.393 20 70 CDIDHN CS(=O)(=O)N1CCC[C@@H](CN2CCCSCC2)C1 ZINC000161478684 482879956 /nfs/dbraw/zinc/87/99/56/482879956.db2.gz WZPXKORYALEKGP-LBPRGKRZSA-N 0 3 292.470 1.097 20 70 CDIDHN CC[C@H](C)c1cc(C(=O)NC[C@H]2CCN(C)C2)on1 ZINC000161313876 522031352 /nfs/dbraw/zinc/03/13/52/522031352.db2.gz AJTXDMGIEUVHRN-WDEREUQCSA-N 0 3 265.357 1.870 20 70 CDIDHN CC(C)(C)[C@H](N)C(=O)Nc1nncn1Cc1ccccc1 ZINC000159632625 342367706 /nfs/dbraw/zinc/36/77/06/342367706.db2.gz MPHWCSAAIHJUMV-GFCCVEGCSA-N 0 3 287.367 1.638 20 70 CDIDHN Brc1cnccc1NC[C@@H]1CNCCO1 ZINC000159925703 362380351 /nfs/dbraw/zinc/38/03/51/362380351.db2.gz RGUMCLCNNZNPTN-QMMMGPOBSA-N 0 3 272.146 1.244 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2CCCSC2)CC1 ZINC000159946033 362771138 /nfs/dbraw/zinc/77/11/38/362771138.db2.gz AXSHIHJBBFCREW-GFCCVEGCSA-N 0 3 271.430 1.619 20 70 CDIDHN CCN1CCC[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC000159573847 362927618 /nfs/dbraw/zinc/92/76/18/362927618.db2.gz AIFMWHDDWNXXDG-CYBMUJFWSA-N 0 3 268.401 1.794 20 70 CDIDHN CCC[C@@H](C(=O)NCC1CCN(CCO)CC1)C(C)C ZINC000160007462 363571097 /nfs/dbraw/zinc/57/10/97/363571097.db2.gz ZXYNQWMWTBNJDR-OAHLLOKOSA-N 0 3 284.444 1.879 20 70 CDIDHN CC(C)OCCNC[C@H](O)COc1ccc(F)cc1 ZINC000160199153 482788469 /nfs/dbraw/zinc/78/84/69/482788469.db2.gz HWKFCZXBWAWNQF-ZDUSSCGKSA-N 0 3 271.332 1.580 20 70 CDIDHN CCN1CCCN(C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000159927530 364281513 /nfs/dbraw/zinc/28/15/13/364281513.db2.gz ZCQIICNDZSXYSC-UHFFFAOYSA-N 0 3 293.415 1.274 20 70 CDIDHN CC[C@H](N)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000159965220 364287219 /nfs/dbraw/zinc/28/72/19/364287219.db2.gz SKUBGGVXCIWMGE-KWQFWETISA-N 0 3 284.331 1.757 20 70 CDIDHN COc1cccc(OCCCNC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000160203024 364318202 /nfs/dbraw/zinc/31/82/02/364318202.db2.gz UTUFBVXPUJDFRP-CQSZACIVSA-N 0 3 294.395 1.954 20 70 CDIDHN CNCC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160448709 364353732 /nfs/dbraw/zinc/35/37/32/364353732.db2.gz GQQKRRBHDMTQEG-GFCCVEGCSA-N 0 3 250.298 1.012 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cncc(F)c1)CC2 ZINC000160506846 364364480 /nfs/dbraw/zinc/36/44/80/364364480.db2.gz UFUHEMPSMRSQKJ-RNCFNFMXSA-N 0 3 275.331 1.786 20 70 CDIDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1cccs1 ZINC000160542409 364370956 /nfs/dbraw/zinc/37/09/56/364370956.db2.gz ZLRBKUUBRYIHMU-CHWSQXEVSA-N 0 3 296.436 1.815 20 70 CDIDHN CCN1CCC(NC(=O)NOCc2cccnc2)CC1 ZINC000161011380 364438229 /nfs/dbraw/zinc/43/82/29/364438229.db2.gz HBZDKONSXYRGTJ-UHFFFAOYSA-N 0 3 278.356 1.297 20 70 CDIDHN Cc1ccoc1C(=O)NCC1CCN(CCO)CC1 ZINC000160672902 377100313 /nfs/dbraw/zinc/10/03/13/377100313.db2.gz QMDUJBLOLMVCKN-UHFFFAOYSA-N 0 3 266.341 1.022 20 70 CDIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)N)[C@H](C)CO1 ZINC000161468122 392723164 /nfs/dbraw/zinc/72/31/64/392723164.db2.gz PLRGZSFEYXQAFO-BZPMIXESSA-N 0 3 262.353 1.631 20 70 CDIDHN Cc1ccc([C@H]2CSCCN2C(=O)[C@H](C)N)cc1 ZINC000160770210 292274908 /nfs/dbraw/zinc/27/49/08/292274908.db2.gz TWVVWORUAFJEAV-WCQYABFASA-N 0 3 264.394 1.959 20 70 CDIDHN COCCN(CCN[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000218140101 263032547 /nfs/dbraw/zinc/03/25/47/263032547.db2.gz NQUZQPYADQZRIQ-GFCCVEGCSA-N 0 3 288.388 1.248 20 70 CDIDHN COC[C@@H](NC(=O)[C@@H](C)N)c1cccc(C(F)(F)F)c1 ZINC000161144728 482864352 /nfs/dbraw/zinc/86/43/52/482864352.db2.gz VSZRJYWMTMKOJR-LDYMZIIASA-N 0 3 290.285 1.856 20 70 CDIDHN CC(C)n1ccnc1CN1CCN(CC2CC2)CC1 ZINC000160815839 528606147 /nfs/dbraw/zinc/60/61/47/528606147.db2.gz DOOULBYGLGIWOF-UHFFFAOYSA-N 0 3 262.401 1.992 20 70 CDIDHN COC[C@H](Cc1ccccc1)NCC(C)(C)S(C)(=O)=O ZINC000159884925 538846643 /nfs/dbraw/zinc/84/66/43/538846643.db2.gz SGUMKWAUFKHKFD-AWEZNQCLSA-N 0 3 299.436 1.657 20 70 CDIDHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000161157303 361900829 /nfs/dbraw/zinc/90/08/29/361900829.db2.gz YVDOKBGUILWRHW-ZOWXZIJZSA-N 0 3 294.395 1.952 20 70 CDIDHN COCCN1CCC[C@@H]1CNC(=O)CCCn1cccc1 ZINC000159412057 362319887 /nfs/dbraw/zinc/31/98/87/362319887.db2.gz VZRQLDFKIMACLG-OAHLLOKOSA-N 0 3 293.411 1.495 20 70 CDIDHN CSCC[C@H](N)C(=O)NCc1cc(C(C)C)no1 ZINC000160150217 345607535 /nfs/dbraw/zinc/60/75/35/345607535.db2.gz WIRTXIIWRLZKQY-JTQLQIEISA-N 0 3 271.386 1.495 20 70 CDIDHN Cn1cnnc1CN1CCN(CCC(C)(C)C)CC1 ZINC000160830738 346637400 /nfs/dbraw/zinc/63/74/00/346637400.db2.gz KZKLMZMZLKXYLE-UHFFFAOYSA-N 0 3 265.405 1.369 20 70 CDIDHN CN(C)Cc1ccc(C(=O)N2CCC(C)(O)CC2)cc1 ZINC000161250873 362919100 /nfs/dbraw/zinc/91/91/00/362919100.db2.gz KPWOUKNEJLKVIU-UHFFFAOYSA-N 0 3 276.380 1.735 20 70 CDIDHN CCCN1CCCN(C(=O)[C@@H](C)OCCOCC)CC1 ZINC000160368683 283326408 /nfs/dbraw/zinc/32/64/08/283326408.db2.gz QRRXKOQAUWOARR-CQSZACIVSA-N 0 3 286.416 1.372 20 70 CDIDHN N[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000159617666 237155311 /nfs/dbraw/zinc/15/53/11/237155311.db2.gz ALTFVUADSVCGOG-HZSPNIEDSA-N 0 3 259.353 1.039 20 70 CDIDHN Cc1cccc([C@@H](C)CNC(=O)C[C@H]2CNCCO2)c1 ZINC000160736101 237184318 /nfs/dbraw/zinc/18/43/18/237184318.db2.gz YYHPWTUDOKXWLS-ZFWWWQNUSA-N 0 3 276.380 1.593 20 70 CDIDHN CCn1nccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159463900 360193568 /nfs/dbraw/zinc/19/35/68/360193568.db2.gz CPZDXTSHUUPDQP-MJBXVCDLSA-N 0 3 261.369 1.950 20 70 CDIDHN C[C@@H](N)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160967176 360217002 /nfs/dbraw/zinc/21/70/02/360217002.db2.gz DAMVGVJZAPECPS-LDWIPMOCSA-N 0 3 277.151 1.490 20 70 CDIDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H](C)N ZINC000161056334 360493553 /nfs/dbraw/zinc/49/35/53/360493553.db2.gz VFGPOWJDADQTAY-AUTRQRHGSA-N 0 3 270.760 1.879 20 70 CDIDHN C[C@H]1CCCN(CCNC(=O)N2CCC[C@@](C)(O)C2)C1 ZINC000160306892 363818308 /nfs/dbraw/zinc/81/83/08/363818308.db2.gz NZEQKSREWWUMAG-DZGCQCFKSA-N 0 3 283.416 1.275 20 70 CDIDHN CC(C)C[C@@H](NCCN1C(=O)CNC1=O)c1cccs1 ZINC000159650601 364247363 /nfs/dbraw/zinc/24/73/63/364247363.db2.gz KKHPQCACQOAWFC-LLVKDONJSA-N 0 3 295.408 1.977 20 70 CDIDHN COCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000160364108 364340687 /nfs/dbraw/zinc/34/06/87/364340687.db2.gz XOYQINHVIXNOIH-HNNXBMFYSA-N 0 3 292.423 1.948 20 70 CDIDHN O=C(/C=C/c1cccnc1)NC[C@@H](O)CN1CCCCC1 ZINC000160094858 364305823 /nfs/dbraw/zinc/30/58/23/364305823.db2.gz TVCJTBQPFIIXCA-LQYUOIDQSA-N 0 3 289.379 1.058 20 70 CDIDHN CCc1ncc(NC(=O)NCCN(C)CCCOC)cn1 ZINC000161157937 364456278 /nfs/dbraw/zinc/45/62/78/364456278.db2.gz MZDDNUJTFHMXOO-UHFFFAOYSA-N 0 3 295.387 1.129 20 70 CDIDHN Cc1cnccc1CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000160812747 364412944 /nfs/dbraw/zinc/41/29/44/364412944.db2.gz CNNAJBZFOSLBDA-ZDUSSCGKSA-N 0 3 290.411 1.714 20 70 CDIDHN O=C(/C=C/c1ccc2c(c1)CCO2)N1CCCNCC1 ZINC000160852324 364419004 /nfs/dbraw/zinc/41/90/04/364419004.db2.gz DLRBLQDHXSYXFQ-HWKANZROSA-N 0 3 272.348 1.457 20 70 CDIDHN O=C(CCN1CCC(c2cc[nH]n2)CC1)N1CCCCC1 ZINC000160551028 370408847 /nfs/dbraw/zinc/40/88/47/370408847.db2.gz KYFVDGDIIZDFSF-UHFFFAOYSA-N 0 3 290.411 1.992 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000160662210 377099738 /nfs/dbraw/zinc/09/97/38/377099738.db2.gz QQESNHHHBWLJOI-UHFFFAOYSA-N 0 3 296.798 1.774 20 70 CDIDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H](C)N)cc1 ZINC000161100763 390967334 /nfs/dbraw/zinc/96/73/34/390967334.db2.gz IDBGWMBVYGWQFJ-SNPRPXQTSA-N 0 3 276.380 1.926 20 70 CDIDHN CCS(=O)(=O)c1ccc([C@H](C)NCC(C)(C)O)cc1 ZINC000159466785 292759730 /nfs/dbraw/zinc/75/97/30/292759730.db2.gz XNAZNTSZMZUWBC-NSHDSACASA-N 0 3 285.409 1.902 20 70 CDIDHN CCOC(=O)C[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160414110 520833216 /nfs/dbraw/zinc/83/32/16/520833216.db2.gz VCHSOQSFLUJAPC-GFCCVEGCSA-N 0 3 292.379 1.820 20 70 CDIDHN COCCCN(C)CCNC(=O)c1sc(C)nc1C ZINC000161062553 523225934 /nfs/dbraw/zinc/22/59/34/523225934.db2.gz PSVCQIDAAVPHHG-UHFFFAOYSA-N 0 3 285.413 1.458 20 70 CDIDHN CNC(=O)[C@H](C)CN(C)Cc1cnc2ccccn12 ZINC000160944919 524094914 /nfs/dbraw/zinc/09/49/14/524094914.db2.gz MWJTXJKIBZDLSV-LLVKDONJSA-N 0 3 260.341 1.148 20 70 CDIDHN C[C@H](CCO)NCc1cncc(Br)c1 ZINC000160594006 362455323 /nfs/dbraw/zinc/45/53/23/362455323.db2.gz IXCDGLLJMHJOHF-MRVPVSSYSA-N 0 3 259.147 1.705 20 70 CDIDHN CN1CCC(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000218094175 344859770 /nfs/dbraw/zinc/85/97/70/344859770.db2.gz WVMLRQYVLMNZGX-AWEZNQCLSA-N 0 3 288.395 1.118 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccccc1F ZINC000160603278 188482792 /nfs/dbraw/zinc/48/27/92/188482792.db2.gz XWYMNJBCUDRGNP-GFCCVEGCSA-N 0 3 280.343 1.402 20 70 CDIDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](C)N)cc1 ZINC000161100001 363263720 /nfs/dbraw/zinc/26/37/20/363263720.db2.gz IDBGWMBVYGWQFJ-CFVMTHIKSA-N 0 3 276.380 1.926 20 70 CDIDHN C[C@@H](N)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000160937023 356685689 /nfs/dbraw/zinc/68/56/89/356685689.db2.gz MNKXLWPJGKZLKD-SSDOTTSWSA-N 0 3 280.715 1.353 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161067875 360764620 /nfs/dbraw/zinc/76/46/20/360764620.db2.gz QKVAMQCTUWLAPJ-RDBSUJKOSA-N 0 3 266.385 1.450 20 70 CDIDHN CCC[C@@H](N)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC000159587982 364238143 /nfs/dbraw/zinc/23/81/43/364238143.db2.gz OSJMVWOQOYKDIG-GFCCVEGCSA-N 0 3 280.368 1.838 20 70 CDIDHN O=C(C[C@H]1CNCCO1)NC1(c2cccc(Cl)c2)CC1 ZINC000160522740 364366168 /nfs/dbraw/zinc/36/61/68/364366168.db2.gz LAWNTBMCZJQYFJ-ZDUSSCGKSA-N 0 3 294.782 1.824 20 70 CDIDHN COCCN(C)CCNC(=O)c1ccc(Cl)cc1C ZINC000161173029 364459517 /nfs/dbraw/zinc/45/95/17/364459517.db2.gz HCZMSDZQNBACFD-UHFFFAOYSA-N 0 3 284.787 1.956 20 70 CDIDHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000160797286 364410734 /nfs/dbraw/zinc/41/07/34/364410734.db2.gz FWJJCVWQDZKSTI-YGRLFVJLSA-N 0 3 289.379 1.627 20 70 CDIDHN OC[C@@H]1CCCCN1C[C@@H]1COc2ccccc2O1 ZINC000218443155 375838852 /nfs/dbraw/zinc/83/88/52/375838852.db2.gz PCXDPSMNPNLFRL-QWHCGFSZSA-N 0 3 263.337 1.673 20 70 CDIDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1ccc2c(c1)CNC2 ZINC000218063595 413386173 /nfs/dbraw/zinc/38/61/73/413386173.db2.gz WCJOMUAEHSUJLB-JBBSTSQOSA-N 0 3 288.391 1.966 20 70 CDIDHN CCCn1nccc1CNC1CCN(C(C)=O)CC1 ZINC000160080944 482780499 /nfs/dbraw/zinc/78/04/99/482780499.db2.gz CLWQFRMXKJMDBA-UHFFFAOYSA-N 0 3 264.373 1.394 20 70 CDIDHN COCC[C@@H](C)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000160561846 521795708 /nfs/dbraw/zinc/79/57/08/521795708.db2.gz JFXAQYGKKQCBAC-LLVKDONJSA-N 0 3 289.372 1.614 20 70 CDIDHN COc1ccc(CCNC(=O)[C@H](C)N)c(Cl)c1 ZINC000160599992 523967469 /nfs/dbraw/zinc/96/74/69/523967469.db2.gz MAFADJXSQLGEPC-QMMMGPOBSA-N 0 3 256.733 1.355 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000159547938 528896948 /nfs/dbraw/zinc/89/69/48/528896948.db2.gz WLBSOKLBXHFBFW-AWEZNQCLSA-N 0 3 271.405 1.537 20 70 CDIDHN C[C@H](CNC(=O)C1(N)CC1)Sc1ccccc1 ZINC000161115867 361874125 /nfs/dbraw/zinc/87/41/25/361874125.db2.gz PAKIBGCUORBUAN-SNVBAGLBSA-N 0 3 250.367 1.775 20 70 CDIDHN CCCN1CCCN(C(=O)c2ccc(OC)nn2)CC1 ZINC000159928676 361949811 /nfs/dbraw/zinc/94/98/11/361949811.db2.gz XUMSQCKASJLDFL-UHFFFAOYSA-N 0 3 278.356 1.043 20 70 CDIDHN CCCC[C@@H](COC)NCC(C)(C)S(C)(=O)=O ZINC000159898925 539115003 /nfs/dbraw/zinc/11/50/03/539115003.db2.gz MHOFSNSSACVHEE-NSHDSACASA-N 0 3 265.419 1.604 20 70 CDIDHN Cc1nc([C@H](NC(=O)[C@H](C)N)c2ccccc2F)no1 ZINC000160137831 362036870 /nfs/dbraw/zinc/03/68/70/362036870.db2.gz YYNUXVGQTQDLDK-WRWORJQWSA-N 0 3 278.287 1.070 20 70 CDIDHN CCC(CC)[C@H](O)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000159758994 362363458 /nfs/dbraw/zinc/36/34/58/362363458.db2.gz PDEHPNUIGWPZDU-LSDHHAIUSA-N 0 3 278.396 1.470 20 70 CDIDHN CC[C@H](COC)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000159448677 344957908 /nfs/dbraw/zinc/95/79/08/344957908.db2.gz ASXQTBUOJVGLJM-VXGBXAGGSA-N 0 3 257.378 1.052 20 70 CDIDHN C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000159454670 358575141 /nfs/dbraw/zinc/57/51/41/358575141.db2.gz KAZAXEGAWLKFKF-GFCCVEGCSA-N 0 3 295.358 1.672 20 70 CDIDHN C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000159454670 358575146 /nfs/dbraw/zinc/57/51/46/358575146.db2.gz KAZAXEGAWLKFKF-GFCCVEGCSA-N 0 3 295.358 1.672 20 70 CDIDHN CN(C)[C@@H]1CCCN(C(=O)CCCn2cccc2)C1 ZINC000159362031 364191852 /nfs/dbraw/zinc/19/18/52/364191852.db2.gz ZIIZXKSTXFWNKZ-CQSZACIVSA-N 0 3 263.385 1.821 20 70 CDIDHN O=C(CNCC1CC1)Nc1cnn(CC(F)(F)F)c1 ZINC000159698506 364255079 /nfs/dbraw/zinc/25/50/79/364255079.db2.gz CWCZQYHTOBNOMS-UHFFFAOYSA-N 0 3 276.262 1.384 20 70 CDIDHN COCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000160363993 364341620 /nfs/dbraw/zinc/34/16/20/364341620.db2.gz XOYQINHVIXNOIH-OAHLLOKOSA-N 0 3 292.423 1.948 20 70 CDIDHN Cc1cnccc1CCNC(=O)NC[C@@H]1CCCN1C ZINC000160032428 364296556 /nfs/dbraw/zinc/29/65/56/364296556.db2.gz VEYAXPPHMZREDR-AWEZNQCLSA-N 0 3 276.384 1.326 20 70 CDIDHN C[C@@H]1CCC[C@@H](C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000160409291 364346989 /nfs/dbraw/zinc/34/69/89/364346989.db2.gz ZRLBLDNWBYNRDY-HZPDHXFCSA-N 0 3 295.471 1.957 20 70 CDIDHN CCC[C@@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160417783 364349859 /nfs/dbraw/zinc/34/98/59/364349859.db2.gz NWLRSHRRBNPHLC-LLVKDONJSA-N 0 3 261.325 1.637 20 70 CDIDHN O=C(CNCC1CC1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000161331904 364479248 /nfs/dbraw/zinc/47/92/48/364479248.db2.gz QIYSAPZUAARQPA-UHFFFAOYSA-N 0 3 278.356 1.242 20 70 CDIDHN CSCC[C@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000161405589 373521254 /nfs/dbraw/zinc/52/12/54/373521254.db2.gz ZSNCVUMQGOWSCN-LBPRGKRZSA-N 0 3 274.430 1.342 20 70 CDIDHN NC1(C(=O)NCc2ccccc2OCCO)CCCCC1 ZINC000161250434 377522855 /nfs/dbraw/zinc/52/28/55/377522855.db2.gz DOBFYONDDDMLAW-UHFFFAOYSA-N 0 3 292.379 1.336 20 70 CDIDHN COC(CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1)OC ZINC000160597264 522529310 /nfs/dbraw/zinc/52/93/10/522529310.db2.gz PHAMZMOGBYWQEY-ZDUSSCGKSA-N 0 3 298.427 1.576 20 70 CDIDHN CN(C)C1(CNS(=O)(=O)c2cccc(N)c2)CCCC1 ZINC000160684713 524036963 /nfs/dbraw/zinc/03/69/63/524036963.db2.gz YYRYAJLOMJJXQX-UHFFFAOYSA-N 0 3 297.424 1.422 20 70 CDIDHN CC1(NC(=O)N[C@H]2CCN(CC3CC3)C2)CCC1 ZINC000161400603 539117671 /nfs/dbraw/zinc/11/76/71/539117671.db2.gz DHNOZSHFLMTHNP-LBPRGKRZSA-N 0 3 251.374 1.713 20 70 CDIDHN COCCN(C)CCNC(=O)c1sc(C)nc1C ZINC000161062403 362545004 /nfs/dbraw/zinc/54/50/04/362545004.db2.gz NWOUBBLPWRVKJM-UHFFFAOYSA-N 0 3 271.386 1.068 20 70 CDIDHN CCOCCC1(CNC(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000159861918 363390674 /nfs/dbraw/zinc/39/06/74/363390674.db2.gz LWJYDDJECIHWQH-ZDUSSCGKSA-N 0 3 297.443 1.975 20 70 CDIDHN Cc1ccccc1[C@H](C)NCCN1C(=O)CNC1=O ZINC000159619713 364242003 /nfs/dbraw/zinc/24/20/03/364242003.db2.gz KXDYZYXGRXGPHH-NSHDSACASA-N 0 3 261.325 1.197 20 70 CDIDHN CC(C)C[C@H](NCCN1C(=O)CNC1=O)c1cccs1 ZINC000159650466 364247447 /nfs/dbraw/zinc/24/74/47/364247447.db2.gz KKHPQCACQOAWFC-NSHDSACASA-N 0 3 295.408 1.977 20 70 CDIDHN Cc1n[nH]cc1CCCNC(=O)[C@H](C(C)C)N(C)C ZINC000159685691 364250820 /nfs/dbraw/zinc/25/08/20/364250820.db2.gz HSXVULOFHIRTHL-ZDUSSCGKSA-N 0 3 266.389 1.353 20 70 CDIDHN CCN1CCC(NC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000160338515 364338259 /nfs/dbraw/zinc/33/82/59/364338259.db2.gz LMZLOYSZXZOQPS-UHFFFAOYSA-N 0 3 299.378 1.481 20 70 CDIDHN COCCCN(C)CCNC(=O)Cc1nc(C)sc1C ZINC000160007452 364294074 /nfs/dbraw/zinc/29/40/74/364294074.db2.gz ITZXTZHOOKNOFX-UHFFFAOYSA-N 0 3 299.440 1.387 20 70 CDIDHN CC[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160391657 364344180 /nfs/dbraw/zinc/34/41/80/364344180.db2.gz SIUWNVYBPBMBQE-OCCSQVGLSA-N 0 3 264.344 1.954 20 70 CDIDHN O=C(CC1=CCCCC1)NCC1CCN(CCO)CC1 ZINC000160535346 377084334 /nfs/dbraw/zinc/08/43/34/377084334.db2.gz RDDGQBMCPYBKKC-UHFFFAOYSA-N 0 3 280.412 1.697 20 70 CDIDHN COc1ccc([C@@H](C)CCNC(=O)C2(N)CC2)cc1 ZINC000160550283 377086917 /nfs/dbraw/zinc/08/69/17/377086917.db2.gz TUWGQQNICAIECO-NSHDSACASA-N 0 3 262.353 1.796 20 70 CDIDHN CC[C@@H](C)OCC(=O)NC1CCN(CCOC)CC1 ZINC000161346385 377572631 /nfs/dbraw/zinc/57/26/31/377572631.db2.gz MCCWIYDKVRHQAM-GFCCVEGCSA-N 0 3 272.389 1.029 20 70 CDIDHN COc1ccc2c(c1)[C@H](N[C@H](C)CC(N)=O)CCO2 ZINC000161373819 390959367 /nfs/dbraw/zinc/95/93/67/390959367.db2.gz VBOMIKNYNUHUGT-BXKDBHETSA-N 0 3 264.325 1.372 20 70 CDIDHN CCOC[C@@H]1CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000160067296 279734294 /nfs/dbraw/zinc/73/42/94/279734294.db2.gz UJICDNMLHRNHPY-NEPJUHHUSA-N 0 3 274.430 1.342 20 70 CDIDHN CCN(C)C(=O)CNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000217368533 280088363 /nfs/dbraw/zinc/08/83/63/280088363.db2.gz KGJKLYVCLIDYQJ-UHFFFAOYSA-N 0 3 285.388 1.110 20 70 CDIDHN COCCN1CCC(NC(=O)NC[C@@H](C)SC)CC1 ZINC000159732151 292767675 /nfs/dbraw/zinc/76/76/75/292767675.db2.gz AKOPPYFXWPHAEN-LLVKDONJSA-N 0 3 289.445 1.148 20 70 CDIDHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)ncn1 ZINC000161204819 292801914 /nfs/dbraw/zinc/80/19/14/292801914.db2.gz FSTBWPJQLNJNMS-OAHLLOKOSA-N 0 3 284.363 1.818 20 70 CDIDHN CCC[C@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160680555 520998171 /nfs/dbraw/zinc/99/81/71/520998171.db2.gz NJJDACCNDHBDFF-LBPRGKRZSA-N 0 3 256.390 1.243 20 70 CDIDHN COCCN(C)CCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000160434176 523586135 /nfs/dbraw/zinc/58/61/35/523586135.db2.gz SVQFWSXNWBHMIV-KGLIPLIRSA-N 0 3 270.417 1.897 20 70 CDIDHN Cc1nc(CN(C)CCCN2CCN(C)CC2)cs1 ZINC000161497141 526839416 /nfs/dbraw/zinc/83/94/16/526839416.db2.gz KWZSRQNXOAOPRE-UHFFFAOYSA-N 0 3 282.457 1.521 20 70 CDIDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CN ZINC000161056802 361750359 /nfs/dbraw/zinc/75/03/59/361750359.db2.gz ABRDJFTVLSKKNW-UFBFGSQYSA-N 0 3 256.733 1.491 20 70 CDIDHN C[C@@H](C(=O)NC(C)(C)C)N1CCN(c2ccncc2)CC1 ZINC000161379158 539117610 /nfs/dbraw/zinc/11/76/10/539117610.db2.gz JXUCULJSLHTGJY-ZDUSSCGKSA-N 0 3 290.411 1.507 20 70 CDIDHN CN1CCC[C@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC000159464408 342366628 /nfs/dbraw/zinc/36/66/28/342366628.db2.gz MPQQIZKOLHLCAE-LLVKDONJSA-N 0 3 272.352 1.635 20 70 CDIDHN CC[C@H]1Oc2cc([C@H](C)NC(=O)CNC)ccc2NC1=O ZINC000161371986 362801180 /nfs/dbraw/zinc/80/11/80/362801180.db2.gz LHHOCDBMIKJSCL-JOYOIKCWSA-N 0 3 291.351 1.193 20 70 CDIDHN CCN(CC)CCNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000159586784 363013602 /nfs/dbraw/zinc/01/36/02/363013602.db2.gz LWNNRGFJNLZIHG-WCQYABFASA-N 0 3 254.374 1.450 20 70 CDIDHN CC(=O)N(C)c1cccc(NC(=O)[C@@H](N)CC(C)C)c1 ZINC000160334843 358178760 /nfs/dbraw/zinc/17/87/60/358178760.db2.gz MLPNDGIDPFUGRE-AWEZNQCLSA-N 0 3 277.368 1.981 20 70 CDIDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CN ZINC000161056925 360494928 /nfs/dbraw/zinc/49/49/28/360494928.db2.gz ABRDJFTVLSKKNW-PELKAZGASA-N 0 3 256.733 1.491 20 70 CDIDHN CC(C)C[C@H](N)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000160845930 361379061 /nfs/dbraw/zinc/37/90/61/361379061.db2.gz ANYDORKVDLOOFS-OBJOEFQTSA-N 0 3 256.390 1.417 20 70 CDIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CN(C)C ZINC000159371244 364192890 /nfs/dbraw/zinc/19/28/90/364192890.db2.gz VQXCUZFTEBGLFK-ZFWWWQNUSA-N 0 3 275.396 1.185 20 70 CDIDHN CSCC[C@H](N)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000159500818 364222082 /nfs/dbraw/zinc/22/20/82/364222082.db2.gz XQMRPNGNFBJSRK-NSHDSACASA-N 0 3 291.380 1.491 20 70 CDIDHN CN(CCNC(=O)C[C@@H]1COC(=O)C1)Cc1ccccc1 ZINC000161456795 364494796 /nfs/dbraw/zinc/49/47/96/364494796.db2.gz SIZOAVMILSEXLO-AWEZNQCLSA-N 0 3 290.363 1.188 20 70 CDIDHN C[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)Nc1ccccc1 ZINC000159892565 139906157 /nfs/dbraw/zinc/90/61/57/139906157.db2.gz CFDMQBHXOHCIRW-AAEUAGOBSA-N 0 3 275.352 1.272 20 70 CDIDHN COC[C@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160784198 293035716 /nfs/dbraw/zinc/03/57/16/293035716.db2.gz QLFNYHHTVZAKKI-ZFWWWQNUSA-N 0 3 276.380 1.975 20 70 CDIDHN CCc1ccccc1CNC(=O)[C@]1(F)CCNC1 ZINC000160372319 521835938 /nfs/dbraw/zinc/83/59/38/521835938.db2.gz UUTBWFNLQAJZMW-AWEZNQCLSA-N 0 3 250.317 1.567 20 70 CDIDHN CC[C@H](COC)NC(=O)N1CCCN(CC)CC1 ZINC000159889676 361903597 /nfs/dbraw/zinc/90/35/97/361903597.db2.gz BUUNLUJRUQXQIC-GFCCVEGCSA-N 0 3 257.378 1.149 20 70 CDIDHN Cc1cnccc1CCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000161013255 362480667 /nfs/dbraw/zinc/48/06/67/362480667.db2.gz QJTLPKHRORONCN-AWEZNQCLSA-N 0 3 290.411 1.574 20 70 CDIDHN CS[C@@H](C)CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000159808075 363329904 /nfs/dbraw/zinc/32/99/04/363329904.db2.gz JLEPRCIHMJGSPG-QWRGUYRKSA-N 0 3 259.419 1.379 20 70 CDIDHN CCN1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000159879488 363400757 /nfs/dbraw/zinc/40/07/57/363400757.db2.gz UGKNQTUDSGBKSW-AWEZNQCLSA-N 0 3 269.389 1.027 20 70 CDIDHN CNC(=O)[C@H]1CCCN(Cc2c(C)nc3ccccn32)C1 ZINC000160343399 363819484 /nfs/dbraw/zinc/81/94/84/363819484.db2.gz MYOFNKWTJOGYDV-ZDUSSCGKSA-N 0 3 286.379 1.601 20 70 CDIDHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000160221239 364320791 /nfs/dbraw/zinc/32/07/91/364320791.db2.gz OSAQCAUXNFOBTQ-ZDMBXUJBSA-N 0 3 267.373 1.712 20 70 CDIDHN C[C@@H](CNC(=O)c1ccc(C(N)=S)cc1)N(C)C1CC1 ZINC000218157101 367261226 /nfs/dbraw/zinc/26/12/26/367261226.db2.gz GOYFYSKMYSZOLT-JTQLQIEISA-N 0 3 291.420 1.533 20 70 CDIDHN COc1ccc(C(=O)N(CCN(C)C)C2CCCC2)nn1 ZINC000160058390 377000074 /nfs/dbraw/zinc/00/00/74/377000074.db2.gz RBSVSRAMPLXWKC-UHFFFAOYSA-N 0 3 292.383 1.432 20 70 CDIDHN COCCNCC(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000160556324 377086469 /nfs/dbraw/zinc/08/64/69/377086469.db2.gz UPADMCYBWUGPHH-ZDUSSCGKSA-N 0 3 294.395 1.541 20 70 CDIDHN CN1CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000161230475 377198722 /nfs/dbraw/zinc/19/87/22/377198722.db2.gz XLFXKKADZDIGRW-LBPRGKRZSA-N 0 3 271.405 1.177 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000159835312 278223774 /nfs/dbraw/zinc/22/37/74/278223774.db2.gz XPRIDRFWKZHZEQ-NRUUGDAUSA-N 0 3 282.771 1.976 20 70 CDIDHN CCCN1CCCN(C(=O)c2cnsn2)CC1 ZINC000160367192 519851533 /nfs/dbraw/zinc/85/15/33/519851533.db2.gz DTEHBNZWMKUGLC-UHFFFAOYSA-N 0 3 254.359 1.096 20 70 CDIDHN COc1cc(OC)c(OC)cc1NC(=O)[C@]1(F)CCNC1 ZINC000161497597 522827350 /nfs/dbraw/zinc/82/73/50/522827350.db2.gz ISHWQQQLXNHVOC-AWEZNQCLSA-N 0 3 298.314 1.353 20 70 CDIDHN CC1(NC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1 ZINC000161400483 539117600 /nfs/dbraw/zinc/11/76/00/539117600.db2.gz DHNOZSHFLMTHNP-GFCCVEGCSA-N 0 3 251.374 1.713 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161245036 362182818 /nfs/dbraw/zinc/18/28/18/362182818.db2.gz HWCLCLXFSSFXBM-UMNHJUIQSA-N 0 3 250.317 1.877 20 70 CDIDHN COCCN1CCC[C@H]1CNC(=O)CCCn1cccc1 ZINC000159412199 362320246 /nfs/dbraw/zinc/32/02/46/362320246.db2.gz VZRQLDFKIMACLG-HNNXBMFYSA-N 0 3 293.411 1.495 20 70 CDIDHN CCOc1cc(CNC[C@@]2(OC)CCOC2)ccc1O ZINC000160139667 362396757 /nfs/dbraw/zinc/39/67/57/362396757.db2.gz AOADWRUNAWXZID-HNNXBMFYSA-N 0 3 281.352 1.686 20 70 CDIDHN CNC(=O)CCNCc1cncc(Br)c1 ZINC000160570119 362446323 /nfs/dbraw/zinc/44/63/23/362446323.db2.gz VWDPTTCGDIUTJK-UHFFFAOYSA-N 0 3 272.146 1.070 20 70 CDIDHN CCOCCC1(CNC(=O)NC[C@H]2CCCN2C)CC1 ZINC000159712916 363220578 /nfs/dbraw/zinc/22/05/78/363220578.db2.gz WJXLLSHWVVTBMO-CYBMUJFWSA-N 0 3 283.416 1.587 20 70 CDIDHN C[C@H](N)C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160124079 237168576 /nfs/dbraw/zinc/16/85/76/237168576.db2.gz GKKQEQBCEWMYDS-WFASDCNBSA-N 0 3 276.380 1.934 20 70 CDIDHN C[C@@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161082789 296013840 /nfs/dbraw/zinc/01/38/40/296013840.db2.gz LAUAIKCTWACRTE-RXMQYKEDSA-N 0 3 278.196 1.677 20 70 CDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NCC(=O)OC ZINC000160601770 364083647 /nfs/dbraw/zinc/08/36/47/364083647.db2.gz GODUSHDUIGWJJE-QWRGUYRKSA-N 0 3 258.362 1.032 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000159896814 364277812 /nfs/dbraw/zinc/27/78/12/364277812.db2.gz GQAGEWLPZGDASY-JQWIXIFHSA-N 0 3 263.341 1.113 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cc(F)ccc1F ZINC000160072387 364302074 /nfs/dbraw/zinc/30/20/74/364302074.db2.gz WEHSESLDBHKMEU-GFCCVEGCSA-N 0 3 298.333 1.541 20 70 CDIDHN CCC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160417650 364349655 /nfs/dbraw/zinc/34/96/55/364349655.db2.gz NWLRSHRRBNPHLC-NSHDSACASA-N 0 3 261.325 1.637 20 70 CDIDHN CCCS(=O)(=O)Nc1cccc(NC(=O)C(C)(C)N)c1 ZINC000161125325 364451986 /nfs/dbraw/zinc/45/19/86/364451986.db2.gz YLWMTXMGSNMUOT-UHFFFAOYSA-N 0 3 299.396 1.514 20 70 CDIDHN CC[C@@H](NCCN1C(=O)CNC1=O)c1ccc(F)cc1F ZINC000160916555 364426991 /nfs/dbraw/zinc/42/69/91/364426991.db2.gz KBBQRPFKYXNTME-GFCCVEGCSA-N 0 3 297.305 1.557 20 70 CDIDHN C[C@H](N)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449291 375369996 /nfs/dbraw/zinc/36/99/96/375369996.db2.gz LEJUYYHOICIBKF-JQWIXIFHSA-N 0 3 278.327 1.594 20 70 CDIDHN CSC[C@@](C)(O)CNCc1nn(C)c2ccccc12 ZINC000217849729 375748694 /nfs/dbraw/zinc/74/86/94/375748694.db2.gz RNCBMIFVVTUVDV-AWEZNQCLSA-N 0 3 279.409 1.777 20 70 CDIDHN COCCC1(CNC(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000161165060 390953823 /nfs/dbraw/zinc/95/38/23/390953823.db2.gz HGIGOPZRTFWRRN-CYBMUJFWSA-N 0 3 283.416 1.539 20 70 CDIDHN CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000218002361 140164853 /nfs/dbraw/zinc/16/48/53/140164853.db2.gz IXUJQEXEYUOCFL-STQMWFEESA-N 0 3 253.390 1.911 20 70 CDIDHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000161185916 264272123 /nfs/dbraw/zinc/27/21/23/264272123.db2.gz RFELXTNCKATBJX-HZMBPMFUSA-N 0 3 278.400 1.226 20 70 CDIDHN CCN(CC)CCNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000159587048 292762421 /nfs/dbraw/zinc/76/24/21/292762421.db2.gz LWNNRGFJNLZIHG-DGCLKSJQSA-N 0 3 254.374 1.450 20 70 CDIDHN CCCn1nccc1CNC1CCN(C(=O)C2CC2)CC1 ZINC000160083639 482780990 /nfs/dbraw/zinc/78/09/90/482780990.db2.gz BYTAOKMSCBDGMK-UHFFFAOYSA-N 0 3 290.411 1.784 20 70 CDIDHN CCCn1nccc1CN[C@@H](CO)Cc1ccccc1 ZINC000160144525 482786146 /nfs/dbraw/zinc/78/61/46/482786146.db2.gz WLPGMWZXUIKRBA-OAHLLOKOSA-N 0 3 273.380 1.986 20 70 CDIDHN CCOCCCN1CCC(c2nc(C)no2)CC1 ZINC000159496497 528659084 /nfs/dbraw/zinc/65/90/84/528659084.db2.gz SNVPZPHUYCYABF-UHFFFAOYSA-N 0 3 253.346 1.984 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)CCOC)CC1 ZINC000159792456 361852656 /nfs/dbraw/zinc/85/26/56/361852656.db2.gz LVSFYMHOUHHKPB-LBPRGKRZSA-N 0 3 257.378 1.149 20 70 CDIDHN CS(=O)(=O)CCCCN(C[C@H]1CCOC1)C1CC1 ZINC000161450234 539117785 /nfs/dbraw/zinc/11/77/85/539117785.db2.gz FOCZPTQFXYYZAR-GFCCVEGCSA-N 0 3 275.414 1.312 20 70 CDIDHN COc1ccc(OCCN2CC[C@H](O)[C@H](C)C2)cc1 ZINC000159427833 362320960 /nfs/dbraw/zinc/32/09/60/362320960.db2.gz JXECIMDCWLOIKI-DOMZBBRYSA-N 0 3 265.353 1.777 20 70 CDIDHN COc1cc(CNC[C@@]2(OC)CCOC2)cc(OC)c1O ZINC000160109257 362394919 /nfs/dbraw/zinc/39/49/19/362394919.db2.gz YDARPAPJKOMGII-HNNXBMFYSA-N 0 3 297.351 1.305 20 70 CDIDHN COC[C@H](Cc1ccccc1)NCC(=O)NC(C)C ZINC000160956637 188500203 /nfs/dbraw/zinc/50/02/03/188500203.db2.gz QDOYMKJLGFANKQ-AWEZNQCLSA-N 0 3 264.369 1.358 20 70 CDIDHN CCC[C@@H](N)C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159504114 364221884 /nfs/dbraw/zinc/22/18/84/364221884.db2.gz DWAGWBXQIDHJQU-LLVKDONJSA-N 0 3 259.313 1.538 20 70 CDIDHN NC(=O)c1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159626291 364242727 /nfs/dbraw/zinc/24/27/27/364242727.db2.gz CPCRYUINIJIZDV-ZNMIVQPWSA-N 0 3 286.375 1.833 20 70 CDIDHN CNCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000159801845 364266704 /nfs/dbraw/zinc/26/67/04/364266704.db2.gz ALSJLFAIXAMHBA-PWSUYJOCSA-N 0 3 250.317 1.750 20 70 CDIDHN CCn1nc(C)c(NC(=O)CNC[C@@H]2CCCO2)c1C ZINC000160321029 364334170 /nfs/dbraw/zinc/33/41/70/364334170.db2.gz KTUUJNBJJJGBQW-LBPRGKRZSA-N 0 3 280.372 1.227 20 70 CDIDHN CNC(=O)[C@@H](C)CN(C)CCC(=O)c1ccc(C)cc1 ZINC000159989246 364291402 /nfs/dbraw/zinc/29/14/02/364291402.db2.gz ZYSZURZCZBBECN-ZDUSSCGKSA-N 0 3 276.380 1.882 20 70 CDIDHN C[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)N(C)C1CC1 ZINC000161311759 369833116 /nfs/dbraw/zinc/83/31/16/369833116.db2.gz DTILDFHXBICGRB-RYUDHWBXSA-N 0 3 276.384 1.044 20 70 CDIDHN COCCNCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000161424921 372797687 /nfs/dbraw/zinc/79/76/87/372797687.db2.gz KMGOHHSVZAHXLW-DZGCQCFKSA-N 0 3 276.380 1.627 20 70 CDIDHN C[C@@H](CC(=O)N1CCC[C@@H]1CN)C(=O)c1cccc(F)c1 ZINC000160185432 377030669 /nfs/dbraw/zinc/03/06/69/377030669.db2.gz CDXWKRLYDBOGKT-SMDDNHRTSA-N 0 3 292.354 1.984 20 70 CDIDHN COc1csc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160380514 533166222 /nfs/dbraw/zinc/16/62/22/533166222.db2.gz DSIIYDLWKYSYFQ-LLVKDONJSA-N 0 3 298.408 1.333 20 70 CDIDHN CC[C@H](C(=O)N[C@@H]1COc2ccc(C)cc21)N(C)C ZINC000161150448 391582220 /nfs/dbraw/zinc/58/22/20/391582220.db2.gz PPVSEDGTMWKOTC-CHWSQXEVSA-N 0 3 262.353 1.885 20 70 CDIDHN CCc1ncnc(NC[C@H]2CCCN(C)C2)c1F ZINC000218011225 140165475 /nfs/dbraw/zinc/16/54/75/140165475.db2.gz DGOAWTDTZGDVOA-SNVBAGLBSA-N 0 3 252.337 1.932 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCc3c1cnn3C)CC2 ZINC000160563294 293543352 /nfs/dbraw/zinc/54/33/52/293543352.db2.gz FAXXFQHCOBIBQJ-AAEUAGOBSA-N 0 3 286.383 1.302 20 70 CDIDHN CCN1CCCC[C@H]1CN[C@@H](C)c1cnn(C)c1 ZINC000161182789 521602694 /nfs/dbraw/zinc/60/26/94/521602694.db2.gz GLFXKDPVFKWWRQ-JSGCOSHPSA-N 0 3 250.390 1.945 20 70 CDIDHN C[C@H](C(N)=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161239194 526192709 /nfs/dbraw/zinc/19/27/09/526192709.db2.gz NLJMDTXGPVAGHM-GFCCVEGCSA-N 0 3 286.379 1.815 20 70 CDIDHN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@]1(F)CCNC1 ZINC000160452469 527248981 /nfs/dbraw/zinc/24/89/81/527248981.db2.gz BDRXRVUZSLLWCS-HIFRSBDPSA-N 0 3 294.326 1.494 20 70 CDIDHN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@@]1(F)CCNC1 ZINC000160452850 527250523 /nfs/dbraw/zinc/25/05/23/527250523.db2.gz BDRXRVUZSLLWCS-DZGCQCFKSA-N 0 3 294.326 1.494 20 70 CDIDHN O=C(Cc1cccc(F)c1)NCC1CCN(CCO)CC1 ZINC000160552663 527263584 /nfs/dbraw/zinc/26/35/84/527263584.db2.gz RGXOQXOOHXNJMP-UHFFFAOYSA-N 0 3 294.370 1.189 20 70 CDIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cccc2c1OCO2 ZINC000159562294 361738269 /nfs/dbraw/zinc/73/82/69/361738269.db2.gz WLCTWUHNLXOBBX-JQWIXIFHSA-N 0 3 276.336 1.501 20 70 CDIDHN COC(=O)Cc1cccc(NC(=O)[C@@H](N)CCSC)c1 ZINC000159642695 361759726 /nfs/dbraw/zinc/75/97/26/361759726.db2.gz HLOMQKMVZDULKY-LBPRGKRZSA-N 0 3 296.392 1.421 20 70 CDIDHN C[C@@H]1CC(NC(=O)NC[C@@H]2CCCN(C)C2)C[C@@H](C)O1 ZINC000159788376 363306745 /nfs/dbraw/zinc/30/67/45/363306745.db2.gz ZXYONCPNHVMYMF-UPJWGTAASA-N 0 3 283.416 1.583 20 70 CDIDHN CCN1CCCN(C(=O)NCCc2cccnc2)CC1 ZINC000159587369 364238450 /nfs/dbraw/zinc/23/84/50/364238450.db2.gz CNVHYZKUHCHDCY-UHFFFAOYSA-N 0 3 276.384 1.361 20 70 CDIDHN COc1cccc(CNC(=O)[C@@H](C)N)c1OC1CCCC1 ZINC000159856634 364274523 /nfs/dbraw/zinc/27/45/23/364274523.db2.gz CSYIQBZXYWTBGP-LLVKDONJSA-N 0 3 292.379 1.980 20 70 CDIDHN C[C@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159702916 364253963 /nfs/dbraw/zinc/25/39/63/364253963.db2.gz MFACBDMRQPBSHQ-JTQLQIEISA-N 0 3 250.367 1.775 20 70 CDIDHN CC(=O)Nc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159764903 364262440 /nfs/dbraw/zinc/26/24/40/364262440.db2.gz HPZYFWAPCRAISO-UHFFFAOYSA-N 0 3 289.379 1.732 20 70 CDIDHN Cc1ccc(C[C@@H](C)NC(=O)CNC[C@H]2CCCO2)s1 ZINC000159793896 364265299 /nfs/dbraw/zinc/26/52/99/364265299.db2.gz KVFCFQXOWPYGHC-DGCLKSJQSA-N 0 3 296.436 1.872 20 70 CDIDHN CN(C(=O)C1CCN(C)CC1)c1ccc2c(c1)OCO2 ZINC000160372275 364342134 /nfs/dbraw/zinc/34/21/34/364342134.db2.gz HCSBGPAVLZYYLI-UHFFFAOYSA-N 0 3 276.336 1.720 20 70 CDIDHN O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCCCN1 ZINC000160412018 364349679 /nfs/dbraw/zinc/34/96/79/364349679.db2.gz SATHNXOWOGAFTP-LBPRGKRZSA-N 0 3 273.336 1.652 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000160554454 391542789 /nfs/dbraw/zinc/54/27/89/391542789.db2.gz PYTFGXDEPQTFMV-STQMWFEESA-N 0 3 284.400 1.709 20 70 CDIDHN COCCNCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000161424799 139913185 /nfs/dbraw/zinc/91/31/85/139913185.db2.gz KMGOHHSVZAHXLW-UKRRQHHQSA-N 0 3 276.380 1.627 20 70 CDIDHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000161178393 264272871 /nfs/dbraw/zinc/27/28/71/264272871.db2.gz CSXFDGMJRWDBLX-FRRDWIJNSA-N 0 3 270.417 1.927 20 70 CDIDHN C[C@@H](N)C(=O)N1CCc2ccc(Br)cc21 ZINC000159992622 274234021 /nfs/dbraw/zinc/23/40/21/274234021.db2.gz DSWMXIZJICHTCM-SSDOTTSWSA-N 0 3 269.142 1.685 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159835697 278223914 /nfs/dbraw/zinc/22/39/14/278223914.db2.gz XPRIDRFWKZHZEQ-OUJBWJOFSA-N 0 3 282.771 1.976 20 70 CDIDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](C)N ZINC000161056414 294474313 /nfs/dbraw/zinc/47/43/13/294474313.db2.gz VFGPOWJDADQTAY-SBMIAAHKSA-N 0 3 270.760 1.879 20 70 CDIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000160797521 529214073 /nfs/dbraw/zinc/21/40/73/529214073.db2.gz FWJJCVWQDZKSTI-IINYFYTJSA-N 0 3 289.379 1.627 20 70 CDIDHN COC[C@H](C)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000160175635 539115604 /nfs/dbraw/zinc/11/56/04/539115604.db2.gz QWMLDMHKMBELSD-AAEUAGOBSA-N 0 3 254.374 1.545 20 70 CDIDHN CC(C)C[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000159666397 363170857 /nfs/dbraw/zinc/17/08/57/363170857.db2.gz GBIQMRKJIFRJQF-LSDHHAIUSA-N 0 3 298.475 1.604 20 70 CDIDHN CN(CCNCc1ccnn1C)C(=O)OC(C)(C)C ZINC000218315428 361161482 /nfs/dbraw/zinc/16/14/82/361161482.db2.gz ODIMBZIXKNHHFW-UHFFFAOYSA-N 0 3 268.361 1.377 20 70 CDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NCCCOC ZINC000160534767 363978886 /nfs/dbraw/zinc/97/88/86/363978886.db2.gz IYBRGMFSQAHILI-STQMWFEESA-N 0 3 258.406 1.896 20 70 CDIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC[C@@H]1CCCO1 ZINC000160551106 363990789 /nfs/dbraw/zinc/99/07/89/363990789.db2.gz XOSVGMWIVAHOTH-IHRRRGAJSA-N 0 3 266.385 1.546 20 70 CDIDHN CCn1cc([C@H](C)NCCCN2CCCC2=O)cn1 ZINC000159469605 364213764 /nfs/dbraw/zinc/21/37/64/364213764.db2.gz YIIBDXUBGBYDOM-LBPRGKRZSA-N 0 3 264.373 1.566 20 70 CDIDHN CC[C@H](N)C(=O)NCCc1ccc(C)c(OC)c1 ZINC000160326809 364335920 /nfs/dbraw/zinc/33/59/20/364335920.db2.gz LTXBIFYNJCRHRA-LBPRGKRZSA-N 0 3 250.342 1.400 20 70 CDIDHN CC(=O)c1csc(C(=O)N2CCC[C@H]2CN)c1 ZINC000160147030 364311937 /nfs/dbraw/zinc/31/19/37/364311937.db2.gz QDXLGPIACOLSBP-JTQLQIEISA-N 0 3 252.339 1.514 20 70 CDIDHN COc1ccccc1CN(C)CCCN1CCN(C)CC1 ZINC000161279696 364473566 /nfs/dbraw/zinc/47/35/66/364473566.db2.gz DNHQLRYLQVCJEQ-UHFFFAOYSA-N 0 3 291.439 1.765 20 70 CDIDHN CO[C@H](CNC(=O)C1(N)CC1)c1cccc(Cl)c1 ZINC000161407459 364670260 /nfs/dbraw/zinc/67/02/60/364670260.db2.gz YUIYLUSNNHGLLH-LLVKDONJSA-N 0 3 268.744 1.635 20 70 CDIDHN C[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159744846 279392033 /nfs/dbraw/zinc/39/20/33/279392033.db2.gz HCZHZWYXDHZXTF-JOYOIKCWSA-N 0 3 295.770 1.251 20 70 CDIDHN CCOCCC1(CNC(=O)NC2CCN(CC)CC2)CC1 ZINC000159573726 292762383 /nfs/dbraw/zinc/76/23/83/292762383.db2.gz YUWAHGZZFSHNCX-UHFFFAOYSA-N 0 3 297.443 1.977 20 70 CDIDHN Nc1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000216624644 295355328 /nfs/dbraw/zinc/35/53/28/295355328.db2.gz HRWOWRPGYVSRRV-KBPBESRZSA-N 0 3 295.408 1.174 20 70 CDIDHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160144140 482786339 /nfs/dbraw/zinc/78/63/39/482786339.db2.gz TYEIIMFCZRDVCN-RTXFEEFZSA-N 0 3 252.358 1.012 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)CSC)CC1 ZINC000159883808 529029042 /nfs/dbraw/zinc/02/90/42/529029042.db2.gz MYNXJWWKXSUTEK-NSHDSACASA-N 0 3 259.419 1.475 20 70 CDIDHN CN(C)CCn1ccc(NC(=O)NC2CC=CC2)n1 ZINC000161377284 539117630 /nfs/dbraw/zinc/11/76/30/539117630.db2.gz VOOZKVZDFLXEMS-UHFFFAOYSA-N 0 3 263.345 1.285 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](COC)C(C)C)CC1 ZINC000159906905 342370919 /nfs/dbraw/zinc/37/09/19/342370919.db2.gz IUOQHPDRUWYMNG-CYBMUJFWSA-N 0 3 271.405 1.395 20 70 CDIDHN CN1CCC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000160995854 530062154 /nfs/dbraw/zinc/06/21/54/530062154.db2.gz GPDPXCGADVTHMN-HNNXBMFYSA-N 0 3 271.364 1.921 20 70 CDIDHN COC[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160666327 346190633 /nfs/dbraw/zinc/19/06/33/346190633.db2.gz HKTXQJANJGODLL-GJZGRUSLSA-N 0 3 295.427 1.539 20 70 CDIDHN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@H](C)N)cc1 ZINC000161099902 363263877 /nfs/dbraw/zinc/26/38/77/363263877.db2.gz IDBGWMBVYGWQFJ-NWANDNLSSA-N 0 3 276.380 1.926 20 70 CDIDHN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1CCCCN1 ZINC000161511040 188531801 /nfs/dbraw/zinc/53/18/01/188531801.db2.gz VUATXDIEBLPFPF-QEJZJMRPSA-N 0 3 276.380 1.757 20 70 CDIDHN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCNCC1 ZINC000160860877 361434292 /nfs/dbraw/zinc/43/42/92/361434292.db2.gz HMUTXLJERBDOIS-NEPJUHHUSA-N 0 3 280.318 1.890 20 70 CDIDHN COC(=O)CCCOc1ccc(NC(=O)[C@H](C)N)cc1 ZINC000159829324 364272221 /nfs/dbraw/zinc/27/22/21/364272221.db2.gz GKCOIKOBPZKCPT-JTQLQIEISA-N 0 3 280.324 1.304 20 70 CDIDHN Cc1nc(CC(=O)N(C)[C@@H]2CCCN(C)C2)c(C)s1 ZINC000159913695 364280444 /nfs/dbraw/zinc/28/04/44/364280444.db2.gz FNWYBJLXOYWZKT-GFCCVEGCSA-N 0 3 281.425 1.855 20 70 CDIDHN COc1cc(F)c([C@@H](C)NC(=O)[C@@H](C)N)cc1OC ZINC000159962969 364287392 /nfs/dbraw/zinc/28/73/92/364287392.db2.gz CEMLASOCGWZGNT-HTQZYQBOSA-N 0 3 270.304 1.367 20 70 CDIDHN O=C(CCNC(=O)[C@@H]1CCCCN1)Nc1ccccc1 ZINC000160022187 364295752 /nfs/dbraw/zinc/29/57/52/364295752.db2.gz SEWYPJIYVPUVAH-ZDUSSCGKSA-N 0 3 275.352 1.274 20 70 CDIDHN C[C@@H](CO)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160101145 364305573 /nfs/dbraw/zinc/30/55/73/364305573.db2.gz OOUWMJCXFGCSPU-YDHLFZDLSA-N 0 3 291.395 1.329 20 70 CDIDHN CCn1cc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cn1 ZINC000160461228 364355449 /nfs/dbraw/zinc/35/54/49/364355449.db2.gz POQYKISCLBYJRZ-MFKMUULPSA-N 0 3 274.372 1.469 20 70 CDIDHN COc1cc(C(=O)NCCC[NH+](C)C)cc(OC)c1[O-] ZINC000160751230 364406145 /nfs/dbraw/zinc/40/61/45/364406145.db2.gz MRGIUMZDJRPBGK-UHFFFAOYSA-N 0 3 282.340 1.091 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCc3c1cnn3C)CC2 ZINC000160562910 364373445 /nfs/dbraw/zinc/37/34/45/364373445.db2.gz FAXXFQHCOBIBQJ-DGCLKSJQSA-N 0 3 286.383 1.302 20 70 CDIDHN CCNc1nc(C(=O)NC2CCN(C3CC3)CC2)cs1 ZINC000161403819 364487761 /nfs/dbraw/zinc/48/77/61/364487761.db2.gz SYQLDSUBYJDRMM-UHFFFAOYSA-N 0 3 294.424 1.932 20 70 CDIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)N)[C@H](C)CO1 ZINC000161468230 373756312 /nfs/dbraw/zinc/75/63/12/373756312.db2.gz PLRGZSFEYXQAFO-YRGRVCCFSA-N 0 3 262.353 1.631 20 70 CDIDHN CSC[C@](C)(O)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000217644163 130761637 /nfs/dbraw/zinc/76/16/37/130761637.db2.gz WRBQDJBPOZBKOH-OAHLLOKOSA-N 0 3 296.436 1.592 20 70 CDIDHN C[C@@H](N)C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160124553 534286600 /nfs/dbraw/zinc/28/66/00/534286600.db2.gz GKKQEQBCEWMYDS-IUODEOHRSA-N 0 3 276.380 1.934 20 70 CDIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@@H](N)C(C)C)CCO1 ZINC000160843209 525442073 /nfs/dbraw/zinc/44/20/73/525442073.db2.gz IUOMYHDRTLHHKL-CABCVRRESA-N 0 3 276.380 1.878 20 70 CDIDHN OCC1(CNCc2cncc(Br)c2)CC1 ZINC000160591113 539116025 /nfs/dbraw/zinc/11/60/25/539116025.db2.gz ZHNQRPPIXBRYOQ-UHFFFAOYSA-N 0 3 271.158 1.706 20 70 CDIDHN CC(C)(CO)CNCc1cncc(Br)c1 ZINC000160590962 539116121 /nfs/dbraw/zinc/11/61/21/539116121.db2.gz ZLIKTKWUMGSPAC-UHFFFAOYSA-N 0 3 273.174 1.952 20 70 CDIDHN O=C(CN1CCN(c2ccncc2)CC1)Nc1ccccc1 ZINC000161397310 539117635 /nfs/dbraw/zinc/11/76/35/539117635.db2.gz ZZPHDZNCWKXQFJ-UHFFFAOYSA-N 0 3 296.374 1.842 20 70 CDIDHN O[C@@H](CNCc1cncc(Br)c1)C1CC1 ZINC000160576487 362449197 /nfs/dbraw/zinc/44/91/97/362449197.db2.gz KUJVCVMIKABFRX-NSHDSACASA-N 0 3 271.158 1.705 20 70 CDIDHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)CNC)ccc2NC1=O ZINC000161372101 362801218 /nfs/dbraw/zinc/80/12/18/362801218.db2.gz LHHOCDBMIKJSCL-CABZTGNLSA-N 0 3 291.351 1.193 20 70 CDIDHN CC(C)C[C@H](C)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000159666279 363170612 /nfs/dbraw/zinc/17/06/12/363170612.db2.gz GBIQMRKJIFRJQF-CABCVRRESA-N 0 3 298.475 1.604 20 70 CDIDHN O=C(Nc1cnn(CC(F)F)c1)[C@@H]1CCCCN1 ZINC000160989375 188501787 /nfs/dbraw/zinc/50/17/87/188501787.db2.gz KBCQNJXXRWIPHB-VIFPVBQESA-N 0 3 258.272 1.229 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161037649 188504743 /nfs/dbraw/zinc/50/47/43/188504743.db2.gz JUVNFOCDDFBVST-BPNCWPANSA-N 0 3 278.352 1.655 20 70 CDIDHN C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccsc1 ZINC000160566076 237182777 /nfs/dbraw/zinc/18/27/77/237182777.db2.gz WFVWEZARQWQMOD-GXTWGEPZSA-N 0 3 296.436 1.815 20 70 CDIDHN C[C@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160970498 360216648 /nfs/dbraw/zinc/21/66/48/360216648.db2.gz JGXWHRFIYUTEJO-GWCFXTLKSA-N 0 3 264.369 1.481 20 70 CDIDHN C[C@@H](N)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160967279 360216692 /nfs/dbraw/zinc/21/66/92/360216692.db2.gz DAMVGVJZAPECPS-LHLIQPBNSA-N 0 3 277.151 1.490 20 70 CDIDHN O=C(CNC[C@@H]1CCCO1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161065361 360756819 /nfs/dbraw/zinc/75/68/19/360756819.db2.gz PBSGEYXRGWSXID-ZNMIVQPWSA-N 0 3 280.412 1.840 20 70 CDIDHN CCO[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCC2 ZINC000160993871 361026569 /nfs/dbraw/zinc/02/65/69/361026569.db2.gz VQAYRFDHCQUDCS-SDDRHHMPSA-N 0 3 268.401 1.824 20 70 CDIDHN CNC(=O)CC1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000161401400 364147444 /nfs/dbraw/zinc/14/74/44/364147444.db2.gz KIPNBKZHASLFTM-UHFFFAOYSA-N 0 3 281.400 1.023 20 70 CDIDHN CC[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159397111 364199331 /nfs/dbraw/zinc/19/93/31/364199331.db2.gz YXFUXDKRRBBXSO-WDEREUQCSA-N 0 3 295.770 1.299 20 70 CDIDHN C[C@@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000159650650 364247223 /nfs/dbraw/zinc/24/72/23/364247223.db2.gz FQCOLUXLUYDTAZ-MRVPVSSYSA-N 0 3 294.742 1.396 20 70 CDIDHN O=C(c1cc(F)cc2nccnc21)N1CCCNCC1 ZINC000160845040 364419173 /nfs/dbraw/zinc/41/91/73/364419173.db2.gz AAXKBEBPEFVGTM-UHFFFAOYSA-N 0 3 274.299 1.204 20 70 CDIDHN CC[C@H](C(=O)NCc1ccc(C)c(OC)c1)N(C)C ZINC000161497277 364502262 /nfs/dbraw/zinc/50/22/62/364502262.db2.gz LYUIGYJTWQXECD-CYBMUJFWSA-N 0 3 264.369 1.960 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161504087 375649164 /nfs/dbraw/zinc/64/91/64/375649164.db2.gz CSZZAHBVFZQOFB-JOYOIKCWSA-N 0 3 250.298 1.140 20 70 CDIDHN N[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccsc1 ZINC000161500169 375642969 /nfs/dbraw/zinc/64/29/69/375642969.db2.gz SOANYCCVZGRRFJ-ZIAGYGMSSA-N 0 3 290.388 1.468 20 70 CDIDHN C[C@@]1(O)CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000160092759 375691894 /nfs/dbraw/zinc/69/18/94/375691894.db2.gz TZDLRTVKRMXBSN-OAHLLOKOSA-N 0 3 281.400 1.170 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000160686069 377101313 /nfs/dbraw/zinc/10/13/13/377101313.db2.gz CWACESWXCYXBKQ-UHFFFAOYSA-N 0 3 280.343 1.260 20 70 CDIDHN COc1ccc2nc(C(=O)N3CCCNCC3)ccc2c1 ZINC000160851908 533342028 /nfs/dbraw/zinc/34/20/28/533342028.db2.gz CNYPKHICKKFGKX-UHFFFAOYSA-N 0 3 285.347 1.679 20 70 CDIDHN CS[C@@H]1CCC[C@@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000159578077 361742166 /nfs/dbraw/zinc/74/21/66/361742166.db2.gz SMTMZFAWJXGJGB-FOGDFJRCSA-N 0 3 260.378 1.478 20 70 CDIDHN Cc1nnc(CN2CCN(c3ccncc3)CC2)o1 ZINC000161354100 539117510 /nfs/dbraw/zinc/11/75/10/539117510.db2.gz NTBONCUBEGJMNU-UHFFFAOYSA-N 0 3 259.313 1.095 20 70 CDIDHN C[C@H](C(=O)N1CCCCC1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159621137 363059243 /nfs/dbraw/zinc/05/92/43/363059243.db2.gz XESYUMXVVAUXEG-RDBSUJKOSA-N 0 3 268.401 1.480 20 70 CDIDHN CCOC(=O)N(C)C1CCN(CCOCC2CC2)CC1 ZINC000160318265 363814207 /nfs/dbraw/zinc/81/42/07/363814207.db2.gz DNIBIFAFAWOANE-UHFFFAOYSA-N 0 3 284.400 1.966 20 70 CDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NCC(=O)OC ZINC000160601658 364079190 /nfs/dbraw/zinc/07/91/90/364079190.db2.gz GODUSHDUIGWJJE-MNOVXSKESA-N 0 3 258.362 1.032 20 70 CDIDHN CC[C@H](N)C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000161062083 364443203 /nfs/dbraw/zinc/44/32/03/364443203.db2.gz WPZJREINUAMRRE-JTQLQIEISA-N 0 3 270.716 1.802 20 70 CDIDHN COCCNCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000161425180 372797472 /nfs/dbraw/zinc/79/74/72/372797472.db2.gz KMGOHHSVZAHXLW-ZFWWWQNUSA-N 0 3 276.380 1.627 20 70 CDIDHN CC(C)n1nccc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000161338173 377590301 /nfs/dbraw/zinc/59/03/01/377590301.db2.gz IAOBZLYDUXCPII-ZDUSSCGKSA-N 0 3 276.384 1.774 20 70 CDIDHN CN(C[C@@H]1CCCN1C)C(=O)NCC(F)(F)F ZINC000160668616 391562134 /nfs/dbraw/zinc/56/21/34/391562134.db2.gz IEOZRJJIWLWSSN-QMMMGPOBSA-N 0 3 253.268 1.284 20 70 CDIDHN CC(C)(O)CN1CCN(C[C@H]2CCC(C)(C)O2)CC1 ZINC000160834712 392516059 /nfs/dbraw/zinc/51/60/59/392516059.db2.gz KIUKUAKEIGRCLQ-CYBMUJFWSA-N 0 3 270.417 1.333 20 70 CDIDHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000161178022 264272902 /nfs/dbraw/zinc/27/29/02/264272902.db2.gz CSXFDGMJRWDBLX-AVGNSLFASA-N 0 3 270.417 1.927 20 70 CDIDHN COC(C)(C)CNC(=O)c1cccc2c1CCNC2 ZINC000160391308 482797780 /nfs/dbraw/zinc/79/77/80/482797780.db2.gz BHKVOMVZMQITKI-UHFFFAOYSA-N 0 3 262.353 1.487 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000160414204 520880591 /nfs/dbraw/zinc/88/05/91/520880591.db2.gz VCHSOQSFLUJAPC-LBPRGKRZSA-N 0 3 292.379 1.820 20 70 CDIDHN CC[C@@H](C(=O)N[C@H]1COc2ccc(C)cc21)N(C)C ZINC000161150578 521862623 /nfs/dbraw/zinc/86/26/23/521862623.db2.gz PPVSEDGTMWKOTC-STQMWFEESA-N 0 3 262.353 1.885 20 70 CDIDHN Cc1cccc(C(=O)NCCN2CCCC2)c1F ZINC000161419369 524192640 /nfs/dbraw/zinc/19/26/40/524192640.db2.gz XNCMMCABVILSJO-UHFFFAOYSA-N 0 3 250.317 1.960 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)CSC)CC1 ZINC000159883960 529030709 /nfs/dbraw/zinc/03/07/09/529030709.db2.gz MYNXJWWKXSUTEK-LLVKDONJSA-N 0 3 259.419 1.475 20 70 CDIDHN CCN1CCCN(C(=O)NCCCCCOC)CC1 ZINC000159779895 361844044 /nfs/dbraw/zinc/84/40/44/361844044.db2.gz OANYTVPNYHYNED-UHFFFAOYSA-N 0 3 271.405 1.540 20 70 CDIDHN CC[C@H](N)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160143389 362037940 /nfs/dbraw/zinc/03/79/40/362037940.db2.gz OOCHMQSYLWECRF-STQMWFEESA-N 0 3 275.352 1.036 20 70 CDIDHN CC[C@@H](COC)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000159448547 344957225 /nfs/dbraw/zinc/95/72/25/344957225.db2.gz ASXQTBUOJVGLJM-NEPJUHHUSA-N 0 3 257.378 1.052 20 70 CDIDHN CCC[C@H](N)C(=O)NCCCOc1cccc(OC)c1 ZINC000161360604 362794734 /nfs/dbraw/zinc/79/47/34/362794734.db2.gz PIOJRVDOYOLOFM-AWEZNQCLSA-N 0 3 280.368 1.708 20 70 CDIDHN COCCN(C)CCCNC(=O)NCC1(C2CC2)CCC1 ZINC000159636133 363090972 /nfs/dbraw/zinc/09/09/72/363090972.db2.gz QTPJKWYNUFCWSG-UHFFFAOYSA-N 0 3 297.443 1.834 20 70 CDIDHN COc1cc(OC)nc(NC[C@@H]2CCN(C3CC3)C2)n1 ZINC000159772149 363294608 /nfs/dbraw/zinc/29/46/08/363294608.db2.gz JYWBNHRLCXZHQF-JTQLQIEISA-N 0 3 278.356 1.390 20 70 CDIDHN CN1CCC[C@H](CNC(=O)NCc2ncccc2F)C1 ZINC000159806240 363329669 /nfs/dbraw/zinc/32/96/69/363329669.db2.gz GKCCBXGMWCNGGL-LLVKDONJSA-N 0 3 280.347 1.362 20 70 CDIDHN Cc1c(CNC[C@@H](O)c2cccc(F)c2)cnn1C ZINC000161055818 360708707 /nfs/dbraw/zinc/70/87/07/360708707.db2.gz RBDNPFNCAOBTLE-CQSZACIVSA-N 0 3 263.316 1.691 20 70 CDIDHN C[C@@H](N)C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000159537664 361732319 /nfs/dbraw/zinc/73/23/19/361732319.db2.gz LNNOFFSTWRFZCP-GFCCVEGCSA-N 0 3 292.379 1.346 20 70 CDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000160548446 363985229 /nfs/dbraw/zinc/98/52/29/363985229.db2.gz FXRSMWZKBRUIDR-KBPBESRZSA-N 0 3 297.443 1.434 20 70 CDIDHN C[C@H](CCO)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000159591317 364238222 /nfs/dbraw/zinc/23/82/22/364238222.db2.gz CBHUMMHBHVZACZ-ZIAGYGMSSA-N 0 3 293.411 1.577 20 70 CDIDHN CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000159897426 364279470 /nfs/dbraw/zinc/27/94/70/364279470.db2.gz XEMZEXPIZQWOCO-JQWIXIFHSA-N 0 3 295.408 1.210 20 70 CDIDHN CNC(=O)[C@H](C)CN(C)CCC(=O)c1ccc(C)cc1 ZINC000159989118 364290418 /nfs/dbraw/zinc/29/04/18/364290418.db2.gz ZYSZURZCZBBECN-CYBMUJFWSA-N 0 3 276.380 1.882 20 70 CDIDHN CCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000160147197 364312098 /nfs/dbraw/zinc/31/20/98/364312098.db2.gz OBDRIADKTZSNRN-RYUDHWBXSA-N 0 3 272.389 1.596 20 70 CDIDHN CCCN(CCO)Cc1cc(OC)c(OC)c(OC)c1 ZINC000161226379 364466409 /nfs/dbraw/zinc/46/64/09/364466409.db2.gz GCSSFZBOEAQJTF-UHFFFAOYSA-N 0 3 283.368 1.917 20 70 CDIDHN Cc1cccc(C(=O)NC[C@H]2CCN(C)C2)c1F ZINC000161484960 364501882 /nfs/dbraw/zinc/50/18/82/364501882.db2.gz CBUPHVJIFDTCTD-LLVKDONJSA-N 0 3 250.317 1.816 20 70 CDIDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)s1 ZINC000160669164 364705827 /nfs/dbraw/zinc/70/58/27/364705827.db2.gz BWQKVDZHLUBBGO-CYBMUJFWSA-N 0 3 296.436 1.942 20 70 CDIDHN COCCNCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000159896569 277533642 /nfs/dbraw/zinc/53/36/42/277533642.db2.gz YCXYWZDQKPABCU-HUUCEWRRSA-N 0 3 290.407 1.935 20 70 CDIDHN CC1(C)C[C@H](NCC(=O)NCC(F)(F)F)C(C)(C)O1 ZINC000160608270 292791464 /nfs/dbraw/zinc/79/14/64/292791464.db2.gz AYYREDSFCHZKTO-QMMMGPOBSA-N 0 3 282.306 1.601 20 70 CDIDHN CCCN1CCCN(C(=O)CCCOCC)CC1 ZINC000160395143 519848925 /nfs/dbraw/zinc/84/89/25/519848925.db2.gz YHNOFRVWFXXPNL-UHFFFAOYSA-N 0 3 256.390 1.747 20 70 CDIDHN Cc1[nH]c(=O)ccc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000161044610 534508532 /nfs/dbraw/zinc/50/85/32/534508532.db2.gz NIMFQVZOOKPWSM-UHFFFAOYSA-N 0 3 289.339 1.106 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000160812765 520874413 /nfs/dbraw/zinc/87/44/13/520874413.db2.gz XIIILFIFEFDKGP-CMPLNLGQSA-N 0 3 258.362 1.031 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000160833577 520880503 /nfs/dbraw/zinc/88/05/03/520880503.db2.gz XXVNKTXLEWRIGT-LBPRGKRZSA-N 0 3 292.379 1.820 20 70 CDIDHN CCN1CCCC[C@@H]1CN[C@@H](C)c1cnn(C)c1 ZINC000161182670 521597368 /nfs/dbraw/zinc/59/73/68/521597368.db2.gz GLFXKDPVFKWWRQ-GXTWGEPZSA-N 0 3 250.390 1.945 20 70 CDIDHN C[C@@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159590550 361738329 /nfs/dbraw/zinc/73/83/29/361738329.db2.gz HPFIEPQMFXAZDG-MNOVXSKESA-N 0 3 258.325 1.397 20 70 CDIDHN C[C@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000159568528 361738920 /nfs/dbraw/zinc/73/89/20/361738920.db2.gz YVPZWAXBAPRYAO-JTQLQIEISA-N 0 3 250.317 1.879 20 70 CDIDHN CSCC[C@@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000159669277 361768325 /nfs/dbraw/zinc/76/83/25/361768325.db2.gz FISWMBJZDIPWOT-GFCCVEGCSA-N 0 3 288.363 1.704 20 70 CDIDHN CSCC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159734287 361819000 /nfs/dbraw/zinc/81/90/00/361819000.db2.gz YGDRHJLVVYCDIW-TZMCWYRMSA-N 0 3 278.421 1.913 20 70 CDIDHN COc1cccc(O[C@H](C)CNC(=O)[C@@H](N)CC(C)C)c1 ZINC000161126925 361876763 /nfs/dbraw/zinc/87/67/63/361876763.db2.gz GVQOZBHQUWIXED-DOMZBBRYSA-N 0 3 294.395 1.952 20 70 CDIDHN COC1(CNC(=O)[C@H](C)N2CCCCCC2)CCOCC1 ZINC000159406149 539114115 /nfs/dbraw/zinc/11/41/15/539114115.db2.gz PQKWPZHWFVWBFO-AWEZNQCLSA-N 0 3 298.427 1.563 20 70 CDIDHN C[C@H]1CC[C@@H](C(=O)NCc2ccc(CN(C)C)cc2)O1 ZINC000159559941 362329240 /nfs/dbraw/zinc/32/92/40/362329240.db2.gz FWNBIHRQTWTUGR-WFASDCNBSA-N 0 3 276.380 1.932 20 70 CDIDHN CCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000160711770 346220084 /nfs/dbraw/zinc/22/00/84/346220084.db2.gz QBRQJRHKWXMZRP-CYBMUJFWSA-N 0 3 253.390 1.911 20 70 CDIDHN C[C@H](N)C(=O)NCCCc1cccc(Br)c1 ZINC000159519576 482681728 /nfs/dbraw/zinc/68/17/28/482681728.db2.gz IGWRBNUZXBTNPB-VIFPVBQESA-N 0 3 285.185 1.845 20 70 CDIDHN CC[C@H](N)C(=O)N(CCOC)CCOc1ccc(F)cc1 ZINC000159402561 358479578 /nfs/dbraw/zinc/47/95/78/358479578.db2.gz LVVSOSCQJBWESO-AWEZNQCLSA-N 0 3 298.358 1.417 20 70 CDIDHN CCCCN(C)CCNC(=O)NC[C@@H](C)SC ZINC000159838253 363367410 /nfs/dbraw/zinc/36/74/10/363367410.db2.gz XBVCQYHPMZZYLC-LLVKDONJSA-N 0 3 261.435 1.769 20 70 CDIDHN Cc1cccc(O[C@H](C)CNC(=O)[C@]2(F)CCNC2)c1 ZINC000161169500 358789523 /nfs/dbraw/zinc/78/95/23/358789523.db2.gz ZYELEWUBVJPSET-DOMZBBRYSA-N 0 3 280.343 1.580 20 70 CDIDHN O=C(c1cnc(-c2ccccn2)s1)N1CCCNCC1 ZINC000160858867 361439432 /nfs/dbraw/zinc/43/94/32/361439432.db2.gz HHASCNMQLVIFOC-UHFFFAOYSA-N 0 3 288.376 1.641 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)NC1CCN(C2CC2)CC1 ZINC000159370850 361672206 /nfs/dbraw/zinc/67/22/06/361672206.db2.gz MZCALTOBCULQRN-UHFFFAOYSA-N 0 3 295.427 1.282 20 70 CDIDHN COC(=O)c1ccc(NC(=O)C2(N)CC2)cc1Cl ZINC000159463002 364212127 /nfs/dbraw/zinc/21/21/27/364212127.db2.gz SOXWIXXYABKAJY-UHFFFAOYSA-N 0 3 268.700 1.556 20 70 CDIDHN CC(C)(CNC(=O)C[C@@H]1CNCCO1)Cc1ccccc1 ZINC000159488410 364217477 /nfs/dbraw/zinc/21/74/77/364217477.db2.gz GYEJFJBPTQECOT-OAHLLOKOSA-N 0 3 290.407 1.750 20 70 CDIDHN CCN1CCCN(C(=O)NCCc2c(C)noc2C)CC1 ZINC000159832581 364272202 /nfs/dbraw/zinc/27/22/02/364272202.db2.gz BZYBPWRLISWHIF-UHFFFAOYSA-N 0 3 294.399 1.571 20 70 CDIDHN CCOc1cc(CCCNC(=O)CN)ccc1OC ZINC000160062789 364300286 /nfs/dbraw/zinc/30/02/86/364300286.db2.gz BZFRLFWFWYAAMT-UHFFFAOYSA-N 0 3 266.341 1.101 20 70 CDIDHN CCCN(CCO)Cc1ccccc1OCCOC ZINC000161225011 364465269 /nfs/dbraw/zinc/46/52/69/364465269.db2.gz IXIYOIWXDCWZNT-UHFFFAOYSA-N 0 3 267.369 1.916 20 70 CDIDHN CN(CC1CCN(C)CC1)C(=O)[C@H]1CCn2ccnc2C1 ZINC000161407907 377618416 /nfs/dbraw/zinc/61/84/16/377618416.db2.gz XWGQKLSKZRRCTA-AWEZNQCLSA-N 0 3 290.411 1.246 20 70 CDIDHN CCOC(=O)CCCN1CCC(CN2CCOCC2)CC1 ZINC000160969915 520637937 /nfs/dbraw/zinc/63/79/37/520637937.db2.gz VPHSZNRTWQXRBO-UHFFFAOYSA-N 0 3 298.427 1.374 20 70 CDIDHN Cc1ccc(C(=O)CCN(CCO)CCCO)cc1 ZINC000159609766 362350259 /nfs/dbraw/zinc/35/02/59/362350259.db2.gz NXJMMZQEVVDPME-UHFFFAOYSA-N 0 3 265.353 1.245 20 70 CDIDHN CCN1CCC(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000159709580 363213861 /nfs/dbraw/zinc/21/38/61/363213861.db2.gz PCZJBDSBFNDELH-VXGBXAGGSA-N 0 3 283.416 1.726 20 70 CDIDHN CCN1CCCN(C(=O)NCCCOCC(C)C)CC1 ZINC000159559385 361730659 /nfs/dbraw/zinc/73/06/59/361730659.db2.gz IGEIKAVCMJLCNG-UHFFFAOYSA-N 0 3 285.432 1.786 20 70 CDIDHN CC[C@@H](C(=O)NCCOc1ncccc1Cl)N(C)C ZINC000159390118 364197526 /nfs/dbraw/zinc/19/75/26/364197526.db2.gz AZFNENBYFBLDBY-NSHDSACASA-N 0 3 285.775 1.570 20 70 CDIDHN C[C@H](N)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159657784 364247872 /nfs/dbraw/zinc/24/78/72/364247872.db2.gz QDHJIEDYNJGAKS-ZDUSSCGKSA-N 0 3 276.380 1.789 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)c2ccccn2)CC1 ZINC000159528961 364227803 /nfs/dbraw/zinc/22/78/03/364227803.db2.gz DVZGBDWXAWBYFZ-CYBMUJFWSA-N 0 3 276.384 1.880 20 70 CDIDHN CC[C@@H](C(=O)NC[C@H](O)c1cccc(F)c1)N(C)C ZINC000160331923 364336450 /nfs/dbraw/zinc/33/64/50/364336450.db2.gz OLPZTMULTHUEHH-STQMWFEESA-N 0 3 268.332 1.316 20 70 CDIDHN CCN1CCCN(C(=O)NCCn2cccc2)CC1 ZINC000159959454 364285945 /nfs/dbraw/zinc/28/59/45/364285945.db2.gz NIYLASZEFFFJDD-UHFFFAOYSA-N 0 3 264.373 1.225 20 70 CDIDHN O=C(COc1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160201473 364318006 /nfs/dbraw/zinc/31/80/06/364318006.db2.gz OPDAHQOUHPMCAK-CQSZACIVSA-N 0 3 292.379 1.028 20 70 CDIDHN Cc1ccc(/C=C/C(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160605337 364381127 /nfs/dbraw/zinc/38/11/27/364381127.db2.gz SQAFRBMBSKZKMK-HSBSLETESA-N 0 3 292.379 1.564 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1cc(F)cc(F)c1 ZINC000160633848 377098843 /nfs/dbraw/zinc/09/88/43/377098843.db2.gz HGCORMLLVFNIIC-UHFFFAOYSA-N 0 3 298.333 1.399 20 70 CDIDHN CNS(=O)(=O)c1ccc([C@H](C)NCC(C)(C)O)cc1 ZINC000160654387 377100101 /nfs/dbraw/zinc/10/01/01/377100101.db2.gz FAWBCQUJASRVMO-JTQLQIEISA-N 0 3 286.397 1.016 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1ccc(F)cc1F ZINC000160631151 377100159 /nfs/dbraw/zinc/10/01/59/377100159.db2.gz QWFATUPKPOPJSB-UHFFFAOYSA-N 0 3 298.333 1.399 20 70 CDIDHN Cc1nc(C)c(C(=O)N2C[C@@H](N)Cc3ccccc32)o1 ZINC000159575176 274837334 /nfs/dbraw/zinc/83/73/34/274837334.db2.gz BGCDIHSIJJPUIJ-LBPRGKRZSA-N 0 3 271.320 1.822 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000160003228 276366798 /nfs/dbraw/zinc/36/67/98/276366798.db2.gz OFAQHUWDESKNRA-CYBMUJFWSA-N 0 3 291.399 1.004 20 70 CDIDHN O=C(/C=C/c1ccco1)NC[C@@H](O)CN1CCCCC1 ZINC000160462319 295396287 /nfs/dbraw/zinc/39/62/87/295396287.db2.gz JKNPUROUPRNXAC-KTRBRXNASA-N 0 3 278.352 1.256 20 70 CDIDHN COC[C@@H](NC(=O)[C@H](C)N)c1cccc(C(F)(F)F)c1 ZINC000161144021 482864495 /nfs/dbraw/zinc/86/44/95/482864495.db2.gz VSZRJYWMTMKOJR-GZMMTYOYSA-N 0 3 290.285 1.856 20 70 CDIDHN CSCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159728060 361814444 /nfs/dbraw/zinc/81/44/44/361814444.db2.gz YGDRHJLVVYCDIW-JSGCOSHPSA-N 0 3 278.421 1.913 20 70 CDIDHN C[C@H](O)CN(C)CCN(C)Cc1ccc(F)cc1 ZINC000159807780 361870743 /nfs/dbraw/zinc/87/07/43/361870743.db2.gz QVDFSAQYHZBMTA-LBPRGKRZSA-N 0 3 254.349 1.570 20 70 CDIDHN CCSCCN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159396680 362318155 /nfs/dbraw/zinc/31/81/55/362318155.db2.gz VKSJXYREAQSKJX-GFCCVEGCSA-N 0 3 294.486 1.533 20 70 CDIDHN C[C@H](C(=O)N1CCCCCC1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159623061 363071921 /nfs/dbraw/zinc/07/19/21/363071921.db2.gz MDGIWGCWHAUCOX-ILXRZTDVSA-N 0 3 282.428 1.870 20 70 CDIDHN CN1CCC[C@@H]1CNC(=O)NCC1(C2CC2)CC1 ZINC000159719004 363214757 /nfs/dbraw/zinc/21/47/57/363214757.db2.gz AEFXFYTYYZAYLK-GFCCVEGCSA-N 0 3 251.374 1.570 20 70 CDIDHN C[C@H]1C[C@@H](NC(=O)N(C)CC2CCOCC2)CN1C1CC1 ZINC000159855982 363381202 /nfs/dbraw/zinc/38/12/02/363381202.db2.gz NMFUNRDMWJLECS-GXTWGEPZSA-N 0 3 295.427 1.680 20 70 CDIDHN Cc1cccc([C@@H](C)CNC(=O)CNC[C@H]2CCCO2)c1 ZINC000160734101 237184745 /nfs/dbraw/zinc/18/47/45/237184745.db2.gz PGGSTILTUCVSLI-GOEBONIOSA-N 0 3 290.407 1.983 20 70 CDIDHN Cc1cc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)[nH]1 ZINC000159906219 237158573 /nfs/dbraw/zinc/15/85/73/237158573.db2.gz ULFLYWVYRHYKFE-CYBMUJFWSA-N 0 3 279.384 1.208 20 70 CDIDHN C[C@@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160971413 360462063 /nfs/dbraw/zinc/46/20/63/360462063.db2.gz JGXWHRFIYUTEJO-ZWNOBZJWSA-N 0 3 264.369 1.481 20 70 CDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NCCCOC ZINC000160534673 363978176 /nfs/dbraw/zinc/97/81/76/363978176.db2.gz IYBRGMFSQAHILI-OLZOCXBDSA-N 0 3 258.406 1.896 20 70 CDIDHN CNC(=O)NC(=O)CCN(C)Cc1cccc(N(C)C)c1 ZINC000159821375 364270155 /nfs/dbraw/zinc/27/01/55/364270155.db2.gz LIYWEWSSZOKCJG-UHFFFAOYSA-N 0 3 292.383 1.030 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCCC(=O)Nc1ccccc1 ZINC000160023389 364296074 /nfs/dbraw/zinc/29/60/74/364296074.db2.gz ICHYMBMVBVCHGZ-ZDUSSCGKSA-N 0 3 263.341 1.115 20 70 CDIDHN Cc1ccc(CN(C)CCCN2CCN(C)CC2)o1 ZINC000161289526 364474341 /nfs/dbraw/zinc/47/43/41/364474341.db2.gz XUQOSPHXEZHMDL-UHFFFAOYSA-N 0 3 265.401 1.657 20 70 CDIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc3nncn3c2)C1 ZINC000161284645 364475115 /nfs/dbraw/zinc/47/51/15/364475115.db2.gz ZKTCLLZIPKBTMX-YPMHNXCESA-N 0 3 287.367 1.188 20 70 CDIDHN Cc1nc(C2(NCc3cn[nH]c3C)CCCC2)no1 ZINC000161375329 364485732 /nfs/dbraw/zinc/48/57/32/364485732.db2.gz ZJXOXKWHFYEASW-UHFFFAOYSA-N 0 3 261.329 1.969 20 70 CDIDHN Cc1cccc(C(=O)NC[C@@H]2CCN(C)C2)c1F ZINC000161484837 364501917 /nfs/dbraw/zinc/50/19/17/364501917.db2.gz CBUPHVJIFDTCTD-NSHDSACASA-N 0 3 250.317 1.816 20 70 CDIDHN CC[C@H](O)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161263610 377531679 /nfs/dbraw/zinc/53/16/79/377531679.db2.gz ZVGNILIVQRDXDI-UWVGGRQHSA-N 0 3 255.280 1.393 20 70 CDIDHN CCCn1nccc1CN[C@H](C)CN1CCOCC1 ZINC000160009747 482775369 /nfs/dbraw/zinc/77/53/69/482775369.db2.gz HIBGIBMQWRIMBM-CYBMUJFWSA-N 0 3 266.389 1.103 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160351636 519645502 /nfs/dbraw/zinc/64/55/02/519645502.db2.gz WEXQRJGMJHSIDP-LSDHHAIUSA-N 0 3 297.443 1.926 20 70 CDIDHN CSCC[C@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161191728 361911662 /nfs/dbraw/zinc/91/16/62/361911662.db2.gz MFDZUGZHJFVLNV-QMMMGPOBSA-N 0 3 296.318 1.464 20 70 CDIDHN CCC[C@@H]1C[C@H]1NC(=O)N1CCCN(CC)CC1 ZINC000159933613 361952876 /nfs/dbraw/zinc/95/28/76/361952876.db2.gz SIBJUBWNOAJQNY-CHWSQXEVSA-N 0 3 253.390 1.912 20 70 CDIDHN C[C@H](N[C@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159907161 362562085 /nfs/dbraw/zinc/56/20/85/362562085.db2.gz BINCEBUILQEVMR-FZMZJTMJSA-N 0 3 285.351 1.149 20 70 CDIDHN Cc1ccccc1[C@@H](O)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000159842304 188443653 /nfs/dbraw/zinc/44/36/53/188443653.db2.gz ZHBOOYKBULZAGF-IRXDYDNUSA-N 0 3 298.386 1.715 20 70 CDIDHN CC1(O)CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000161207400 188514422 /nfs/dbraw/zinc/51/44/22/188514422.db2.gz IVCMLTNOLKZGRV-UHFFFAOYSA-N 0 3 295.358 1.583 20 70 CDIDHN NC(=O)CC[C@H]1CCCN(CCOCC2CC2)C1 ZINC000160328156 357611009 /nfs/dbraw/zinc/61/10/09/357611009.db2.gz GQVYSOFWROZGHC-GFCCVEGCSA-N 0 3 254.374 1.391 20 70 CDIDHN Cc1cccc([C@H](C)CNC(=O)CNC[C@H]2CCCO2)c1 ZINC000160734219 237186520 /nfs/dbraw/zinc/18/65/20/237186520.db2.gz PGGSTILTUCVSLI-GDBMZVCRSA-N 0 3 290.407 1.983 20 70 CDIDHN CN1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160245571 360998887 /nfs/dbraw/zinc/99/88/87/360998887.db2.gz ULJMAPMKEDGCEE-LBPRGKRZSA-N 0 3 295.408 1.819 20 70 CDIDHN CCCO[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000159472300 361709364 /nfs/dbraw/zinc/70/93/64/361709364.db2.gz CJBHXYIDYLGSMM-STQMWFEESA-N 0 3 256.390 1.777 20 70 CDIDHN CC[C@@H](C(=O)NCCOc1ccc(Cl)cn1)N(C)C ZINC000159394492 364198420 /nfs/dbraw/zinc/19/84/20/364198420.db2.gz KQOTVQHQBPHZCH-NSHDSACASA-N 0 3 285.775 1.570 20 70 CDIDHN CCc1nc(CN(C)CCCn2ccnc2C)n[nH]1 ZINC000159428803 364204852 /nfs/dbraw/zinc/20/48/52/364204852.db2.gz KUQZAECLWOBQIE-UHFFFAOYSA-N 0 3 262.361 1.394 20 70 CDIDHN Cc1cc(F)ccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160283119 364329013 /nfs/dbraw/zinc/32/90/13/364329013.db2.gz UBOAHHWUXWNEIY-CQSZACIVSA-N 0 3 294.370 1.711 20 70 CDIDHN CSCC[C@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160645078 364388388 /nfs/dbraw/zinc/38/83/88/364388388.db2.gz VJTZEQJRIQDGKC-VIFPVBQESA-N 0 3 285.413 1.669 20 70 CDIDHN CSCC[C@@H](N)C(=O)Nc1ncc(C(C)=O)s1 ZINC000161087727 364446869 /nfs/dbraw/zinc/44/68/69/364446869.db2.gz JRIAEANLJKXEKR-SSDOTTSWSA-N 0 3 273.383 1.365 20 70 CDIDHN CCC(C)(C)C(=O)NCC1CCN(CCO)CC1 ZINC000160566456 377087738 /nfs/dbraw/zinc/08/77/38/377087738.db2.gz XYGSOSZDJLTBRJ-UHFFFAOYSA-N 0 3 256.390 1.243 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1N ZINC000160723122 482820383 /nfs/dbraw/zinc/82/03/83/482820383.db2.gz LKDPJCCVGURGFI-GFCCVEGCSA-N 0 3 261.369 1.791 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N1CCSC2(CCCCC2)C1 ZINC000161451547 527129506 /nfs/dbraw/zinc/12/95/06/527129506.db2.gz UUOABWHGUWLILH-CYBMUJFWSA-N 0 3 298.452 1.643 20 70 CDIDHN CCO[C@@H]1C[C@@H](NC(=O)C[C@@H]2CNCCO2)C12CCCC2 ZINC000159555551 527811625 /nfs/dbraw/zinc/81/16/25/527811625.db2.gz OPNUJJYQRFLDDJ-MGPQQGTHSA-N 0 3 296.411 1.219 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@@H](C)C(=O)OC(C)C)CC1 ZINC000159924288 361946506 /nfs/dbraw/zinc/94/65/06/361946506.db2.gz KZSOVEWAODQPHN-CYBMUJFWSA-N 0 3 299.415 1.311 20 70 CDIDHN CN(Cc1cccn1C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000161108264 539117276 /nfs/dbraw/zinc/11/72/76/539117276.db2.gz KLZCHSFHESBHHU-CQSZACIVSA-N 0 3 290.411 1.651 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161245223 362183592 /nfs/dbraw/zinc/18/35/92/362183592.db2.gz HWCLCLXFSSFXBM-HOSYDEDBSA-N 0 3 250.317 1.877 20 70 CDIDHN CC(C)C[C@H](N)C(=O)NCc1cn2ccccc2n1 ZINC000216755645 344826598 /nfs/dbraw/zinc/82/65/98/344826598.db2.gz GFYMIKIQJWJFBS-LBPRGKRZSA-N 0 3 260.341 1.324 20 70 CDIDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H](C)CCO ZINC000160440812 346137367 /nfs/dbraw/zinc/13/73/67/346137367.db2.gz GUOMNSCZIPUMQR-QWHCGFSZSA-N 0 3 271.405 1.321 20 70 CDIDHN CN(Cc1ccccn1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160653857 346188530 /nfs/dbraw/zinc/18/85/30/346188530.db2.gz ZNAVCXYEHWDSEF-OAHLLOKOSA-N 0 3 288.395 1.707 20 70 CDIDHN CS[C@H](C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000159808412 363329570 /nfs/dbraw/zinc/32/95/70/363329570.db2.gz JLEPRCIHMJGSPG-GHMZBOCLSA-N 0 3 259.419 1.379 20 70 CDIDHN CC(C)[C@@H](N)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160144488 363683938 /nfs/dbraw/zinc/68/39/38/363683938.db2.gz WNPANXPXAFYCRI-UONOGXRCSA-N 0 3 289.379 1.282 20 70 CDIDHN CN1CCC(Oc2ccc(NCc3cc[nH]n3)cn2)CC1 ZINC000160148703 363684620 /nfs/dbraw/zinc/68/46/20/363684620.db2.gz RARAGAOVFHLQPR-UHFFFAOYSA-N 0 3 287.367 1.890 20 70 CDIDHN Cc1cccc([C@@H](C)NCC(=O)N2CCOCC2)c1 ZINC000160236474 361070714 /nfs/dbraw/zinc/07/07/14/361070714.db2.gz BPDORDSDXPECGX-CYBMUJFWSA-N 0 3 262.353 1.504 20 70 CDIDHN C[C@@H](N)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159658092 364248188 /nfs/dbraw/zinc/24/81/88/364248188.db2.gz QDHJIEDYNJGAKS-CYBMUJFWSA-N 0 3 276.380 1.789 20 70 CDIDHN CC(C)C[C@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159690373 364252142 /nfs/dbraw/zinc/25/21/42/364252142.db2.gz YTOCJTPRZXKGAQ-VIFPVBQESA-N 0 3 278.278 1.757 20 70 CDIDHN CCN1CCCN(C(=O)NCc2cc(C)no2)CC1 ZINC000159780997 364264228 /nfs/dbraw/zinc/26/42/28/364264228.db2.gz DAIIGAHLEXFSCE-UHFFFAOYSA-N 0 3 266.345 1.220 20 70 CDIDHN CCCN(CCO)Cc1ccc(OC)c(OC)c1OC ZINC000161206943 364464097 /nfs/dbraw/zinc/46/40/97/364464097.db2.gz KHNKIXMKQPDFRT-UHFFFAOYSA-N 0 3 283.368 1.917 20 70 CDIDHN O=C(N[C@H]1CCOC1)N1CCN(C2CCCC2)CC1 ZINC000159446829 284205630 /nfs/dbraw/zinc/20/56/30/284205630.db2.gz GDHUQNBQIUJMIZ-LBPRGKRZSA-N 0 3 267.373 1.045 20 70 CDIDHN CC(C)N(C)CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159612870 390940408 /nfs/dbraw/zinc/94/04/08/390940408.db2.gz VPLSNXKYRGOUHI-CYBMUJFWSA-N 0 3 268.401 1.935 20 70 CDIDHN CCCO[C@@H]1CCCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000159472746 276019189 /nfs/dbraw/zinc/01/91/89/276019189.db2.gz MUCPHKAMFJXXJD-OLZOCXBDSA-N 0 3 288.457 1.875 20 70 CDIDHN CC(C)OCCNC(=O)c1cccc2c1CCNC2 ZINC000160375602 482796488 /nfs/dbraw/zinc/79/64/88/482796488.db2.gz KNMGGYPQRXNDGS-UHFFFAOYSA-N 0 3 262.353 1.487 20 70 CDIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ncccc1[O-] ZINC000160787718 520646210 /nfs/dbraw/zinc/64/62/10/520646210.db2.gz AKKIFGGCPGESGD-OSQNNJELSA-N 0 3 291.351 1.258 20 70 CDIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ncccc1O ZINC000160787718 520646219 /nfs/dbraw/zinc/64/62/19/520646219.db2.gz AKKIFGGCPGESGD-OSQNNJELSA-N 0 3 291.351 1.258 20 70 CDIDHN CC(C)(CNC(=O)[C@@H]1CCCCO1)N1CCCCC1 ZINC000161409445 527151079 /nfs/dbraw/zinc/15/10/79/527151079.db2.gz FOSSSZIQZONWNU-ZDUSSCGKSA-N 0 3 268.401 1.936 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ccc(OC)nc2)CC1 ZINC000159572016 361740971 /nfs/dbraw/zinc/74/09/71/361740971.db2.gz BZRBCGWYXNHRSS-UHFFFAOYSA-N 0 3 292.383 1.327 20 70 CDIDHN COC[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160666206 346190736 /nfs/dbraw/zinc/19/07/36/346190736.db2.gz HKTXQJANJGODLL-CABCVRRESA-N 0 3 295.427 1.539 20 70 CDIDHN O=C(Nc1nncn1Cc1ccccc1)[C@@H]1CCCCN1 ZINC000161153701 362702212 /nfs/dbraw/zinc/70/22/12/362702212.db2.gz NGRGXAFBRUZUEN-ZDUSSCGKSA-N 0 3 285.351 1.407 20 70 CDIDHN CCOC(=O)N(C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000161155305 362702928 /nfs/dbraw/zinc/70/29/28/362702928.db2.gz ZNPUQABTVGZEID-CYBMUJFWSA-N 0 3 299.415 1.406 20 70 CDIDHN COc1ccccc1O[C@@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000161158566 358791589 /nfs/dbraw/zinc/79/15/89/358791589.db2.gz IYTUSAAABDVSDW-NHYWBVRUSA-N 0 3 296.342 1.280 20 70 CDIDHN CCC[C@@H](N)C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000159643706 364245978 /nfs/dbraw/zinc/24/59/78/364245978.db2.gz TYQYVCKEUKDRJN-GFCCVEGCSA-N 0 3 264.325 1.468 20 70 CDIDHN Cc1ccccc1[C@@H](C)NCCOCCS(C)(=O)=O ZINC000159684724 364251463 /nfs/dbraw/zinc/25/14/63/364251463.db2.gz ZWVWHHFWHHMJKA-CYBMUJFWSA-N 0 3 285.409 1.707 20 70 CDIDHN CCn1nc(C)c(CN2CCC(CC(N)=O)CC2)c1C ZINC000159763657 364262603 /nfs/dbraw/zinc/26/26/03/364262603.db2.gz WBCKIFRSFQVCNE-UHFFFAOYSA-N 0 3 278.400 1.607 20 70 CDIDHN NC[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC000160348608 364337722 /nfs/dbraw/zinc/33/77/22/364337722.db2.gz SIUHUVJICRGZCY-NSHDSACASA-N 0 3 296.317 1.877 20 70 CDIDHN C[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160382203 364343968 /nfs/dbraw/zinc/34/39/68/364343968.db2.gz TZNHVOIRNGKQAR-JQWIXIFHSA-N 0 3 250.317 1.564 20 70 CDIDHN CN(C)C(=O)c1cc(NC(=O)CNCC2CC2)ccc1F ZINC000160358586 364339211 /nfs/dbraw/zinc/33/92/11/364339211.db2.gz NMWTVAHBDZELAH-UHFFFAOYSA-N 0 3 293.342 1.466 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccsc1 ZINC000160098071 364306193 /nfs/dbraw/zinc/30/61/93/364306193.db2.gz MOBQMJZATPSPNG-GFCCVEGCSA-N 0 3 268.382 1.325 20 70 CDIDHN O=C(/C=C/c1cccs1)NC[C@@H](O)CN1CCCCC1 ZINC000160604297 364380646 /nfs/dbraw/zinc/38/06/46/364380646.db2.gz UUQVMMDQDUAFFK-KTRBRXNASA-N 0 3 294.420 1.724 20 70 CDIDHN O=C1NCCCC[C@H]1NCc1cccc2cc[nH]c21 ZINC000218101648 367261713 /nfs/dbraw/zinc/26/17/13/367261713.db2.gz VGLBUKDXBYWJJC-CYBMUJFWSA-N 0 3 257.337 1.926 20 70 CDIDHN COc1ccnc(N2CCC[C@H]2CN2CCCCC2)n1 ZINC000160447402 278065841 /nfs/dbraw/zinc/06/58/41/278065841.db2.gz ZLSGUSVPODOCFV-ZDUSSCGKSA-N 0 3 276.384 1.940 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)s1 ZINC000160672831 279875642 /nfs/dbraw/zinc/87/56/42/279875642.db2.gz FQBRFNZTCBYSIY-GFCCVEGCSA-N 0 3 282.409 1.633 20 70 CDIDHN C[C@@H]1CC[C@H](C(=O)NCc2ccc(CN(C)C)cc2)O1 ZINC000159559531 292761812 /nfs/dbraw/zinc/76/18/12/292761812.db2.gz FWNBIHRQTWTUGR-IUODEOHRSA-N 0 3 276.380 1.932 20 70 CDIDHN CCCN1CCCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC000160398396 519848643 /nfs/dbraw/zinc/84/86/43/519848643.db2.gz IODRENGMGNZAKK-OAHLLOKOSA-N 0 3 298.427 1.516 20 70 CDIDHN CCCCN(C)CCNC(=O)NC[C@@](C)(O)CSC ZINC000159810248 361870872 /nfs/dbraw/zinc/87/08/72/361870872.db2.gz LNBSELQNSZHVTE-CYBMUJFWSA-N 0 3 291.461 1.132 20 70 CDIDHN COCCNCC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000159826415 361875463 /nfs/dbraw/zinc/87/54/63/361875463.db2.gz RYVHOMPYGAOGMR-OAHLLOKOSA-N 0 3 276.380 1.360 20 70 CDIDHN CCCC[C@H](COC)NC(=O)[C@@H](N)CCSC ZINC000161167496 361898774 /nfs/dbraw/zinc/89/87/74/361898774.db2.gz ZFWKQBPCVXNBQY-MNOVXSKESA-N 0 3 262.419 1.388 20 70 CDIDHN Cc1cc(Br)ccc1CNC(=O)[C@@H](C)N ZINC000159544886 362339907 /nfs/dbraw/zinc/33/99/07/362339907.db2.gz RZOWSSFVUDQYOP-MRVPVSSYSA-N 0 3 271.158 1.721 20 70 CDIDHN C[C@@]1(C(=O)[N-]c2nncn2Cc2ccccc2)CC[NH2+]C1 ZINC000159631994 363089039 /nfs/dbraw/zinc/08/90/39/363089039.db2.gz BTGCFYPGXFXJDQ-OAHLLOKOSA-N 0 3 285.351 1.265 20 70 CDIDHN C[C@@H](N)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160569411 359651270 /nfs/dbraw/zinc/65/12/70/359651270.db2.gz ZQABAOBVFJXDJC-MNOVXSKESA-N 0 3 258.325 1.397 20 70 CDIDHN CCCO[C@H]1CCCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000159472902 361709848 /nfs/dbraw/zinc/70/98/48/361709848.db2.gz MUCPHKAMFJXXJD-STQMWFEESA-N 0 3 288.457 1.875 20 70 CDIDHN CCN1CCCN(C(=O)NCCc2cccc(O)c2)CC1 ZINC000159804087 364267533 /nfs/dbraw/zinc/26/75/33/364267533.db2.gz CSTYOKJLHSFJFV-UHFFFAOYSA-N 0 3 291.395 1.672 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1c(F)cccc1F ZINC000160302930 364331478 /nfs/dbraw/zinc/33/14/78/364331478.db2.gz BQDRZLMRHCDUPL-LLVKDONJSA-N 0 3 298.333 1.541 20 70 CDIDHN Cc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160527819 364367983 /nfs/dbraw/zinc/36/79/83/364367983.db2.gz BEMPMOLODGFCIJ-OAHLLOKOSA-N 0 3 276.380 1.572 20 70 CDIDHN Cc1ccc(CC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160702363 364398990 /nfs/dbraw/zinc/39/89/90/364398990.db2.gz OMDUHWKJSQVFSV-MRXNPFEDSA-N 0 3 290.407 1.501 20 70 CDIDHN O=C(c1ccc[nH]c1=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000217933721 375764023 /nfs/dbraw/zinc/76/40/23/375764023.db2.gz WKEBUTLCFDQSAH-GFCCVEGCSA-N 0 3 275.352 1.488 20 70 CDIDHN CC1(C)C[C@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000161489139 377681444 /nfs/dbraw/zinc/68/14/44/377681444.db2.gz JTRDGOYNUKHNDK-CYBMUJFWSA-N 0 3 295.427 1.870 20 70 CDIDHN COC[C@@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160784317 285211955 /nfs/dbraw/zinc/21/19/55/285211955.db2.gz QLFNYHHTVZAKKI-HIFRSBDPSA-N 0 3 276.380 1.975 20 70 CDIDHN CN(CCN1CCCC1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160366779 522826254 /nfs/dbraw/zinc/82/62/54/522826254.db2.gz CFEVKQLNNQJJED-CABCVRRESA-N 0 3 295.427 1.681 20 70 CDIDHN CC[C@H](C(=O)N1CCC(N2CCCCC2=O)CC1)N(C)C ZINC000161279819 523758142 /nfs/dbraw/zinc/75/81/42/523758142.db2.gz AJEFBNATXNRADO-CQSZACIVSA-N 0 3 295.427 1.330 20 70 CDIDHN C[C@@H](N)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159590666 361744992 /nfs/dbraw/zinc/74/49/92/361744992.db2.gz HPFIEPQMFXAZDG-GHMZBOCLSA-N 0 3 258.325 1.397 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cnc(C)nc1C)CC2 ZINC000160406052 282117374 /nfs/dbraw/zinc/11/73/74/282117374.db2.gz RFBPGUBUTABSFS-GWCFXTLKSA-N 0 3 286.383 1.659 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)NCCN1CCCCCC1 ZINC000160222439 362064711 /nfs/dbraw/zinc/06/47/11/362064711.db2.gz OHXUZYZKVIUMGI-UHFFFAOYSA-N 0 3 297.443 1.531 20 70 CDIDHN CS[C@@H](C)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000159616931 363066609 /nfs/dbraw/zinc/06/66/09/363066609.db2.gz MQQJDGZMLDGLHY-NEPJUHHUSA-N 0 3 273.446 1.912 20 70 CDIDHN CCCN1CCCN(C(=O)[C@H](C)OCCOCC)CC1 ZINC000160368822 283328067 /nfs/dbraw/zinc/32/80/67/283328067.db2.gz QRRXKOQAUWOARR-AWEZNQCLSA-N 0 3 286.416 1.372 20 70 CDIDHN CN(C)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160747758 364405907 /nfs/dbraw/zinc/40/59/07/364405907.db2.gz YNJGFZLQBHWODC-CABCVRRESA-N 0 3 291.395 1.768 20 70 CDIDHN CN(C)CCNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161466196 364498599 /nfs/dbraw/zinc/49/85/99/364498599.db2.gz ZYTMCSFMUXGWJX-UHFFFAOYSA-N 0 3 288.355 1.165 20 70 CDIDHN Cc1nc([C@@H](NC(=O)[C@@H](C)N)c2ccccc2F)no1 ZINC000160138205 377048867 /nfs/dbraw/zinc/04/88/67/377048867.db2.gz YYNUXVGQTQDLDK-HQJQHLMTSA-N 0 3 278.287 1.070 20 70 CDIDHN CCCN1CCCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC000159659675 276258486 /nfs/dbraw/zinc/25/84/86/276258486.db2.gz DHMHREXAUFNRDE-OLZOCXBDSA-N 0 3 254.374 1.356 20 70 CDIDHN CNC(=O)[C@H](C)CN(C)Cc1c(C)nc2ccccn21 ZINC000160945080 277248202 /nfs/dbraw/zinc/24/82/02/277248202.db2.gz YPLHQHLMVMXNAG-LLVKDONJSA-N 0 3 274.368 1.457 20 70 CDIDHN C[C@@H](N)C(=O)N1CCc2cccc(Br)c2C1 ZINC000160916928 278304283 /nfs/dbraw/zinc/30/42/83/278304283.db2.gz DBDUUJHRRIGMKE-MRVPVSSYSA-N 0 3 283.169 1.681 20 70 CDIDHN CCC(CC)(CNCC(=O)NCC(C)C)C(=O)OC ZINC000159654749 292764910 /nfs/dbraw/zinc/76/49/10/292764910.db2.gz GXADOHADWQGMFK-UHFFFAOYSA-N 0 3 272.389 1.328 20 70 CDIDHN CCCn1nccc1CNCCC(=O)N[C@@H](C)CC ZINC000160106865 482784334 /nfs/dbraw/zinc/78/43/34/482784334.db2.gz AQQMEDBJRAQDKT-LBPRGKRZSA-N 0 3 266.389 1.688 20 70 CDIDHN CCOCCC1(CNC(=O)C(C)S(C)(=O)=O)CCC1 ZINC000161153131 521688591 /nfs/dbraw/zinc/68/85/91/521688591.db2.gz SBTMIKBCRXTAQZ-LLVKDONJSA-N 0 3 291.413 1.133 20 70 CDIDHN COCCNCC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000159707555 361804627 /nfs/dbraw/zinc/80/46/27/361804627.db2.gz QIWPTCHBEMWLAU-UHFFFAOYSA-N 0 3 282.359 1.456 20 70 CDIDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000160797412 529397951 /nfs/dbraw/zinc/39/79/51/529397951.db2.gz FWJJCVWQDZKSTI-QMTHXVAHSA-N 0 3 289.379 1.627 20 70 CDIDHN CN(CCN1CCCC1)C(=O)c1cccc2nc[nH]c21 ZINC000159399904 539114076 /nfs/dbraw/zinc/11/40/76/539114076.db2.gz DWJITBDLSPKNRK-UHFFFAOYSA-N 0 3 272.352 1.731 20 70 CDIDHN CSCC[C@H](N)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000159613756 362350789 /nfs/dbraw/zinc/35/07/89/362350789.db2.gz HAUCAKHKJJCMQS-NEPJUHHUSA-N 0 3 258.431 1.961 20 70 CDIDHN CCn1nc(CNC[C@]2(OC)CCOC2)c2ccccc21 ZINC000160326089 362413326 /nfs/dbraw/zinc/41/33/26/362413326.db2.gz MEDKHXMDIAPRHU-MRXNPFEDSA-N 0 3 289.379 1.951 20 70 CDIDHN CCC(CC)CN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161032999 362501536 /nfs/dbraw/zinc/50/15/36/362501536.db2.gz DNUGJOCNVUPKAB-CQSZACIVSA-N 0 3 268.401 1.746 20 70 CDIDHN CO[C@]1(CNCc2ccc3c(c2)OCO3)CCOC1 ZINC000160091043 362515365 /nfs/dbraw/zinc/51/53/65/362515365.db2.gz QNWSFVNNCYCDQS-AWEZNQCLSA-N 0 3 265.309 1.310 20 70 CDIDHN CC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160723766 346249007 /nfs/dbraw/zinc/24/90/07/346249007.db2.gz FZILZLGTBFSWAC-CQSZACIVSA-N 0 3 265.401 1.912 20 70 CDIDHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)OC1CCCC1 ZINC000160887000 346659005 /nfs/dbraw/zinc/65/90/05/346659005.db2.gz QNCRVEXGDFISLC-JQWIXIFHSA-N 0 3 270.373 1.350 20 70 CDIDHN CNCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160932408 356670660 /nfs/dbraw/zinc/67/06/60/356670660.db2.gz PQOKQFQFFJNXTO-LLVKDONJSA-N 0 3 295.770 1.171 20 70 CDIDHN COc1cc(NC(=O)NCCN(C)C)cc(OC)c1OC ZINC000217268349 358989392 /nfs/dbraw/zinc/98/93/92/358989392.db2.gz PMBYESRDJZYGOE-UHFFFAOYSA-N 0 3 297.355 1.396 20 70 CDIDHN Cc1cccc([C@@H](C)CNC(=O)CNC[C@@H]2CCCO2)c1 ZINC000160733895 237186815 /nfs/dbraw/zinc/18/68/15/237186815.db2.gz PGGSTILTUCVSLI-HOCLYGCPSA-N 0 3 290.407 1.983 20 70 CDIDHN C[C@@H](CNC(=O)CCC(C)(C)C)CN1CCN(C)CC1 ZINC000160104737 363671179 /nfs/dbraw/zinc/67/11/79/363671179.db2.gz RVWLWEWNCLAJHA-AWEZNQCLSA-N 0 3 283.460 1.812 20 70 CDIDHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160144226 363688941 /nfs/dbraw/zinc/68/89/41/363688941.db2.gz WNPANXPXAFYCRI-ZIAGYGMSSA-N 0 3 289.379 1.282 20 70 CDIDHN C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159473609 361709871 /nfs/dbraw/zinc/70/98/71/361709871.db2.gz WHQZCBSODNFZTG-WOPDTQHZSA-N 0 3 299.415 1.092 20 70 CDIDHN Cc1nn(C)c2ncc(CN(C)C[C@@H]3CCC[C@@H]3O)cc12 ZINC000159662417 364247829 /nfs/dbraw/zinc/24/78/29/364247829.db2.gz KQEASJYDRSAXPP-ZFWWWQNUSA-N 0 3 288.395 1.870 20 70 CDIDHN CCN1CCC[C@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC000160330982 364336050 /nfs/dbraw/zinc/33/60/50/364336050.db2.gz APHUGUILPPXOKC-HNNXBMFYSA-N 0 3 299.378 1.481 20 70 CDIDHN COC(CN1CCC[C@H](c2nnc3ccccn32)C1)OC ZINC000161182354 364461111 /nfs/dbraw/zinc/46/11/11/364461111.db2.gz XUVWTTLCBQLBQC-LBPRGKRZSA-N 0 3 290.367 1.528 20 70 CDIDHN CN(C)C(=O)c1cc(NC(=O)C(C)(C)N)ccc1F ZINC000161407564 364669947 /nfs/dbraw/zinc/66/99/47/364669947.db2.gz AODUCZCWTUTFQI-UHFFFAOYSA-N 0 3 267.304 1.203 20 70 CDIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(=O)n1C ZINC000160926878 377138624 /nfs/dbraw/zinc/13/86/24/377138624.db2.gz HAUFHEWQXWBFIB-QWHCGFSZSA-N 0 3 291.395 1.236 20 70 CDIDHN OCCCCCN1CCN(c2ccccc2O)CC1 ZINC000160966030 261232471 /nfs/dbraw/zinc/23/24/71/261232471.db2.gz GRZVAYANDLGHBN-UHFFFAOYSA-N 0 3 264.369 1.677 20 70 CDIDHN CC(C)C[C@@H](CO)NC(=O)[C@H](C)N1CCCCCC1 ZINC000161079589 275587152 /nfs/dbraw/zinc/58/71/52/275587152.db2.gz HRZLQBYTQIDJAE-KBPBESRZSA-N 0 3 270.417 1.774 20 70 CDIDHN CCN(CC)CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159888873 279091279 /nfs/dbraw/zinc/09/12/79/279091279.db2.gz CFQFXJXDBSAAKV-ZDUSSCGKSA-N 0 3 268.401 1.936 20 70 CDIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)N)[C@@H](C)CO1 ZINC000161468343 281369418 /nfs/dbraw/zinc/36/94/18/281369418.db2.gz PLRGZSFEYXQAFO-SCRDCRAPSA-N 0 3 262.353 1.631 20 70 CDIDHN C([C@@H]1CCCO1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161401703 518403628 /nfs/dbraw/zinc/40/36/28/518403628.db2.gz XGMNVNXXHCMOJW-STQMWFEESA-N 0 3 276.384 1.583 20 70 CDIDHN CN(CCN[C@H](C(N)=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000160526028 522869949 /nfs/dbraw/zinc/86/99/49/522869949.db2.gz CVUJFSTXPADBAC-CQSZACIVSA-N 0 3 295.402 1.747 20 70 CDIDHN CC(C)[C@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159648002 361761386 /nfs/dbraw/zinc/76/13/86/361761386.db2.gz XKDXDQCWXBTQIS-GOEBONIOSA-N 0 3 276.380 1.744 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)c2nccs2)CC1 ZINC000159827937 361872350 /nfs/dbraw/zinc/87/23/50/361872350.db2.gz AVWYIAHFQBDCGQ-NSHDSACASA-N 0 3 282.413 1.941 20 70 CDIDHN CCc1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160266613 529636451 /nfs/dbraw/zinc/63/64/51/529636451.db2.gz BNXGBYLMEOMHNU-CYBMUJFWSA-N 0 3 296.436 1.887 20 70 CDIDHN CCOCCNCc1cncc(Br)c1 ZINC000160562487 362445134 /nfs/dbraw/zinc/44/51/34/362445134.db2.gz YQRBOVFJVRWTJP-UHFFFAOYSA-N 0 3 259.147 1.970 20 70 CDIDHN c1ncn(C[C@@H]2CCCN(Cc3cnc4ccccn34)C2)n1 ZINC000160302172 361397183 /nfs/dbraw/zinc/39/71/83/361397183.db2.gz MPLRJBNMYYSTMA-CQSZACIVSA-N 0 3 296.378 1.838 20 70 CDIDHN C[C@@H](N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161002934 361617290 /nfs/dbraw/zinc/61/72/90/361617290.db2.gz LSWOKPQVAQKIQO-SCSAIBSYSA-N 0 3 253.249 1.125 20 70 CDIDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)sc1C ZINC000160252860 364326235 /nfs/dbraw/zinc/32/62/35/364326235.db2.gz KRKAQQUVVIVQDL-CYBMUJFWSA-N 0 3 296.436 1.942 20 70 CDIDHN CC(C)n1nccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000159914497 364280014 /nfs/dbraw/zinc/28/00/14/364280014.db2.gz GXTWRVKRDYPSLZ-GFCCVEGCSA-N 0 3 264.373 1.630 20 70 CDIDHN COC[C@@H](Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000161313263 364476607 /nfs/dbraw/zinc/47/66/07/364476607.db2.gz MQYNBJCKVYFDKO-UONOGXRCSA-N 0 3 283.393 1.021 20 70 CDIDHN O=C(NCCNCc1cccc2cc[nH]c21)C1CC1 ZINC000218070702 367259735 /nfs/dbraw/zinc/25/97/35/367259735.db2.gz VURUIDDUSJQCSH-UHFFFAOYSA-N 0 3 257.337 1.784 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1ccsc1 ZINC000160722365 377094924 /nfs/dbraw/zinc/09/49/24/377094924.db2.gz QVRBCVMQURUNBS-UHFFFAOYSA-N 0 3 268.382 1.182 20 70 CDIDHN C[C@@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159508570 412954353 /nfs/dbraw/zinc/95/43/53/412954353.db2.gz YMKVJSNGJFXDTP-QMTHXVAHSA-N 0 3 296.798 1.959 20 70 CDIDHN COCCN(C)CCN[C@@H]1CCCc2nc(C)sc21 ZINC000159399266 390939771 /nfs/dbraw/zinc/93/97/71/390939771.db2.gz HMUVDEBMECSNOD-GFCCVEGCSA-N 0 3 283.441 1.997 20 70 CDIDHN CN1C(=O)CC[C@@H](NC/C=C\c2ccccc2)C1=O ZINC000217502419 140163587 /nfs/dbraw/zinc/16/35/87/140163587.db2.gz YOTYHDQJDWPNBT-DMTLFAOVSA-N 0 3 258.321 1.437 20 70 CDIDHN CCn1ccnc1CNCCCNC(=O)OC(C)(C)C ZINC000217799102 280089626 /nfs/dbraw/zinc/08/96/26/280089626.db2.gz SIUUBTIFLRTPQS-UHFFFAOYSA-N 0 3 282.388 1.907 20 70 CDIDHN COC(=O)C[C@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000160479580 292787926 /nfs/dbraw/zinc/78/79/26/292787926.db2.gz KGNSSZUSHYNFLW-LBPRGKRZSA-N 0 3 292.379 1.564 20 70 CDIDHN COCCN1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000161347537 523814366 /nfs/dbraw/zinc/81/43/66/523814366.db2.gz NESZEHKMPOGCNY-LBPRGKRZSA-N 0 3 254.374 1.260 20 70 CDIDHN O=C(Cc1ccccc1F)NCC1CCN(CCO)CC1 ZINC000160698347 527289494 /nfs/dbraw/zinc/28/94/94/527289494.db2.gz OHJRWUQJQHHGBY-UHFFFAOYSA-N 0 3 294.370 1.189 20 70 CDIDHN CCC(=O)N1CC[C@@H](C(=O)N(C)C2CCN(CC)CC2)C1 ZINC000161454666 528333040 /nfs/dbraw/zinc/33/30/40/528333040.db2.gz YLIVKMTYYQVTRQ-CYBMUJFWSA-N 0 3 295.427 1.188 20 70 CDIDHN CC[C@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)N(C)C ZINC000159627283 361757986 /nfs/dbraw/zinc/75/79/86/361757986.db2.gz HJRRYTBWZYFEMA-CHWSQXEVSA-N 0 3 283.416 1.090 20 70 CDIDHN CCN1CCCN(C(=O)NC[C@H](C)Cn2cccn2)CC1 ZINC000159731541 361823822 /nfs/dbraw/zinc/82/38/22/361823822.db2.gz HKZSKYADYAGMIE-AWEZNQCLSA-N 0 3 293.415 1.256 20 70 CDIDHN CCC(CC)CN(CC)C(=O)C(C)S(C)(=O)=O ZINC000160211212 362055661 /nfs/dbraw/zinc/05/56/61/362055661.db2.gz LSYADWKBPXFCIL-SNVBAGLBSA-N 0 3 263.403 1.704 20 70 CDIDHN Cc1ccccc1[C@@H]1CN(C(=O)[C@H](N)C(C)C)CCO1 ZINC000160842880 362183651 /nfs/dbraw/zinc/18/36/51/362183651.db2.gz IUOMYHDRTLHHKL-LSDHHAIUSA-N 0 3 276.380 1.878 20 70 CDIDHN CC(C)(O)CNCc1cncc(Br)c1 ZINC000160582990 362451571 /nfs/dbraw/zinc/45/15/71/362451571.db2.gz IXCZLEIHINFNBB-UHFFFAOYSA-N 0 3 259.147 1.705 20 70 CDIDHN C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159907303 362562472 /nfs/dbraw/zinc/56/24/72/362562472.db2.gz BINCEBUILQEVMR-RISCZKNCSA-N 0 3 285.351 1.149 20 70 CDIDHN COCC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160643631 346187460 /nfs/dbraw/zinc/18/74/60/346187460.db2.gz LGJMWELQXPWHFI-OAHLLOKOSA-N 0 3 295.427 1.539 20 70 CDIDHN CCN(Cc1ccc(C(=O)NCCO)cc1)C1CC1 ZINC000159469532 358597223 /nfs/dbraw/zinc/59/72/23/358597223.db2.gz CCKJBWLSBYQXDR-UHFFFAOYSA-N 0 3 262.353 1.393 20 70 CDIDHN CC(C)C[C@H](N)C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000160846113 361369774 /nfs/dbraw/zinc/36/97/74/361369774.db2.gz ANYDORKVDLOOFS-SCRDCRAPSA-N 0 3 256.390 1.417 20 70 CDIDHN CC(C)[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)N(C)C ZINC000160341379 364338263 /nfs/dbraw/zinc/33/82/63/364338263.db2.gz BZLOGLQXHJCSHW-CQSZACIVSA-N 0 3 278.352 1.964 20 70 CDIDHN CC[C@H](N)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161508103 364505074 /nfs/dbraw/zinc/50/50/74/364505074.db2.gz AEGZGIUQRWEXMD-STQMWFEESA-N 0 3 264.325 1.530 20 70 CDIDHN CCCCN(C)CCNC(=O)NCCc1ccncc1C ZINC000161201672 364765773 /nfs/dbraw/zinc/76/57/73/364765773.db2.gz CDBKTUMPGBLQOF-UHFFFAOYSA-N 0 3 292.427 1.964 20 70 CDIDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H](C)N)cc1 ZINC000161100987 390967234 /nfs/dbraw/zinc/96/72/34/390967234.db2.gz IDBGWMBVYGWQFJ-YUELXQCFSA-N 0 3 276.380 1.926 20 70 CDIDHN CSC[C@@](C)(O)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000217644074 392964439 /nfs/dbraw/zinc/96/44/39/392964439.db2.gz WRBQDJBPOZBKOH-HNNXBMFYSA-N 0 3 296.436 1.592 20 70 CDIDHN CCc1nnc(N[C@@H]2CCN(C)[C@@H](C)C2)nc1CC ZINC000218132619 140165528 /nfs/dbraw/zinc/16/55/28/140165528.db2.gz JMEQYVLBXWQURJ-WDEREUQCSA-N 0 3 263.389 1.891 20 70 CDIDHN COc1ccnc(N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000160447261 277474418 /nfs/dbraw/zinc/47/44/18/277474418.db2.gz ZLSGUSVPODOCFV-CYBMUJFWSA-N 0 3 276.384 1.940 20 70 CDIDHN CC1(C)[C@H](NC(=O)C2(N)CCCCC2)[C@@H]2CCO[C@@H]21 ZINC000161109178 281480288 /nfs/dbraw/zinc/48/02/88/281480288.db2.gz HNOXNJQBEFIHOH-TUAOUCFPSA-N 0 3 266.385 1.578 20 70 CDIDHN COc1cc(C2(C(=O)NCCN(C)C)CC2)ccc1C ZINC000160345347 292784496 /nfs/dbraw/zinc/78/44/96/292784496.db2.gz SBZRPWAPGDWYOE-UHFFFAOYSA-N 0 3 276.380 1.713 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)NCCN1CCCCC1 ZINC000160571287 519590326 /nfs/dbraw/zinc/59/03/26/519590326.db2.gz FMEZYOJGYDPELI-UHFFFAOYSA-N 0 3 283.416 1.141 20 70 CDIDHN COC(=O)[C@@H](C)CN(C)Cc1c(C)nc2ccccn21 ZINC000160415517 523500280 /nfs/dbraw/zinc/50/02/80/523500280.db2.gz LTVRGIMVOAAMEL-NSHDSACASA-N 0 3 275.352 1.884 20 70 CDIDHN CC(C)C[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000159548803 361734589 /nfs/dbraw/zinc/73/45/89/361734589.db2.gz ADBGMAVUTBJOKZ-KXNHARMFSA-N 0 3 254.374 1.290 20 70 CDIDHN C[C@@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000159568902 361739151 /nfs/dbraw/zinc/73/91/51/361739151.db2.gz YVPZWAXBAPRYAO-SNVBAGLBSA-N 0 3 250.317 1.879 20 70 CDIDHN CCN1CCC[C@@H]1CNC(=O)NCCCC(=O)OC(C)C ZINC000159745989 361824519 /nfs/dbraw/zinc/82/45/19/361824519.db2.gz ITTIBVCKNQIXDM-CYBMUJFWSA-N 0 3 299.415 1.502 20 70 CDIDHN Cc1cc(Br)ccc1CNC(=O)[C@H](C)N ZINC000159544423 362340034 /nfs/dbraw/zinc/34/00/34/362340034.db2.gz RZOWSSFVUDQYOP-QMMMGPOBSA-N 0 3 271.158 1.721 20 70 CDIDHN CO[C@@]1(CNCc2ccc3c(c2)OCO3)CCOC1 ZINC000160091189 362394056 /nfs/dbraw/zinc/39/40/56/362394056.db2.gz QNWSFVNNCYCDQS-CQSZACIVSA-N 0 3 265.309 1.310 20 70 CDIDHN COCCN(C)CCCNC(=O)NCC1(C2CC2)CC1 ZINC000159638116 363093983 /nfs/dbraw/zinc/09/39/83/363093983.db2.gz KGHKIMRXHGATJI-UHFFFAOYSA-N 0 3 283.416 1.444 20 70 CDIDHN CC[C@@H](C(=O)NCCNC(=O)CC1CCCCC1)N(C)C ZINC000159712592 363220195 /nfs/dbraw/zinc/22/01/95/363220195.db2.gz GCLBAAWVYQTESJ-AWEZNQCLSA-N 0 3 297.443 1.529 20 70 CDIDHN CC(C)(N)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159394528 188423397 /nfs/dbraw/zinc/42/33/97/188423397.db2.gz NRSJOUXSZRLYQB-SNVBAGLBSA-N 0 3 295.770 1.299 20 70 CDIDHN CCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C)C1 ZINC000218001541 360655795 /nfs/dbraw/zinc/65/57/95/360655795.db2.gz AHXCYFVWNDQNCX-CHWSQXEVSA-N 0 3 253.390 1.912 20 70 CDIDHN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000160828713 361254378 /nfs/dbraw/zinc/25/43/78/361254378.db2.gz WXPNMEMHGAEGDC-ZIAGYGMSSA-N 0 3 295.427 1.093 20 70 CDIDHN COCCN(CCCOc1ccc(F)cc1)C(=O)[C@H](C)N ZINC000159377861 361678422 /nfs/dbraw/zinc/67/84/22/361678422.db2.gz LBVXEMWMZKUQKK-LBPRGKRZSA-N 0 3 298.358 1.417 20 70 CDIDHN CC(C)C[C@H](N)C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000161045413 361668659 /nfs/dbraw/zinc/66/86/59/361668659.db2.gz QDSBRPVXYOIZIQ-ZDUSSCGKSA-N 0 3 287.363 1.518 20 70 CDIDHN CCCNC(=O)CN(C)C(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000160542851 363989390 /nfs/dbraw/zinc/98/93/90/363989390.db2.gz KSQLLBQBKIFXPJ-KBPBESRZSA-N 0 3 295.427 1.236 20 70 CDIDHN C[C@@H](CO)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160101264 364305491 /nfs/dbraw/zinc/30/54/91/364305491.db2.gz OOUWMJCXFGCSPU-GZBFAFLISA-N 0 3 291.395 1.329 20 70 CDIDHN C[C@@H](CO)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160101385 364305525 /nfs/dbraw/zinc/30/55/25/364305525.db2.gz OOUWMJCXFGCSPU-KCQAQPDRSA-N 0 3 291.395 1.329 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)nc1 ZINC000160435629 364352292 /nfs/dbraw/zinc/35/22/92/364352292.db2.gz IWCNHPVVCLOGSJ-GFCCVEGCSA-N 0 3 297.786 1.312 20 70 CDIDHN COC(=O)c1csc(NC(=O)N(C)CCN(C)C)c1 ZINC000160872050 364422066 /nfs/dbraw/zinc/42/20/66/364422066.db2.gz KHWBYKULEUQKQP-UHFFFAOYSA-N 0 3 285.369 1.560 20 70 CDIDHN Cc1nc(CC(=O)N2CC[C@H](N3CCCC3)C2)c(C)s1 ZINC000161337916 373461359 /nfs/dbraw/zinc/46/13/59/373461359.db2.gz XOJPENDPPVQODM-ZDUSSCGKSA-N 0 3 293.436 1.999 20 70 CDIDHN CN(C)C(=O)c1ccc(CN[C@@H]2CCOC(C)(C)C2)[nH]1 ZINC000160546385 377084194 /nfs/dbraw/zinc/08/41/94/377084194.db2.gz BPWQOCULIOPVIP-LLVKDONJSA-N 0 3 279.384 1.764 20 70 CDIDHN COCCNCC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000160548333 377084572 /nfs/dbraw/zinc/08/45/72/377084572.db2.gz FWJMTOPQCYVGHO-UHFFFAOYSA-N 0 3 296.798 1.724 20 70 CDIDHN COc1ccsc1C(=O)NCC1CCN(CCO)CC1 ZINC000160639542 377099564 /nfs/dbraw/zinc/09/95/64/377099564.db2.gz PUTJCSHWVHOWHJ-UHFFFAOYSA-N 0 3 298.408 1.191 20 70 CDIDHN COCCCOC1CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC000159790213 139905250 /nfs/dbraw/zinc/90/52/50/139905250.db2.gz XURBAKUPRWHWKC-AWEZNQCLSA-N 0 3 286.416 1.404 20 70 CDIDHN CCc1ncnc(NC[C@H]2CN3CCC[C@@H]3CO2)c1F ZINC000217998387 140164222 /nfs/dbraw/zinc/16/42/22/140164222.db2.gz NIAAEOVJXYZTND-MNOVXSKESA-N 0 3 280.347 1.453 20 70 CDIDHN CCN(CC)CCNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000159587194 292762318 /nfs/dbraw/zinc/76/23/18/292762318.db2.gz LWNNRGFJNLZIHG-YPMHNXCESA-N 0 3 254.374 1.450 20 70 CDIDHN CCCn1nccc1CN[C@H](CO)Cc1ccccc1 ZINC000160144414 482786290 /nfs/dbraw/zinc/78/62/90/482786290.db2.gz WLPGMWZXUIKRBA-HNNXBMFYSA-N 0 3 273.380 1.986 20 70 CDIDHN O=C(NCCn1ccnc1)c1cccc(-c2nnc[nH]2)c1 ZINC000160376158 526474415 /nfs/dbraw/zinc/47/44/15/526474415.db2.gz DZEYCCSACNJIRU-UHFFFAOYSA-N 0 3 282.307 1.098 20 70 CDIDHN CCCCN(C)CCNC(=O)NC[C@](C)(O)CSC ZINC000159810119 361870349 /nfs/dbraw/zinc/87/03/49/361870349.db2.gz LNBSELQNSZHVTE-ZDUSSCGKSA-N 0 3 291.461 1.132 20 70 CDIDHN Cc1ccc(CNCCC(=O)N2CCOCC2)cc1F ZINC000159366161 362315386 /nfs/dbraw/zinc/31/53/86/362315386.db2.gz AAZJVNMYMUJCQO-UHFFFAOYSA-N 0 3 280.343 1.473 20 70 CDIDHN CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]1O)N1CCCCC1 ZINC000161278175 365970074 /nfs/dbraw/zinc/97/00/74/365970074.db2.gz IRNZBHOGIAWRKI-IHRRRGAJSA-N 0 3 268.401 1.527 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160351362 358504022 /nfs/dbraw/zinc/50/40/22/358504022.db2.gz WEXQRJGMJHSIDP-GJZGRUSLSA-N 0 3 297.443 1.926 20 70 CDIDHN CCN1CCN(CCCNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000160441751 358639529 /nfs/dbraw/zinc/63/95/29/358639529.db2.gz XSDXRXFELUIDGA-CVEARBPZSA-N 0 3 295.471 1.957 20 70 CDIDHN Cc1cccc([C@H](C)CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000160735978 237185777 /nfs/dbraw/zinc/18/57/77/237185777.db2.gz YYHPWTUDOKXWLS-UKRRQHHQSA-N 0 3 276.380 1.593 20 70 CDIDHN NC1(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000159376043 361677436 /nfs/dbraw/zinc/67/74/36/361677436.db2.gz POZUVBVHMHFGCL-GMSGAONNSA-N 0 3 252.264 1.428 20 70 CDIDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc2nc[nH]c21 ZINC000159667405 364248905 /nfs/dbraw/zinc/24/89/05/364248905.db2.gz NXADZFQZMHMRRK-RISCZKNCSA-N 0 3 286.379 1.975 20 70 CDIDHN COCCOc1ccc([C@H](C)NCCO)cc1OC ZINC000159693748 364253138 /nfs/dbraw/zinc/25/31/38/364253138.db2.gz CQCWSNLSLZXLQI-NSHDSACASA-N 0 3 269.341 1.363 20 70 CDIDHN Cc1ccc(C[C@H](C)NC(=O)CNC[C@@H]2CCCO2)s1 ZINC000159793740 364265724 /nfs/dbraw/zinc/26/57/24/364265724.db2.gz KVFCFQXOWPYGHC-AAEUAGOBSA-N 0 3 296.436 1.872 20 70 CDIDHN C[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160385804 364343680 /nfs/dbraw/zinc/34/36/80/364343680.db2.gz TZNHVOIRNGKQAR-ZYHUDNBSSA-N 0 3 250.317 1.564 20 70 CDIDHN O=C(/C=C/c1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160150514 364311910 /nfs/dbraw/zinc/31/19/10/364311910.db2.gz YKTCGHVFMCCTIT-ZNFPLGDCSA-N 0 3 288.391 1.663 20 70 CDIDHN CNc1ccccc1C(=O)NC[C@H](C)N1CCCC1 ZINC000161304734 377566881 /nfs/dbraw/zinc/56/68/81/377566881.db2.gz OCXHSVCUBHNBQH-LBPRGKRZSA-N 0 3 261.369 1.942 20 70 CDIDHN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CN ZINC000159772789 292768974 /nfs/dbraw/zinc/76/89/74/292768974.db2.gz RPCAMXBOIQGQKK-GFCCVEGCSA-N 0 3 268.332 1.694 20 70 CDIDHN C[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)N1CCCC1 ZINC000161014921 292797993 /nfs/dbraw/zinc/79/79/93/292797993.db2.gz KCINDOPIAKLRFV-HIFRSBDPSA-N 0 3 275.396 1.157 20 70 CDIDHN Cc1ccccc1OC[C@H](O)CNCCOC(C)C ZINC000160214027 482788921 /nfs/dbraw/zinc/78/89/21/482788921.db2.gz MWNBCQFASDKOSC-CQSZACIVSA-N 0 3 267.369 1.749 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000159997612 535514826 /nfs/dbraw/zinc/51/48/26/535514826.db2.gz XYNQYIJVQIAHTI-ZDUSSCGKSA-N 0 3 283.416 1.539 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)NCCN1CCC(C)CC1 ZINC000160553492 519590024 /nfs/dbraw/zinc/59/00/24/519590024.db2.gz ZAQLLZZHQRZMMM-UHFFFAOYSA-N 0 3 297.443 1.387 20 70 CDIDHN COc1ccccc1O[C@@H](C)CNC(=O)[C@@]1(F)CCNC1 ZINC000161158759 524690300 /nfs/dbraw/zinc/69/03/00/524690300.db2.gz IYTUSAAABDVSDW-XHDPSFHLSA-N 0 3 296.342 1.280 20 70 CDIDHN C[C@H](N)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000159542240 524816306 /nfs/dbraw/zinc/81/63/06/524816306.db2.gz WDOBCFAVHADSTE-NSHDSACASA-N 0 3 281.400 1.021 20 70 CDIDHN O=C(CCc1ccccc1)NCC1CCN(CCO)CC1 ZINC000160662743 526609040 /nfs/dbraw/zinc/60/90/40/526609040.db2.gz VGPWOPZRIOGWJF-UHFFFAOYSA-N 0 3 290.407 1.440 20 70 CDIDHN NC(=O)CC1CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000159761671 361831982 /nfs/dbraw/zinc/83/19/82/361831982.db2.gz YZYUAPTZCGJOQA-UHFFFAOYSA-N 0 3 272.352 1.650 20 70 CDIDHN CCN(C(=O)[C@]1(F)CCNC1)c1nc(C)cs1 ZINC000160178472 362047174 /nfs/dbraw/zinc/04/71/74/362047174.db2.gz QWYODDAEYCUHMR-NSHDSACASA-N 0 3 257.334 1.506 20 70 CDIDHN CCOCCC1(CNC(=O)NC2CCN(C)CC2)CC1 ZINC000159567022 362438319 /nfs/dbraw/zinc/43/83/19/362438319.db2.gz DDLAXUVKLVNESK-UHFFFAOYSA-N 0 3 283.416 1.587 20 70 CDIDHN CCCCn1ncc(C(=O)NCCN(C)C)c1C ZINC000160974736 362580720 /nfs/dbraw/zinc/58/07/20/362580720.db2.gz LPSGXKMLGOEQAX-UHFFFAOYSA-N 0 3 252.362 1.283 20 70 CDIDHN COCCC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000160947023 362566394 /nfs/dbraw/zinc/56/63/94/362566394.db2.gz MNAUNAFRYLQQBF-KGLIPLIRSA-N 0 3 297.443 1.785 20 70 CDIDHN CN(Cc1ccccn1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160653992 346188413 /nfs/dbraw/zinc/18/84/13/346188413.db2.gz ZNAVCXYEHWDSEF-HNNXBMFYSA-N 0 3 288.395 1.707 20 70 CDIDHN C[C@H]1C[C@H](NC(=O)N(C)CC2CCOCC2)CN1C1CC1 ZINC000159855735 363380619 /nfs/dbraw/zinc/38/06/19/363380619.db2.gz NMFUNRDMWJLECS-JSGCOSHPSA-N 0 3 295.427 1.680 20 70 CDIDHN OCCn1nccc1C1CCN(CCOCC2CC2)CC1 ZINC000160073854 237166291 /nfs/dbraw/zinc/16/62/91/237166291.db2.gz ZQPVVPFIBASFAS-UHFFFAOYSA-N 0 3 293.411 1.481 20 70 CDIDHN CCC[C@@H](N)C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1 ZINC000160963975 360215367 /nfs/dbraw/zinc/21/53/67/360215367.db2.gz DDCMSENIYQJGKG-HUUCEWRRSA-N 0 3 294.395 1.751 20 70 CDIDHN O=C(CSC[C@H]1CCCCO1)N1CCCNCC1 ZINC000160861401 361457533 /nfs/dbraw/zinc/45/75/33/361457533.db2.gz FJTSTRZFOSZXQF-GFCCVEGCSA-N 0 3 272.414 1.111 20 70 CDIDHN CC1CCN(CCNC(=O)[C@@H](O)c2ccccc2)CC1 ZINC000159518406 364226699 /nfs/dbraw/zinc/22/66/99/364226699.db2.gz QPHYSUOOAUUNBU-HNNXBMFYSA-N 0 3 276.380 1.568 20 70 CDIDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(OC)nn1 ZINC000160246072 364324905 /nfs/dbraw/zinc/32/49/05/364324905.db2.gz JAFUKPBQCVTNEP-GFCCVEGCSA-N 0 3 292.383 1.480 20 70 CDIDHN Cc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1F ZINC000160320384 364334492 /nfs/dbraw/zinc/33/44/92/364334492.db2.gz ROJGXPGSJCOFCR-CYBMUJFWSA-N 0 3 294.370 1.711 20 70 CDIDHN CSc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160035272 364297368 /nfs/dbraw/zinc/29/73/68/364297368.db2.gz KCWQQEYGGRIKQS-LLVKDONJSA-N 0 3 298.408 1.578 20 70 CDIDHN CN1CCC[C@@H]1CNCc1nn(C)c2ccccc12 ZINC000218141221 375794803 /nfs/dbraw/zinc/79/48/03/375794803.db2.gz LQVKYINUQHZYBK-GFCCVEGCSA-N 0 3 258.369 1.757 20 70 CDIDHN CN1CCC(NC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000161230364 377198970 /nfs/dbraw/zinc/19/89/70/377198970.db2.gz XLFXKKADZDIGRW-GFCCVEGCSA-N 0 3 271.405 1.177 20 70 CDIDHN COC[C@@H](C)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160784552 285212077 /nfs/dbraw/zinc/21/20/77/285212077.db2.gz QLFNYHHTVZAKKI-UKRRQHHQSA-N 0 3 276.380 1.975 20 70 CDIDHN CCOCCCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000160392361 286056763 /nfs/dbraw/zinc/05/67/63/286056763.db2.gz FZIMTQUXRDOPJP-CQSZACIVSA-N 0 3 284.400 1.126 20 70 CDIDHN CC[C@H](C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21)N(C)C ZINC000159777643 287504207 /nfs/dbraw/zinc/50/42/07/287504207.db2.gz BYSNUERJDLCHQK-FDYHWXHSSA-N 0 3 254.374 1.400 20 70 CDIDHN CN(C)[C@@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159703226 276777520 /nfs/dbraw/zinc/77/75/20/276777520.db2.gz PQPHNIPLGMSMNM-GJZGRUSLSA-N 0 3 276.380 1.975 20 70 CDIDHN CCOCCC1(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC000159483189 292760443 /nfs/dbraw/zinc/76/04/43/292760443.db2.gz ABJJOYCFRNCUKH-GFCCVEGCSA-N 0 3 256.390 1.650 20 70 CDIDHN CCCN1CCCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000160400933 519848518 /nfs/dbraw/zinc/84/85/18/519848518.db2.gz PAMIGOGYVBTNJH-CQSZACIVSA-N 0 3 268.401 1.890 20 70 CDIDHN CN(CCN1CCCC1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160367191 522824500 /nfs/dbraw/zinc/82/45/00/522824500.db2.gz CFEVKQLNNQJJED-LSDHHAIUSA-N 0 3 295.427 1.681 20 70 CDIDHN CSCCCCNC(=O)[C@H](N)CCSC ZINC000161203976 525436201 /nfs/dbraw/zinc/43/62/01/525436201.db2.gz JSWDBDMUXISMEO-SECBINFHSA-N 0 3 250.433 1.326 20 70 CDIDHN CC1(C)CCCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000161044737 528926092 /nfs/dbraw/zinc/92/60/92/528926092.db2.gz GLNVJWQJJVZKDY-CYBMUJFWSA-N 0 3 268.401 1.794 20 70 CDIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cncs1)CC2 ZINC000160401918 282127547 /nfs/dbraw/zinc/12/75/47/282127547.db2.gz MFVOZIQKSQCMQT-PSASIEDQSA-N 0 3 263.370 1.709 20 70 CDIDHN CCN(CC)C(=O)CN1CCN(c2ccncc2)CC1 ZINC000161308953 539117514 /nfs/dbraw/zinc/11/75/14/539117514.db2.gz OWDBRTLYNNKDIN-UHFFFAOYSA-N 0 3 276.384 1.072 20 70 CDIDHN CS[C@H](C)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000159616813 363066568 /nfs/dbraw/zinc/06/65/68/363066568.db2.gz MQQJDGZMLDGLHY-NWDGAFQWSA-N 0 3 273.446 1.912 20 70 CDIDHN CN1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@@H](CN)C1 ZINC000160209024 363758006 /nfs/dbraw/zinc/75/80/06/363758006.db2.gz LYQOWFZPQJAFTO-CGAUPDFVSA-N 0 3 291.439 1.160 20 70 CDIDHN CC1(C)C[C@@H](NCC(=O)NCC(F)(F)F)C(C)(C)O1 ZINC000160608393 364087080 /nfs/dbraw/zinc/08/70/80/364087080.db2.gz AYYREDSFCHZKTO-MRVPVSSYSA-N 0 3 282.306 1.601 20 70 CDIDHN COCCCN(C)CCNC(=O)c1ccnn1C(C)C ZINC000160007594 364294606 /nfs/dbraw/zinc/29/46/06/364294606.db2.gz HMOJQGBJXJEVKL-UHFFFAOYSA-N 0 3 282.388 1.162 20 70 CDIDHN COc1ccc(C(=O)NC[C@H](CC(C)C)N(C)C)nn1 ZINC000160043856 364299122 /nfs/dbraw/zinc/29/91/22/364299122.db2.gz DGOADKUDBZWARJ-NSHDSACASA-N 0 3 280.372 1.191 20 70 CDIDHN CCn1cc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cn1 ZINC000160460997 364355922 /nfs/dbraw/zinc/35/59/22/364355922.db2.gz POQYKISCLBYJRZ-ZWNOBZJWSA-N 0 3 274.372 1.469 20 70 CDIDHN CC(C)[C@H](CO)NCc1cncc(Br)c1 ZINC000160586759 364379185 /nfs/dbraw/zinc/37/91/85/364379185.db2.gz GQDQSALQKOYADB-NSHDSACASA-N 0 3 273.174 1.951 20 70 CDIDHN COC(=O)N(C)Cc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000160950623 364432722 /nfs/dbraw/zinc/43/27/22/364432722.db2.gz JFHIVTWWJWXERO-SECBINFHSA-N 0 3 265.313 1.171 20 70 CDIDHN CCC[C@@H](N)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000161409486 373569241 /nfs/dbraw/zinc/56/92/41/373569241.db2.gz OEYRUGCFPZTVNX-GFCCVEGCSA-N 0 3 281.331 1.593 20 70 CDIDHN CCOC[C@H]1CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000160067437 376999375 /nfs/dbraw/zinc/99/93/75/376999375.db2.gz UJICDNMLHRNHPY-RYUDHWBXSA-N 0 3 274.430 1.342 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1cccs1 ZINC000160610821 377097249 /nfs/dbraw/zinc/09/72/49/377097249.db2.gz BPKOXOQCTSSVTF-UHFFFAOYSA-N 0 3 268.382 1.182 20 70 CDIDHN CCN(CCCN1CCCCC1)[C@@H](C)CS(C)(=O)=O ZINC000161094134 284897074 /nfs/dbraw/zinc/89/70/74/284897074.db2.gz SAHSYWVPHNFIAD-AWEZNQCLSA-N 0 3 290.473 1.617 20 70 CDIDHN CC[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000159941170 391695771 /nfs/dbraw/zinc/69/57/71/391695771.db2.gz KQOHZPRZBBBVNI-AAEUAGOBSA-N 0 3 293.342 1.127 20 70 CDIDHN C[C@@H]1CN(C[C@@H]2CCCN2CCOCC2CC2)C[C@@H](C)O1 ZINC000159635652 288191902 /nfs/dbraw/zinc/19/19/02/288191902.db2.gz LYMGYAVNSXCRIW-INMHGKMJSA-N 0 3 296.455 1.987 20 70 CDIDHN CC[C@@H](COC)NCC(=O)NCc1ccc(OC)cc1 ZINC000161012855 280153015 /nfs/dbraw/zinc/15/30/15/280153015.db2.gz KPJOPTHVWMWZQS-ZDUSSCGKSA-N 0 3 280.368 1.326 20 70 CDIDHN CC1CCN(C(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000160515002 520981771 /nfs/dbraw/zinc/98/17/71/520981771.db2.gz UVBXXAQTKYWERL-CYBMUJFWSA-N 0 3 253.390 1.864 20 70 CDIDHN CC[C@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778414 522635247 /nfs/dbraw/zinc/63/52/47/522635247.db2.gz NOPKNWOEAQCSLD-HZSPNIEDSA-N 0 3 262.353 1.760 20 70 CDIDHN CC[C@@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000160778293 522854804 /nfs/dbraw/zinc/85/48/04/522854804.db2.gz NOPKNWOEAQCSLD-BFHYXJOUSA-N 0 3 262.353 1.760 20 70 CDIDHN CC(C)(CNC(=O)[C@H]1CCCCO1)N1CCCCC1 ZINC000161409592 527155499 /nfs/dbraw/zinc/15/54/99/527155499.db2.gz FOSSSZIQZONWNU-CYBMUJFWSA-N 0 3 268.401 1.936 20 70 CDIDHN CN1C(=O)CC[C@H](NC/C=C\c2ccccc2)C1=O ZINC000217502326 536309642 /nfs/dbraw/zinc/30/96/42/536309642.db2.gz YOTYHDQJDWPNBT-UJZCVKTISA-N 0 3 258.321 1.437 20 70 CDIDHN CCN(C)CCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159590082 361737550 /nfs/dbraw/zinc/73/75/50/361737550.db2.gz LWTLUCYZHLGARK-STQMWFEESA-N 0 3 269.389 1.195 20 70 CDIDHN CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1)N(C)C ZINC000159627154 361758006 /nfs/dbraw/zinc/75/80/06/361758006.db2.gz HJRRYTBWZYFEMA-OLZOCXBDSA-N 0 3 283.416 1.090 20 70 CDIDHN C[C@H](CNC(=O)Cc1cccc(N)c1)N1CCCC1 ZINC000160718398 342073099 /nfs/dbraw/zinc/07/30/99/342073099.db2.gz DGCYQZXCCXQOMG-GFCCVEGCSA-N 0 3 261.369 1.412 20 70 CDIDHN COC[C@@H](Cc1ccccc1)NCC(C)(C)S(C)(=O)=O ZINC000159885062 539114990 /nfs/dbraw/zinc/11/49/90/539114990.db2.gz SGUMKWAUFKHKFD-CQSZACIVSA-N 0 3 299.436 1.657 20 70 CDIDHN C[C@H](C1CC1)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160716354 346221151 /nfs/dbraw/zinc/22/11/51/346221151.db2.gz SORLFPNESADPSQ-BXUZGUMPSA-N 0 3 265.401 1.911 20 70 CDIDHN CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000160554239 358738870 /nfs/dbraw/zinc/73/88/70/358738870.db2.gz PYTFGXDEPQTFMV-QWHCGFSZSA-N 0 3 284.400 1.709 20 70 CDIDHN COCCC1(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000161053542 358783436 /nfs/dbraw/zinc/78/34/36/358783436.db2.gz YVUAEEFVEZWSGQ-CQSZACIVSA-N 0 3 295.427 1.683 20 70 CDIDHN COc1ccccc1CNC(=O)NCCN(C)C ZINC000217313914 358994261 /nfs/dbraw/zinc/99/42/61/358994261.db2.gz BLJSDUZDCKEEPK-UHFFFAOYSA-N 0 3 251.330 1.056 20 70 CDIDHN CC(C)(C)c1ccc([C@@H](O)CNC(=O)C(C)(C)N)cc1 ZINC000160970868 360216704 /nfs/dbraw/zinc/21/67/04/360216704.db2.gz YGMRHGAHOBZKRO-ZDUSSCGKSA-N 0 3 278.396 1.871 20 70 CDIDHN Cc1nc(COc2ccc(NC(=O)[C@H](C)N)cc2)no1 ZINC000159474442 364213545 /nfs/dbraw/zinc/21/35/45/364213545.db2.gz YHENQCSSVJIQSE-QMMMGPOBSA-N 0 3 276.296 1.243 20 70 CDIDHN CSCC[C@H](N)C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503161 364221219 /nfs/dbraw/zinc/22/12/19/364221219.db2.gz NTZVSLBAIDOVQM-NSHDSACASA-N 0 3 291.380 1.491 20 70 CDIDHN C[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000159744969 364260941 /nfs/dbraw/zinc/26/09/41/364260941.db2.gz HCZHZWYXDHZXTF-CABZTGNLSA-N 0 3 295.770 1.251 20 70 CDIDHN O=C(Nc1cccc(CC(F)(F)F)c1)[C@H]1C[C@@H](O)CN1 ZINC000160803063 364410460 /nfs/dbraw/zinc/41/04/60/364410460.db2.gz OYXVNAQTRSAWFI-GHMZBOCLSA-N 0 3 288.269 1.453 20 70 CDIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@H](O)c1ccccc1 ZINC000161411380 364489830 /nfs/dbraw/zinc/48/98/30/364489830.db2.gz WMSQWAYPWVIRDC-SQWLQELKSA-N 0 3 290.407 1.957 20 70 CDIDHN CC[C@H](N)C(=O)NCc1ccccc1OC1CCC1 ZINC000161199509 364736093 /nfs/dbraw/zinc/73/60/93/364736093.db2.gz KHLWMJBXCPWXOE-ZDUSSCGKSA-N 0 3 262.353 1.971 20 70 CDIDHN COC[C@H](C)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000160784439 285354293 /nfs/dbraw/zinc/35/42/93/285354293.db2.gz QLFNYHHTVZAKKI-DZGCQCFKSA-N 0 3 276.380 1.975 20 70 CDIDHN CCc1ncnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1F ZINC000217998307 140164517 /nfs/dbraw/zinc/16/45/17/140164517.db2.gz NIAAEOVJXYZTND-GHMZBOCLSA-N 0 3 280.347 1.453 20 70 CDIDHN COCCN(C)CCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000159386577 292426359 /nfs/dbraw/zinc/42/63/59/292426359.db2.gz RIXMUBDOJBKLLE-RNODOKPDSA-N 0 3 298.452 1.653 20 70 CDIDHN CCC[C@@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000161445119 276028513 /nfs/dbraw/zinc/02/85/13/276028513.db2.gz NYZXUBSLQRHWSE-KGLIPLIRSA-N 0 3 268.401 1.794 20 70 CDIDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](C)N)cc1 ZINC000161099791 278852668 /nfs/dbraw/zinc/85/26/68/278852668.db2.gz IDBGWMBVYGWQFJ-QEJZJMRPSA-N 0 3 276.380 1.926 20 70 CDIDHN CCCN1CCCN(C(=O)c2cc(C)nn2C)CC1 ZINC000160371454 519851047 /nfs/dbraw/zinc/85/10/47/519851047.db2.gz DUYWDYOPZGBXIE-UHFFFAOYSA-N 0 3 264.373 1.286 20 70 CDIDHN CCOC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161403014 520679331 /nfs/dbraw/zinc/67/93/31/520679331.db2.gz WHAWOPYCLWZRFC-LBPRGKRZSA-N 0 3 292.383 1.357 20 70 CDIDHN CC1CCN(C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000160667927 520982176 /nfs/dbraw/zinc/98/21/76/520982176.db2.gz ZCSFFPJDOGDSRR-ZDUSSCGKSA-N 0 3 253.390 1.864 20 70 CDIDHN COC(=O)[C@@H](C)CN(C)Cc1cnc2ccccn12 ZINC000160414963 523502880 /nfs/dbraw/zinc/50/28/80/523502880.db2.gz MFDNWACZEPHNCM-NSHDSACASA-N 0 3 261.325 1.575 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000160959361 524823591 /nfs/dbraw/zinc/82/35/91/524823591.db2.gz ZXWIXALGCJMJBT-QMMMGPOBSA-N 0 3 299.758 1.093 20 70 CDIDHN CC(C)(C)c1ccc([C@H](O)CNC(=O)C(C)(C)N)cc1 ZINC000160970756 361836286 /nfs/dbraw/zinc/83/62/86/361836286.db2.gz YGMRHGAHOBZKRO-CYBMUJFWSA-N 0 3 278.396 1.871 20 70 CDIDHN C[C@@H](CNC(=O)C1(N)CC1)Sc1ccccc1 ZINC000161115762 361874299 /nfs/dbraw/zinc/87/42/99/361874299.db2.gz PAKIBGCUORBUAN-JTQLQIEISA-N 0 3 250.367 1.775 20 70 CDIDHN CN(C)c1ccc(CN2CCCC[C@H]2CCO)cn1 ZINC000159744291 539114693 /nfs/dbraw/zinc/11/46/93/539114693.db2.gz PYLZDXGPOFVYDG-AWEZNQCLSA-N 0 3 263.385 1.885 20 70 CDIDHN O=c1cc(CN2CCN(c3ccncc3)CC2)occ1O ZINC000161338086 539117520 /nfs/dbraw/zinc/11/75/20/539117520.db2.gz QLAZTXVDPIPUSL-UHFFFAOYSA-N 0 3 287.319 1.063 20 70 CDIDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C)cn3)C2)CC1 ZINC000160049996 362012849 /nfs/dbraw/zinc/01/28/49/362012849.db2.gz ARPSMIDEDVNVDL-QGZVFWFLSA-N 0 3 288.439 1.602 20 70 CDIDHN CCCCN(CCO)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160620992 346180020 /nfs/dbraw/zinc/18/00/20/346180020.db2.gz FQIGVKTZXAYAQQ-AWEZNQCLSA-N 0 3 283.416 1.275 20 70 CDIDHN CC[C@@H]1COCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160743047 346480038 /nfs/dbraw/zinc/48/00/38/346480038.db2.gz NOWVRQUNKUCGOA-UONOGXRCSA-N 0 3 281.400 1.291 20 70 CDIDHN CN(CCN1CCCC1)C(=O)NCCc1cscn1 ZINC000159617337 363067135 /nfs/dbraw/zinc/06/71/35/363067135.db2.gz JEHSYVVMCGYBBZ-UHFFFAOYSA-N 0 3 282.413 1.423 20 70 CDIDHN CC[C@H](C(=O)NCCNC(=O)CC1CCCC1)N(C)C ZINC000160049207 538846910 /nfs/dbraw/zinc/84/69/10/538846910.db2.gz OAYJLUZQEDXLEO-CYBMUJFWSA-N 0 3 283.416 1.139 20 70 CDIDHN CC(C)OCCNC[C@@H](O)COc1ccccc1F ZINC000160217520 482790201 /nfs/dbraw/zinc/79/02/01/482790201.db2.gz WRFDDBRTARAJSY-GFCCVEGCSA-N 0 3 271.332 1.580 20 70 CDIDHN O=C(c1cccc2c[nH]nc21)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159522803 237151254 /nfs/dbraw/zinc/15/12/54/237151254.db2.gz JVCIFZCPDQYKJK-TXEJJXNPSA-N 0 3 270.336 1.529 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccnc1Cl ZINC000160131352 237168780 /nfs/dbraw/zinc/16/87/80/237168780.db2.gz BNDYDJNHQXRHBJ-LLVKDONJSA-N 0 3 297.786 1.312 20 70 CDIDHN CC(=O)N(Cc1ccc(NC(=O)[C@@H](C)N)cc1)C1CC1 ZINC000160952611 360097258 /nfs/dbraw/zinc/09/72/58/360097258.db2.gz IYORQGKWUXMPBU-SNVBAGLBSA-N 0 3 275.352 1.483 20 70 CDIDHN CSCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000161088410 360643836 /nfs/dbraw/zinc/64/38/36/360643836.db2.gz YZCJMJHZLBNSRW-WFASDCNBSA-N 0 3 292.448 1.988 20 70 CDIDHN Cc1noc(C)c1CSCC(=O)N1CCCNCC1 ZINC000160815491 361167873 /nfs/dbraw/zinc/16/78/73/361167873.db2.gz QMTFXXUTNLALBV-UHFFFAOYSA-N 0 3 283.397 1.347 20 70 CDIDHN CCOc1cc(CNC(=O)[C@@H](C)N)ccc1OC ZINC000159587097 364238106 /nfs/dbraw/zinc/23/81/06/364238106.db2.gz HURPBDJFMFBLGH-SECBINFHSA-N 0 3 252.314 1.057 20 70 CDIDHN CC(C)[C@@H](N)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159709893 364254325 /nfs/dbraw/zinc/25/43/25/364254325.db2.gz LJWIWUGQXPAXJY-CYBMUJFWSA-N 0 3 295.358 1.045 20 70 CDIDHN CC1(C)C[C@@H](NC(=O)C2(N)CC2)c2ccccc2O1 ZINC000160340362 364337450 /nfs/dbraw/zinc/33/74/50/364337450.db2.gz QRKDTBMLXDWNKX-LLVKDONJSA-N 0 3 260.337 1.896 20 70 CDIDHN Cc1cnccc1CCNC(=O)NC[C@H]1CCCN1C ZINC000160032556 364297183 /nfs/dbraw/zinc/29/71/83/364297183.db2.gz VEYAXPPHMZREDR-CQSZACIVSA-N 0 3 276.384 1.326 20 70 CDIDHN CNCC(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000160552585 364372478 /nfs/dbraw/zinc/37/24/78/364372478.db2.gz KCGFPJWLSJRITG-LLVKDONJSA-N 0 3 250.342 1.524 20 70 CDIDHN C[C@H]1CCC[C@H](C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000160409155 364347920 /nfs/dbraw/zinc/34/79/20/364347920.db2.gz ZRLBLDNWBYNRDY-HOTGVXAUSA-N 0 3 295.471 1.957 20 70 CDIDHN CC[C@H](N)C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000160963008 364433838 /nfs/dbraw/zinc/43/38/38/364433838.db2.gz NASFZPRDAWIJEU-KBPBESRZSA-N 0 3 280.368 1.361 20 70 CDIDHN C[C@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160909645 364425587 /nfs/dbraw/zinc/42/55/87/364425587.db2.gz SYSRDNBFCQTLPN-JTQLQIEISA-N 0 3 250.317 1.912 20 70 CDIDHN CC[C@H](NCCN1C(=O)CNC1=O)c1ccc(F)cc1F ZINC000160916453 364426824 /nfs/dbraw/zinc/42/68/24/364426824.db2.gz KBBQRPFKYXNTME-LBPRGKRZSA-N 0 3 297.305 1.557 20 70 CDIDHN COC(=O)c1cc(NC(=O)CNCC2CC2)ccc1C ZINC000161490311 375599374 /nfs/dbraw/zinc/59/93/74/375599374.db2.gz PVKHVYVYPCZQFI-UHFFFAOYSA-N 0 3 276.336 1.720 20 70 CDIDHN CC(C)N(C[C@H](C)O)C(=O)NC1CCN(C2CC2)CC1 ZINC000159728970 390941176 /nfs/dbraw/zinc/94/11/76/390941176.db2.gz RUYSPXBIEMZJKO-LBPRGKRZSA-N 0 3 283.416 1.414 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000159836324 286906530 /nfs/dbraw/zinc/90/65/30/286906530.db2.gz XPRIDRFWKZHZEQ-BREBYQMCSA-N 0 3 282.771 1.976 20 70 CDIDHN CCCO[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000159472146 278845490 /nfs/dbraw/zinc/84/54/90/278845490.db2.gz CJBHXYIDYLGSMM-OLZOCXBDSA-N 0 3 256.390 1.777 20 70 CDIDHN COCC[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160578931 521915871 /nfs/dbraw/zinc/91/58/71/521915871.db2.gz MTELJNOFYWYPOQ-OZTPJHRESA-N 0 3 284.400 1.060 20 70 CDIDHN CO[C@H]1CCN(Cc2nc(C)ccc2[O-])[C@@H](C[NH3+])C1 ZINC000161032177 523998588 /nfs/dbraw/zinc/99/85/88/523998588.db2.gz MDCURBDNJHXMJU-NEPJUHHUSA-N 0 3 265.357 1.034 20 70 CDIDHN C[C@@H](NC(=O)[C@H](C)N)c1ccccc1-n1cccn1 ZINC000159589629 361738384 /nfs/dbraw/zinc/73/83/84/361738384.db2.gz HPFIEPQMFXAZDG-WDEREUQCSA-N 0 3 258.325 1.397 20 70 CDIDHN CC(=O)NC[C@H]1CCCN(CCOCC2CC2)C1 ZINC000159726603 361812768 /nfs/dbraw/zinc/81/27/68/361812768.db2.gz IWAWEKANLBTAOL-CQSZACIVSA-N 0 3 254.374 1.261 20 70 CDIDHN NC(=O)CC1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000159727534 361813012 /nfs/dbraw/zinc/81/30/12/361813012.db2.gz ZQSZYJGZOZVBLI-UHFFFAOYSA-N 0 3 298.390 1.960 20 70 CDIDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](C)N)c1 ZINC000161125181 361876973 /nfs/dbraw/zinc/87/69/73/361876973.db2.gz CTJQXMRDIXCDCO-VIFPVBQESA-N 0 3 285.369 1.124 20 70 CDIDHN CC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160723895 346249473 /nfs/dbraw/zinc/24/94/73/346249473.db2.gz FZILZLGTBFSWAC-AWEZNQCLSA-N 0 3 265.401 1.912 20 70 CDIDHN COCCN(C)CCCNC(=O)N[C@@H](C)CC(C)C ZINC000159635803 363091014 /nfs/dbraw/zinc/09/10/14/363091014.db2.gz HMHIXFXQCMERMV-ZDUSSCGKSA-N 0 3 273.421 1.689 20 70 CDIDHN COc1cccc2c1CC[C@@H]2NC(=O)C(C)S(C)(=O)=O ZINC000159955201 363499920 /nfs/dbraw/zinc/49/99/20/363499920.db2.gz MZQBIJHUNMWOAQ-SKDRFNHKSA-N 0 3 297.376 1.232 20 70 CDIDHN COCCOC[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160849324 358774295 /nfs/dbraw/zinc/77/42/95/358774295.db2.gz DGMCKMFGFSDRFX-CQSZACIVSA-N 0 3 289.379 1.819 20 70 CDIDHN CC[C@@H](C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000159444935 361700321 /nfs/dbraw/zinc/70/03/21/361700321.db2.gz KJGNDXBCZREBKH-UPJWGTAASA-N 0 3 254.374 1.497 20 70 CDIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1ncc(C(C)=O)s1 ZINC000159509466 361725524 /nfs/dbraw/zinc/72/55/24/361725524.db2.gz OGPUOWARFWNTIK-IMTBSYHQSA-N 0 3 255.343 1.658 20 70 CDIDHN CCN(CCNC(=O)N(C)C[C@H]1CCC[C@@H]1O)C1CC1 ZINC000160495493 363942799 /nfs/dbraw/zinc/94/27/99/363942799.db2.gz SYOFIPRSISXTMA-OCCSQVGLSA-N 0 3 283.416 1.273 20 70 CDIDHN CC(C)n1nccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000159914627 364280739 /nfs/dbraw/zinc/28/07/39/364280739.db2.gz GXTWRVKRDYPSLZ-LBPRGKRZSA-N 0 3 264.373 1.630 20 70 CDIDHN CCCN(CCc1cccc(F)c1)C(=O)[C@@H](C)N ZINC000160096423 364305843 /nfs/dbraw/zinc/30/58/43/364305843.db2.gz IDWMSROAZFNKBG-LLVKDONJSA-N 0 3 252.333 1.954 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1cccc(Cl)c1 ZINC000160718015 377095333 /nfs/dbraw/zinc/09/53/33/377095333.db2.gz JWASCHVDHKFZPO-UHFFFAOYSA-N 0 3 296.798 1.774 20 70 CDIDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C12CCC2 ZINC000160993761 286371305 /nfs/dbraw/zinc/37/13/05/286371305.db2.gz VQAYRFDHCQUDCS-QJPTWQEYSA-N 0 3 268.401 1.824 20 70 CDIDHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000161183575 264272760 /nfs/dbraw/zinc/27/27/60/264272760.db2.gz RFELXTNCKATBJX-QMTHXVAHSA-N 0 3 278.400 1.226 20 70 CDIDHN CCS(=O)(=O)c1ccc([C@@H](C)NCC(C)(C)O)cc1 ZINC000159466658 292759439 /nfs/dbraw/zinc/75/94/39/292759439.db2.gz XNAZNTSZMZUWBC-LLVKDONJSA-N 0 3 285.409 1.902 20 70 CDIDHN CCOC(=O)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000160833456 520834338 /nfs/dbraw/zinc/83/43/38/520834338.db2.gz XXVNKTXLEWRIGT-GFCCVEGCSA-N 0 3 292.379 1.820 20 70 CDIDHN C[C@@H](C(N)=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161239038 524306008 /nfs/dbraw/zinc/30/60/08/524306008.db2.gz NLJMDTXGPVAGHM-LBPRGKRZSA-N 0 3 286.379 1.815 20 70 CDIDHN CCOC(=O)CCCNC(=O)N1CCCN(CC)CC1 ZINC000159653229 361761487 /nfs/dbraw/zinc/76/14/87/361761487.db2.gz PWAOBXMOURQASA-UHFFFAOYSA-N 0 3 285.388 1.067 20 70 CDIDHN CCN1CCC(NC(=O)NCc2ncccc2F)CC1 ZINC000159577011 362930537 /nfs/dbraw/zinc/93/05/37/362930537.db2.gz RUZCZRHHVZRSMX-UHFFFAOYSA-N 0 3 280.347 1.504 20 70 CDIDHN C[C@@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159703217 364254299 /nfs/dbraw/zinc/25/42/99/364254299.db2.gz MFACBDMRQPBSHQ-SNVBAGLBSA-N 0 3 250.367 1.775 20 70 CDIDHN C[C@@H](NC(=O)[C@H]1CCCCN1)C(=O)Nc1ccccc1 ZINC000159892977 364278072 /nfs/dbraw/zinc/27/80/72/364278072.db2.gz CFDMQBHXOHCIRW-DGCLKSJQSA-N 0 3 275.352 1.272 20 70 CDIDHN CC(C)[C@@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161194486 364462578 /nfs/dbraw/zinc/46/25/78/364462578.db2.gz CAWCGOBIXBRKLN-MRVPVSSYSA-N 0 3 264.251 1.367 20 70 CDIDHN CCCN(CCO)Cc1ccc([S@](C)=O)cc1 ZINC000161231275 377494338 /nfs/dbraw/zinc/49/43/38/377494338.db2.gz AIRWNXZKACZPQB-QGZVFWFLSA-N 0 3 255.383 1.628 20 70 CDIDHN CC(C)OCCNC[C@H](O)COc1ccccc1F ZINC000160217384 482789889 /nfs/dbraw/zinc/78/98/89/482789889.db2.gz WRFDDBRTARAJSY-LBPRGKRZSA-N 0 3 271.332 1.580 20 70 CDIDHN CC(C)n1ccnc1CN1CCN(C(C)C)CC1 ZINC000160765481 520030618 /nfs/dbraw/zinc/03/06/18/520030618.db2.gz DMLAEQQNAOJCOT-UHFFFAOYSA-N 0 3 250.390 1.990 20 70 CDIDHN CCCCN(C)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000160486261 520408827 /nfs/dbraw/zinc/40/88/27/520408827.db2.gz CATAXAXUPATBHO-UHFFFAOYSA-N 0 3 289.383 1.430 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000217484571 535051908 /nfs/dbraw/zinc/05/19/08/535051908.db2.gz AQVCURMHMQLLRD-UHXUPSOCSA-N 0 3 283.416 1.027 20 70 CDIDHN CO[C@]1(CN[C@H]2CCCc3cccnc32)CCOC1 ZINC000160126521 539115395 /nfs/dbraw/zinc/11/53/95/539115395.db2.gz FRELQUAHAVZJOE-ZFWWWQNUSA-N 0 3 262.353 1.854 20 70 CDIDHN COc1cc(NC(=O)C[C@@H]2CNCCO2)ccc1F ZINC000160340717 362414278 /nfs/dbraw/zinc/41/42/78/362414278.db2.gz WTXGRDGHBFFTCQ-SNVBAGLBSA-N 0 3 268.288 1.151 20 70 CDIDHN CCOCCN(CC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160684658 346194772 /nfs/dbraw/zinc/19/47/72/346194772.db2.gz CQAHWZVOKSOSFS-AWEZNQCLSA-N 0 3 283.416 1.539 20 70 CDIDHN C[C@@H](CN1CCCCC1)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000159897925 363427014 /nfs/dbraw/zinc/42/70/14/363427014.db2.gz MPFQGHRUKFBVQG-UONOGXRCSA-N 0 3 299.484 1.414 20 70 CDIDHN Cc1cccc([C@H](C)CNC(=O)C[C@H]2CNCCO2)c1 ZINC000160736236 237184704 /nfs/dbraw/zinc/18/47/04/237184704.db2.gz YYHPWTUDOKXWLS-HIFRSBDPSA-N 0 3 276.380 1.593 20 70 CDIDHN CCc1nc(CN(C)C2CCC(CO)CC2)n[nH]1 ZINC000159396736 361681657 /nfs/dbraw/zinc/68/16/57/361681657.db2.gz XLHVDDATFZLJHC-UHFFFAOYSA-N 0 3 252.362 1.350 20 70 CDIDHN C[C@@H](N)C(=O)NCCCCCOC1CCCCC1 ZINC000159533798 361732389 /nfs/dbraw/zinc/73/23/89/361732389.db2.gz CTVSGUIPNALEKA-GFCCVEGCSA-N 0 3 256.390 1.969 20 70 CDIDHN COCCN(C)CCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000159386672 364197073 /nfs/dbraw/zinc/19/70/73/364197073.db2.gz RIXMUBDOJBKLLE-ZUOKHONESA-N 0 3 298.452 1.653 20 70 CDIDHN CCN1CCC(NC(=O)NC[C@H](C)SC)CC1 ZINC000159578220 364236796 /nfs/dbraw/zinc/23/67/96/364236796.db2.gz POIXKQAPUHDVOO-JTQLQIEISA-N 0 3 259.419 1.521 20 70 CDIDHN CC(C)c1ncc(C(=O)NC[C@H]2CCN(C)C2)s1 ZINC000159543681 364230160 /nfs/dbraw/zinc/23/01/60/364230160.db2.gz WVJQRKVLSUMFKB-SNVBAGLBSA-N 0 3 267.398 1.948 20 70 CDIDHN CC(=O)Nc1cccc(CN2CCCC[C@@H]2CO)c1 ZINC000159961665 364287257 /nfs/dbraw/zinc/28/72/57/364287257.db2.gz RZGAOCZFLRZFAH-OAHLLOKOSA-N 0 3 262.353 1.992 20 70 CDIDHN CCN(C)C(=O)CNC[C@H](O)COc1cc(C)cc(C)c1 ZINC000218277922 373743080 /nfs/dbraw/zinc/74/30/80/373743080.db2.gz UMKXAQIDVGPCJG-AWEZNQCLSA-N 0 3 294.395 1.111 20 70 CDIDHN CC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1c(C)noc1C ZINC000160750656 377112579 /nfs/dbraw/zinc/11/25/79/377112579.db2.gz CHXYYBPTDBTEED-NXEZZACHSA-N 0 3 288.369 1.292 20 70 CDIDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)c(C)n1 ZINC000160545087 377084445 /nfs/dbraw/zinc/08/44/45/377084445.db2.gz IAZHUFFLIQBBTO-UHFFFAOYSA-N 0 3 291.395 1.133 20 70 CDIDHN CC(C)c1ccc(N(C)C(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000161459268 392722215 /nfs/dbraw/zinc/72/22/15/392722215.db2.gz PIAAWFSUNZSCMD-ZIAGYGMSSA-N 0 3 262.353 1.496 20 70 CDIDHN CN(C)[C@H](CNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000161099804 276862433 /nfs/dbraw/zinc/86/24/33/276862433.db2.gz AFRNDDJDLKFGCP-JKSUJKDBSA-N 0 3 290.407 1.845 20 70 CDIDHN CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1cnn(C)c1 ZINC000160315270 280961315 /nfs/dbraw/zinc/96/13/15/280961315.db2.gz VAUJCMSIPPFRIM-OLZOCXBDSA-N 0 3 274.372 1.376 20 70 CDIDHN Cc1cc(C(=O)N2CCCNCC2)nc2ccccc12 ZINC000160825043 526245172 /nfs/dbraw/zinc/24/51/72/526245172.db2.gz AJWGVPYXLUSCJW-UHFFFAOYSA-N 0 3 269.348 1.979 20 70 CDIDHN CC(C)c1noc2ncc(C(=O)N3CCCNCC3)cc21 ZINC000160868237 528514223 /nfs/dbraw/zinc/51/42/23/528514223.db2.gz DQXSFMMVHJAGMM-UHFFFAOYSA-N 0 3 288.351 1.782 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159639661 361758798 /nfs/dbraw/zinc/75/87/98/361758798.db2.gz SKLQLKNIFYAIPQ-UPJWGTAASA-N 0 3 269.389 1.288 20 70 CDIDHN CC[C@H](C)NC(=O)CCNC(=O)N1CCCN(CC)CC1 ZINC000159709807 361805758 /nfs/dbraw/zinc/80/57/58/361805758.db2.gz RHJUILKOLVMYQX-ZDUSSCGKSA-N 0 3 298.431 1.028 20 70 CDIDHN COc1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1OC ZINC000159469679 362325698 /nfs/dbraw/zinc/32/56/98/362325698.db2.gz JOWWDJLBKHVCED-YPMHNXCESA-N 0 3 265.353 1.907 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161220244 237197020 /nfs/dbraw/zinc/19/70/20/237197020.db2.gz KPEGCQXMYIGYDL-HUUCEWRRSA-N 0 3 296.411 1.315 20 70 CDIDHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161065544 360757855 /nfs/dbraw/zinc/75/78/55/360757855.db2.gz PBSGEYXRGWSXID-RRFJBIMHSA-N 0 3 280.412 1.840 20 70 CDIDHN C[C@H](NCCN1C(=O)CNC1=O)c1cc2ccccc2o1 ZINC000159773428 364263900 /nfs/dbraw/zinc/26/39/00/364263900.db2.gz JNUQBBDGULTYAS-JTQLQIEISA-N 0 3 287.319 1.635 20 70 CDIDHN C[C@H]1CCCN(CCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159542451 364229957 /nfs/dbraw/zinc/22/99/57/364229957.db2.gz HGCZMBVHPAZGPO-ZFWWWQNUSA-N 0 3 276.380 1.568 20 70 CDIDHN CSCC[C@@H](N)C(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000159897304 364279463 /nfs/dbraw/zinc/27/94/63/364279463.db2.gz XEMZEXPIZQWOCO-ZYHUDNBSSA-N 0 3 295.408 1.210 20 70 CDIDHN CCc1cnc(CNC(=O)N2CCCN(CC)CC2)s1 ZINC000159925280 364281912 /nfs/dbraw/zinc/28/19/12/364281912.db2.gz OXGSHHPVVXCYSP-UHFFFAOYSA-N 0 3 296.440 1.943 20 70 CDIDHN CC(C)[C@@H](NCC(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000161474596 364499475 /nfs/dbraw/zinc/49/94/75/364499475.db2.gz GXIAVEOVDJMVBY-MRXNPFEDSA-N 0 3 292.379 1.833 20 70 CDIDHN COc1ccc([O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000218074312 367259778 /nfs/dbraw/zinc/25/97/78/367259778.db2.gz KZYDEAJZBPEFGC-KGLIPLIRSA-N 0 3 290.363 1.757 20 70 CDIDHN COc1ccc([O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000218074312 367259780 /nfs/dbraw/zinc/25/97/80/367259780.db2.gz KZYDEAJZBPEFGC-KGLIPLIRSA-N 0 3 290.363 1.757 20 70 CDIDHN CC(C)(N)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161449544 375370948 /nfs/dbraw/zinc/37/09/48/375370948.db2.gz MQAIKVFIKWJQHF-LBPRGKRZSA-N 0 3 292.354 1.984 20 70 CDIDHN C[C@@H](C(=O)NCC1(CCO)CCC1)N1[C@H](C)CC[C@@H]1C ZINC000160142700 377050266 /nfs/dbraw/zinc/05/02/66/377050266.db2.gz IJZMJVXMSXQPTP-MJBXVCDLSA-N 0 3 282.428 1.917 20 70 CDIDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)c(C)c1 ZINC000160698211 377102312 /nfs/dbraw/zinc/10/23/12/377102312.db2.gz PREJOIDYEQPBLR-UHFFFAOYSA-N 0 3 290.407 1.738 20 70 CDIDHN CCO[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)C)C12CCCC2 ZINC000161114523 286533316 /nfs/dbraw/zinc/53/33/16/286533316.db2.gz CNYITJCEMWUEMP-AVGNSLFASA-N 0 3 268.401 1.824 20 70 CDIDHN C[C@@H](N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161096486 278304416 /nfs/dbraw/zinc/30/44/16/278304416.db2.gz JFNJVOBFRSCYKY-KKFJDGPESA-N 0 3 250.317 1.913 20 70 CDIDHN Cc1cc(NC(=O)c2ccc(CN(C)C)cc2)c[nH]c1=O ZINC000159457765 292759781 /nfs/dbraw/zinc/75/97/81/292759781.db2.gz PDFWMGJGMVCQCY-UHFFFAOYSA-N 0 3 285.347 1.997 20 70 CDIDHN O=C([C@@H]1CCCO1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000160970271 292797238 /nfs/dbraw/zinc/79/72/38/292797238.db2.gz DLORRIRAFPFDTJ-GJZGRUSLSA-N 0 3 278.396 1.666 20 70 CDIDHN CCOCCCN(CCO)Cc1ccccc1OC ZINC000160485018 521704503 /nfs/dbraw/zinc/70/45/03/521704503.db2.gz LNUHHIWZUANRGP-UHFFFAOYSA-N 0 3 267.369 1.916 20 70 CDIDHN COC(=O)c1cc(CN(C)C[C@@H]2CCC[C@@H]2O)oc1C ZINC000159846603 361878626 /nfs/dbraw/zinc/87/86/26/361878626.db2.gz RDZQQFOTIAZRNE-FZMZJTMJSA-N 0 3 281.352 1.967 20 70 CDIDHN CCCC[C@@H](COC)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000161164790 361898246 /nfs/dbraw/zinc/89/82/46/361898246.db2.gz NJZUUUJAHFEVMJ-GJZGRUSLSA-N 0 3 278.396 1.878 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000159997746 361997558 /nfs/dbraw/zinc/99/75/58/361997558.db2.gz XYNQYIJVQIAHTI-CYBMUJFWSA-N 0 3 283.416 1.539 20 70 CDIDHN C[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)N1CCCC1 ZINC000161014843 362480700 /nfs/dbraw/zinc/48/07/00/362480700.db2.gz KCINDOPIAKLRFV-ZFWWWQNUSA-N 0 3 275.396 1.157 20 70 CDIDHN C[C@H]1CN(CCCn2c3ccccc3[nH]c2=O)CC[C@@H]1O ZINC000159420006 358506505 /nfs/dbraw/zinc/50/65/05/358506505.db2.gz RYNQZRBZYXVDAU-WFASDCNBSA-N 0 3 289.379 1.422 20 70 CDIDHN CCCc1cc(SCCN(C)C)n2ncnc2n1 ZINC000159425090 358519407 /nfs/dbraw/zinc/51/94/07/358519407.db2.gz UURWKJLBJIAAJE-UHFFFAOYSA-N 0 3 265.386 1.731 20 70 CDIDHN COc1cccc(CNC(=O)[C@H](C)N)c1OC1CCCC1 ZINC000159856221 364275262 /nfs/dbraw/zinc/27/52/62/364275262.db2.gz CSYIQBZXYWTBGP-NSHDSACASA-N 0 3 292.379 1.980 20 70 CDIDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(OC)nn1 ZINC000159767329 364262248 /nfs/dbraw/zinc/26/22/48/364262248.db2.gz WQPIILKNYWCKMP-LLVKDONJSA-N 0 3 278.356 1.089 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](COC)c2ccco2)CC1 ZINC000159939493 364283153 /nfs/dbraw/zinc/28/31/53/364283153.db2.gz SMLJNSDWWZLHSG-CYBMUJFWSA-N 0 3 295.383 1.704 20 70 CDIDHN C[C@@H]1CCC[C@H](C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000160408982 364347197 /nfs/dbraw/zinc/34/71/97/364347197.db2.gz ZRLBLDNWBYNRDY-CVEARBPZSA-N 0 3 295.471 1.957 20 70 CDIDHN CC1CCN(C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000160668042 391168978 /nfs/dbraw/zinc/16/89/78/391168978.db2.gz ZCSFFPJDOGDSRR-CYBMUJFWSA-N 0 3 253.390 1.864 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000161028768 295537478 /nfs/dbraw/zinc/53/74/78/295537478.db2.gz ZXTSMVDZADWEMW-BFHYXJOUSA-N 0 3 266.385 1.450 20 70 CDIDHN CCc1nnc(CN[C@@H](CCO)C2CCCCC2)[nH]1 ZINC000160556858 522348626 /nfs/dbraw/zinc/34/86/26/522348626.db2.gz DYBHTWJFICAZSH-LBPRGKRZSA-N 0 3 266.389 1.788 20 70 CDIDHN CCc1nnc(C[NH2+][C@@H](CCO)C2CCCCC2)[n-]1 ZINC000160556858 522348634 /nfs/dbraw/zinc/34/86/34/522348634.db2.gz DYBHTWJFICAZSH-LBPRGKRZSA-N 0 3 266.389 1.788 20 70 CDIDHN Cc1occc1CN(C)CCCN1CCN(C)CC1 ZINC000161474339 526823409 /nfs/dbraw/zinc/82/34/09/526823409.db2.gz ABTOFWWJVWOISW-UHFFFAOYSA-N 0 3 265.401 1.657 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000159728499 361815120 /nfs/dbraw/zinc/81/51/20/361815120.db2.gz ZCFMXZMFCCKODY-ZDUSSCGKSA-N 0 3 293.415 1.249 20 70 CDIDHN CCN1CCCN(C(=O)NCC2(CC)CC2)CC1 ZINC000159953767 361963997 /nfs/dbraw/zinc/96/39/97/361963997.db2.gz XIXUIGIRHFHJNH-UHFFFAOYSA-N 0 3 253.390 1.914 20 70 CDIDHN O=C(CN1CCN(c2ccncc2)CC1)NC1CCCC1 ZINC000161298176 539117414 /nfs/dbraw/zinc/11/74/14/539117414.db2.gz PVIIMFCEOXBXDB-UHFFFAOYSA-N 0 3 288.395 1.262 20 70 CDIDHN COc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1OC ZINC000159469807 362324860 /nfs/dbraw/zinc/32/48/60/362324860.db2.gz JOWWDJLBKHVCED-AAEUAGOBSA-N 0 3 265.353 1.907 20 70 CDIDHN CCc1nn(C)c(CC)c1CNC[C@H]1CCCO1 ZINC000159573442 362922148 /nfs/dbraw/zinc/92/21/48/362922148.db2.gz ADHNVUUCEQLHTJ-LLVKDONJSA-N 0 3 251.374 1.814 20 70 CDIDHN O=S1(=O)CC[C@H](NC2CCN(c3ccccc3)CC2)C1 ZINC000161322465 362930589 /nfs/dbraw/zinc/93/05/89/362930589.db2.gz KXWVPDKPYYKHMF-AWEZNQCLSA-N 0 3 294.420 1.432 20 70 CDIDHN CS[C@H](C)CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000160007591 363571637 /nfs/dbraw/zinc/57/16/37/363571637.db2.gz GUVCNHIOTVSMGF-MXWKQRLJSA-N 0 3 271.430 1.662 20 70 CDIDHN COC[C@@H](C)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000160175720 538847836 /nfs/dbraw/zinc/84/78/36/538847836.db2.gz QWMLDMHKMBELSD-YPMHNXCESA-N 0 3 254.374 1.545 20 70 CDIDHN CCCn1nccc1CNCCC(=O)N1CCCCC1 ZINC000160205004 482788063 /nfs/dbraw/zinc/78/80/63/482788063.db2.gz DEVXEJVTYZRCLM-UHFFFAOYSA-N 0 3 278.400 1.785 20 70 CDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000160548321 363984958 /nfs/dbraw/zinc/98/49/58/363984958.db2.gz FXRSMWZKBRUIDR-KGLIPLIRSA-N 0 3 297.443 1.434 20 70 CDIDHN CCN1CCCN(C(=O)NCCc2nccs2)CC1 ZINC000159784929 364265427 /nfs/dbraw/zinc/26/54/27/364265427.db2.gz KWRRUOWOROPVQN-UHFFFAOYSA-N 0 3 282.413 1.423 20 70 CDIDHN C[C@@H]1C[C@@H](N(C)S(C)(=O)=O)CCN1Cc1ccccc1 ZINC000159993411 364291389 /nfs/dbraw/zinc/29/13/89/364291389.db2.gz BSZDJFIDTSVULS-HIFRSBDPSA-N 0 3 296.436 1.931 20 70 CDIDHN Cc1nc(CCNCc2cccc(C(N)=O)c2)cs1 ZINC000218099032 367261194 /nfs/dbraw/zinc/26/11/94/367261194.db2.gz OWYZLTJYUPPMDQ-UHFFFAOYSA-N 0 3 275.377 1.883 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161504196 375649083 /nfs/dbraw/zinc/64/90/83/375649083.db2.gz CSZZAHBVFZQOFB-CABZTGNLSA-N 0 3 250.298 1.140 20 70 CDIDHN CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160612716 391553735 /nfs/dbraw/zinc/55/37/35/391553735.db2.gz XTUHSQYGYXOUDX-ILXRZTDVSA-N 0 3 295.427 1.680 20 70 CDIDHN COC[C@H](NCC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000161003203 292798162 /nfs/dbraw/zinc/79/81/62/292798162.db2.gz BCZKNJITQJYECF-HNNXBMFYSA-N 0 3 294.395 1.572 20 70 CDIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ncccc1[O-] ZINC000160787464 520647441 /nfs/dbraw/zinc/64/74/41/520647441.db2.gz AKKIFGGCPGESGD-ISOBSLSZSA-N 0 3 291.351 1.258 20 70 CDIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ncccc1O ZINC000160787464 520647448 /nfs/dbraw/zinc/64/74/48/520647448.db2.gz AKKIFGGCPGESGD-ISOBSLSZSA-N 0 3 291.351 1.258 20 70 CDIDHN C[C@@H](C(=O)N1CCCNCC1)c1ccccc1F ZINC000160870260 524111696 /nfs/dbraw/zinc/11/16/96/524111696.db2.gz MKIWHAHAUFQRHW-LLVKDONJSA-N 0 3 250.317 1.751 20 70 CDIDHN CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCOC1 ZINC000159453996 527941420 /nfs/dbraw/zinc/94/14/20/527941420.db2.gz DSSINIAEIBNZDN-LBPRGKRZSA-N 0 3 257.378 1.005 20 70 CDIDHN CN(Cc1cccn1C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000161108390 539117295 /nfs/dbraw/zinc/11/72/95/539117295.db2.gz KLZCHSFHESBHHU-AWEZNQCLSA-N 0 3 290.411 1.651 20 70 CDIDHN COC(=O)CCN(C[C@H]1CCC(C)(C)O1)C[C@@H]1CCCO1 ZINC000160827816 362183971 /nfs/dbraw/zinc/18/39/71/362183971.db2.gz OUQPEYHSJRVFMA-UONOGXRCSA-N 0 3 299.411 1.988 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161243937 362186052 /nfs/dbraw/zinc/18/60/52/362186052.db2.gz HWCLCLXFSSFXBM-SCVCMEIPSA-N 0 3 250.317 1.877 20 70 CDIDHN O=C([C@H]1CCCO1)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000160970143 362357444 /nfs/dbraw/zinc/35/74/44/362357444.db2.gz DLORRIRAFPFDTJ-LSDHHAIUSA-N 0 3 278.396 1.666 20 70 CDIDHN C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160716480 346221014 /nfs/dbraw/zinc/22/10/14/346221014.db2.gz SORLFPNESADPSQ-FZMZJTMJSA-N 0 3 265.401 1.911 20 70 CDIDHN CN(CCNC(=O)OC(C)(C)C)C[C@H]1CCC[C@@H]1O ZINC000159646247 363115772 /nfs/dbraw/zinc/11/57/72/363115772.db2.gz FPMHRQIMXAIJSY-NEPJUHHUSA-N 0 3 272.389 1.604 20 70 CDIDHN OC[C@H]1CCCCN1C[C@H](O)COc1ccccc1Cl ZINC000159858820 359278403 /nfs/dbraw/zinc/27/84/03/359278403.db2.gz LNXCZCPPMZHPKT-OLZOCXBDSA-N 0 3 299.798 1.927 20 70 CDIDHN CSCC[C@H](N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000160990934 360683729 /nfs/dbraw/zinc/68/37/29/360683729.db2.gz RMBJHQMHLTUNEW-QMMMGPOBSA-N 0 3 278.328 1.167 20 70 CDIDHN C[C@@H](N)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000159542541 361732959 /nfs/dbraw/zinc/73/29/59/361732959.db2.gz WDOBCFAVHADSTE-LLVKDONJSA-N 0 3 281.400 1.021 20 70 CDIDHN CC1(C)[C@H](NC(=O)C2(N)CCCCC2)[C@H]2CCO[C@@H]21 ZINC000161108913 363959056 /nfs/dbraw/zinc/95/90/56/363959056.db2.gz HNOXNJQBEFIHOH-UTUOFQBUSA-N 0 3 266.385 1.578 20 70 CDIDHN CSCC[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1C ZINC000159844430 364273733 /nfs/dbraw/zinc/27/37/33/364273733.db2.gz KYWDUUHNUWTFDP-CHWSQXEVSA-N 0 3 282.409 1.225 20 70 CDIDHN CSCC[C@@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160644953 364388568 /nfs/dbraw/zinc/38/85/68/364388568.db2.gz VJTZEQJRIQDGKC-SECBINFHSA-N 0 3 285.413 1.669 20 70 CDIDHN O=S1(=O)CC[C@H](CNCc2cccc3cc[nH]c32)C1 ZINC000218087575 367261061 /nfs/dbraw/zinc/26/10/61/367261061.db2.gz VGYWHNXGKZFCJO-LLVKDONJSA-N 0 3 278.377 1.692 20 70 CDIDHN Cc1cccc(C(=O)NCC2CCN(CCO)CC2)c1C ZINC000160697873 377102205 /nfs/dbraw/zinc/10/22/05/377102205.db2.gz CJSWXBFAOXJAGX-UHFFFAOYSA-N 0 3 290.407 1.738 20 70 CDIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(=O)n1C ZINC000160926747 377138769 /nfs/dbraw/zinc/13/87/69/377138769.db2.gz HAUFHEWQXWBFIB-CHWSQXEVSA-N 0 3 291.395 1.236 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000160003374 391737921 /nfs/dbraw/zinc/73/79/21/391737921.db2.gz OFAQHUWDESKNRA-ZDUSSCGKSA-N 0 3 291.399 1.004 20 70 CDIDHN CC(C)C[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000161477025 275599306 /nfs/dbraw/zinc/59/93/06/275599306.db2.gz AZWOAQIRDHCZQU-TZMCWYRMSA-N 0 3 256.365 1.973 20 70 CDIDHN C[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161082376 298944698 /nfs/dbraw/zinc/94/46/98/298944698.db2.gz LAUAIKCTWACRTE-YFKPBYRVSA-N 0 3 278.196 1.677 20 70 CDIDHN CCCN(CC[C@H]1CCCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161387447 521670410 /nfs/dbraw/zinc/67/04/10/521670410.db2.gz XLVYWVSLQDYAOA-ZIAGYGMSSA-N 0 3 288.457 1.370 20 70 CDIDHN COC[C@@H](NCC(=O)NCc1ccc(OC)cc1)C1CC1 ZINC000161017939 522346807 /nfs/dbraw/zinc/34/68/07/522346807.db2.gz NASGYBQRKJLMCC-OAHLLOKOSA-N 0 3 292.379 1.326 20 70 CDIDHN C[C@H](C(=O)N1CCCNCC1)c1ccccc1F ZINC000160870111 525968212 /nfs/dbraw/zinc/96/82/12/525968212.db2.gz MKIWHAHAUFQRHW-NSHDSACASA-N 0 3 250.317 1.751 20 70 CDIDHN CC(C)S(=O)(=O)CCCN(C[C@@H]1CCOC1)C1CC1 ZINC000160851243 528296584 /nfs/dbraw/zinc/29/65/84/528296584.db2.gz DDUWAPQUQCOSHX-ZDUSSCGKSA-N 0 3 289.441 1.701 20 70 CDIDHN CC(C)(CNCc1coc2ccccc12)NS(C)(=O)=O ZINC000159823725 539114757 /nfs/dbraw/zinc/11/47/57/539114757.db2.gz PFEFBVLHIQYDJO-UHFFFAOYSA-N 0 3 296.392 1.850 20 70 CDIDHN C[C@H]1CCCC[C@H]1OCCN(C)CC(C)(CO)CO ZINC000159564467 362425499 /nfs/dbraw/zinc/42/54/99/362425499.db2.gz HIQBLKBKHKHDNM-UONOGXRCSA-N 0 3 273.417 1.504 20 70 CDIDHN COc1cc(CCC(=O)NCCN(C)C)ccc1Cl ZINC000160974490 362580521 /nfs/dbraw/zinc/58/05/21/362580521.db2.gz YKWVWBGOJZVRES-UHFFFAOYSA-N 0 3 284.787 1.959 20 70 CDIDHN CSCC[C@@H](N)C(=O)NCc1cc(C(C)C)no1 ZINC000160150085 345607529 /nfs/dbraw/zinc/60/75/29/345607529.db2.gz WIRTXIIWRLZKQY-SNVBAGLBSA-N 0 3 271.386 1.495 20 70 CDIDHN C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160716211 346220942 /nfs/dbraw/zinc/22/09/42/346220942.db2.gz SORLFPNESADPSQ-SMDDNHRTSA-N 0 3 265.401 1.911 20 70 CDIDHN COCCN(CC(C)C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160762262 346579635 /nfs/dbraw/zinc/57/96/35/346579635.db2.gz WSYOZCKNRMFISA-HNNXBMFYSA-N 0 3 297.443 1.785 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H]2C=CCCC2)CC1 ZINC000159976632 362926011 /nfs/dbraw/zinc/92/60/11/362926011.db2.gz AMKFHVHSKPZJQB-ZDUSSCGKSA-N 0 3 251.374 1.832 20 70 CDIDHN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc2[nH]cnc21 ZINC000159636418 363090743 /nfs/dbraw/zinc/09/07/43/363090743.db2.gz DQWHNGKEGYLFFH-AWEZNQCLSA-N 0 3 286.379 1.975 20 70 CDIDHN CN(CCNC(=O)OC(C)(C)C)C[C@@H]1CCC[C@@H]1O ZINC000159646120 363116293 /nfs/dbraw/zinc/11/62/93/363116293.db2.gz FPMHRQIMXAIJSY-RYUDHWBXSA-N 0 3 272.389 1.604 20 70 CDIDHN CSCC[C@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000159453997 361703176 /nfs/dbraw/zinc/70/31/76/361703176.db2.gz RMALHZXAUIQSRG-ZDUSSCGKSA-N 0 3 284.400 1.955 20 70 CDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000160549004 363986600 /nfs/dbraw/zinc/98/66/00/363986600.db2.gz XFIJPGSELSEPQZ-STQMWFEESA-N 0 3 297.443 1.467 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160645476 364118571 /nfs/dbraw/zinc/11/85/71/364118571.db2.gz DESGUIAFMSTAQQ-GJZGRUSLSA-N 0 3 295.427 1.681 20 70 CDIDHN CCC(CC)(CNCC(=O)NCc1ccco1)C(=O)OC ZINC000159660896 364247160 /nfs/dbraw/zinc/24/71/60/364247160.db2.gz ZQXVSNWZIQOBED-UHFFFAOYSA-N 0 3 296.367 1.465 20 70 CDIDHN CC(C)Oc1ccc([C@H](O)CNC(=O)[C@H](N)C(C)C)cc1 ZINC000160977392 364435839 /nfs/dbraw/zinc/43/58/39/364435839.db2.gz GKRUKRMOBROJBQ-HUUCEWRRSA-N 0 3 294.395 1.607 20 70 CDIDHN CC(=O)N(C)c1cccc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000161388858 364488354 /nfs/dbraw/zinc/48/83/54/364488354.db2.gz PIAJITCARSWVFB-ZDUSSCGKSA-N 0 3 263.341 1.591 20 70 CDIDHN Cc1cccc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160687641 377102287 /nfs/dbraw/zinc/10/22/87/377102287.db2.gz WWILHBIMXFQRHK-UHFFFAOYSA-N 0 3 276.380 1.429 20 70 CDIDHN Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000161511137 377699194 /nfs/dbraw/zinc/69/91/94/377699194.db2.gz QDOWYDAKRWLUFH-LLVKDONJSA-N 0 3 263.341 1.167 20 70 CDIDHN COc1ccc2c(c1)[C@@H](N[C@H](C)CC(N)=O)CCO2 ZINC000161374085 390959282 /nfs/dbraw/zinc/95/92/82/390959282.db2.gz VBOMIKNYNUHUGT-SKDRFNHKSA-N 0 3 264.325 1.372 20 70 CDIDHN Cc1cccc(C)c1OCCCNC(=O)NCCN(C)C ZINC000217298270 140164036 /nfs/dbraw/zinc/16/40/36/140164036.db2.gz WMIRMHWBGQFZFD-UHFFFAOYSA-N 0 3 293.411 1.933 20 70 CDIDHN CC1CCN(C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000160651045 276194274 /nfs/dbraw/zinc/19/42/74/276194274.db2.gz ONKUBDKPHBKHKW-CYBMUJFWSA-N 0 3 253.390 1.864 20 70 CDIDHN CC(C)C[C@H](N)C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000160846235 279177820 /nfs/dbraw/zinc/17/78/20/279177820.db2.gz ANYDORKVDLOOFS-OUCADQQQSA-N 0 3 256.390 1.417 20 70 CDIDHN CC[C@@H]1CCCCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000159371394 362316038 /nfs/dbraw/zinc/31/60/38/362316038.db2.gz QAFVEMYRLPFZAF-KGLIPLIRSA-N 0 3 268.401 1.936 20 70 CDIDHN C[C@H](CNCc1cncc(Br)c1)N(C)C ZINC000160570488 362445359 /nfs/dbraw/zinc/44/53/59/362445359.db2.gz VNBFPEHWXUJJEV-SECBINFHSA-N 0 3 272.190 1.884 20 70 CDIDHN CCOCCCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159594925 363038796 /nfs/dbraw/zinc/03/87/96/363038796.db2.gz ZNSCNUGPXSMOGL-IHRRRGAJSA-N 0 3 286.416 1.011 20 70 CDIDHN CCCN1CCCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC000160375359 358602490 /nfs/dbraw/zinc/60/24/90/358602490.db2.gz JMKAZTYQVSJVHO-CABCVRRESA-N 0 3 298.427 1.515 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)o1 ZINC000160430403 237178091 /nfs/dbraw/zinc/17/80/91/237178091.db2.gz VKMIXVGRHXPDJC-GFCCVEGCSA-N 0 3 266.341 1.165 20 70 CDIDHN C[C@@H](N)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160569541 359652109 /nfs/dbraw/zinc/65/21/09/359652109.db2.gz ZQABAOBVFJXDJC-GHMZBOCLSA-N 0 3 258.325 1.397 20 70 CDIDHN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H](C)N ZINC000160831120 361255832 /nfs/dbraw/zinc/25/58/32/361255832.db2.gz TUVZNLOISCRUEA-SMDDNHRTSA-N 0 3 282.359 1.691 20 70 CDIDHN CNC(=O)[C@@H]1CCCN(Cc2c(C)nc3ccccn32)C1 ZINC000160343535 363819759 /nfs/dbraw/zinc/81/97/59/363819759.db2.gz MYOFNKWTJOGYDV-CYBMUJFWSA-N 0 3 286.379 1.601 20 70 CDIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)NC1CCN(C)CC1 ZINC000159567751 364235350 /nfs/dbraw/zinc/23/53/50/364235350.db2.gz VKXHTEJATFWNDF-JTQLQIEISA-N 0 3 294.399 1.788 20 70 CDIDHN Cc1c(CNC(=O)NCCN2CCC[C@@H](C)C2)cnn1C ZINC000160222914 364321266 /nfs/dbraw/zinc/32/12/66/364321266.db2.gz GSUQNPZZAUERRC-GFCCVEGCSA-N 0 3 293.415 1.260 20 70 CDIDHN CN1CCC(NC(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000160246169 364324498 /nfs/dbraw/zinc/32/44/98/364324498.db2.gz HAGNLHHDLRBUSW-UHFFFAOYSA-N 0 3 285.351 1.091 20 70 CDIDHN CCn1nc(C)c(NC(=O)CNC[C@H]2CCCO2)c1C ZINC000160321160 364334010 /nfs/dbraw/zinc/33/40/10/364334010.db2.gz KTUUJNBJJJGBQW-GFCCVEGCSA-N 0 3 280.372 1.227 20 70 CDIDHN COc1ccc(C(=O)NC[C@@H](CC(C)C)N(C)C)nn1 ZINC000160043994 364299400 /nfs/dbraw/zinc/29/94/00/364299400.db2.gz DGOADKUDBZWARJ-LLVKDONJSA-N 0 3 280.372 1.191 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)cc1 ZINC000160485143 364360171 /nfs/dbraw/zinc/36/01/71/364360171.db2.gz CQEBHRGWTHLNFF-CQSZACIVSA-N 0 3 296.798 1.917 20 70 CDIDHN C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1cccs1 ZINC000160542335 364370976 /nfs/dbraw/zinc/37/09/76/364370976.db2.gz ZLRBKUUBRYIHMU-QWHCGFSZSA-N 0 3 296.436 1.815 20 70 CDIDHN COC[C@H](Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000161313383 364475829 /nfs/dbraw/zinc/47/58/29/364475829.db2.gz MQYNBJCKVYFDKO-KBPBESRZSA-N 0 3 283.393 1.021 20 70 CDIDHN CO[C@]1(CNCC(=O)Nc2cccc(F)c2)CCOC1 ZINC000160273432 370085143 /nfs/dbraw/zinc/08/51/43/370085143.db2.gz OVEJVKBGXGQLMQ-AWEZNQCLSA-N 0 3 282.315 1.159 20 70 CDIDHN C[C@@H](N)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161505205 375649575 /nfs/dbraw/zinc/64/95/75/375649575.db2.gz CSZZAHBVFZQOFB-SKDRFNHKSA-N 0 3 250.298 1.140 20 70 CDIDHN O=C(CC1CCCC1)NCC1CCN(CCO)CC1 ZINC000160630041 377100021 /nfs/dbraw/zinc/10/00/21/377100021.db2.gz AHFVNGVVNGOZTG-UHFFFAOYSA-N 0 3 268.401 1.387 20 70 CDIDHN CCCN(CCO)Cc1cnc(N2CCOCC2)s1 ZINC000161201755 377477004 /nfs/dbraw/zinc/47/70/04/377477004.db2.gz NYLNMEPOEITPKL-UHFFFAOYSA-N 0 3 285.413 1.184 20 70 CDIDHN COCCC1(CNC(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000161165175 390953550 /nfs/dbraw/zinc/95/35/50/390953550.db2.gz HGIGOPZRTFWRRN-ZDUSSCGKSA-N 0 3 283.416 1.539 20 70 CDIDHN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCCNCC1)C2 ZINC000160881186 292002574 /nfs/dbraw/zinc/00/25/74/292002574.db2.gz LOILXOACVAQPOO-OAHLLOKOSA-N 0 3 274.364 1.429 20 70 CDIDHN C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159836462 274234599 /nfs/dbraw/zinc/23/45/99/274234599.db2.gz XPRIDRFWKZHZEQ-CWSCBRNRSA-N 0 3 282.771 1.976 20 70 CDIDHN CC1CCN(C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000160681782 276194378 /nfs/dbraw/zinc/19/43/78/276194378.db2.gz IECBAWKEVRXDCT-ZDUSSCGKSA-N 0 3 251.374 1.618 20 70 CDIDHN CCN(CC)CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159888752 279090928 /nfs/dbraw/zinc/09/09/28/279090928.db2.gz CFQFXJXDBSAAKV-CYBMUJFWSA-N 0 3 268.401 1.936 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161244272 279393004 /nfs/dbraw/zinc/39/30/04/279393004.db2.gz HWCLCLXFSSFXBM-JBLDHEPKSA-N 0 3 250.317 1.877 20 70 CDIDHN Cc1ccc([C@H]2CSCCN2C(=O)[C@@H](C)N)cc1 ZINC000160771033 281003309 /nfs/dbraw/zinc/00/33/09/281003309.db2.gz TWVVWORUAFJEAV-DGCLKSJQSA-N 0 3 264.394 1.959 20 70 CDIDHN CC(C)OCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000160378654 482796661 /nfs/dbraw/zinc/79/66/61/482796661.db2.gz WOBFHJMEUQIALT-AWEZNQCLSA-N 0 3 262.353 1.415 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000161022227 519817547 /nfs/dbraw/zinc/81/75/47/519817547.db2.gz TYGZJYNOYVNVMO-WLTAIBSBSA-N 0 3 268.307 1.920 20 70 CDIDHN CCCN1CCCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000160382999 519848654 /nfs/dbraw/zinc/84/86/54/519848654.db2.gz SWCKNQNQVDFQMM-UHFFFAOYSA-N 0 3 297.443 1.627 20 70 CDIDHN CCCN1CCCN(C(=O)CCOC(C)C)CC1 ZINC000160399491 519848899 /nfs/dbraw/zinc/84/88/99/519848899.db2.gz LCHNZIIBDCDHIN-UHFFFAOYSA-N 0 3 256.390 1.746 20 70 CDIDHN CCC(CC)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161032867 362500462 /nfs/dbraw/zinc/50/04/62/362500462.db2.gz DNUGJOCNVUPKAB-AWEZNQCLSA-N 0 3 268.401 1.746 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H]2CCC[C@@H]2C)CC1 ZINC000159826763 363355840 /nfs/dbraw/zinc/35/58/40/363355840.db2.gz VXMLTFDWRCCDID-STQMWFEESA-N 0 3 253.390 1.912 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCSC1 ZINC000159427141 358521133 /nfs/dbraw/zinc/52/11/33/358521133.db2.gz NGWGFHRUMDQZLT-LBPRGKRZSA-N 0 3 273.446 1.864 20 70 CDIDHN CCCN1CCCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC000160375483 358602615 /nfs/dbraw/zinc/60/26/15/358602615.db2.gz JMKAZTYQVSJVHO-GJZGRUSLSA-N 0 3 298.427 1.515 20 70 CDIDHN COc1ccc(CCNC(=O)[C@@H](C)N)c(Cl)c1 ZINC000160600646 359695673 /nfs/dbraw/zinc/69/56/73/359695673.db2.gz MAFADJXSQLGEPC-MRVPVSSYSA-N 0 3 256.733 1.355 20 70 CDIDHN CN1CCN(C(=O)C2C3CC4CC(C3)CC2C4)[C@H](CN)C1 ZINC000160208871 363757800 /nfs/dbraw/zinc/75/78/00/363757800.db2.gz LYQOWFZPQJAFTO-BAPHQMLMSA-N 0 3 291.439 1.160 20 70 CDIDHN CCCCOCCCNC(=O)N1CCCN(CC)CC1 ZINC000159516737 361725181 /nfs/dbraw/zinc/72/51/81/361725181.db2.gz JUFPZZQSQHFQEE-UHFFFAOYSA-N 0 3 285.432 1.930 20 70 CDIDHN COC(=O)c1ccc(CN(C)C[C@H]2CCC[C@@H]2O)o1 ZINC000159561549 364235657 /nfs/dbraw/zinc/23/56/57/364235657.db2.gz OZNMGRZGWKGCFR-PWSUYJOCSA-N 0 3 267.325 1.659 20 70 CDIDHN CN(C)[C@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159703620 364255022 /nfs/dbraw/zinc/25/50/22/364255022.db2.gz PQPHNIPLGMSMNM-HUUCEWRRSA-N 0 3 276.380 1.975 20 70 CDIDHN Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000159714003 364256147 /nfs/dbraw/zinc/25/61/47/364256147.db2.gz AJVKBRPDFLZRCB-MFKMUULPSA-N 0 3 294.399 1.788 20 70 CDIDHN CCCN(C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000159781377 364264284 /nfs/dbraw/zinc/26/42/84/364264284.db2.gz NGUMRDMHAKOBFK-GFCCVEGCSA-N 0 3 250.346 1.257 20 70 CDIDHN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CN)cc1 ZINC000160268767 364328010 /nfs/dbraw/zinc/32/80/10/364328010.db2.gz UCHWJKXYMXDGRS-CQSZACIVSA-N 0 3 274.364 1.908 20 70 CDIDHN COc1cc(F)c([C@H](C)NC(=O)[C@H](C)N)cc1OC ZINC000159962283 364287851 /nfs/dbraw/zinc/28/78/51/364287851.db2.gz CEMLASOCGWZGNT-YUMQZZPRSA-N 0 3 270.304 1.367 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1cccs1 ZINC000159984414 364288488 /nfs/dbraw/zinc/28/84/88/364288488.db2.gz QQZCHLLKRIZXBD-LLVKDONJSA-N 0 3 268.382 1.325 20 70 CDIDHN CC[C@@H](C)[C@@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000160354955 391508212 /nfs/dbraw/zinc/50/82/12/391508212.db2.gz RCISVOYNUALGMK-DGCLKSJQSA-N 0 3 256.390 1.635 20 70 CDIDHN CC[C@@H](C(=O)N1CCC(N2CCCCC2=O)CC1)N(C)C ZINC000161279711 280068710 /nfs/dbraw/zinc/06/87/10/280068710.db2.gz AJEFBNATXNRADO-AWEZNQCLSA-N 0 3 295.427 1.330 20 70 CDIDHN CS[C@H](C)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000159617062 292763370 /nfs/dbraw/zinc/76/33/70/292763370.db2.gz MQQJDGZMLDGLHY-VXGBXAGGSA-N 0 3 273.446 1.912 20 70 CDIDHN CC[C@@H](C)c1cc(C(=O)NC[C@H]2CCN(C)C2)on1 ZINC000161313760 522420786 /nfs/dbraw/zinc/42/07/86/522420786.db2.gz AJTXDMGIEUVHRN-GHMZBOCLSA-N 0 3 265.357 1.870 20 70 CDIDHN CC1(C)CCCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000161044640 528926794 /nfs/dbraw/zinc/92/67/94/528926794.db2.gz GLNVJWQJJVZKDY-ZDUSSCGKSA-N 0 3 268.401 1.794 20 70 CDIDHN CNCC(=O)NCc1ccc(OC)cc1OC1CCCC1 ZINC000160899872 361738214 /nfs/dbraw/zinc/73/82/14/361738214.db2.gz FBKFEGXOYOUXTD-UHFFFAOYSA-N 0 3 292.379 1.852 20 70 CDIDHN O=C(CCCn1cccc1)N[C@H]1CCN(CC2CC2)C1 ZINC000159460603 539114176 /nfs/dbraw/zinc/11/41/76/539114176.db2.gz SYLGNQBHDLSTDC-HNNXBMFYSA-N 0 3 275.396 1.869 20 70 CDIDHN C[C@@H]1CCCC[C@H]1OCCN(C)CC(C)(CO)CO ZINC000159564312 362425246 /nfs/dbraw/zinc/42/52/46/362425246.db2.gz HIQBLKBKHKHDNM-ZIAGYGMSSA-N 0 3 273.417 1.504 20 70 CDIDHN CCC(CC)(CNCC(=O)NCC(F)(F)F)C(=O)OC ZINC000159680358 363182780 /nfs/dbraw/zinc/18/27/80/363182780.db2.gz KHRMBTAMVHIGMU-UHFFFAOYSA-N 0 3 298.305 1.234 20 70 CDIDHN CS[C@@H](C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000159808310 363329612 /nfs/dbraw/zinc/32/96/12/363329612.db2.gz JLEPRCIHMJGSPG-WDEREUQCSA-N 0 3 259.419 1.379 20 70 CDIDHN CNC(=O)C(C)(C)CNCc1ccccc1NC(C)=O ZINC000160650172 356327326 /nfs/dbraw/zinc/32/73/26/356327326.db2.gz CAMMAEZKBQENRU-UHFFFAOYSA-N 0 3 277.368 1.507 20 70 CDIDHN O=C(NCCc1cc(F)ccc1F)[C@H]1CCCCN1 ZINC000159667536 237155222 /nfs/dbraw/zinc/15/52/22/237155222.db2.gz ZLRGWRPIJQMWHF-CYBMUJFWSA-N 0 3 268.307 1.766 20 70 CDIDHN CO[C@@H]1CCN(Cc2nc(C)ccc2[O-])[C@@H](C[NH3+])C1 ZINC000161032294 360511333 /nfs/dbraw/zinc/51/13/33/360511333.db2.gz MDCURBDNJHXMJU-VXGBXAGGSA-N 0 3 265.357 1.034 20 70 CDIDHN CC[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)N(C)C ZINC000160356291 363833197 /nfs/dbraw/zinc/83/31/97/363833197.db2.gz XSAQWVNGLZURDG-AWEZNQCLSA-N 0 3 299.459 1.143 20 70 CDIDHN C[C@@H](NCCCN1CCCC1=O)c1cnn(C)c1 ZINC000159517784 364226383 /nfs/dbraw/zinc/22/63/83/364226383.db2.gz XEWCZOQHLILMKO-LLVKDONJSA-N 0 3 250.346 1.083 20 70 CDIDHN NC[C@H]1CCCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC000160348489 364337251 /nfs/dbraw/zinc/33/72/51/364337251.db2.gz SIUHUVJICRGZCY-LLVKDONJSA-N 0 3 296.317 1.877 20 70 CDIDHN COc1ccccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160672562 364392438 /nfs/dbraw/zinc/39/24/38/364392438.db2.gz ICPGRIKKJBDVAT-CYBMUJFWSA-N 0 3 292.379 1.272 20 70 CDIDHN COC(=O)N(C)Cc1ccc(NC(=O)C(C)(C)N)cc1 ZINC000160950358 364432094 /nfs/dbraw/zinc/43/20/94/364432094.db2.gz RHJZKTYEZXUZJD-UHFFFAOYSA-N 0 3 279.340 1.561 20 70 CDIDHN CCN1CCC[C@@H]1CNC(=O)NCCc1ccncc1C ZINC000161501558 364503797 /nfs/dbraw/zinc/50/37/97/364503797.db2.gz IIFMYFWGFBOTKD-OAHLLOKOSA-N 0 3 290.411 1.716 20 70 CDIDHN CCN(CCNC(=O)c1ccc(C(N)=S)cc1)C1CC1 ZINC000218143020 367261247 /nfs/dbraw/zinc/26/12/47/367261247.db2.gz MIRSILDWIDAQRP-UHFFFAOYSA-N 0 3 291.420 1.535 20 70 CDIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000160881334 376373777 /nfs/dbraw/zinc/37/37/77/376373777.db2.gz BGLMLPNVVSZSQP-IIAWOOMASA-N 0 3 297.443 1.663 20 70 CDIDHN CCN1CCC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000161284514 377202724 /nfs/dbraw/zinc/20/27/24/377202724.db2.gz UBSNWKKVXBLTBR-ZDUSSCGKSA-N 0 3 285.432 1.567 20 70 CDIDHN C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccsc1 ZINC000160566209 533270045 /nfs/dbraw/zinc/27/00/45/533270045.db2.gz WFVWEZARQWQMOD-TZMCWYRMSA-N 0 3 296.436 1.815 20 70 CDIDHN Cc1ccc([C@@H]2CSCCN2C(=O)[C@H](C)N)cc1 ZINC000160770074 391205053 /nfs/dbraw/zinc/20/50/53/391205053.db2.gz TWVVWORUAFJEAV-AAEUAGOBSA-N 0 3 264.394 1.959 20 70 CDIDHN COC(C)(C)C[C@@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000160965384 292061692 /nfs/dbraw/zinc/06/16/92/292061692.db2.gz GMDLSZOGWDHLDI-GFCCVEGCSA-N 0 3 290.407 1.803 20 70 CDIDHN CC1CCN(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000160681649 276194359 /nfs/dbraw/zinc/19/43/59/276194359.db2.gz IECBAWKEVRXDCT-CYBMUJFWSA-N 0 3 251.374 1.618 20 70 CDIDHN CC[C@H](N)C(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000159542973 292761186 /nfs/dbraw/zinc/76/11/86/292761186.db2.gz UXJGCYDXPQLADT-AWEZNQCLSA-N 0 3 295.427 1.411 20 70 CDIDHN CCc1ccccc1CNC(=O)[C@@]1(F)CCNC1 ZINC000160372454 521837488 /nfs/dbraw/zinc/83/74/88/521837488.db2.gz UUTBWFNLQAJZMW-CQSZACIVSA-N 0 3 250.317 1.567 20 70 CDIDHN CC[C@@H](O)CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000160798257 522982707 /nfs/dbraw/zinc/98/27/07/522982707.db2.gz PDMPFRNQMZLDET-OAHLLOKOSA-N 0 3 293.411 1.708 20 70 CDIDHN CC(C)CN(CC(N)=O)C(=O)c1ccc(CN(C)C)cc1 ZINC000159658698 363137678 /nfs/dbraw/zinc/13/76/78/363137678.db2.gz DOVKLPCKGTWYLR-UHFFFAOYSA-N 0 3 291.395 1.332 20 70 CDIDHN Cc1cscc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160588408 188481978 /nfs/dbraw/zinc/48/19/78/188481978.db2.gz KYIWVYZXLFOZRS-GFCCVEGCSA-N 0 3 282.409 1.633 20 70 CDIDHN Cc1cc(C(=O)NC[C@H]2CCCN2CC(C)C)no1 ZINC000160389625 364344073 /nfs/dbraw/zinc/34/40/73/364344073.db2.gz SLVPXBHJEUJYKW-GFCCVEGCSA-N 0 3 265.357 1.833 20 70 CDIDHN CC[C@H](C)CS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000161008964 364438392 /nfs/dbraw/zinc/43/83/92/364438392.db2.gz VWGRNXMNUYHVGL-NSHDSACASA-N 0 3 283.397 1.714 20 70 CDIDHN CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCN(C)C1 ZINC000161306774 364476394 /nfs/dbraw/zinc/47/63/94/364476394.db2.gz SMWHAMGITCJGKI-JTQLQIEISA-N 0 3 298.818 1.878 20 70 CDIDHN CC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161460349 364496605 /nfs/dbraw/zinc/49/66/05/364496605.db2.gz VLQFZBJHMHGDGR-RYUDHWBXSA-N 0 3 295.770 1.299 20 70 CDIDHN Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)N)[C@@H](C)CO1 ZINC000161468468 373757207 /nfs/dbraw/zinc/75/72/07/373757207.db2.gz PLRGZSFEYXQAFO-OUCADQQQSA-N 0 3 262.353 1.631 20 70 CDIDHN CSc1nc(C2CC2)nc(C)c1C(=O)NCCN(C)C ZINC000161060035 377127775 /nfs/dbraw/zinc/12/77/75/377127775.db2.gz ARYAIPSUPWQGTB-UHFFFAOYSA-N 0 3 294.424 1.676 20 70 CDIDHN C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)N1CCC(C)CC1 ZINC000161211059 377482088 /nfs/dbraw/zinc/48/20/88/377482088.db2.gz SIWKWSURBAEUBH-ZBFHGGJFSA-N 0 3 297.443 1.663 20 70 CDIDHN COCCN(C)CCN[C@H]1CCCc2nc(C)sc21 ZINC000159399400 390939780 /nfs/dbraw/zinc/93/97/80/390939780.db2.gz HMUVDEBMECSNOD-LBPRGKRZSA-N 0 3 283.441 1.997 20 70 CDIDHN CC1(C)C[C@H](NC(=O)C2(N)CC2)c2ccccc2O1 ZINC000160340247 273588042 /nfs/dbraw/zinc/58/80/42/273588042.db2.gz QRKDTBMLXDWNKX-NSHDSACASA-N 0 3 260.337 1.896 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161244070 279392916 /nfs/dbraw/zinc/39/29/16/279392916.db2.gz HWCLCLXFSSFXBM-NHCYSSNCSA-N 0 3 250.317 1.877 20 70 CDIDHN CC(=O)N1CC[C@H](NC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000159731519 292767503 /nfs/dbraw/zinc/76/75/03/292767503.db2.gz DVDMEOWTLMNOKW-HNNXBMFYSA-N 0 3 289.379 1.099 20 70 CDIDHN O=C(/C=C/c1nc2ccccc2o1)N1CCCNCC1 ZINC000160867246 292795541 /nfs/dbraw/zinc/79/55/41/292795541.db2.gz FUTGAOFDIHCJQD-VOTSOKGWSA-N 0 3 271.320 1.663 20 70 CDIDHN CNc1ccccc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000161304790 292803809 /nfs/dbraw/zinc/80/38/09/292803809.db2.gz OCXHSVCUBHNBQH-GFCCVEGCSA-N 0 3 261.369 1.942 20 70 CDIDHN CCCN1CCCN(C(=O)COCC2CC2)CC1 ZINC000160398129 519848775 /nfs/dbraw/zinc/84/87/75/519848775.db2.gz ZRSLQJPESNLYFG-UHFFFAOYSA-N 0 3 254.374 1.357 20 70 CDIDHN CCCCN(C)CCNC(=O)N[C@@H](CC)COC ZINC000159808341 535221533 /nfs/dbraw/zinc/22/15/33/535221533.db2.gz IFFVKHLZRZGOTE-LBPRGKRZSA-N 0 3 259.394 1.443 20 70 CDIDHN O=C(Nc1cnn(CC(F)(F)F)c1)[C@]1(F)CCNC1 ZINC000159702917 361803341 /nfs/dbraw/zinc/80/33/41/361803341.db2.gz JVTIPEGAOXMMQZ-VIFPVBQESA-N 0 3 280.225 1.086 20 70 CDIDHN CCN1CCCN(C(=O)NCC2(CCOC)CCC2)CC1 ZINC000159989309 361991621 /nfs/dbraw/zinc/99/16/21/361991621.db2.gz LYMWVGYCGMSSEN-UHFFFAOYSA-N 0 3 297.443 1.930 20 70 CDIDHN CCOCCC1(CNC(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000159800082 539114736 /nfs/dbraw/zinc/11/47/36/539114736.db2.gz LHABZFXWEZKSNJ-AWEZNQCLSA-N 0 3 297.443 1.834 20 70 CDIDHN CO[C@@]1(CN[C@@H]2CCCc3cccnc32)CCOC1 ZINC000160126398 539115407 /nfs/dbraw/zinc/11/54/07/539115407.db2.gz FRELQUAHAVZJOE-UKRRQHHQSA-N 0 3 262.353 1.854 20 70 CDIDHN CN(C)[C@@H](CNC(=O)c1cc[nH]c(=O)c1)Cc1ccccc1 ZINC000159630027 363086109 /nfs/dbraw/zinc/08/61/09/363086109.db2.gz LHSGMJIITIDLHR-OAHLLOKOSA-N 0 3 299.374 1.278 20 70 CDIDHN CN(CC(=O)NCCN1CCCCCC1)[C@H]1CCSC1 ZINC000159868179 363385832 /nfs/dbraw/zinc/38/58/32/363385832.db2.gz NRLDVFGBKJQGDF-AWEZNQCLSA-N 0 3 299.484 1.416 20 70 CDIDHN COCCC1(CNC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000159774397 237158221 /nfs/dbraw/zinc/15/82/21/237158221.db2.gz AKPVTYPOCMUDGA-UHFFFAOYSA-N 0 3 285.432 1.785 20 70 CDIDHN CC(C(=O)N(C)C1C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC000160114417 363674947 /nfs/dbraw/zinc/67/49/47/363674947.db2.gz NNAXVXCRPBNWND-UIBFTYAWSA-N 0 3 299.436 1.703 20 70 CDIDHN COCCN(C)CCN[C@H](C)c1cnn(C(C)C)c1 ZINC000159409204 361692681 /nfs/dbraw/zinc/69/26/81/361692681.db2.gz LSSHTXMLOXQDTE-CYBMUJFWSA-N 0 3 268.405 1.693 20 70 CDIDHN CNC(=O)[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160342968 363819190 /nfs/dbraw/zinc/81/91/90/363819190.db2.gz OZVHELWGKFMAFC-GFCCVEGCSA-N 0 3 272.352 1.292 20 70 CDIDHN CCC[C@H](N)C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503984 364222585 /nfs/dbraw/zinc/22/25/85/364222585.db2.gz DWAGWBXQIDHJQU-NSHDSACASA-N 0 3 259.313 1.538 20 70 CDIDHN Cc1ccccc1[C@@H](C)NCCN1C(=O)CNC1=O ZINC000159619574 364242063 /nfs/dbraw/zinc/24/20/63/364242063.db2.gz KXDYZYXGRXGPHH-LLVKDONJSA-N 0 3 261.325 1.197 20 70 CDIDHN Cc1noc([C@H]2CCCN(CCn3ccnc3)C2)n1 ZINC000159773552 364264212 /nfs/dbraw/zinc/26/42/12/364264212.db2.gz XKVUMWBHQJKEER-LBPRGKRZSA-N 0 3 261.329 1.454 20 70 CDIDHN Cc1ccoc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160222312 364321080 /nfs/dbraw/zinc/32/10/80/364321080.db2.gz GMHYOLMVZACMNJ-GFCCVEGCSA-N 0 3 266.341 1.165 20 70 CDIDHN CNCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000160476697 364359022 /nfs/dbraw/zinc/35/90/22/364359022.db2.gz CHCQPCMTDKNHCW-SNVBAGLBSA-N 0 3 259.309 1.738 20 70 CDIDHN CCc1nn(C)c(Cl)c1C(=O)NCCN1CCCCC1 ZINC000160486143 364360683 /nfs/dbraw/zinc/36/06/83/364360683.db2.gz KITOPJATUNLNDB-UHFFFAOYSA-N 0 3 298.818 1.852 20 70 CDIDHN CCN(CCNC(=O)NCCc1ccncc1C)C1CC1 ZINC000160494749 364363664 /nfs/dbraw/zinc/36/36/64/364363664.db2.gz XXOHBFOXLNYVIN-UHFFFAOYSA-N 0 3 290.411 1.716 20 70 CDIDHN CCC[C@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160641097 364388157 /nfs/dbraw/zinc/38/81/57/364388157.db2.gz OHWHFPHVDWKUPN-VIFPVBQESA-N 0 3 253.346 1.716 20 70 CDIDHN CCN(C)CCNC(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000160405964 364346843 /nfs/dbraw/zinc/34/68/43/364346843.db2.gz BVKFSRQVQKQYAY-UHFFFAOYSA-N 0 3 298.774 1.050 20 70 CDIDHN CN(Cc1cc2ccccc2o1)C(=O)C[C@H]1CNCCO1 ZINC000161415985 364490423 /nfs/dbraw/zinc/49/04/23/364490423.db2.gz KMEMCTIWVJTNPI-ZDUSSCGKSA-N 0 3 288.347 1.770 20 70 CDIDHN CNC(=O)c1ccc(CNC[C@](C)(O)CSC)cc1 ZINC000217842315 367259757 /nfs/dbraw/zinc/25/97/57/367259757.db2.gz QZLFULRJTRJLRV-AWEZNQCLSA-N 0 3 282.409 1.250 20 70 CDIDHN O=C([C@@H]1Cc2ccccc2CN1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159615836 284533885 /nfs/dbraw/zinc/53/38/85/284533885.db2.gz GMXLVYRZQCKJBJ-XHSDSOJGSA-N 0 3 285.391 1.054 20 70 CDIDHN C[C@@H](N)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000160114667 375730900 /nfs/dbraw/zinc/73/09/00/375730900.db2.gz LVSACRMKLOVRKB-SNVBAGLBSA-N 0 3 250.317 1.706 20 70 CDIDHN CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1CCN(C)C1 ZINC000161306905 390653938 /nfs/dbraw/zinc/65/39/38/390653938.db2.gz SMWHAMGITCJGKI-SNVBAGLBSA-N 0 3 298.818 1.878 20 70 CDIDHN Cc1cc(NC(=O)[C@@H](C(C)C)N(C)C)c[nH]c1=O ZINC000159580813 292762219 /nfs/dbraw/zinc/76/22/19/292762219.db2.gz NORPOGPCPYZMCT-LLVKDONJSA-N 0 3 251.330 1.208 20 70 CDIDHN Cc1nc2ccccn2c1CNC1(C(N)=O)CCCCC1 ZINC000160975749 292797538 /nfs/dbraw/zinc/79/75/38/292797538.db2.gz XWIDENHMBBYZEN-UHFFFAOYSA-N 0 3 286.379 1.921 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161022101 519817341 /nfs/dbraw/zinc/81/73/41/519817341.db2.gz TYGZJYNOYVNVMO-DYLAAIIWSA-N 0 3 268.307 1.920 20 70 CDIDHN CN(CCN1CCCC1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160366905 522824525 /nfs/dbraw/zinc/82/45/25/522824525.db2.gz CFEVKQLNNQJJED-GJZGRUSLSA-N 0 3 295.427 1.681 20 70 CDIDHN COCCC1(C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000161465658 523006068 /nfs/dbraw/zinc/00/60/68/523006068.db2.gz AOPQWCJDFSPPQD-ZDUSSCGKSA-N 0 3 266.385 1.500 20 70 CDIDHN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@]1(F)CCNC1 ZINC000160452601 527249084 /nfs/dbraw/zinc/24/90/84/527249084.db2.gz BDRXRVUZSLLWCS-UKRRQHHQSA-N 0 3 294.326 1.494 20 70 CDIDHN CCN1CCCN(C(=O)NCCc2cscn2)CC1 ZINC000160013674 529024215 /nfs/dbraw/zinc/02/42/15/529024215.db2.gz YGQXJJCWYARYTB-UHFFFAOYSA-N 0 3 282.413 1.423 20 70 CDIDHN CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)N(C)C ZINC000159626849 361757930 /nfs/dbraw/zinc/75/79/30/361757930.db2.gz HJRRYTBWZYFEMA-STQMWFEESA-N 0 3 283.416 1.090 20 70 CDIDHN CC[C@H](C(=O)N1CCC[C@H](NC(=O)C(C)C)C1)N(C)C ZINC000159627006 361758034 /nfs/dbraw/zinc/75/80/34/361758034.db2.gz HJRRYTBWZYFEMA-QWHCGFSZSA-N 0 3 283.416 1.090 20 70 CDIDHN CN(C)[C@@H](CNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000161099940 282178826 /nfs/dbraw/zinc/17/88/26/282178826.db2.gz AFRNDDJDLKFGCP-HZPDHXFCSA-N 0 3 290.407 1.845 20 70 CDIDHN CCOCCCN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159399125 362319415 /nfs/dbraw/zinc/31/94/15/362319415.db2.gz QOAWCKCXLDWXHD-ZDUSSCGKSA-N 0 3 292.445 1.207 20 70 CDIDHN CN(Cc1cc(=O)n2ccccc2n1)C[C@@H]1CCC[C@@H]1O ZINC000159764604 362514918 /nfs/dbraw/zinc/51/49/18/362514918.db2.gz FLZQFHGKQGNREQ-JSGCOSHPSA-N 0 3 287.363 1.287 20 70 CDIDHN CCCC[C@@H](COC)NC(=O)[C@H](N)Cc1ccccc1 ZINC000161165568 362707458 /nfs/dbraw/zinc/70/74/58/362707458.db2.gz NJZUUUJAHFEVMJ-LSDHHAIUSA-N 0 3 278.396 1.878 20 70 CDIDHN CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000160977034 360463092 /nfs/dbraw/zinc/46/30/92/360463092.db2.gz GKRUKRMOBROJBQ-GJZGRUSLSA-N 0 3 294.395 1.607 20 70 CDIDHN Cn1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000160233468 363788420 /nfs/dbraw/zinc/78/84/20/363788420.db2.gz XGXVGIHXBFJIHG-LBPRGKRZSA-N 0 3 266.308 1.471 20 70 CDIDHN COc1cc(C)cc(CNC(=O)NC[C@H]2CCCN2C)c1 ZINC000159712641 364256098 /nfs/dbraw/zinc/25/60/98/364256098.db2.gz LGIZWUGSGXWYRK-CQSZACIVSA-N 0 3 291.395 1.897 20 70 CDIDHN CN(C)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160747877 364405827 /nfs/dbraw/zinc/40/58/27/364405827.db2.gz YNJGFZLQBHWODC-GJZGRUSLSA-N 0 3 291.395 1.768 20 70 CDIDHN CO[C@@H](CNC(=O)C1(N)CC1)c1cccc(Cl)c1 ZINC000161407333 364540760 /nfs/dbraw/zinc/54/07/60/364540760.db2.gz YUIYLUSNNHGLLH-NSHDSACASA-N 0 3 268.744 1.635 20 70 CDIDHN CCOC(=O)[C@H](c1ccccc1)N1CCCN(C)CC1 ZINC000217682521 367257761 /nfs/dbraw/zinc/25/77/61/367257761.db2.gz PPMZRXQAKXAPBM-HNNXBMFYSA-N 0 3 276.380 1.928 20 70 CDIDHN C[C@H](C(=O)NCC1CCN(CCO)CC1)c1ccsc1 ZINC000160539101 377084518 /nfs/dbraw/zinc/08/45/18/377084518.db2.gz RLOFGFATTQDQIC-LBPRGKRZSA-N 0 3 296.436 1.672 20 70 CDIDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)o1 ZINC000160552566 377086761 /nfs/dbraw/zinc/08/67/61/377086761.db2.gz WPCPSLLPIIAXAE-UHFFFAOYSA-N 0 3 266.341 1.022 20 70 CDIDHN CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2CNCCO2)C12CCCC2 ZINC000159555266 286345325 /nfs/dbraw/zinc/34/53/25/286345325.db2.gz OPNUJJYQRFLDDJ-HZSPNIEDSA-N 0 3 296.411 1.219 20 70 CDIDHN CC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159941026 276630460 /nfs/dbraw/zinc/63/04/60/276630460.db2.gz KQOHZPRZBBBVNI-WCQYABFASA-N 0 3 293.342 1.127 20 70 CDIDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)CC(N)=O)CCO2 ZINC000161373951 277983197 /nfs/dbraw/zinc/98/31/97/277983197.db2.gz VBOMIKNYNUHUGT-CABZTGNLSA-N 0 3 264.325 1.372 20 70 CDIDHN C[C@H](N)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159835445 279392941 /nfs/dbraw/zinc/39/29/41/279392941.db2.gz XPRIDRFWKZHZEQ-KWBADKCTSA-N 0 3 282.771 1.976 20 70 CDIDHN CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000160366999 519591708 /nfs/dbraw/zinc/59/17/08/519591708.db2.gz OFWBADVQLWCHJG-AWEZNQCLSA-N 0 3 297.443 1.529 20 70 CDIDHN CCC(CC)C(=O)NCC1CCN(CCO)CC1 ZINC000160570832 521495213 /nfs/dbraw/zinc/49/52/13/521495213.db2.gz BEGGEGRERRLBEZ-UHFFFAOYSA-N 0 3 256.390 1.243 20 70 CDIDHN O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000161026235 534592133 /nfs/dbraw/zinc/59/21/33/534592133.db2.gz ADFJSABVDXSKKY-ZNMIVQPWSA-N 0 3 280.412 1.840 20 70 CDIDHN CC[C@@H](C)c1cc(C(=O)NCCCN(C)CCOC)on1 ZINC000160435137 522418676 /nfs/dbraw/zinc/41/86/76/522418676.db2.gz WPJQPTBWOSPQDM-GFCCVEGCSA-N 0 3 297.399 1.886 20 70 CDIDHN COc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)nn1 ZINC000159396567 523641207 /nfs/dbraw/zinc/64/12/07/523641207.db2.gz GTFGVQMCAPOEOR-LBPRGKRZSA-N 0 3 290.367 1.186 20 70 CDIDHN Cc1csc(N2CCC(NCC(=O)NC(C)C)CC2)n1 ZINC000160925147 526377118 /nfs/dbraw/zinc/37/71/18/526377118.db2.gz YRCPXZWFUXGALO-UHFFFAOYSA-N 0 3 296.440 1.535 20 70 CDIDHN C[C@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159589493 361738376 /nfs/dbraw/zinc/73/83/76/361738376.db2.gz HPFIEPQMFXAZDG-QWRGUYRKSA-N 0 3 258.325 1.397 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cncs1)CC2 ZINC000160401785 282117317 /nfs/dbraw/zinc/11/73/17/282117317.db2.gz MFVOZIQKSQCMQT-WPRPVWTQSA-N 0 3 263.370 1.709 20 70 CDIDHN CC(C)OC(=O)CCCNC(=O)N(C)CCN1CCCC1 ZINC000160095590 362024767 /nfs/dbraw/zinc/02/47/67/362024767.db2.gz FSXDSZRGSDPFAF-UHFFFAOYSA-N 0 3 299.415 1.455 20 70 CDIDHN CCN1CCCN(C(=O)NCCCC(=O)OC(C)C)CC1 ZINC000160224031 362070674 /nfs/dbraw/zinc/07/06/74/362070674.db2.gz FSTFTPSNVGIQSI-UHFFFAOYSA-N 0 3 299.415 1.455 20 70 CDIDHN COCCC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000160947154 362566215 /nfs/dbraw/zinc/56/62/15/362566215.db2.gz MNAUNAFRYLQQBF-KBPBESRZSA-N 0 3 297.443 1.785 20 70 CDIDHN CC(C)CNC(=O)[C@H](C)N1CCN(c2ccncc2)CC1 ZINC000161380400 538853419 /nfs/dbraw/zinc/85/34/19/538853419.db2.gz JHGKCKIFUPTDJY-AWEZNQCLSA-N 0 3 290.411 1.364 20 70 CDIDHN COCCC1(CNC(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000161053437 358783133 /nfs/dbraw/zinc/78/31/33/358783133.db2.gz YVUAEEFVEZWSGQ-AWEZNQCLSA-N 0 3 295.427 1.683 20 70 CDIDHN CSCC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000161088267 360644119 /nfs/dbraw/zinc/64/41/19/360644119.db2.gz YZCJMJHZLBNSRW-IUODEOHRSA-N 0 3 292.448 1.988 20 70 CDIDHN Cc1oc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1C ZINC000160450086 361456795 /nfs/dbraw/zinc/45/67/95/361456795.db2.gz BLXRABCPFJGMSN-CQSZACIVSA-N 0 3 294.395 1.781 20 70 CDIDHN CC[C@H](C(=O)NCCOc1ncccc1Cl)N(C)C ZINC000159390247 364196840 /nfs/dbraw/zinc/19/68/40/364196840.db2.gz AZFNENBYFBLDBY-LLVKDONJSA-N 0 3 285.775 1.570 20 70 CDIDHN Cc1ccc(NC(=O)[C@H](C)N)cc1C(=O)NC(C)C ZINC000159498376 364220780 /nfs/dbraw/zinc/22/07/80/364220780.db2.gz YGCHRBAFOWJUKS-JTQLQIEISA-N 0 3 263.341 1.419 20 70 CDIDHN COCCCNC(=O)CN(C)CCC1CCCC1 ZINC000159679104 364251334 /nfs/dbraw/zinc/25/13/34/364251334.db2.gz NLNFMTNIZRNOJD-UHFFFAOYSA-N 0 3 256.390 1.651 20 70 CDIDHN Cc1ccccc1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160034815 364297642 /nfs/dbraw/zinc/29/76/42/364297642.db2.gz DTQZOIDXDHDGCZ-MRXNPFEDSA-N 0 3 290.407 1.501 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)c(F)c1 ZINC000160572291 364376297 /nfs/dbraw/zinc/37/62/97/364376297.db2.gz CAXIIQWYZSUSFS-GFCCVEGCSA-N 0 3 298.333 1.541 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160603549 364381355 /nfs/dbraw/zinc/38/13/55/364381355.db2.gz IMQWJTYSNLUVAX-CQSZACIVSA-N 0 3 262.353 1.263 20 70 CDIDHN CCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000160147360 377050619 /nfs/dbraw/zinc/05/06/19/377050619.db2.gz OBDRIADKTZSNRN-NEPJUHHUSA-N 0 3 272.389 1.596 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1c(F)cccc1F ZINC000160707988 377095844 /nfs/dbraw/zinc/09/58/44/377095844.db2.gz PNXAUABRTAUYKM-UHFFFAOYSA-N 0 3 298.333 1.399 20 70 CDIDHN C[C@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000161095275 274501821 /nfs/dbraw/zinc/50/18/21/274501821.db2.gz JFNJVOBFRSCYKY-VYUIOLGVSA-N 0 3 250.317 1.913 20 70 CDIDHN CN1CCC(NC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159567168 292761818 /nfs/dbraw/zinc/76/18/18/292761818.db2.gz FSQYXTCCSFXYGC-UHFFFAOYSA-N 0 3 265.401 1.960 20 70 CDIDHN CCN(CC)CC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159614403 292763359 /nfs/dbraw/zinc/76/33/59/292763359.db2.gz HMFVQLMHVUTNRN-UHFFFAOYSA-N 0 3 299.459 1.145 20 70 CDIDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ncccc1F ZINC000159615154 292763364 /nfs/dbraw/zinc/76/33/64/292763364.db2.gz AIIJYIPXIHXSIM-LBPRGKRZSA-N 0 3 294.374 1.894 20 70 CDIDHN CCC(CC)(CNCC(=O)N1CCC[C@@H](C)C1)C(=O)OC ZINC000159674738 292765470 /nfs/dbraw/zinc/76/54/70/292765470.db2.gz WLFDCUCNENBXDN-CYBMUJFWSA-N 0 3 298.427 1.814 20 70 CDIDHN CC(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000160762033 519220770 /nfs/dbraw/zinc/22/07/70/519220770.db2.gz JUCFKZCWVHMPGX-DZGCQCFKSA-N 0 3 298.427 1.153 20 70 CDIDHN COC(=O)[C@H](C)CN(C)Cc1c(C)nc2ccccn21 ZINC000160415391 523863537 /nfs/dbraw/zinc/86/35/37/523863537.db2.gz LTVRGIMVOAAMEL-LLVKDONJSA-N 0 3 275.352 1.884 20 70 CDIDHN CNC(=O)[C@@H](C)CN(C)Cc1cnc2ccccn12 ZINC000160944790 524080577 /nfs/dbraw/zinc/08/05/77/524080577.db2.gz MWJTXJKIBZDLSV-NSHDSACASA-N 0 3 260.341 1.148 20 70 CDIDHN C[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160640590 346184510 /nfs/dbraw/zinc/18/45/10/346184510.db2.gz IBVMNXRMQAOROE-GXTWGEPZSA-N 0 3 265.401 1.912 20 70 CDIDHN CN(CC1CCOCC1)C(=O)NC[C@H]1CCCN1C ZINC000159764029 363285802 /nfs/dbraw/zinc/28/58/02/363285802.db2.gz GQDLOTLTBZHMLI-CYBMUJFWSA-N 0 3 269.389 1.149 20 70 CDIDHN CCc1nnc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)[nH]1 ZINC000159421401 361693505 /nfs/dbraw/zinc/69/35/05/361693505.db2.gz QXTZXLJWGJZXOQ-OCCSQVGLSA-N 0 3 289.427 1.816 20 70 CDIDHN CC(C)(CNC(=O)C[C@H]1CNCCO1)Cc1ccccc1 ZINC000159488528 364216720 /nfs/dbraw/zinc/21/67/20/364216720.db2.gz GYEJFJBPTQECOT-HNNXBMFYSA-N 0 3 290.407 1.750 20 70 CDIDHN NCC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000160050981 364298801 /nfs/dbraw/zinc/29/88/01/364298801.db2.gz KKRDPXWTFIRZGP-UHFFFAOYSA-N 0 3 283.169 1.556 20 70 CDIDHN CCOc1cc(CCCNC(=O)[C@@H](N)CC)ccc1OC ZINC000160063769 364300154 /nfs/dbraw/zinc/30/01/54/364300154.db2.gz ODJDQOBQYKLXEZ-ZDUSSCGKSA-N 0 3 294.395 1.880 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1ccccc1 ZINC000160718574 364400332 /nfs/dbraw/zinc/40/03/32/364400332.db2.gz QFQBGXPXIHKKNO-UHFFFAOYSA-N 0 3 262.353 1.121 20 70 CDIDHN O=C(NOCc1cccnc1)NC1CCN(C2CC2)CC1 ZINC000161039581 364441227 /nfs/dbraw/zinc/44/12/27/364441227.db2.gz JDUWVEHXOSUNCF-UHFFFAOYSA-N 0 3 290.367 1.439 20 70 CDIDHN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C(C)S(C)(=O)=O ZINC000161169579 367431888 /nfs/dbraw/zinc/43/18/88/367431888.db2.gz UDDGWDUEYCWRBE-IJLUTSLNSA-N 0 3 275.414 1.847 20 70 CDIDHN C[C@H](CNC(=O)Cc1cccc(N)c1)N(C)C1CC1 ZINC000217974604 140164269 /nfs/dbraw/zinc/16/42/69/140164269.db2.gz BTWHGCHZTBZKDM-LLVKDONJSA-N 0 3 261.369 1.410 20 70 CDIDHN C[C@@H](CNC(=O)Cc1cccc(N)c1)N(C)C1CC1 ZINC000217974533 140164462 /nfs/dbraw/zinc/16/44/62/140164462.db2.gz BTWHGCHZTBZKDM-NSHDSACASA-N 0 3 261.369 1.410 20 70 CDIDHN CCN(CCNC(=O)Cc1cccc(N)c1)C1CC1 ZINC000217924158 140165127 /nfs/dbraw/zinc/16/51/27/140165127.db2.gz QRIPHXKFURSXSK-UHFFFAOYSA-N 0 3 261.369 1.412 20 70 CDIDHN CN(C)[C@@H]1CCCN(C(=O)NCCc2cscn2)C1 ZINC000159581062 292762559 /nfs/dbraw/zinc/76/25/59/292762559.db2.gz MXMPJCUWBNNDAN-GFCCVEGCSA-N 0 3 282.413 1.421 20 70 CDIDHN CCC(CC)(CO)CNCc1cccc(C(N)=O)c1 ZINC000161373862 521452493 /nfs/dbraw/zinc/45/24/93/521452493.db2.gz ZTRMEGJYKMKINR-UHFFFAOYSA-N 0 3 264.369 1.674 20 70 CDIDHN COCCCN(CCc1ccc(OC)cc1)C(=O)[C@H](C)N ZINC000160880162 523260212 /nfs/dbraw/zinc/26/02/12/523260212.db2.gz MHSKFPBWQZSEKV-ZDUSSCGKSA-N 0 3 294.395 1.450 20 70 CDIDHN Cc1ccc(CC(=O)NCC2CCN(CCO)CC2)cc1 ZINC000160692833 524260404 /nfs/dbraw/zinc/26/04/04/524260404.db2.gz ZBXZRCKTNQGMQX-UHFFFAOYSA-N 0 3 290.407 1.358 20 70 CDIDHN CC(C)S(=O)(=O)CCCN(C[C@H]1CCOC1)C1CC1 ZINC000160851401 528295726 /nfs/dbraw/zinc/29/57/26/528295726.db2.gz DDUWAPQUQCOSHX-CYBMUJFWSA-N 0 3 289.441 1.701 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000159548087 528895103 /nfs/dbraw/zinc/89/51/03/528895103.db2.gz WLBSOKLBXHFBFW-CQSZACIVSA-N 0 3 271.405 1.537 20 70 CDIDHN COCCNCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159807113 361869018 /nfs/dbraw/zinc/86/90/18/361869018.db2.gz YBUBMJPMGPISKJ-GXTWGEPZSA-N 0 3 294.370 1.766 20 70 CDIDHN CC[C@@H](C(=O)NCCNC(=O)CC1CCCC1)N(C)C ZINC000160049082 539115239 /nfs/dbraw/zinc/11/52/39/539115239.db2.gz OAYJLUZQEDXLEO-ZDUSSCGKSA-N 0 3 283.416 1.139 20 70 CDIDHN CC(C)CSCCCNC(=O)C(C)S(C)(=O)=O ZINC000160817563 362180418 /nfs/dbraw/zinc/18/04/18/362180418.db2.gz YDOBYPQPNZJBHI-JTQLQIEISA-N 0 3 281.443 1.315 20 70 CDIDHN CO[C@@]1(CNCc2ccc3c(c2)OCCCO3)CCOC1 ZINC000160088970 362392611 /nfs/dbraw/zinc/39/26/11/362392611.db2.gz YZWNPDQKDPLRLK-MRXNPFEDSA-N 0 3 293.363 1.743 20 70 CDIDHN CCOc1cc(CNC[C@]2(OC)CCOC2)ccc1O ZINC000160139549 362396596 /nfs/dbraw/zinc/39/65/96/362396596.db2.gz AOADWRUNAWXZID-OAHLLOKOSA-N 0 3 281.352 1.686 20 70 CDIDHN c1cc(N2CCN(C[C@@H]3CCCCO3)CC2)ccn1 ZINC000161318777 538853748 /nfs/dbraw/zinc/85/37/48/538853748.db2.gz GVGRECMDPQEYAF-HNNXBMFYSA-N 0 3 261.369 1.773 20 70 CDIDHN Cc1ccccc1O[C@H](C)CNC(=O)[C@]1(F)CCNC1 ZINC000161174593 358790893 /nfs/dbraw/zinc/79/08/93/358790893.db2.gz KNIZLQVBLJFQJV-DOMZBBRYSA-N 0 3 280.343 1.580 20 70 CDIDHN CC(C)C[C@H](N)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000160846039 361380686 /nfs/dbraw/zinc/38/06/86/361380686.db2.gz ANYDORKVDLOOFS-SGMGOOAPSA-N 0 3 256.390 1.417 20 70 CDIDHN C[C@H]1CCC[C@@H](C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000160409406 363849677 /nfs/dbraw/zinc/84/96/77/363849677.db2.gz ZRLBLDNWBYNRDY-JKSUJKDBSA-N 0 3 295.471 1.957 20 70 CDIDHN COc1cccc(C2(CNC(=O)[C@@H](C)N)CCCC2)c1 ZINC000159476744 364215410 /nfs/dbraw/zinc/21/54/10/364215410.db2.gz LTEDJUQJYAHGNG-GFCCVEGCSA-N 0 3 276.380 1.970 20 70 CDIDHN Cc1nn(C)c2ncc(CN(C)C[C@H]3CCC[C@@H]3O)cc12 ZINC000159662564 364247764 /nfs/dbraw/zinc/24/77/64/364247764.db2.gz KQEASJYDRSAXPP-HIFRSBDPSA-N 0 3 288.395 1.870 20 70 CDIDHN CC(C)c1ncc(C(=O)NC[C@@H]2CCN(C)C2)s1 ZINC000159543548 364230549 /nfs/dbraw/zinc/23/05/49/364230549.db2.gz WVJQRKVLSUMFKB-JTQLQIEISA-N 0 3 267.398 1.948 20 70 CDIDHN CC[C@H](C(=O)NC[C@H](O)c1cccc(F)c1)N(C)C ZINC000160332042 364336877 /nfs/dbraw/zinc/33/68/77/364336877.db2.gz OLPZTMULTHUEHH-OLZOCXBDSA-N 0 3 268.332 1.316 20 70 CDIDHN CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(N)=O ZINC000160067509 364302825 /nfs/dbraw/zinc/30/28/25/364302825.db2.gz GEGRQVKOYRKDHU-ZDUSSCGKSA-N 0 3 290.411 1.494 20 70 CDIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)c1 ZINC000160463088 364355676 /nfs/dbraw/zinc/35/56/76/364355676.db2.gz VBBSDVJXCDZOTO-OAHLLOKOSA-N 0 3 290.407 1.880 20 70 CDIDHN CCc1cc(=O)[n-]c(CN2CC[NH+](C3CCCC3)CC2)n1 ZINC000160759697 364406178 /nfs/dbraw/zinc/40/61/78/364406178.db2.gz VYBCQVXXNVQYDM-UHFFFAOYSA-N 0 3 290.411 1.805 20 70 CDIDHN CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000161157184 364456363 /nfs/dbraw/zinc/45/63/63/364456363.db2.gz YVDOKBGUILWRHW-JMSVASOKSA-N 0 3 294.395 1.952 20 70 CDIDHN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(C)S(C)(=O)=O ZINC000161169341 367432283 /nfs/dbraw/zinc/43/22/83/367432283.db2.gz UDDGWDUEYCWRBE-UTUOFQBUSA-N 0 3 275.414 1.847 20 70 CDIDHN CC[C@@H](C(=O)NC[C@H](O)c1ccccc1)N(C)C ZINC000160041215 273712971 /nfs/dbraw/zinc/71/29/71/273712971.db2.gz RMBUYINMDCHDOG-STQMWFEESA-N 0 3 250.342 1.176 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)c1cnc2c(c1)ncn2C ZINC000160946010 519646267 /nfs/dbraw/zinc/64/62/67/519646267.db2.gz DYTJKDGUWXFMGX-UHFFFAOYSA-N 0 3 289.383 1.381 20 70 CDIDHN CCCN1CCCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000160393421 519849250 /nfs/dbraw/zinc/84/92/50/519849250.db2.gz UOOMXGXQEJXZAK-UHFFFAOYSA-N 0 3 275.396 1.877 20 70 CDIDHN C[C@@H]1CCN(CCN(C)Cc2ccc(F)cc2)C[C@@H]1O ZINC000161399596 524504513 /nfs/dbraw/zinc/50/45/13/524504513.db2.gz VAFKTWHKRVALFR-CJNGLKHVSA-N 0 3 280.387 1.960 20 70 CDIDHN C[C@H](CO)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000160443847 524539053 /nfs/dbraw/zinc/53/90/53/524539053.db2.gz XHNIEAYKMNBLBF-LLVKDONJSA-N 0 3 250.342 1.201 20 70 CDIDHN COCCNCC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159826260 361875589 /nfs/dbraw/zinc/87/55/89/361875589.db2.gz RYVHOMPYGAOGMR-HNNXBMFYSA-N 0 3 276.380 1.360 20 70 CDIDHN CC[C@H]1CCCCCN1C(=O)CNC[C@H]1CCCO1 ZINC000159371779 362316464 /nfs/dbraw/zinc/31/64/64/362316464.db2.gz QAFVEMYRLPFZAF-UONOGXRCSA-N 0 3 268.401 1.936 20 70 CDIDHN CN1CCN(CCCNCc2cc(F)cc(F)c2)CC1 ZINC000159634994 362354563 /nfs/dbraw/zinc/35/45/63/362354563.db2.gz HXAYRPIRAPCJBQ-UHFFFAOYSA-N 0 3 283.366 1.692 20 70 CDIDHN CC1(O)CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000161234199 362873096 /nfs/dbraw/zinc/87/30/96/362873096.db2.gz VGCFFNDWNQPLMS-HNNXBMFYSA-N 0 3 279.380 1.411 20 70 CDIDHN CN1CCC[C@@H]1CNC(=O)NCC1(C2CC2)CCC1 ZINC000159713100 363220643 /nfs/dbraw/zinc/22/06/43/363220643.db2.gz VIJAKHGHFHOJQX-CYBMUJFWSA-N 0 3 265.401 1.960 20 70 CDIDHN OC[C@H]1CCCCN1C[C@@H](O)COc1ccccc1Cl ZINC000159858684 359278289 /nfs/dbraw/zinc/27/82/89/359278289.db2.gz LNXCZCPPMZHPKT-CHWSQXEVSA-N 0 3 299.798 1.927 20 70 CDIDHN C[C@H](N)C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000159537278 361731441 /nfs/dbraw/zinc/73/14/41/361731441.db2.gz LNNOFFSTWRFZCP-LBPRGKRZSA-N 0 3 292.379 1.346 20 70 CDIDHN COCCCN(C)CCNC(=O)c1cccc2[nH]cnc21 ZINC000159685327 364251135 /nfs/dbraw/zinc/25/11/35/364251135.db2.gz ZNFUDSALWBJGER-UHFFFAOYSA-N 0 3 290.367 1.261 20 70 CDIDHN CCCN(CCO)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000161214397 364463709 /nfs/dbraw/zinc/46/37/09/364463709.db2.gz MCWCIXCCGFURLN-UHFFFAOYSA-N 0 3 297.399 1.267 20 70 CDIDHN CN(Cc1ccc([S@](C)=O)cc1)C(=O)CNCC1CC1 ZINC000161468688 375429501 /nfs/dbraw/zinc/42/95/01/375429501.db2.gz NPZRXAABEDGYTG-HXUWFJFHSA-N 0 3 294.420 1.382 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)[C@H]1CC=CCC1 ZINC000160546627 377084153 /nfs/dbraw/zinc/08/41/53/377084153.db2.gz FHHPTEFPVZRVKD-AWEZNQCLSA-N 0 3 266.385 1.163 20 70 CDIDHN CNS(=O)(=O)c1ccc([C@@H](C)NCC(C)(C)O)cc1 ZINC000160654515 377098913 /nfs/dbraw/zinc/09/89/13/377098913.db2.gz FAWBCQUJASRVMO-SNVBAGLBSA-N 0 3 286.397 1.016 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)c1cc(F)ccc1F ZINC000160692546 377101495 /nfs/dbraw/zinc/10/14/95/377101495.db2.gz DDUNTZNHGYASDS-UHFFFAOYSA-N 0 3 298.333 1.399 20 70 CDIDHN C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000217839856 140165676 /nfs/dbraw/zinc/16/56/76/140165676.db2.gz NMCKFVRELAXFRC-TZMCWYRMSA-N 0 3 297.424 1.395 20 70 CDIDHN C[C@H](N)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161095416 274501836 /nfs/dbraw/zinc/50/18/36/274501836.db2.gz JFNJVOBFRSCYKY-MWODSPESSA-N 0 3 250.317 1.913 20 70 CDIDHN C([C@@H]1CCCO1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161401568 275396644 /nfs/dbraw/zinc/39/66/44/275396644.db2.gz XGMNVNXXHCMOJW-OLZOCXBDSA-N 0 3 276.384 1.583 20 70 CDIDHN COCCN1CCC(NC(=O)N[C@H](C)CC(C)C)CC1 ZINC000159728176 292766754 /nfs/dbraw/zinc/76/67/54/292766754.db2.gz ZKHWDGYTIXWQEX-CYBMUJFWSA-N 0 3 285.432 1.831 20 70 CDIDHN C[C@@H](CN1CCCCC1)NC(=O)N(C)CC1CCOCC1 ZINC000159727069 292767025 /nfs/dbraw/zinc/76/70/25/292767025.db2.gz BUBBZBSILTVOGF-AWEZNQCLSA-N 0 3 297.443 1.929 20 70 CDIDHN Cc1conc1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000160128584 534756336 /nfs/dbraw/zinc/75/63/36/534756336.db2.gz JEIFHMZCCGQDEI-LLVKDONJSA-N 0 3 296.371 1.014 20 70 CDIDHN CCCNC(=O)[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000159873961 361893384 /nfs/dbraw/zinc/89/33/84/361893384.db2.gz FVLDPZZYUMJLSI-CQSZACIVSA-N 0 3 268.401 1.651 20 70 CDIDHN Cn1ccnc1CN1CCN(c2ccncc2)CC1 ZINC000161363255 539117679 /nfs/dbraw/zinc/11/76/79/539117679.db2.gz FKYJYFFXRVXJJH-UHFFFAOYSA-N 0 3 257.341 1.137 20 70 CDIDHN CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000160208774 362054876 /nfs/dbraw/zinc/05/48/76/362054876.db2.gz VFBDCDVRMFXKEM-ZDUSSCGKSA-N 0 3 299.415 1.454 20 70 CDIDHN CC(C)C(=O)NC[C@H]1CCCN(CCOCC2CC2)C1 ZINC000160214088 362057872 /nfs/dbraw/zinc/05/78/72/362057872.db2.gz NJWJWDYFHZJSTK-OAHLLOKOSA-N 0 3 282.428 1.897 20 70 CDIDHN COc1cc(CNC[C@]2(OC)CCOC2)cc(OC)c1O ZINC000160109139 362395735 /nfs/dbraw/zinc/39/57/35/362395735.db2.gz YDARPAPJKOMGII-OAHLLOKOSA-N 0 3 297.351 1.305 20 70 CDIDHN CN(C)[C@H](CNC(=O)c1cc[nH]c(=O)c1)Cc1ccccc1 ZINC000159629895 363086578 /nfs/dbraw/zinc/08/65/78/363086578.db2.gz LHSGMJIITIDLHR-HNNXBMFYSA-N 0 3 299.374 1.278 20 70 CDIDHN CNCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000160476597 188475369 /nfs/dbraw/zinc/47/53/69/188475369.db2.gz CHCQPCMTDKNHCW-JTQLQIEISA-N 0 3 259.309 1.738 20 70 CDIDHN COCCN1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000160046481 363620731 /nfs/dbraw/zinc/62/07/31/363620731.db2.gz RIEWKIVAGOQNPZ-UHFFFAOYSA-N 0 3 269.389 1.339 20 70 CDIDHN CCN1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160645285 364118141 /nfs/dbraw/zinc/11/81/41/364118141.db2.gz DESGUIAFMSTAQQ-CABCVRRESA-N 0 3 295.427 1.681 20 70 CDIDHN CN(Cc1cc(=O)n2ccsc2n1)C[C@H]1CCC[C@@H]1O ZINC000159831328 364272162 /nfs/dbraw/zinc/27/21/62/364272162.db2.gz BOHOHTXZYFDEQX-PWSUYJOCSA-N 0 3 293.392 1.349 20 70 CDIDHN C[C@H](NC(=O)[C@H]1CCCCN1)C(=O)Nc1ccccc1 ZINC000159892838 364278053 /nfs/dbraw/zinc/27/80/53/364278053.db2.gz CFDMQBHXOHCIRW-WCQYABFASA-N 0 3 275.352 1.272 20 70 CDIDHN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1CCCCN1 ZINC000161511139 375652555 /nfs/dbraw/zinc/65/25/55/375652555.db2.gz VUATXDIEBLPFPF-SNPRPXQTSA-N 0 3 276.380 1.757 20 70 CDIDHN CN1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159571263 292761619 /nfs/dbraw/zinc/76/16/19/292761619.db2.gz ZLTLXSAMCGEDTD-UHFFFAOYSA-N 0 3 251.374 1.570 20 70 CDIDHN CCN(C)C(=O)CNC[C@@H](O)COc1c(C)cccc1C ZINC000218115734 329468221 /nfs/dbraw/zinc/46/82/21/329468221.db2.gz FMAXRTLXHPOXPW-CQSZACIVSA-N 0 3 294.395 1.111 20 70 CDIDHN CCCCO[C@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160586792 520836262 /nfs/dbraw/zinc/83/62/62/520836262.db2.gz CVFQOENZLMQRMW-CYBMUJFWSA-N 0 3 286.416 1.012 20 70 CDIDHN COC(CN1CCC(C(=O)N2CCC(C)CC2)CC1)OC ZINC000160625258 522531360 /nfs/dbraw/zinc/53/13/60/522531360.db2.gz IQKCSSBEGAMEJK-UHFFFAOYSA-N 0 3 298.427 1.576 20 70 CDIDHN COCCN(C)CCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000160434276 523586526 /nfs/dbraw/zinc/58/65/26/523586526.db2.gz SVQFWSXNWBHMIV-KBPBESRZSA-N 0 3 270.417 1.897 20 70 CDIDHN CC(C)N(CCN(C)C)C(=O)NCCc1cscn1 ZINC000159765899 528894559 /nfs/dbraw/zinc/89/45/59/528894559.db2.gz XNPFTOKTMALHGV-UHFFFAOYSA-N 0 3 284.429 1.667 20 70 CDIDHN C[C@@H](NC(=O)[C@H](C)N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159614162 361752326 /nfs/dbraw/zinc/75/23/26/361752326.db2.gz FFEOSUDHKRDAIZ-JGVFFNPUSA-N 0 3 294.742 1.914 20 70 CDIDHN CCNC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159647378 361761201 /nfs/dbraw/zinc/76/12/01/361761201.db2.gz SIEGJGKFGDRCHQ-QWRGUYRKSA-N 0 3 253.346 1.097 20 70 CDIDHN Cc1cc2ncc([C@H](C)NCCc3cnn(C)c3)c(C)n2n1 ZINC000159762222 362366917 /nfs/dbraw/zinc/36/69/17/362366917.db2.gz VIZVLLUJFXUFPH-LBPRGKRZSA-N 0 3 298.394 1.973 20 70 CDIDHN C[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000160640735 346184304 /nfs/dbraw/zinc/18/43/04/346184304.db2.gz IBVMNXRMQAOROE-OCCSQVGLSA-N 0 3 265.401 1.912 20 70 CDIDHN CS[C@H](C)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000159867961 363386409 /nfs/dbraw/zinc/38/64/09/363386409.db2.gz FOJBQSNBHDZSBY-VHSXEESVSA-N 0 3 259.419 1.520 20 70 CDIDHN CN(C)C[C@H]1CN(Cc2cnc3ccccn23)CCO1 ZINC000160118046 363676079 /nfs/dbraw/zinc/67/60/79/363676079.db2.gz HWOKQVXBBIHSMF-AWEZNQCLSA-N 0 3 274.368 1.097 20 70 CDIDHN C[C@H](N)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000160966197 360215098 /nfs/dbraw/zinc/21/50/98/360215098.db2.gz DAMVGVJZAPECPS-WKEGUHRASA-N 0 3 277.151 1.490 20 70 CDIDHN C[C@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161035150 360308360 /nfs/dbraw/zinc/30/83/60/360308360.db2.gz WVQUYYIBRTXFOY-NSHDSACASA-N 0 3 278.352 1.778 20 70 CDIDHN COc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cn1 ZINC000159449864 364207999 /nfs/dbraw/zinc/20/79/99/364207999.db2.gz SLRIPKYCKWNBAS-OLZOCXBDSA-N 0 3 250.342 1.683 20 70 CDIDHN C[C@@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159745748 364260968 /nfs/dbraw/zinc/26/09/68/364260968.db2.gz HCZHZWYXDHZXTF-BXKDBHETSA-N 0 3 295.770 1.251 20 70 CDIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000160284193 364329029 /nfs/dbraw/zinc/32/90/29/364329029.db2.gz HJEQLKRQXWCYRG-GFCCVEGCSA-N 0 3 298.333 1.541 20 70 CDIDHN CC[C@H](COC)NCC(=O)NCc1ccc(OC)cc1 ZINC000161012957 364438896 /nfs/dbraw/zinc/43/88/96/364438896.db2.gz KPJOPTHVWMWZQS-CYBMUJFWSA-N 0 3 280.368 1.326 20 70 CDIDHN O=C(CCOCc1ccccc1)N1CCCNCC1 ZINC000160833396 364417371 /nfs/dbraw/zinc/41/73/71/364417371.db2.gz GKTANGAYXDAEOR-UHFFFAOYSA-N 0 3 262.353 1.415 20 70 CDIDHN Cc1ccccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160687077 377101421 /nfs/dbraw/zinc/10/14/21/377101421.db2.gz RTVYKEBNIAXQGN-UHFFFAOYSA-N 0 3 276.380 1.429 20 70 CDIDHN COCCC1(CNC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000161030604 533195584 /nfs/dbraw/zinc/19/55/84/533195584.db2.gz VFDCXVQNAUCJFM-AWEZNQCLSA-N 0 3 297.443 1.786 20 70 CDIDHN CS[C@@H]1CCC[C@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000159577842 277519100 /nfs/dbraw/zinc/51/91/00/277519100.db2.gz SMTMZFAWJXGJGB-UMNHJUIQSA-N 0 3 260.378 1.478 20 70 CDIDHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)ncn1 ZINC000161204728 292801927 /nfs/dbraw/zinc/80/19/27/292801927.db2.gz FSTBWPJQLNJNMS-HNNXBMFYSA-N 0 3 284.363 1.818 20 70 CDIDHN CC1CCN(C(=O)N2CCC[C@H]2CN(C)C)CC1 ZINC000160527914 520981820 /nfs/dbraw/zinc/98/18/20/520981820.db2.gz KTQDZKMFHTUQKK-ZDUSSCGKSA-N 0 3 253.390 1.864 20 70 CDIDHN CN1CCN(CCn2cccn2)[C@H](c2ccccc2)C1 ZINC000161331729 523905818 /nfs/dbraw/zinc/90/58/18/523905818.db2.gz CQVWGEHGXDLPCB-INIZCTEOSA-N 0 3 270.380 1.872 20 70 CDIDHN C[C@H]1CN(C[C@@H]2CCCN2CCOCC2CC2)C[C@H](C)O1 ZINC000159635520 361755669 /nfs/dbraw/zinc/75/56/69/361755669.db2.gz LYMGYAVNSXCRIW-ZOBUZTSGSA-N 0 3 296.455 1.987 20 70 CDIDHN C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc(-n2ccnn2)cc1 ZINC000159906866 361927224 /nfs/dbraw/zinc/92/72/24/361927224.db2.gz BINCEBUILQEVMR-SMDDNHRTSA-N 0 3 285.351 1.149 20 70 CDIDHN CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160693814 346196383 /nfs/dbraw/zinc/19/63/83/346196383.db2.gz SDIQBKFQTJMLCV-OAHLLOKOSA-N 0 3 288.395 1.707 20 70 CDIDHN O=C(C[C@@H]1CNCCO1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161220098 362708591 /nfs/dbraw/zinc/70/85/91/362708591.db2.gz KPEGCQXMYIGYDL-LSDHHAIUSA-N 0 3 296.411 1.315 20 70 CDIDHN CCN1CCCN(C(=O)NCc2scnc2C)CC1 ZINC000159822363 363353919 /nfs/dbraw/zinc/35/39/19/363353919.db2.gz PJJVHEVBXNJHCH-UHFFFAOYSA-N 0 3 282.413 1.689 20 70 CDIDHN O=C(CC1(O)CCCCC1)NC[C@@H](O)CN1CCCCC1 ZINC000160287135 237174734 /nfs/dbraw/zinc/17/47/34/237174734.db2.gz CJVDERFDXKTDSH-CQSZACIVSA-N 0 3 298.427 1.035 20 70 CDIDHN COCCN(CCOc1ccc(F)cc1)C(=O)[C@@H](C)N ZINC000159400895 361687783 /nfs/dbraw/zinc/68/77/83/361687783.db2.gz CIKOJUKUBPZJAE-LLVKDONJSA-N 0 3 284.331 1.027 20 70 CDIDHN CCCN(CCc1cccc(F)c1)C(=O)[C@H](C)N ZINC000160096125 364306205 /nfs/dbraw/zinc/30/62/05/364306205.db2.gz IDWMSROAZFNKBG-NSHDSACASA-N 0 3 252.333 1.954 20 70 CDIDHN CCn1cc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cn1 ZINC000160461361 364355852 /nfs/dbraw/zinc/35/58/52/364355852.db2.gz POQYKISCLBYJRZ-GWCFXTLKSA-N 0 3 274.372 1.469 20 70 CDIDHN CC(C)N(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1F ZINC000217768033 367258418 /nfs/dbraw/zinc/25/84/18/367258418.db2.gz ALAGUNLYYRGMPZ-DGCLKSJQSA-N 0 3 295.358 1.332 20 70 CDIDHN CSC[C@](C)(O)CNCc1c[nH]nc1-c1cccnc1 ZINC000217844866 367259595 /nfs/dbraw/zinc/25/95/95/367259595.db2.gz ITGSUHNEZZKHPC-CQSZACIVSA-N 0 3 292.408 1.675 20 70 CDIDHN COC(C)(C)C[C@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000160965278 292068058 /nfs/dbraw/zinc/06/80/58/292068058.db2.gz GMDLSZOGWDHLDI-LBPRGKRZSA-N 0 3 290.407 1.803 20 70 CDIDHN C[C@@H](COc1ccccc1)C(=O)N1CCCNCC1 ZINC000160847424 534169350 /nfs/dbraw/zinc/16/93/50/534169350.db2.gz PDXVDYGBNMOQRT-ZDUSSCGKSA-N 0 3 262.353 1.523 20 70 CDIDHN CN(CCN[C@@H](C(N)=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000160526157 522871641 /nfs/dbraw/zinc/87/16/41/522871641.db2.gz CVUJFSTXPADBAC-AWEZNQCLSA-N 0 3 295.402 1.747 20 70 CDIDHN C[C@H](CNC(=O)[C@@]1(F)CCNC1)Sc1ccccc1 ZINC000161121317 524444774 /nfs/dbraw/zinc/44/47/74/524444774.db2.gz CJKQTGSGPKMGQK-BXUZGUMPSA-N 0 3 282.384 1.985 20 70 CDIDHN CCC[C@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000161445254 528371084 /nfs/dbraw/zinc/37/10/84/528371084.db2.gz NYZXUBSLQRHWSE-KBPBESRZSA-N 0 3 268.401 1.794 20 70 CDIDHN CN(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000159920190 361939816 /nfs/dbraw/zinc/93/98/16/361939816.db2.gz GYIKFZONMQDOBN-XHSDSOJGSA-N 0 3 287.407 1.642 20 70 CDIDHN O=C(CCCn1cccc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000159460488 539114193 /nfs/dbraw/zinc/11/41/93/539114193.db2.gz SYLGNQBHDLSTDC-OAHLLOKOSA-N 0 3 275.396 1.869 20 70 CDIDHN O=C([C@H]1CCCO1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000160970384 362357350 /nfs/dbraw/zinc/35/73/50/362357350.db2.gz DLORRIRAFPFDTJ-HUUCEWRRSA-N 0 3 278.396 1.666 20 70 CDIDHN COCc1ccccc1CNC[C@@]1(OC)CCOC1 ZINC000160144864 362398148 /nfs/dbraw/zinc/39/81/48/362398148.db2.gz WVWJBQDLMVESOX-HNNXBMFYSA-N 0 3 265.353 1.728 20 70 CDIDHN CCCCCN(CCO)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160626540 346182238 /nfs/dbraw/zinc/18/22/38/346182238.db2.gz IRNNTDOCXUTFOL-OAHLLOKOSA-N 0 3 297.443 1.665 20 70 CDIDHN CCCNC(=O)CNCC(CC)(CC)C(=O)OC ZINC000159683690 363192053 /nfs/dbraw/zinc/19/20/53/363192053.db2.gz NOMDUJZUUXBWMY-UHFFFAOYSA-N 0 3 258.362 1.082 20 70 CDIDHN CCC[C@H](N)C(=O)NCc1ccc(OC)c(OCC)c1 ZINC000159587844 188433160 /nfs/dbraw/zinc/43/31/60/188433160.db2.gz OSJMVWOQOYKDIG-LBPRGKRZSA-N 0 3 280.368 1.838 20 70 CDIDHN COC(CN1CCC(C(=O)N2CCCCCC2)CC1)OC ZINC000160433673 358636388 /nfs/dbraw/zinc/63/63/88/358636388.db2.gz QOPVXXBKGJWCFO-UHFFFAOYSA-N 0 3 298.427 1.720 20 70 CDIDHN CN(C)C[C@@H]1CN(Cc2ccnc(Cl)c2)CCO1 ZINC000216935032 358971981 /nfs/dbraw/zinc/97/19/81/358971981.db2.gz ASMPDINRTOJZBZ-GFCCVEGCSA-N 0 3 269.776 1.497 20 70 CDIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(N)=O ZINC000160511464 363962975 /nfs/dbraw/zinc/96/29/75/363962975.db2.gz ZSLYMEGJARUCCV-GXSJLCMTSA-N 0 3 255.339 1.426 20 70 CDIDHN CCCC[C@@H](COC)NCC(=O)NCC(F)(F)F ZINC000160584804 364065458 /nfs/dbraw/zinc/06/54/58/364065458.db2.gz CTEUNYLXRIHXEL-VIFPVBQESA-N 0 3 270.295 1.460 20 70 CDIDHN CC[C@H](C(=O)NCCOc1ccc(Cl)cn1)N(C)C ZINC000159394626 364198980 /nfs/dbraw/zinc/19/89/80/364198980.db2.gz KQOTVQHQBPHZCH-LLVKDONJSA-N 0 3 285.775 1.570 20 70 CDIDHN Cn1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159405149 364200298 /nfs/dbraw/zinc/20/02/98/364200298.db2.gz ZMCOYZLFXMEIJV-AWEZNQCLSA-N 0 3 299.440 1.319 20 70 CDIDHN Cc1ccccc1[C@H](O)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000159842170 364272226 /nfs/dbraw/zinc/27/22/26/364272226.db2.gz ZHBOOYKBULZAGF-DLBZAZTESA-N 0 3 298.386 1.715 20 70 CDIDHN CC[C@H](N)C(=O)Nc1cccc(-c2nnnn2CC)c1 ZINC000161128651 364451925 /nfs/dbraw/zinc/45/19/25/364451925.db2.gz HMWGLWCTLYRAJA-NSHDSACASA-N 0 3 274.328 1.036 20 70 CDIDHN CNC(=O)c1ccc(CNC[C@@](C)(O)CSC)cc1 ZINC000217842264 367259444 /nfs/dbraw/zinc/25/94/44/367259444.db2.gz QZLFULRJTRJLRV-CQSZACIVSA-N 0 3 282.409 1.250 20 70 CDIDHN CO[C@@]1(CNCC(=O)Nc2cccc(F)c2)CCOC1 ZINC000160273585 370090813 /nfs/dbraw/zinc/09/08/13/370090813.db2.gz OVEJVKBGXGQLMQ-CQSZACIVSA-N 0 3 282.315 1.159 20 70 CDIDHN CCCN(CCO)Cc1ccc([S@@](C)=O)cc1 ZINC000161231408 377493990 /nfs/dbraw/zinc/49/39/90/377493990.db2.gz AIRWNXZKACZPQB-KRWDZBQOSA-N 0 3 255.383 1.628 20 70 CDIDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc[nH]c1=O ZINC000161501843 521750815 /nfs/dbraw/zinc/75/08/15/521750815.db2.gz XUZBWNSVBFJHTD-UHFFFAOYSA-N 0 3 299.374 1.991 20 70 CDIDHN CC[C@H](C)[C@@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)OC ZINC000217911658 535853525 /nfs/dbraw/zinc/85/35/25/535853525.db2.gz CVVVKBVWDYADJQ-NJZAAPMLSA-N 0 3 292.379 1.780 20 70 CDIDHN COc1cc(NC(=O)[C@H]2C[C@H](OC)CN2)ccc1F ZINC000160344830 342072889 /nfs/dbraw/zinc/07/28/89/342072889.db2.gz LZOAJTULCILTGS-GXSJLCMTSA-N 0 3 268.288 1.150 20 70 CDIDHN CCN1CCCN(C(=O)NCc2csc(C)n2)CC1 ZINC000159570554 539114393 /nfs/dbraw/zinc/11/43/93/539114393.db2.gz MWZOSIWHVKVFNZ-UHFFFAOYSA-N 0 3 282.413 1.689 20 70 CDIDHN CS[C@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000159868103 363385859 /nfs/dbraw/zinc/38/58/59/363385859.db2.gz FOJBQSNBHDZSBY-NXEZZACHSA-N 0 3 259.419 1.520 20 70 CDIDHN CCC[C@H]1CN(C(=O)NCCN2CCC[C@H](C)C2)CCO1 ZINC000160220019 363766390 /nfs/dbraw/zinc/76/63/90/363766390.db2.gz NZWOKLCDBVWMTB-GJZGRUSLSA-N 0 3 297.443 1.929 20 70 CDIDHN CCN(CCNC(=O)CCCn1cccc1)C1CC1 ZINC000159391023 364196331 /nfs/dbraw/zinc/19/63/31/364196331.db2.gz ISHGNTFTKURLIE-UHFFFAOYSA-N 0 3 263.385 1.869 20 70 CDIDHN CC(C(=O)N(C)CCOCc1ccccc1)S(C)(=O)=O ZINC000159395580 364198707 /nfs/dbraw/zinc/19/87/07/364198707.db2.gz TZFHTDINXRQSIV-GFCCVEGCSA-N 0 3 299.392 1.095 20 70 CDIDHN COc1cccc(C2(CNC(=O)CN)CCCC2)c1 ZINC000159476588 364214656 /nfs/dbraw/zinc/21/46/56/364214656.db2.gz GLDUXYJGFSREMK-UHFFFAOYSA-N 0 3 262.353 1.582 20 70 CDIDHN CC(=O)N(C)C1CCN(CCOCC2CC2)CC1 ZINC000159660677 364247191 /nfs/dbraw/zinc/24/71/91/364247191.db2.gz SMXSPQWZPCUJNR-UHFFFAOYSA-N 0 3 254.374 1.356 20 70 CDIDHN CC(C)[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159952731 364284266 /nfs/dbraw/zinc/28/42/66/364284266.db2.gz SJJSKJILOBVGDG-YPMHNXCESA-N 0 3 293.342 1.031 20 70 CDIDHN CSCC[C@H](N)C(=O)NCCC(=O)Nc1ccccc1 ZINC000160023521 364296021 /nfs/dbraw/zinc/29/60/21/364296021.db2.gz HJVPCWMZFXOVSS-LBPRGKRZSA-N 0 3 295.408 1.212 20 70 CDIDHN Cc1cnccc1CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000160812628 364412326 /nfs/dbraw/zinc/41/23/26/364412326.db2.gz CNNAJBZFOSLBDA-CYBMUJFWSA-N 0 3 290.411 1.714 20 70 CDIDHN CC[C@H](N)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161192545 364463071 /nfs/dbraw/zinc/46/30/71/364463071.db2.gz DQJKYVPIRZOKDO-ZETCQYMHSA-N 0 3 250.224 1.121 20 70 CDIDHN CC[C@H](N)C(=O)N(CCOC)Cc1ccc2c(c1)OCO2 ZINC000159706031 390976176 /nfs/dbraw/zinc/97/61/76/390976176.db2.gz QGJYSGIIEVYJBE-LBPRGKRZSA-N 0 3 294.351 1.128 20 70 CDIDHN CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000218002269 140164794 /nfs/dbraw/zinc/16/47/94/140164794.db2.gz IXUJQEXEYUOCFL-QWHCGFSZSA-N 0 3 253.390 1.911 20 70 CDIDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217484493 140164101 /nfs/dbraw/zinc/16/41/01/140164101.db2.gz AQVCURMHMQLLRD-CZXHOFHRSA-N 0 3 283.416 1.027 20 70 CDIDHN CC(=O)N1CC[C@@H](NC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000159731659 292767694 /nfs/dbraw/zinc/76/76/94/292767694.db2.gz DVDMEOWTLMNOKW-OAHLLOKOSA-N 0 3 289.379 1.099 20 70 CDIDHN O=C(Nc1nncn1Cc1ccccc1)[C@H]1CCCCN1 ZINC000159631177 482737309 /nfs/dbraw/zinc/73/73/09/482737309.db2.gz NGRGXAFBRUZUEN-CYBMUJFWSA-N 0 3 285.351 1.407 20 70 CDIDHN O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC(O)C1 ZINC000161473696 526468017 /nfs/dbraw/zinc/46/80/17/526468017.db2.gz HWMFWSGPLGXESM-CYBMUJFWSA-N 0 3 292.354 1.241 20 70 CDIDHN O=C(N[C@@H]1CCOC1)N1CCN(C2CCCC2)CC1 ZINC000159446707 295761626 /nfs/dbraw/zinc/76/16/26/295761626.db2.gz GDHUQNBQIUJMIZ-GFCCVEGCSA-N 0 3 267.373 1.045 20 70 CDIDHN C[C@H](N)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160567293 359652397 /nfs/dbraw/zinc/65/23/97/359652397.db2.gz ZQABAOBVFJXDJC-QWRGUYRKSA-N 0 3 258.325 1.397 20 70 CDIDHN CSCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000161088139 360644155 /nfs/dbraw/zinc/64/41/55/360644155.db2.gz YZCJMJHZLBNSRW-DOMZBBRYSA-N 0 3 292.448 1.988 20 70 CDIDHN CC1CCN(C(=O)N(C)C2CCN(C)CC2)CC1 ZINC000160297489 361386138 /nfs/dbraw/zinc/38/61/38/361386138.db2.gz MRMRXBWQLBZYTP-UHFFFAOYSA-N 0 3 253.390 1.864 20 70 CDIDHN COCCCN1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000160570005 364022793 /nfs/dbraw/zinc/02/27/93/364022793.db2.gz LJOMRYCDISYWIH-UHFFFAOYSA-N 0 3 283.416 1.729 20 70 CDIDHN CCN1CCCN(C(=O)NCCCc2cnn(C)c2)CC1 ZINC000159804229 364267445 /nfs/dbraw/zinc/26/74/45/364267445.db2.gz RZIWRHUJJMCKAF-UHFFFAOYSA-N 0 3 293.415 1.090 20 70 CDIDHN CNCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159801969 364267569 /nfs/dbraw/zinc/26/75/69/364267569.db2.gz ALSJLFAIXAMHBA-JQWIXIFHSA-N 0 3 250.317 1.750 20 70 CDIDHN CC(C)(N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160382896 364344486 /nfs/dbraw/zinc/34/44/86/364344486.db2.gz BGMZMLWOYBOVQA-GFCCVEGCSA-N 0 3 264.344 1.954 20 70 CDIDHN CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@H](N)C(C)C)cc1 ZINC000160977137 364434780 /nfs/dbraw/zinc/43/47/80/364434780.db2.gz GKRUKRMOBROJBQ-LSDHHAIUSA-N 0 3 294.395 1.607 20 70 CDIDHN C[C@@H](CN1CCCCC1)NC(=O)NOCc1cccnc1 ZINC000161076305 364444888 /nfs/dbraw/zinc/44/48/88/364444888.db2.gz RPZRSACKIMEVEX-ZDUSSCGKSA-N 0 3 292.383 1.687 20 70 CDIDHN C[C@@H](C(=O)NCC1(CCO)CCC1)N1[C@H](C)CC[C@H]1C ZINC000160142952 377050553 /nfs/dbraw/zinc/05/05/53/377050553.db2.gz IJZMJVXMSXQPTP-MCIONIFRSA-N 0 3 282.428 1.917 20 70 CDIDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1F ZINC000160624977 377097733 /nfs/dbraw/zinc/09/77/33/377097733.db2.gz AWPBCNWYXMURTN-UHFFFAOYSA-N 0 3 294.370 1.568 20 70 CDIDHN CC(C)n1nccc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000161338325 377591109 /nfs/dbraw/zinc/59/11/09/377591109.db2.gz IAOBZLYDUXCPII-CYBMUJFWSA-N 0 3 276.384 1.774 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H](C)CC(C)(C)OC)CC1 ZINC000159913034 285214118 /nfs/dbraw/zinc/21/41/18/285214118.db2.gz OVMDZEYALLMGIY-CYBMUJFWSA-N 0 3 285.432 1.927 20 70 CDIDHN CC[C@H](C(=O)NC[C@H](O)C1CCCCC1)N(C)C ZINC000160242140 280679713 /nfs/dbraw/zinc/67/97/13/280679713.db2.gz LNDVCNDVELSKAV-OLZOCXBDSA-N 0 3 256.390 1.384 20 70 CDIDHN CC(C)OCCNC[C@@H](O)COc1ccc(F)cc1 ZINC000160199262 482788992 /nfs/dbraw/zinc/78/89/92/482788992.db2.gz HWKFCZXBWAWNQF-CYBMUJFWSA-N 0 3 271.332 1.580 20 70 CDIDHN CCCN(CCN(C)C)C(=O)c1cnc2c(c1)ncn2C ZINC000160400632 521656704 /nfs/dbraw/zinc/65/67/04/521656704.db2.gz QBCQVBAPKVNOGH-UHFFFAOYSA-N 0 3 289.383 1.382 20 70 CDIDHN CCn1nc(C(C)C)cc1C(=O)N1CCCNCC1 ZINC000160878103 523614510 /nfs/dbraw/zinc/61/45/10/523614510.db2.gz DDXWUFXCWBSOFM-UHFFFAOYSA-N 0 3 264.373 1.462 20 70 CDIDHN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000161125593 361877033 /nfs/dbraw/zinc/87/70/33/361877033.db2.gz CTJQXMRDIXCDCO-SECBINFHSA-N 0 3 285.369 1.124 20 70 CDIDHN CC(C)[C@@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159648431 342367931 /nfs/dbraw/zinc/36/79/31/342367931.db2.gz XKDXDQCWXBTQIS-ZBFHGGJFSA-N 0 3 276.380 1.744 20 70 CDIDHN C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)c1cnn(C)c1 ZINC000159581779 362345590 /nfs/dbraw/zinc/34/55/90/362345590.db2.gz MTDINCLWNZYWFF-FZMZJTMJSA-N 0 3 272.352 1.167 20 70 CDIDHN CCCCOCCCNCc1cnc(N(C)C)n1C ZINC000160194369 362403702 /nfs/dbraw/zinc/40/37/02/362403702.db2.gz ULNUXMWJVSRMNL-UHFFFAOYSA-N 0 3 268.405 1.783 20 70 CDIDHN CS(=O)(=O)c1ccc(CNCCN2CCCC2)cc1 ZINC000159736713 345263376 /nfs/dbraw/zinc/26/33/76/345263376.db2.gz FEPSUPPLAYDDBU-UHFFFAOYSA-N 0 3 282.409 1.276 20 70 CDIDHN CC1(O)CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000161234338 362872394 /nfs/dbraw/zinc/87/23/94/362872394.db2.gz VGCFFNDWNQPLMS-OAHLLOKOSA-N 0 3 279.380 1.411 20 70 CDIDHN C[C@@H](CNC(=O)[C@@]1(F)CCNC1)Oc1ccccc1F ZINC000161164460 358789855 /nfs/dbraw/zinc/78/98/55/358789855.db2.gz QQENDWVNYQJGQN-IINYFYTJSA-N 0 3 284.306 1.411 20 70 CDIDHN NCC(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160124384 237169610 /nfs/dbraw/zinc/16/96/10/237169610.db2.gz XPHCJZMZEIVFGQ-CQSZACIVSA-N 0 3 262.353 1.546 20 70 CDIDHN CCC[C@H](N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161003616 361611999 /nfs/dbraw/zinc/61/19/99/361611999.db2.gz PLCQTOBDUFLMMA-LURJTMIESA-N 0 3 281.303 1.906 20 70 CDIDHN O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1C[C@H](O)CN1 ZINC000159478378 361711079 /nfs/dbraw/zinc/71/10/79/361711079.db2.gz WTWBKTZLUCYTIV-WCQYABFASA-N 0 3 292.383 1.509 20 70 CDIDHN C[C@@H]1CCCN(CCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159542328 364229891 /nfs/dbraw/zinc/22/98/91/364229891.db2.gz HGCZMBVHPAZGPO-HIFRSBDPSA-N 0 3 276.380 1.568 20 70 CDIDHN CCc1cccc(OC[C@@H](O)CNCC(=O)N(C)CC)c1 ZINC000218112998 373741087 /nfs/dbraw/zinc/74/10/87/373741087.db2.gz OIWPZWGNKQTCHH-AWEZNQCLSA-N 0 3 294.395 1.057 20 70 CDIDHN CC1(C)C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000161489264 377682735 /nfs/dbraw/zinc/68/27/35/377682735.db2.gz JTRDGOYNUKHNDK-ZDUSSCGKSA-N 0 3 295.427 1.870 20 70 CDIDHN COCCNCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000159896431 277533590 /nfs/dbraw/zinc/53/35/90/277533590.db2.gz YCXYWZDQKPABCU-GJZGRUSLSA-N 0 3 290.407 1.935 20 70 CDIDHN C[C@@H](N)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000159380797 292757530 /nfs/dbraw/zinc/75/75/30/292757530.db2.gz YDDRXUJIMGDVQO-MWLCHTKSSA-N 0 3 282.315 1.669 20 70 CDIDHN CC1CCN(CCNC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000160305280 292783101 /nfs/dbraw/zinc/78/31/01/292783101.db2.gz NXCYUHAZSSXHPD-HNNXBMFYSA-N 0 3 283.416 1.275 20 70 CDIDHN CCCCN(C)CCNC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000161202375 342483403 /nfs/dbraw/zinc/48/34/03/342483403.db2.gz TVBOPQIZICTENY-KGLIPLIRSA-N 0 3 285.432 1.521 20 70 CDIDHN CCN1CCCN(C(=O)NCc2ccnc(C)n2)CC1 ZINC000159715525 361808347 /nfs/dbraw/zinc/80/83/47/361808347.db2.gz XCLOLCALWPKLTM-UHFFFAOYSA-N 0 3 277.372 1.022 20 70 CDIDHN c1cc(N2CCN(C[C@H]3CCCCO3)CC2)ccn1 ZINC000161318892 539117541 /nfs/dbraw/zinc/11/75/41/539117541.db2.gz GVGRECMDPQEYAF-OAHLLOKOSA-N 0 3 261.369 1.773 20 70 CDIDHN CCNC(=O)c1cccc(CN[C@@H](CC)COC)c1 ZINC000160199268 362053206 /nfs/dbraw/zinc/05/32/06/362053206.db2.gz JGHBNDHMFOFMJZ-AWEZNQCLSA-N 0 3 264.369 1.951 20 70 CDIDHN CC(C)C[C@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000159666542 363170653 /nfs/dbraw/zinc/17/06/53/363170653.db2.gz GBIQMRKJIFRJQF-GJZGRUSLSA-N 0 3 298.475 1.604 20 70 CDIDHN C[C@@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161035429 188504502 /nfs/dbraw/zinc/50/45/02/188504502.db2.gz WVQUYYIBRTXFOY-LLVKDONJSA-N 0 3 278.352 1.778 20 70 CDIDHN C[C@H](CNC(=O)NCC1(C2CC2)CC1)N(C)C1CC1 ZINC000159867514 363386192 /nfs/dbraw/zinc/38/61/92/363386192.db2.gz TXMFMEAVHUARRF-LLVKDONJSA-N 0 3 265.401 1.959 20 70 CDIDHN Cc1cc(NC(=O)[C@@H](C)N)ccc1OC1CCOCC1 ZINC000160939125 356685810 /nfs/dbraw/zinc/68/58/10/356685810.db2.gz PNSFOPZPKQSCSV-LLVKDONJSA-N 0 3 278.352 1.839 20 70 CDIDHN CN1CC[C@@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000160321816 363815952 /nfs/dbraw/zinc/81/59/52/363815952.db2.gz CHZQIAMHAKNGLZ-LURJTMIESA-N 0 3 266.292 1.921 20 70 CDIDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1F ZINC000160240642 364324280 /nfs/dbraw/zinc/32/42/80/364324280.db2.gz QUMPIYPFDLRPJI-CQSZACIVSA-N 0 3 294.370 1.711 20 70 CDIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3c1cnn3C)CC2 ZINC000160563041 364373574 /nfs/dbraw/zinc/37/35/74/364373574.db2.gz FAXXFQHCOBIBQJ-WCQYABFASA-N 0 3 286.383 1.302 20 70 CDIDHN CCCN(CCO)Cc1cn(C)nc1-c1ccncc1 ZINC000161229399 364467655 /nfs/dbraw/zinc/46/76/55/364467655.db2.gz KFJVIHHPVQTYKG-UHFFFAOYSA-N 0 3 274.368 1.686 20 70 CDIDHN CSCC[C@@H](N)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000161389295 364488552 /nfs/dbraw/zinc/48/85/52/364488552.db2.gz NMHDLGOQCWZYRY-CYBMUJFWSA-N 0 3 295.408 1.688 20 70 CDIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H](O)c1ccccc1 ZINC000161410089 364489178 /nfs/dbraw/zinc/48/91/78/364489178.db2.gz WMSQWAYPWVIRDC-FMKPAKJESA-N 0 3 290.407 1.957 20 70 CDIDHN CN1CCC[C@@H]1CNCc1cnc2ccccc2n1 ZINC000218234455 364995513 /nfs/dbraw/zinc/99/55/13/364995513.db2.gz HRCMMDYYFAMYNB-CYBMUJFWSA-N 0 3 256.353 1.814 20 70 CDIDHN C[C@H](CNC(=O)c1ccc(C(N)=S)cc1)N(C)C1CC1 ZINC000218157189 367261472 /nfs/dbraw/zinc/26/14/72/367261472.db2.gz GOYFYSKMYSZOLT-SNVBAGLBSA-N 0 3 291.420 1.533 20 70 CDIDHN CCN(C)C(=O)CNC[C@H](O)COc1cc(C)ccc1C ZINC000218117048 373741318 /nfs/dbraw/zinc/74/13/18/373741318.db2.gz SJVDAAXRMJUNCC-AWEZNQCLSA-N 0 3 294.395 1.111 20 70 CDIDHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCCN1CCCCC1 ZINC000161358796 296220354 /nfs/dbraw/zinc/22/03/54/296220354.db2.gz VXNVRDRDTQEUJC-KBPBESRZSA-N 0 3 290.473 1.616 20 70 CDIDHN O=C(NCC1CCN(CCO)CC1)[C@@H]1CC=CCC1 ZINC000160546492 377084782 /nfs/dbraw/zinc/08/47/82/377084782.db2.gz FHHPTEFPVZRVKD-CQSZACIVSA-N 0 3 266.385 1.163 20 70 CDIDHN Cc1cc(C)cc(C(=O)NCC2CCN(CCO)CC2)c1 ZINC000160663166 377099106 /nfs/dbraw/zinc/09/91/06/377099106.db2.gz KMMVCZLKWQJHOI-UHFFFAOYSA-N 0 3 290.407 1.738 20 70 CDIDHN CC(C)(C)CC(=O)NCC1CCN(CCO)CC1 ZINC000160673870 377100263 /nfs/dbraw/zinc/10/02/63/377100263.db2.gz ZCESZLQOKKGBKH-UHFFFAOYSA-N 0 3 256.390 1.243 20 70 CDIDHN CCN1CCCN(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000159935119 285215972 /nfs/dbraw/zinc/21/59/72/285215972.db2.gz LDFKDZBVQJYDPM-XJKSGUPXSA-N 0 3 297.443 1.927 20 70 CDIDHN NC1(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000160386584 391509370 /nfs/dbraw/zinc/50/93/70/391509370.db2.gz BWTIANLAJDQKAG-GFCCVEGCSA-N 0 3 290.338 1.738 20 70 CDIDHN CC(C)(C)[C@H](N)C(=O)NCCCOCC1CCOCC1 ZINC000160581317 277248899 /nfs/dbraw/zinc/24/88/99/277248899.db2.gz KMYILZVEROONBR-CYBMUJFWSA-N 0 3 286.416 1.309 20 70 CDIDHN CC(C)(CNC(=O)N1CCC[C@](C)(O)C1)N1CCCCC1 ZINC000159843906 292771524 /nfs/dbraw/zinc/77/15/24/292771524.db2.gz ABCBUNPHUPSSJA-INIZCTEOSA-N 0 3 297.443 1.807 20 70 CDIDHN C[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000161188467 524825137 /nfs/dbraw/zinc/82/51/37/524825137.db2.gz LZGOIDVPFUBZDU-RCOVLWMOSA-N 0 3 264.222 1.893 20 70 CDIDHN CCC(CC)n1nccc1C(=O)NCCN(C)C ZINC000160560845 528913747 /nfs/dbraw/zinc/91/37/47/528913747.db2.gz JWYOOYKEEPGVAD-UHFFFAOYSA-N 0 3 252.362 1.536 20 70 CDIDHN