smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@H](C)CS(=O)(=O)N(C)c1noc2ccc(Cl)cc21 ZINC000585128861 790322979 /nfs/dbraw/zinc/32/29/79/790322979.db2.gz PIZXJXWAKRJFGR-QMMMGPOBSA-N 0 0 318.782 2.282 50 0 DEAARN CC[C@H](Sc1ccccc1)C(=O)NCCCc1c[nH][nH]c1=O ZINC000585131028 790326607 /nfs/dbraw/zinc/32/66/07/790326607.db2.gz JLQJKGDBHXWZKL-JSGCOSHPSA-N 0 0 319.430 2.186 50 0 DEAARN O=C(NO[C@H]1CCCCO1)c1ccc2ccc(O)cc2c1O ZINC000585131683 790328113 /nfs/dbraw/zinc/32/81/13/790328113.db2.gz CVSSJMMRQAHFIL-AWEZNQCLSA-N 0 0 303.314 2.439 50 0 DEAARN Cc1ncoc1CN1C(=O)N[C@]2(CCCc3sccc32)C1=O ZINC000585132914 790328400 /nfs/dbraw/zinc/32/84/00/790328400.db2.gz GOWVGGNBWUOQNU-HNNXBMFYSA-N 0 0 317.370 2.328 50 0 DEAARN C[C@H](CNC(=O)C[C@H](C)N1CCCC1=O)Oc1cccc(F)c1 ZINC000585132522 790328736 /nfs/dbraw/zinc/32/87/36/790328736.db2.gz YVXSGHHYPIZEMX-QWHCGFSZSA-N 0 0 322.380 2.110 50 0 DEAARN Cn1cccc1C(=O)N1CC[C@@H](CCc2noc(C3CC3)n2)C1 ZINC000675023733 778337505 /nfs/dbraw/zinc/33/75/05/778337505.db2.gz INDZEIWZMNNKBR-GFCCVEGCSA-N 0 0 314.389 2.380 50 0 DEAARN CNC(=O)c1c(NC(=O)CCC2CCCCC2)c(C)nn1C ZINC000675027435 778340131 /nfs/dbraw/zinc/34/01/31/778340131.db2.gz JMNFPLBLFQWEIS-UHFFFAOYSA-N 0 0 306.410 2.387 50 0 DEAARN COC[C@@H](O)CNC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000824339154 783590144 /nfs/dbraw/zinc/59/01/44/783590144.db2.gz SLTXJMVDIWPSGM-INIZCTEOSA-N 0 0 303.333 2.230 50 0 DEAARN Cc1cccc(-n2nc(C(C)C)nc2-c2ccc(=O)n(C)c2)n1 ZINC000825230891 783622147 /nfs/dbraw/zinc/62/21/47/783622147.db2.gz HKJZUPNCTBXCTD-UHFFFAOYSA-N 0 0 309.373 2.460 50 0 DEAARN Cc1n[nH]c(C)c1CNC(=O)CC(=O)Nc1cccc(C)c1C ZINC000827792119 783689820 /nfs/dbraw/zinc/68/98/20/783689820.db2.gz LAZGPPSFEHDYPJ-UHFFFAOYSA-N 0 0 314.389 2.288 50 0 DEAARN Cc1nccn1[C@H](C)CC(=O)NCCc1cn2ccccc2n1 ZINC000827802697 783690225 /nfs/dbraw/zinc/69/02/25/783690225.db2.gz UEFLLFSNOUNJIS-CYBMUJFWSA-N 0 0 311.389 2.149 50 0 DEAARN CC(C)c1noc([C@@H](C)NC(=O)CCc2csc(N)n2)n1 ZINC000827999714 783721254 /nfs/dbraw/zinc/72/12/54/783721254.db2.gz IQKBCJKKHMKWSR-MRVPVSSYSA-N 0 0 309.395 2.042 50 0 DEAARN CC[C@H](C)Cc1nc(-c2cc(C(F)F)nn2C)n(CCO)n1 ZINC000828778573 783850803 /nfs/dbraw/zinc/85/08/03/783850803.db2.gz ZVEWEYWIJMFGMH-VIFPVBQESA-N 0 0 313.352 2.197 50 0 DEAARN CN(CC(=O)NCc1cccc(CO)c1)Cc1ccc(F)cc1 ZINC000828827657 783861841 /nfs/dbraw/zinc/86/18/41/783861841.db2.gz WUOKZUAFQYYSNC-UHFFFAOYSA-N 0 0 316.376 2.066 50 0 DEAARN O=C(Cc1ccccc1)N1CC[C@H](Cc2nncn2CC2CC2)C1 ZINC000581780229 784773652 /nfs/dbraw/zinc/77/36/52/784773652.db2.gz UETIRHRHONNTTE-QGZVFWFLSA-N 0 0 324.428 2.322 50 0 DEAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCCC(=O)N2C)cc1 ZINC000581785557 784777748 /nfs/dbraw/zinc/77/77/48/784777748.db2.gz MHPRVSKRQWFYAH-MRXNPFEDSA-N 0 0 318.417 2.491 50 0 DEAARN Cc1noc(-c2ccccc2O[C@H]2CCN(C(=O)C3CC3)C2)n1 ZINC000581790551 784780241 /nfs/dbraw/zinc/78/02/41/784780241.db2.gz UDAODFAPMKYUHD-ZDUSSCGKSA-N 0 0 313.357 2.435 50 0 DEAARN CCc1cccc(NC(=O)[C@@H]2CCN(c3cn[nH]c(=O)c3)C2)c1 ZINC000581793175 784782201 /nfs/dbraw/zinc/78/22/01/784782201.db2.gz XNXQPLOXYGKKNV-CYBMUJFWSA-N 0 0 312.373 2.210 50 0 DEAARN Cc1noc(C[C@@H]2CCOC3(CCN(C(=O)C4CC4)CC3)C2)n1 ZINC000581804686 784784691 /nfs/dbraw/zinc/78/46/91/784784691.db2.gz XQZOIAHTLMQNLX-ZDUSSCGKSA-N 0 0 319.405 2.118 50 0 DEAARN Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](CCO)CCO3)cn1 ZINC000581810974 784787044 /nfs/dbraw/zinc/78/70/44/784787044.db2.gz IVCIXVYAHKCZNF-OAHLLOKOSA-N 0 0 318.417 2.174 50 0 DEAARN COCCCn1c(C)cnc1[C@H]1CCN(C(=O)NC(C)C)C1 ZINC000581815674 784787909 /nfs/dbraw/zinc/78/79/09/784787909.db2.gz FUAUQFLEUKMNAU-AWEZNQCLSA-N 0 0 308.426 2.135 50 0 DEAARN C[C@@H](CC(=O)NC1(CCO)CCOCC1)Cc1cccc(F)c1 ZINC000584908442 789635584 /nfs/dbraw/zinc/63/55/84/789635584.db2.gz VVUPZPRZKNVKJL-CQSZACIVSA-N 0 0 323.408 2.442 50 0 DEAARN Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1nccc2ccncc21 ZINC000585080421 789679250 /nfs/dbraw/zinc/67/92/50/789679250.db2.gz OBKJEHUAIGIPNW-LBPRGKRZSA-N 0 0 307.357 2.422 50 0 DEAARN Cc1cccc(C)c1OC1CCN(C(=O)c2cn(C)nn2)CC1 ZINC000585083755 789681032 /nfs/dbraw/zinc/68/10/32/789681032.db2.gz HAJXORGEZONMPG-UHFFFAOYSA-N 0 0 314.389 2.116 50 0 DEAARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000585087905 789689072 /nfs/dbraw/zinc/68/90/72/789689072.db2.gz AQVPTVDAIAQBTP-BXKDBHETSA-N 0 0 322.409 2.213 50 0 DEAARN Cc1nc(C(=O)N2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(C)o1 ZINC000585088072 789689351 /nfs/dbraw/zinc/68/93/51/789689351.db2.gz JFZYXVJZINPWEE-MWLCHTKSSA-N 0 0 306.284 2.209 50 0 DEAARN CCC(CC)n1ncc(C(=O)N[C@@H](CO)c2ccccn2)c1C ZINC000585087751 789689602 /nfs/dbraw/zinc/68/96/02/789689602.db2.gz NDFOZWUQQSTNKR-INIZCTEOSA-N 0 0 316.405 2.411 50 0 DEAARN CNC(=O)[C@H]1CCC[C@H]1Nc1ncnc(-c2cccc(F)c2)n1 ZINC000585092511 789693436 /nfs/dbraw/zinc/69/34/36/789693436.db2.gz BEUIQZNCNDOBHD-QWHCGFSZSA-N 0 0 315.352 2.004 50 0 DEAARN COc1ccc(S(=O)(=O)N2CCC(=O)[C@H]3CCC[C@H]32)c(C)c1 ZINC000585114663 789701270 /nfs/dbraw/zinc/70/12/70/789701270.db2.gz QIISYBCSLPOBEE-UONOGXRCSA-N 0 0 323.414 2.136 50 0 DEAARN CCOC1(CS(=O)(=O)Oc2ccc(OC)cc2)CCC1 ZINC000585115708 789702180 /nfs/dbraw/zinc/70/21/80/789702180.db2.gz PQFKWGFGRSEXLP-UHFFFAOYSA-N 0 0 300.376 2.363 50 0 DEAARN CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NCc2cscn2)n1 ZINC000585117023 789703856 /nfs/dbraw/zinc/70/38/56/789703856.db2.gz PGQLYDMHDWQQNK-LLVKDONJSA-N 0 0 323.422 2.315 50 0 DEAARN C[C@H](ONC(=O)N(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000585122928 789708841 /nfs/dbraw/zinc/70/88/41/789708841.db2.gz JKQNXLDGMHKRBH-QMMMGPOBSA-N 0 0 319.283 2.235 50 0 DEAARN CC1CCN(C(=O)Cn2ccc(-c3ccccc3)nc2=O)CC1 ZINC000585122907 789709008 /nfs/dbraw/zinc/70/90/08/789709008.db2.gz HSDZZDVIFPQDIH-UHFFFAOYSA-N 0 0 311.385 2.169 50 0 DEAARN CN=[S@](C)(=O)c1cccc(NC(=O)N2CCSCC2)c1 ZINC000585119855 789709346 /nfs/dbraw/zinc/70/93/46/789709346.db2.gz XLBBLJOXCCTFFX-HXUWFJFHSA-N 0 0 313.448 2.354 50 0 DEAARN COc1ccc(C(=O)NCc2cc(C3CC3)ncn2)cc1F ZINC000585361166 791833062 /nfs/dbraw/zinc/83/30/62/791833062.db2.gz UAHHQCSUHYVDRM-UHFFFAOYSA-N 0 0 301.321 2.432 50 0 DEAARN COc1cccc([C@H](O)Cn2nnc(Cc3ccccc3C)n2)c1 ZINC000193394678 791875648 /nfs/dbraw/zinc/87/56/48/791875648.db2.gz JFHOYMWGEROLLK-QGZVFWFLSA-N 0 0 324.384 2.315 50 0 DEAARN O=C(NCC1CCN(C(=O)[C@H]2CC23CC3)CC1)c1ccco1 ZINC000949547622 792315832 /nfs/dbraw/zinc/31/58/32/792315832.db2.gz ZSHQOGIZDWCRBG-CYBMUJFWSA-N 0 0 302.374 2.048 50 0 DEAARN Cn1ccnc1SCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000952860349 792782630 /nfs/dbraw/zinc/78/26/30/792782630.db2.gz MWWKDTDAHGLAQX-AWEZNQCLSA-N 0 0 317.414 2.112 50 0 DEAARN COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2nncn2C)cc1 ZINC000952868293 792784690 /nfs/dbraw/zinc/78/46/90/792784690.db2.gz IUERZQRGHYPXCG-NSHDSACASA-N 0 0 312.377 2.065 50 0 DEAARN CC[C@@H](c1cccnc1)N(C)S(=O)(=O)c1c(C)n[nH]c1C ZINC000952873661 792789986 /nfs/dbraw/zinc/78/99/86/792789986.db2.gz MRCRTJPDIQPSPS-ZDUSSCGKSA-N 0 0 308.407 2.193 50 0 DEAARN CCCc1cc(-c2ncnn2-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000952872877 792790681 /nfs/dbraw/zinc/79/06/81/792790681.db2.gz QVFIICKAPRJMMK-UHFFFAOYSA-N 0 0 311.345 2.381 50 0 DEAARN COCC(C)(C)c1noc(-c2cccnc2-c2cnn(C)c2)n1 ZINC000952876146 792791848 /nfs/dbraw/zinc/79/18/48/792791848.db2.gz CBWKPCJOWXEJPR-UHFFFAOYSA-N 0 0 313.361 2.456 50 0 DEAARN Cn1cc(-c2cc(F)ccc2OC[C@H]2CCCO2)cc(N)c1=O ZINC000952878709 792793468 /nfs/dbraw/zinc/79/34/68/792793468.db2.gz HYLQJCVRMTVVKW-CYBMUJFWSA-N 0 0 318.348 2.331 50 0 DEAARN CCCCNC(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC000952883164 792797669 /nfs/dbraw/zinc/79/76/69/792797669.db2.gz XDJOSEULQCWMGL-SECBINFHSA-N 0 0 319.331 2.002 50 0 DEAARN CC(C)NC(=O)c1nnc2n1CCCC[C@@H]2C1CCOCC1 ZINC000952883956 792798810 /nfs/dbraw/zinc/79/88/10/792798810.db2.gz UJKVWBVKRCMRBJ-CYBMUJFWSA-N 0 0 306.410 2.110 50 0 DEAARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1NC(=O)c1cncn1C ZINC000952968529 792848177 /nfs/dbraw/zinc/84/81/77/792848177.db2.gz FACZIIUOUIDRLJ-UHFFFAOYSA-N 0 0 309.329 2.143 50 0 DEAARN CCCCOCC(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000952991540 792852091 /nfs/dbraw/zinc/85/20/91/792852091.db2.gz ZRPUVSIDTYVHKN-CQSZACIVSA-N 0 0 310.438 2.053 50 0 DEAARN Cc1ccccc1CCC(=O)N1CCN(c2cccnc2)C(=O)C1 ZINC000952993248 792854206 /nfs/dbraw/zinc/85/42/06/792854206.db2.gz HVRUMQDKYDLSCD-UHFFFAOYSA-N 0 0 323.396 2.198 50 0 DEAARN Cn1cnnc1[C@H]1CCN(c2ccnc(Cc3ccccc3)n2)C1 ZINC000952993574 792854895 /nfs/dbraw/zinc/85/48/95/792854895.db2.gz ZIGKIVQWNJRZMB-HNNXBMFYSA-N 0 0 320.400 2.190 50 0 DEAARN CCNc1cc(CNC(=O)NC[C@H](O)C(CC)CC)ccn1 ZINC000952992505 792855038 /nfs/dbraw/zinc/85/50/38/792855038.db2.gz GWMDRKUJLNVMJN-AWEZNQCLSA-N 0 0 308.426 2.110 50 0 DEAARN CCn1cc(CNc2nc3cccc(C)c3s2)c(=O)[nH]c1=O ZINC000952994029 792855928 /nfs/dbraw/zinc/85/59/28/792855928.db2.gz OIDZVAQSLDTWLK-UHFFFAOYSA-N 0 0 316.386 2.499 50 0 DEAARN C[C@H](NCc1ccc(N(C)C)nc1)c1nc(-c2ccncc2)no1 ZINC000952982705 792859894 /nfs/dbraw/zinc/85/98/94/792859894.db2.gz RDBQMPKTFHLWTA-LBPRGKRZSA-N 0 0 324.388 2.443 50 0 DEAARN CCCCOCC(=O)N1CCC[C@@H](CNC(=O)C2CCCC2)C1 ZINC000952983929 792862567 /nfs/dbraw/zinc/86/25/67/792862567.db2.gz SOULHONHRGGCDX-HNNXBMFYSA-N 0 0 324.465 2.348 50 0 DEAARN Cc1cc([C@@H]2CCCN2C(=O)CCN2CCCCCC2=O)no1 ZINC000952991108 792873313 /nfs/dbraw/zinc/87/33/13/792873313.db2.gz MJNFFVMTTQXFRR-HNNXBMFYSA-N 0 0 319.405 2.439 50 0 DEAARN CO[C@H]1COC[C@@H]1Nc1cc(Sc2cccs2)nc(N)n1 ZINC001529102133 1070857466 /nfs/dbraw/zinc/85/74/66/1070857466.db2.gz XUORQYCUOVHOLR-IUCAKERBSA-N 0 0 324.431 2.097 50 0 DEAARN CO[C@H](C)c1nnc(NC(=O)c2cnc(C3CC3)nc2)s1 ZINC001529110306 1070860617 /nfs/dbraw/zinc/86/06/17/1070860617.db2.gz LSTRNAXJOSRSMN-SSDOTTSWSA-N 0 0 305.363 2.165 50 0 DEAARN CN(C)c1nc(NCc2nncn2C2CCCCC2)ncc1F ZINC001529114987 1070867028 /nfs/dbraw/zinc/86/70/28/1070867028.db2.gz WVKJZXVWFLXIKJ-UHFFFAOYSA-N 0 0 319.388 2.391 50 0 DEAARN CCCc1nc(N2CCN(c3ncccc3Cl)CC2)no1 ZINC001529121069 1070867059 /nfs/dbraw/zinc/86/70/59/1070867059.db2.gz ZTWDQXKKNCPPDP-UHFFFAOYSA-N 0 0 307.785 2.397 50 0 DEAARN C[N@H+](Cc1ccc(CC(=O)[O-])cc1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529119979 1070867657 /nfs/dbraw/zinc/86/76/57/1070867657.db2.gz PMSVUWGXWDAWPK-WNKDZCFJSA-N 0 0 303.402 2.295 50 0 DEAARN O=C(CCc1ccccc1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001529134055 1070872998 /nfs/dbraw/zinc/87/29/98/1070872998.db2.gz YTXYRJRKRIABER-MSOLQXFVSA-N 0 0 310.397 2.076 50 0 DEAARN CN(C)C(=O)CC[N@H+](C)[C@@H](C(=O)[O-])c1cc2ccccc2s1 ZINC001529139771 1070877282 /nfs/dbraw/zinc/87/72/82/1070877282.db2.gz SOLOHRUUKLOFHH-OAHLLOKOSA-N 0 0 320.414 2.437 50 0 DEAARN Cc1ccc2nc(C(=O)Nc3cnn4c3NCCC4)c(F)n2c1 ZINC001529174517 1070901775 /nfs/dbraw/zinc/90/17/75/1070901775.db2.gz XFUWSLXODDEWDC-UHFFFAOYSA-N 0 0 314.324 2.046 50 0 DEAARN Cc1nccn1CC(=O)N1CCC([C@H](O)c2cccs2)CC1 ZINC001506396976 1061935396 /nfs/dbraw/zinc/93/53/96/1061935396.db2.gz KTMPNVXAISTPIC-INIZCTEOSA-N 0 0 319.430 2.225 50 0 DEAARN CN(C)C(=O)[C@H]1CN(c2ccnc3ccc(Cl)cc32)CCO1 ZINC001506401731 1061942610 /nfs/dbraw/zinc/94/26/10/1061942610.db2.gz JUPYIDDSHBLOKU-OAHLLOKOSA-N 0 0 319.792 2.182 50 0 DEAARN Cc1n[nH]cc1CN(C)C(=O)CC(=O)Nc1cccc(C)c1 ZINC001506401656 1061944363 /nfs/dbraw/zinc/94/43/63/1061944363.db2.gz FPJGEJCFJMTJBY-UHFFFAOYSA-N 0 0 300.362 2.014 50 0 DEAARN CCc1c(C)noc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001506406115 1061946245 /nfs/dbraw/zinc/94/62/45/1061946245.db2.gz YZXXPKHNXPJHQN-NSHDSACASA-N 0 0 305.378 2.275 50 0 DEAARN COC[C@H](c1ccccn1)N(C)C(=O)CNc1ccc(F)cc1 ZINC001506406360 1061948374 /nfs/dbraw/zinc/94/83/74/1061948374.db2.gz HIILBAQQTXXFOZ-MRXNPFEDSA-N 0 0 317.364 2.479 50 0 DEAARN CC1=C(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)OCCO1 ZINC001506404526 1061948952 /nfs/dbraw/zinc/94/89/52/1061948952.db2.gz FBDZDDRMUGPIFK-CQSZACIVSA-N 0 0 307.321 2.004 50 0 DEAARN CSc1cccc(CN(C)c2nc(N)nc3nc[nH]c32)c1 ZINC001506405498 1061948972 /nfs/dbraw/zinc/94/89/72/1061948972.db2.gz FDIXJAMTHAIYME-UHFFFAOYSA-N 0 0 300.391 2.293 50 0 DEAARN CN(CC(=O)Nc1nnc([C@@H]2CCCO2)s1)Cc1ccoc1 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ZINC000257177483 402700796 /nfs/dbraw/zinc/70/07/96/402700796.db2.gz DUSJLPQKYVMCIQ-UHFFFAOYSA-N 0 0 300.402 2.380 50 0 DEAARN O=C(C1CC1)N1CCC(F)(F)[C@H](COCc2cccnc2)C1 ZINC000257191638 402701639 /nfs/dbraw/zinc/70/16/39/402701639.db2.gz QUVKXCKZUDOBHJ-AWEZNQCLSA-N 0 0 310.344 2.492 50 0 DEAARN Cc1cnn([C@H]2CCCN(C(=O)CCC(=O)OC(C)(C)C)C2)c1 ZINC000192391109 402726455 /nfs/dbraw/zinc/72/64/55/402726455.db2.gz JLGQJNNMMWQJMZ-AWEZNQCLSA-N 0 0 321.421 2.477 50 0 DEAARN CC(C)(C)OC(=O)CCC(=O)N1CCC(n2ccnc2)CC1 ZINC000192390085 402726486 /nfs/dbraw/zinc/72/64/86/402726486.db2.gz OUCFPCVVGZZFEU-UHFFFAOYSA-N 0 0 307.394 2.169 50 0 DEAARN CN(C)S(=O)(=O)c1cccc(NCc2cc(O)cc(F)c2)c1 ZINC000184137677 402821490 /nfs/dbraw/zinc/82/14/90/402821490.db2.gz BJDRWWBCKKBBCR-UHFFFAOYSA-N 0 0 324.377 2.394 50 0 DEAARN Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000175868272 402839391 /nfs/dbraw/zinc/83/93/91/402839391.db2.gz YFISWQJCWGJUJJ-OAHLLOKOSA-N 0 0 314.389 2.210 50 0 DEAARN CCCc1occc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000280969276 403055302 /nfs/dbraw/zinc/05/53/02/403055302.db2.gz JADGUUAGCHWAPW-UHFFFAOYSA-N 0 0 316.357 2.423 50 0 DEAARN C[C@@H]1COC2(CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)O1 ZINC000078846250 297116045 /nfs/dbraw/zinc/11/60/45/297116045.db2.gz LMRDCQWSYNTMPM-KOLCDFICSA-N 0 0 308.205 2.324 50 0 DEAARN CC(=O)N(C[C@H]1CCCN1C(=O)c1ccc(O)cc1F)C1CC1 ZINC000276360059 403167399 /nfs/dbraw/zinc/16/73/99/403167399.db2.gz IEKHBZMUBANGLZ-CYBMUJFWSA-N 0 0 320.364 2.147 50 0 DEAARN O=C(N[C@H](CO)Cc1ccc(O)cc1)[C@@H]1CCCC(F)(F)C1 ZINC000282271317 403138583 /nfs/dbraw/zinc/13/85/83/403138583.db2.gz DIGLZQYHUJKYGI-OLZOCXBDSA-N 0 0 313.344 2.237 50 0 DEAARN COc1ccc2c(c1)OC[C@H](NC(=O)NC1CCSCC1)C2 ZINC000271105591 403264682 /nfs/dbraw/zinc/26/46/82/403264682.db2.gz ZTTWETAIVRORTJ-CYBMUJFWSA-N 0 0 322.430 2.194 50 0 DEAARN CC(C)C[C@H]1OCCC[C@H]1NC(=O)[C@@H](O)Cc1ccccc1 ZINC000331047270 403316784 /nfs/dbraw/zinc/31/67/84/403316784.db2.gz GYNCPISWTHQYPY-IXDOHACOSA-N 0 0 305.418 2.300 50 0 DEAARN COCc1noc([C@@H](C)N2CCN(Cc3cccs3)CC2)n1 ZINC000332098834 403482987 /nfs/dbraw/zinc/48/29/87/403482987.db2.gz PGGTZLNGUTZCFZ-GFCCVEGCSA-N 0 0 322.434 2.156 50 0 DEAARN Cc1cccc(C(=O)N2CCC(CS(C)(=O)=O)CC2)c1C ZINC000293634535 403524290 /nfs/dbraw/zinc/52/42/90/403524290.db2.gz AQQHYIFDXZDXKF-UHFFFAOYSA-N 0 0 309.431 2.200 50 0 DEAARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3c(cnn3C)c2)[nH]n1 ZINC000299759905 403566593 /nfs/dbraw/zinc/56/65/93/403566593.db2.gz OSEGQLITCWYPSV-SNVBAGLBSA-N 0 0 312.377 2.358 50 0 DEAARN COc1nc(C)c(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000299762647 403567882 /nfs/dbraw/zinc/56/78/82/403567882.db2.gz YBHIMMYLHZENCN-JTQLQIEISA-N 0 0 306.391 2.203 50 0 DEAARN CSCCCNC(=O)c1cccc(-c2cc(N)ncn2)c1 ZINC000299765533 403569384 /nfs/dbraw/zinc/56/93/84/403569384.db2.gz HWSPEBXMUZEMMH-UHFFFAOYSA-N 0 0 302.403 2.209 50 0 DEAARN Cc1nnc(CN2CCC(OCc3ccccn3)CC2)s1 ZINC000299765747 403569683 /nfs/dbraw/zinc/56/96/83/403569683.db2.gz ABRBOBBFOWSIKJ-UHFFFAOYSA-N 0 0 304.419 2.423 50 0 DEAARN CCc1nccn1CCC(=O)NCc1nc2c(s1)CCCC2 ZINC000299782962 403573324 /nfs/dbraw/zinc/57/33/24/403573324.db2.gz NRNUAVHEIFUHSC-UHFFFAOYSA-N 0 0 318.446 2.487 50 0 DEAARN CC(C)c1noc([C@@H](C)NC(=O)CCC(=O)NC2CCCC2)n1 ZINC000299781671 403573428 /nfs/dbraw/zinc/57/34/28/403573428.db2.gz RLNDJLKMCKYLCC-LLVKDONJSA-N 0 0 322.409 2.209 50 0 DEAARN Cc1ccn(CCC(=O)N2CC(OCc3cccc(F)c3)C2)n1 ZINC000299780049 403573597 /nfs/dbraw/zinc/57/35/97/403573597.db2.gz BBXWFDDTSNBOME-UHFFFAOYSA-N 0 0 317.364 2.148 50 0 DEAARN Cc1noc(C)c1NC(=O)NCCc1nc2c(c(C)n1)CCC2 ZINC000299793349 403577138 /nfs/dbraw/zinc/57/71/38/403577138.db2.gz IOVOKKONMCEEKD-UHFFFAOYSA-N 0 0 315.377 2.243 50 0 DEAARN CCc1nc(C)c(CNC(=O)c2ccn(CC)c(=O)c2)s1 ZINC000299794458 403577584 /nfs/dbraw/zinc/57/75/84/403577584.db2.gz JXXVSJIENRXPIL-UHFFFAOYSA-N 0 0 305.403 2.126 50 0 DEAARN O=C(CN1CCOC1=O)NCC1(c2ccccc2F)CCCC1 ZINC000299803071 403579246 /nfs/dbraw/zinc/57/92/46/403579246.db2.gz VZFSUPTWOLHCLA-UHFFFAOYSA-N 0 0 320.364 2.206 50 0 DEAARN COc1ccc(OC)c2c1CN(c1nc(C)cc(C)n1)C[C@@H]2O ZINC000013003930 286345353 /nfs/dbraw/zinc/34/53/53/286345353.db2.gz SMMPXLDLKAUHES-ZDUSSCGKSA-N 0 0 315.373 2.164 50 0 DEAARN COc1coc(C(=O)N2CCc3c([nH]c4ccccc43)C2)cc1=O ZINC000369054426 403950270 /nfs/dbraw/zinc/95/02/70/403950270.db2.gz KTIXEYVISUADHC-UHFFFAOYSA-N 0 0 324.336 2.328 50 0 biogenic DEAARN O=C([C@@H]1CCC(=O)NC1)N1CCC(Cc2cccnc2)CC1 ZINC000329119522 404236756 /nfs/dbraw/zinc/23/67/56/404236756.db2.gz PELHQSZROQEUFZ-OAHLLOKOSA-N 0 0 301.390 2.229 50 0 DEAARN Cc1nc(C(C)C)oc1C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000329103089 404229970 /nfs/dbraw/zinc/22/99/70/404229970.db2.gz NODLXWWOSIHVKR-GXTWGEPZSA-N 0 0 321.421 2.042 50 0 DEAARN C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1nccn1C)C(F)(F)F ZINC000296717827 404315159 /nfs/dbraw/zinc/31/51/59/404315159.db2.gz WDALVPADMFCSCL-BDAKNGLRSA-N 0 0 304.316 2.463 50 0 DEAARN COc1ccc(C(C)(C)C(=O)N[C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000338526957 404382807 /nfs/dbraw/zinc/38/28/07/404382807.db2.gz SVWXSZPAVFYWAE-CQSZACIVSA-N 0 0 318.417 2.146 50 0 DEAARN O=C1CC[C@@H](Nc2ccc(Br)cn2)[C@@H](C2CC2)N1 ZINC000367813196 405163008 /nfs/dbraw/zinc/16/30/08/405163008.db2.gz MAECFVYVYLELJH-ZWNOBZJWSA-N 0 0 310.195 2.313 50 0 DEAARN COc1nc(C(=O)NO[C@@H]2CCCCO2)cc2ccccc21 ZINC000072059772 286547255 /nfs/dbraw/zinc/54/72/55/286547255.db2.gz NHJFVXPNLBCMBC-CQSZACIVSA-N 0 0 302.330 2.431 50 0 DEAARN Cc1ccc(C(=O)NCCc2nc(C3CC3)no2)n1C(F)F ZINC000426403465 405357691 /nfs/dbraw/zinc/35/76/91/405357691.db2.gz GDLQAWIUBHRKBH-UHFFFAOYSA-N 0 0 310.304 2.425 50 0 DEAARN Cc1nc2cc(CNC(=O)C[C@@H]3CCCOC3)ccc2n1C ZINC000426397441 405357744 /nfs/dbraw/zinc/35/77/44/405357744.db2.gz OWVOXFVAKZWOIN-AWEZNQCLSA-N 0 0 301.390 2.315 50 0 DEAARN CC[C@H](NC(=O)Cc1c(C)nc2ccccn21)c1ccnn1C ZINC000426411467 405358261 /nfs/dbraw/zinc/35/82/61/405358261.db2.gz OJADPTOVDHGWJT-ZDUSSCGKSA-N 0 0 311.389 2.186 50 0 DEAARN Cc1nnsc1CN(C)C(=O)c1ccc2c(c1)CCCO2 ZINC000426361109 405354130 /nfs/dbraw/zinc/35/41/30/405354130.db2.gz DQISYXSFFKSMGK-UHFFFAOYSA-N 0 0 303.387 2.444 50 0 DEAARN Cc1cc(C)n(CC2(CNC(=O)c3ccn(C)c3C)CC2)n1 ZINC000426434002 405360320 /nfs/dbraw/zinc/36/03/20/405360320.db2.gz HMAMHBVMBCZIOZ-UHFFFAOYSA-N 0 0 300.406 2.357 50 0 DEAARN Cc1cc(C)cc(-c2cncc(C(=O)N3CCN(C)CC3)n2)c1 ZINC000426484380 405362940 /nfs/dbraw/zinc/36/29/40/405362940.db2.gz BTNOCWWPLCYCTH-UHFFFAOYSA-N 0 0 310.401 2.148 50 0 DEAARN CN(Cc1[nH]nc2c1CCC2)C(=O)c1ccc2c(c1)CCCO2 ZINC000426489297 405363916 /nfs/dbraw/zinc/36/39/16/405363916.db2.gz BLHXUSYBTPJTON-UHFFFAOYSA-N 0 0 311.385 2.496 50 0 DEAARN CCc1nccn1CCCNC(=O)N(C)[C@H]1CCOC(C)(C)C1 ZINC000426537715 405367396 /nfs/dbraw/zinc/36/73/96/405367396.db2.gz OKGDSJLCVOXMPJ-AWEZNQCLSA-N 0 0 322.453 2.435 50 0 DEAARN Cn1nc(C(F)(F)F)nc1-c1ccc(N2CCOCC2)cc1 ZINC000426551788 405368288 /nfs/dbraw/zinc/36/82/88/405368288.db2.gz KKKYPTHLMJVACK-UHFFFAOYSA-N 0 0 312.295 2.338 50 0 DEAARN COc1ccc2c(c1)[C@@H](C)N(C(=O)Cc1c(C)[nH][nH]c1=O)CC2 ZINC000426545471 405368601 /nfs/dbraw/zinc/36/86/01/405368601.db2.gz ZXIGFUUXSMIHTQ-LLVKDONJSA-N 0 0 315.373 2.121 50 0 DEAARN Cc1ccc2[nH]c([C@H](C)NC(=O)N3CCC(O)CC3)nc2c1 ZINC000426584594 405369704 /nfs/dbraw/zinc/36/97/04/405369704.db2.gz DFHZNFRXSDEPMV-NSHDSACASA-N 0 0 302.378 2.099 50 0 DEAARN COc1cc(C(=O)N(C)Cc2cnccn2)c2ccccc2n1 ZINC000426581273 405369781 /nfs/dbraw/zinc/36/97/81/405369781.db2.gz PCZYRIDXTYVHBD-UHFFFAOYSA-N 0 0 308.341 2.306 50 0 DEAARN O=C(c1ccc[nH]1)N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000426612530 405370917 /nfs/dbraw/zinc/37/09/17/405370917.db2.gz OBIANUXPJBRLST-INIZCTEOSA-N 0 0 323.396 2.029 50 0 DEAARN Cc1nc(C)n(CCCNC(=O)c2ccc3c(c2)CCCO3)n1 ZINC000426658447 405373230 /nfs/dbraw/zinc/37/32/30/405373230.db2.gz PBWZCPGGCGKTGY-UHFFFAOYSA-N 0 0 314.389 2.040 50 0 DEAARN Cc1ccc(OC[C@@H](O)CNC(=O)NC(C2CC2)C2CC2)cc1 ZINC000426678110 405373699 /nfs/dbraw/zinc/37/36/99/405373699.db2.gz NPGPACGETVSOSB-HNNXBMFYSA-N 0 0 318.417 2.223 50 0 DEAARN COc1ccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c(C)c1 ZINC000426690210 405374609 /nfs/dbraw/zinc/37/46/09/405374609.db2.gz BLQNJUAFQGNIJZ-UHFFFAOYSA-N 0 0 300.358 2.471 50 0 DEAARN COc1ccc([C@@H](NC(=O)NCc2cnc(C)o2)C2CC2)cn1 ZINC000528011046 405478326 /nfs/dbraw/zinc/47/83/26/405478326.db2.gz OCTUPDCFAGCFJR-HNNXBMFYSA-N 0 0 316.361 2.337 50 0 DEAARN CCn1cc(C2CCN(c3cc(C)nc(OC)n3)CC2)cn1 ZINC000580610665 405654089 /nfs/dbraw/zinc/65/40/89/405654089.db2.gz BNUSJKPQKPUUCS-UHFFFAOYSA-N 0 0 301.394 2.394 50 0 DEAARN Cc1cc(S(=O)(=O)N2CCOc3ccc(F)cc32)sn1 ZINC000585119024 405870831 /nfs/dbraw/zinc/87/08/31/405870831.db2.gz NCDCSTQTVYSDNC-UHFFFAOYSA-N 0 0 314.363 2.178 50 0 DEAARN C[C@H](CCO)NC(=O)c1nccnc1SCc1ccccc1 ZINC000585122106 405872006 /nfs/dbraw/zinc/87/20/06/405872006.db2.gz NXBNDMQKVGTVSU-GFCCVEGCSA-N 0 0 317.414 2.270 50 0 DEAARN CC[C@@H]1C[C@H](CC(=O)N[C@H](C(=O)OC)c2cccnc2)CCO1 ZINC000584908495 405865361 /nfs/dbraw/zinc/86/53/61/405865361.db2.gz OIVAEUGCNHPIGU-XPKDYRNWSA-N 0 0 320.389 2.007 50 0 DEAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(C)=O)c(C)c1 ZINC000585114474 405867703 /nfs/dbraw/zinc/86/77/03/405867703.db2.gz CLWYVKACDNZCEJ-AWEZNQCLSA-N 0 0 311.403 2.136 50 0 DEAARN COCCC[C@@]1(CO)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000091269782 292379333 /nfs/dbraw/zinc/37/93/33/292379333.db2.gz UVKYTKAEIMSTEZ-SFHVURJKSA-N 0 0 321.417 2.386 50 0 DEAARN CC(C)CN1CCN(C(=O)NCc2cccs2)[C@@H](C)C1=O ZINC000487951731 406275088 /nfs/dbraw/zinc/27/50/88/406275088.db2.gz QXGWYVTXEYYYQX-LBPRGKRZSA-N 0 0 309.435 2.146 50 0 DEAARN COC1CCN(C2CN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000575607457 406813544 /nfs/dbraw/zinc/81/35/44/406813544.db2.gz UETVDPYXQMGVDG-UHFFFAOYSA-N 0 0 314.838 2.337 50 0 DEAARN Cc1cc(-c2noc(CNC(=O)c3sccc3C)n2)no1 ZINC000575617195 406814500 /nfs/dbraw/zinc/81/45/00/406814500.db2.gz QOJPWYWFWSMPOZ-UHFFFAOYSA-N 0 0 304.331 2.333 50 0 DEAARN O=C(Nc1cccs1)NC1CCN(c2cnsn2)CC1 ZINC000575616939 406814680 /nfs/dbraw/zinc/81/46/80/406814680.db2.gz SZBGVVQTFIVCNK-UHFFFAOYSA-N 0 0 309.420 2.390 50 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CC(=O)c1ccc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 ZINC000006503405 181346565 /nfs/dbraw/zinc/34/65/65/181346565.db2.gz ZJIOMBNUZZOXOB-UHFFFAOYSA-N 0 0 309.325 2.205 50 0 DEAARN O=C1CN(Cc2noc(-c3ccsc3)n2)[C@@H]2CCCC[C@H]2N1 ZINC000245339196 202514995 /nfs/dbraw/zinc/51/49/95/202514995.db2.gz RDGCDRVPNKBGMW-VXGBXAGGSA-N 0 0 318.402 2.041 50 0 DEAARN CCCNC(=O)[C@@H](C)NC(=O)Cc1c(F)cccc1Cl ZINC000006540616 181352922 /nfs/dbraw/zinc/35/29/22/181352922.db2.gz UPULFOJAETXBNM-SECBINFHSA-N 0 0 300.761 2.053 50 0 DEAARN O=C(CN1CCc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000006586588 181357746 /nfs/dbraw/zinc/35/77/46/181357746.db2.gz NFODEJFTCBXSPO-UHFFFAOYSA-N 0 0 321.424 2.398 50 0 DEAARN CCCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000006624507 181362264 /nfs/dbraw/zinc/36/22/64/181362264.db2.gz LWLFQQOIRNKMQQ-UHFFFAOYSA-N 0 0 307.346 2.041 50 0 biogenic DEAARN CCC(=O)[C@@H]1CCCCN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000195567741 201414766 /nfs/dbraw/zinc/41/47/66/201414766.db2.gz JTHLZPLOESDBRA-AWEZNQCLSA-N 0 0 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/nfs/dbraw/zinc/38/23/96/181382396.db2.gz UCNZILJYBPVVBF-UHFFFAOYSA-N 0 0 318.329 2.468 50 0 DEAARN Cc1nc(C)c(C(=O)OCN2C(=O)c3ccccc3C2=O)s1 ZINC000006788139 181389287 /nfs/dbraw/zinc/38/92/87/181389287.db2.gz PLPXVOIOSRIXFT-UHFFFAOYSA-N 0 0 316.338 2.170 50 0 DEAARN Cc1ccc(C)c(NC(=O)Cn2nc(C)n3cccc3c2=O)c1 ZINC000006799550 181390366 /nfs/dbraw/zinc/39/03/66/181390366.db2.gz VZOFYLHGUSABLM-UHFFFAOYSA-N 0 0 310.357 2.060 50 0 DEAARN CCCn1cc(CNC(=O)c2cccc(Cn3cccn3)c2)cn1 ZINC000091452292 193058417 /nfs/dbraw/zinc/05/84/17/193058417.db2.gz AOBAFOKYAKCCTK-UHFFFAOYSA-N 0 0 323.400 2.468 50 0 DEAARN CCn1ccc(CN2CCC3(CCC(=O)N(CC)C3)CC2)n1 ZINC000091326453 193040978 /nfs/dbraw/zinc/04/09/78/193040978.db2.gz BAPUJLBFRAMGPO-UHFFFAOYSA-N 0 0 304.438 2.128 50 0 DEAARN COCC[C@]1(CO)CCCN(C(=O)NCCc2ccccc2)C1 ZINC000091535458 193071028 /nfs/dbraw/zinc/07/10/28/193071028.db2.gz XTZMZUVXAFCCNM-GOSISDBHSA-N 0 0 320.433 2.050 50 0 DEAARN Cc1ccc2nc(C(=O)NCCCc3csc(N)n3)cn2c1 ZINC000091616973 193079159 /nfs/dbraw/zinc/07/91/59/193079159.db2.gz YBVACRANIMYKFP-UHFFFAOYSA-N 0 0 315.402 2.044 50 0 DEAARN CCN(C(=O)c1[nH]c2c(cc(C)cc2C)c1C)[C@H]1COC[C@@H]1O ZINC000091468593 193060789 /nfs/dbraw/zinc/06/07/89/193060789.db2.gz YIWVUNVMNDVMDP-GJZGRUSLSA-N 0 0 316.401 2.315 50 0 DEAARN CCCc1cc(C(=O)NCc2csc(N3CCCC3)n2)[nH]n1 ZINC000091474586 193060967 /nfs/dbraw/zinc/06/09/67/193060967.db2.gz SDWSGSZQDOLSMA-UHFFFAOYSA-N 0 0 319.434 2.349 50 0 DEAARN Cc1c(C(=O)N[C@@H]2C=CS(=O)(=O)C2)[nH]c2c1c(C)ccc2C ZINC000091476504 193062555 /nfs/dbraw/zinc/06/25/55/193062555.db2.gz BJYCXYHXALJDGT-GFCCVEGCSA-N 0 0 318.398 2.134 50 0 DEAARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc(CC(C)C)nn1C ZINC000091493048 193063754 /nfs/dbraw/zinc/06/37/54/193063754.db2.gz SGFPUKDPJPIFLO-UHFFFAOYSA-N 0 0 317.437 2.273 50 0 DEAARN CCC[C@@]1(CO)CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000091643501 193083581 /nfs/dbraw/zinc/08/35/81/193083581.db2.gz YSWILIGFECSLRB-CYBMUJFWSA-N 0 0 319.327 2.443 50 0 DEAARN CCCc1cncnc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091665408 193088111 /nfs/dbraw/zinc/08/81/11/193088111.db2.gz NWVDWDIYGKSGFT-KDOFPFPSSA-N 0 0 319.449 2.433 50 0 DEAARN CCCN(Cc1nccn1C)C(=O)c1cn2ccsc2n1 ZINC000091695103 193093225 /nfs/dbraw/zinc/09/32/25/193093225.db2.gz GORHKFCWSTYRTG-UHFFFAOYSA-N 0 0 303.391 2.182 50 0 DEAARN C[C@@]1(c2ccccc2)CCC(=O)N(CC[NH+]2CCC(O)CC2)C1 ZINC000091636498 193082078 /nfs/dbraw/zinc/08/20/78/193082078.db2.gz HMFXTYFMXBBBTI-LJQANCHMSA-N 0 0 316.445 2.023 50 0 DEAARN O=C(c1ncc[nH]1)N1CCC(c2nccn2CC2CCC2)CC1 ZINC000091757040 193102782 /nfs/dbraw/zinc/10/27/82/193102782.db2.gz UXDAVFWCUAUBMN-UHFFFAOYSA-N 0 0 313.405 2.426 50 0 DEAARN CC(C)c1cc(C(=O)N2Cc3ccccc3C2)nc2ncnn21 ZINC000091974269 193135142 /nfs/dbraw/zinc/13/51/42/193135142.db2.gz AEUZJCOAILDNSI-UHFFFAOYSA-N 0 0 307.357 2.404 50 0 DEAARN CCCn1cc(C(=O)N(C)CCCc2nccn2C)c(C)n1 ZINC000091997431 193138755 /nfs/dbraw/zinc/13/87/55/193138755.db2.gz VVIAZRJDRKQUOB-UHFFFAOYSA-N 0 0 303.410 2.040 50 0 DEAARN CCNc1ncc(C(=O)NCc2ccc(OC)c(F)c2F)cn1 ZINC000092022298 193143972 /nfs/dbraw/zinc/14/39/72/193143972.db2.gz QGNIGMUNDLQNOD-UHFFFAOYSA-N 0 0 322.315 2.125 50 0 DEAARN CCCN1CCC[C@@]2(CCN(C(=O)c3ccns3)C2)C1=O ZINC000092066628 193152709 /nfs/dbraw/zinc/15/27/09/193152709.db2.gz FGGBZWBYHBTMIY-HNNXBMFYSA-N 0 0 307.419 2.008 50 0 DEAARN CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)c1ccc(O)c(F)c1 ZINC000630030211 367441783 /nfs/dbraw/zinc/44/17/83/367441783.db2.gz OGRFXCLRJLLOEO-TZMCWYRMSA-N 0 0 319.336 2.008 50 0 DEAARN C[C@@H]1CN(C(=O)COc2ccccc2)CC[C@@]1(O)C1CCC1 ZINC000092107805 193160363 /nfs/dbraw/zinc/16/03/63/193160363.db2.gz BYDYQKHDVXMMPO-KDOFPFPSSA-N 0 0 303.402 2.465 50 0 DEAARN Cc1cc(C)n2c(nnc2C(=O)N[C@H]2CCc3ccccc3C2)n1 ZINC000219472434 201558760 /nfs/dbraw/zinc/55/87/60/201558760.db2.gz RRDQMSJZOSLYOM-HNNXBMFYSA-N 0 0 321.384 2.028 50 0 DEAARN COC(=O)N[C@@H](C)C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000219681716 201561455 /nfs/dbraw/zinc/56/14/55/201561455.db2.gz UVOUILAXBCJSSY-LBPRGKRZSA-N 0 0 322.380 2.498 50 0 DEAARN O=C(NN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1 ZINC000102538125 284013889 /nfs/dbraw/zinc/01/38/89/284013889.db2.gz HAQVDBINSBSGFB-VXGBXAGGSA-N 0 0 306.749 2.160 50 0 DEAARN COc1cccc2c1ccn2CC(=O)N[C@@H](CO)c1ccccc1 ZINC000252482717 202841523 /nfs/dbraw/zinc/84/15/23/202841523.db2.gz DMJOPOQQHSCEJS-INIZCTEOSA-N 0 0 324.380 2.500 50 0 DEAARN CCOc1ccc(S(=O)(=O)n2cncn2)c2ccccc12 ZINC000252498549 202853243 /nfs/dbraw/zinc/85/32/43/202853243.db2.gz RELVVUXODVJUFN-UHFFFAOYSA-N 0 0 303.343 2.067 50 0 DEAARN Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(Cl)cc1F ZINC000253417040 202875836 /nfs/dbraw/zinc/87/58/36/202875836.db2.gz DNZRPRFBECPGOL-UHFFFAOYSA-N 0 0 312.728 2.301 50 0 DEAARN O=C(CCCN1CCCC1=O)N(Cc1nccs1)C1CC1 ZINC000252510055 202860331 /nfs/dbraw/zinc/86/03/31/202860331.db2.gz ZAUSTMPKIIBBHQ-UHFFFAOYSA-N 0 0 307.419 2.037 50 0 DEAARN COc1cccc(C)c1NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000253419646 202880401 /nfs/dbraw/zinc/88/04/01/202880401.db2.gz AKIUMSZPNZCGRV-SUMWQHHRSA-N 0 0 320.389 2.415 50 0 DEAARN O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H]1c1ncc[nH]1 ZINC000253423071 202882821 /nfs/dbraw/zinc/88/28/21/202882821.db2.gz VASJCLHKGGTNHP-ZDUSSCGKSA-N 0 0 309.329 2.437 50 0 DEAARN O=C(c1nccc2ccccc21)N1CCC(F)(F)[C@H](CO)C1 ZINC000257177717 202927039 /nfs/dbraw/zinc/92/70/39/202927039.db2.gz BFUPXQBONJGQDH-LBPRGKRZSA-N 0 0 306.312 2.325 50 0 DEAARN c1coc([C@H]2CCCN2Cc2cnc(N3CCOCC3)nc2)c1 ZINC000093335366 193233477 /nfs/dbraw/zinc/23/34/77/193233477.db2.gz JUKUBVODNBPTCS-OAHLLOKOSA-N 0 0 314.389 2.243 50 0 DEAARN CCCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C ZINC000007616260 181480386 /nfs/dbraw/zinc/48/03/86/181480386.db2.gz UNMAIBJUOYOWJH-CYBMUJFWSA-N 0 0 313.419 2.241 50 0 DEAARN CC(C)(C)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000093531244 193265069 /nfs/dbraw/zinc/26/50/69/193265069.db2.gz VXOFIEUAMDQJNU-NSHDSACASA-N 0 0 316.492 2.169 50 0 DEAARN O=c1[nH]c(=O)n(CCOc2ccc(F)cc2Cl)cc1Cl ZINC000093904299 193326625 /nfs/dbraw/zinc/32/66/25/193326625.db2.gz ALXQZCRSFYHFNL-UHFFFAOYSA-N 0 0 319.119 2.062 50 0 DEAARN O=c1c2ccccc2sn1Cc1cc(=O)n2ccsc2n1 ZINC000095368269 193433781 /nfs/dbraw/zinc/43/37/81/193433781.db2.gz HWQPDUDANZJBGQ-UHFFFAOYSA-N 0 0 315.379 2.181 50 0 DEAARN Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000095382451 193439800 /nfs/dbraw/zinc/43/98/00/193439800.db2.gz MCSMXJJODWGZTK-CYBMUJFWSA-N 0 0 300.362 2.421 50 0 DEAARN COC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1scnc1C ZINC000095962517 193461189 /nfs/dbraw/zinc/46/11/89/193461189.db2.gz KAYURLVZGGXNPP-LBPRGKRZSA-N 0 0 321.402 2.375 50 0 DEAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)N(C)C ZINC000095975119 193470414 /nfs/dbraw/zinc/47/04/14/193470414.db2.gz DVFZKYVDQXNPSD-JTQLQIEISA-N 0 0 305.469 2.374 50 0 DEAARN CN1CCc2c1cccc2NC(=O)N1CCOC[C@H]1C1CC1 ZINC000095976539 193471408 /nfs/dbraw/zinc/47/14/08/193471408.db2.gz PHJCKBUIPPJDSD-INIZCTEOSA-N 0 0 301.390 2.322 50 0 DEAARN CC(C)c1cc(C(=O)NC[C@@H]2CCCO2)nc(N2CCCC2)n1 ZINC000096192002 193570242 /nfs/dbraw/zinc/57/02/42/193570242.db2.gz NQZCEPYLDPKLGD-ZDUSSCGKSA-N 0 0 318.421 2.109 50 0 DEAARN Cn1ncc2cc(-c3ccc([C@H]4NC(=O)NC4=O)cc3)ccc21 ZINC000096162112 193558289 /nfs/dbraw/zinc/55/82/89/193558289.db2.gz KEYZRFOIMNOOGU-OAHLLOKOSA-N 0 0 306.325 2.121 50 0 DEAARN COC(=O)/C(=C/c1ccc(F)c(Br)c1)NC(C)=O ZINC000096179470 193560126 /nfs/dbraw/zinc/56/01/26/193560126.db2.gz CYEQQMZMNKUXNL-WDZFZDKYSA-N 0 0 316.126 2.238 50 0 DEAARN CNC(=O)c1ccc(CN(C)C(=O)Cc2ccccc2F)cc1 ZINC000007847245 181502383 /nfs/dbraw/zinc/50/23/83/181502383.db2.gz QFVQJPYLYYEVPF-UHFFFAOYSA-N 0 0 314.360 2.386 50 0 DEAARN C[C@@H](c1ccccc1F)N(C(=O)CSCC(N)=O)C1CC1 ZINC000096411217 193624474 /nfs/dbraw/zinc/62/44/74/193624474.db2.gz BIVGLPMFCCHQFA-JTQLQIEISA-N 0 0 310.394 2.096 50 0 DEAARN O=C(Cn1cccn1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000096412552 193625291 /nfs/dbraw/zinc/62/52/91/193625291.db2.gz LFSOFFIJAIWKKB-CVEARBPZSA-N 0 0 315.373 2.204 50 0 DEAARN CCOCc1ccc(NC(=O)c2c(C)c(C)nn(C)c2=O)cc1 ZINC000096443245 193647912 /nfs/dbraw/zinc/64/79/12/193647912.db2.gz DTDGWNHEZDLKSV-UHFFFAOYSA-N 0 0 315.373 2.186 50 0 DEAARN O=C(NC[C@@]1(O)CCSC1)C1(c2ccc(Cl)cc2)CC1 ZINC000096446904 193650510 /nfs/dbraw/zinc/65/05/10/193650510.db2.gz QLDSSQLTQJYYFF-AWEZNQCLSA-N 0 0 311.834 2.356 50 0 DEAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)c(C)c1 ZINC000096420331 193631881 /nfs/dbraw/zinc/63/18/81/193631881.db2.gz VLGUJDBFYHPNTN-LSDHHAIUSA-N 0 0 318.417 2.218 50 0 DEAARN COCCN(CC(F)(F)F)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000096425081 193634398 /nfs/dbraw/zinc/63/43/98/193634398.db2.gz MGNIWMRWUQZODV-LLVKDONJSA-N 0 0 321.270 2.167 50 0 DEAARN Cc1ccc(N2CCC[C@@H](NC(=O)C3CCOCC3)C2=O)cc1 ZINC000096425893 193635554 /nfs/dbraw/zinc/63/55/54/193635554.db2.gz KQDGVIVDPDOZGS-MRXNPFEDSA-N 0 0 316.401 2.033 50 0 DEAARN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1csnn1 ZINC000096456415 193656451 /nfs/dbraw/zinc/65/64/51/193656451.db2.gz HCKNTKVTNMMHDE-SNVBAGLBSA-N 0 0 308.794 2.200 50 0 DEAARN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000008216251 181536133 /nfs/dbraw/zinc/53/61/33/181536133.db2.gz QYHDGRTWZFIIIR-HNNXBMFYSA-N 0 0 324.380 2.365 50 0 DEAARN CCCCN1C[C@H](C(=O)Nc2cccc(NC(C)=O)c2)CC1=O ZINC000008270275 181542232 /nfs/dbraw/zinc/54/22/32/181542232.db2.gz OHWLHLCOOGSDTE-CYBMUJFWSA-N 0 0 317.389 2.232 50 0 DEAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000008193442 181534662 /nfs/dbraw/zinc/53/46/62/181534662.db2.gz NACUPGFKGSPSKT-BXUZGUMPSA-N 0 0 322.430 2.428 50 0 DEAARN O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1F ZINC000008587389 181566839 /nfs/dbraw/zinc/56/68/39/181566839.db2.gz WEGALZIRKQONEC-UHFFFAOYSA-N 0 0 319.361 2.129 50 0 DEAARN C[C@@H](C(=O)NC1CCCC1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000008747847 181582028 /nfs/dbraw/zinc/58/20/28/181582028.db2.gz DOYRZVWALYINNM-LBPRGKRZSA-N 0 0 321.396 2.143 50 0 DEAARN C[C@@H](NC(=O)c1c(O)c2c([nH]c1=O)CCCC2)c1ccccc1 ZINC000008817751 181586877 /nfs/dbraw/zinc/58/68/77/181586877.db2.gz NDTMLIICLTYYID-LLVKDONJSA-N 0 0 312.369 2.450 50 0 biogenic DEAARN CCCCn1nnc(NC(=O)COc2ccc(C)cc2C)n1 ZINC000009226412 181608482 /nfs/dbraw/zinc/60/84/82/181608482.db2.gz GLMSOJCKPDLCFX-UHFFFAOYSA-N 0 0 303.366 2.108 50 0 DEAARN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCOC1 ZINC000096496094 193671209 /nfs/dbraw/zinc/67/12/09/193671209.db2.gz RRUDBVJBGNYWNW-MNOVXSKESA-N 0 0 312.772 2.211 50 0 DEAARN O=C(Nc1nncs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000009340743 181616207 /nfs/dbraw/zinc/61/62/07/181616207.db2.gz RLHRCVUZMDTUBX-UHFFFAOYSA-N 0 0 316.386 2.029 50 0 DEAARN COc1ccc(C)cc1N1C[C@H](C(=O)NC(C)(C)C)CC1=O ZINC000009341811 181616348 /nfs/dbraw/zinc/61/63/48/181616348.db2.gz TTXUWWNOGPNUTP-GFCCVEGCSA-N 0 0 304.390 2.271 50 0 DEAARN CCN(CC)C(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009040110 181598165 /nfs/dbraw/zinc/59/81/65/181598165.db2.gz XJTPWJGKQXHWOJ-LBPRGKRZSA-N 0 0 307.369 2.230 50 0 DEAARN CCNC(=O)c1cccc(NC(=O)c2cccnc2OCC)c1 ZINC000009050326 181598850 /nfs/dbraw/zinc/59/88/50/181598850.db2.gz OHMVFUIBFINIDV-UHFFFAOYSA-N 0 0 313.357 2.482 50 0 DEAARN Cc1cccc(OCC(=O)Nc2sccc2C(N)=O)c1C ZINC000009642121 181632760 /nfs/dbraw/zinc/63/27/60/181632760.db2.gz SAIDEDOTOQHCOC-UHFFFAOYSA-N 0 0 304.371 2.481 50 0 DEAARN CC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 ZINC000009830069 181643177 /nfs/dbraw/zinc/64/31/77/181643177.db2.gz ZQMRJUDTGAVVNV-UHFFFAOYSA-N 0 0 321.336 2.458 50 0 DEAARN COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(C)C[C@H](C)O ZINC000096503316 193674326 /nfs/dbraw/zinc/67/43/26/193674326.db2.gz OAALXGWPEYQWPY-JSGCOSHPSA-N 0 0 306.406 2.137 50 0 DEAARN O=c1n(Cc2nc3ccccc3s2)nnn1-c1cccs1 ZINC000010812533 181679331 /nfs/dbraw/zinc/67/93/31/181679331.db2.gz QGVWFQQGVMAYBY-UHFFFAOYSA-N 0 0 315.383 2.149 50 0 DEAARN CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cnccn1 ZINC000011477897 181691470 /nfs/dbraw/zinc/69/14/70/181691470.db2.gz FMMWFCRKRMCCNT-JTQLQIEISA-N 0 0 317.370 2.383 50 0 DEAARN O=C(Cc1ccccn1)N[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000011821037 181708990 /nfs/dbraw/zinc/70/89/90/181708990.db2.gz LSDMRORKAIJSEF-HNNXBMFYSA-N 0 0 315.417 2.064 50 0 DEAARN Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2N)c(C)c1 ZINC000011990838 181722142 /nfs/dbraw/zinc/72/21/42/181722142.db2.gz AFMFHHZQTVFUCM-UHFFFAOYSA-N 0 0 319.434 2.463 50 0 DEAARN O=C1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012002150 181723141 /nfs/dbraw/zinc/72/31/41/181723141.db2.gz UZINUPLPEQUFDF-UHFFFAOYSA-N 0 0 322.430 2.378 50 0 DEAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)NCc1ccccn1 ZINC000012772658 181795986 /nfs/dbraw/zinc/79/59/86/181795986.db2.gz JJNQHFDXMLSCOV-UHFFFAOYSA-N 0 0 324.384 2.430 50 0 DEAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccn1C ZINC000012937327 181813525 /nfs/dbraw/zinc/81/35/25/181813525.db2.gz GIRWNIMEHZJEPD-UHFFFAOYSA-N 0 0 321.327 2.404 50 0 DEAARN Cn1nccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000265517741 204670029 /nfs/dbraw/zinc/67/00/29/204670029.db2.gz SUCBDODKZHZTGI-HZPDHXFCSA-N 0 0 315.373 2.355 50 0 DEAARN CC(C)(C(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccc(F)cc1 ZINC000282677764 217169209 /nfs/dbraw/zinc/16/92/09/217169209.db2.gz JZFNRMBZUUEQBZ-AWEZNQCLSA-N 0 0 318.392 2.421 50 0 DEAARN O=C(NCCc1nnc2ccccn21)c1ccc(Cl)cc1 ZINC000014247151 181942302 /nfs/dbraw/zinc/94/23/02/181942302.db2.gz OEZFVRUVUMBLPN-UHFFFAOYSA-N 0 0 300.749 2.355 50 0 DEAARN O=C(COc1ccc2c(c1)OCO2)N1CCc2sccc2C1 ZINC000014216505 181937685 /nfs/dbraw/zinc/93/76/85/181937685.db2.gz GGVRTHNXMHKOAS-UHFFFAOYSA-N 0 0 317.366 2.441 50 0 DEAARN COCCCNC(=O)c1ccc(-n2cnc3cccnc32)cc1 ZINC000015681922 182012430 /nfs/dbraw/zinc/01/24/30/182012430.db2.gz GQWKVXHNKVVTIS-UHFFFAOYSA-N 0 0 310.357 2.187 50 0 DEAARN CCCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000015731318 182014462 /nfs/dbraw/zinc/01/44/62/182014462.db2.gz QYKLUXYVMQOKPB-UHFFFAOYSA-N 0 0 319.434 2.459 50 0 DEAARN O=C(NCCO)c1cccnc1SCc1ccc(F)cc1 ZINC000097365519 193711073 /nfs/dbraw/zinc/71/10/73/193711073.db2.gz YEZNUFIMYXHOGG-UHFFFAOYSA-N 0 0 306.362 2.235 50 0 DEAARN COc1ccccc1OCC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000015831450 182019849 /nfs/dbraw/zinc/01/98/49/182019849.db2.gz XYGCDEZTAVFTIQ-ZDUSSCGKSA-N 0 0 318.373 2.086 50 0 DEAARN COc1ccccc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000015880115 182023627 /nfs/dbraw/zinc/02/36/27/182023627.db2.gz DEJMRRDRLOPNLI-UHFFFAOYSA-N 0 0 303.387 2.392 50 0 DEAARN CC[C@](C)(O)CNC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000097375449 193713024 /nfs/dbraw/zinc/71/30/24/193713024.db2.gz KBTXXDFABKOIPI-HNNXBMFYSA-N 0 0 312.797 2.235 50 0 DEAARN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000016579798 182050139 /nfs/dbraw/zinc/05/01/39/182050139.db2.gz UFFKXRBQXHTJEU-UHFFFAOYSA-N 0 0 310.202 2.155 50 0 DEAARN COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1OC ZINC000016843356 182061701 /nfs/dbraw/zinc/06/17/01/182061701.db2.gz LZOSQMOHFXXLMB-OAHLLOKOSA-N 0 0 320.370 2.106 50 0 DEAARN COc1coc(C(=O)N[C@@H](C)CCc2ccccc2)cc1=O ZINC000016850813 182061952 /nfs/dbraw/zinc/06/19/52/182061952.db2.gz SSOHKKXOCNGSFB-LBPRGKRZSA-N 0 0 301.342 2.400 50 0 DEAARN CCCn1c(CN2CCOCC2)nc2cc(NC(C)=O)ccc21 ZINC000016647454 182055636 /nfs/dbraw/zinc/05/56/36/182055636.db2.gz QUXGZANAEVHTMQ-UHFFFAOYSA-N 0 0 316.405 2.237 50 0 DEAARN CCn1cc(C(=O)Nc2ncccn2)c(=O)c2cc(OC)ccc21 ZINC000016650929 182056168 /nfs/dbraw/zinc/05/61/68/182056168.db2.gz NPLMTOANNHGTBE-UHFFFAOYSA-N 0 0 324.340 2.072 50 0 DEAARN Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2C(C)C)cc1 ZINC000016651947 182056696 /nfs/dbraw/zinc/05/66/96/182056696.db2.gz NQPWCMGPLFXGKO-UHFFFAOYSA-N 0 0 314.389 2.172 50 0 DEAARN Cc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1 ZINC000016738931 182059535 /nfs/dbraw/zinc/05/95/35/182059535.db2.gz HSFZBEJTMFMBJE-UHFFFAOYSA-N 0 0 320.400 2.297 50 0 DEAARN C[C@H](Sc1ncc2ccccn21)C(=O)NC(=O)NC(C)(C)C ZINC000017046871 182070592 /nfs/dbraw/zinc/07/05/92/182070592.db2.gz RWFVOHFDHVHZQQ-JTQLQIEISA-N 0 0 320.418 2.439 50 0 DEAARN CN1C(=O)Cc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 ZINC000016916498 182064232 /nfs/dbraw/zinc/06/42/32/182064232.db2.gz FUIUSHIAJIWTGD-UHFFFAOYSA-N 0 0 310.309 2.187 50 0 DEAARN O=C(Nc1cccnc1)c1cnn2cc(Br)cnc12 ZINC000004820356 284375963 /nfs/dbraw/zinc/37/59/63/284375963.db2.gz VGPGYMJTYCYODW-UHFFFAOYSA-N 0 0 318.134 2.139 50 0 DEAARN O=C(COc1ccccc1F)Nc1ccc2c(c1)CC(=O)N2 ZINC000017177979 182078470 /nfs/dbraw/zinc/07/84/70/182078470.db2.gz KLJRVNFBNVPSCK-UHFFFAOYSA-N 0 0 300.289 2.338 50 0 DEAARN COc1ccccc1N1CCN(C(=O)NC2CCCC2)CC1 ZINC000017116705 182075831 /nfs/dbraw/zinc/07/58/31/182075831.db2.gz UEDITPXODUXTST-UHFFFAOYSA-N 0 0 303.406 2.469 50 0 DEAARN CS(=O)(=O)Cc1cccc(C(=O)NCCc2cccs2)c1 ZINC000017909721 182087527 /nfs/dbraw/zinc/08/75/27/182087527.db2.gz UPUFXMHWHLMLCD-UHFFFAOYSA-N 0 0 323.439 2.265 50 0 DEAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC(C)C ZINC000017300081 182081453 /nfs/dbraw/zinc/08/14/53/182081453.db2.gz BSHWMLLHGLAVIQ-CQSZACIVSA-N 0 0 308.447 2.371 50 0 DEAARN O=C(Cc1csc(-c2cccs2)n1)O[C@@H]1CCOC1=O ZINC000017934941 182088074 /nfs/dbraw/zinc/08/80/74/182088074.db2.gz STRIKRRDVCMSFW-SECBINFHSA-N 0 0 309.368 2.273 50 0 DEAARN Cc1ccc(C)c(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1 ZINC000017992828 182089108 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AYZPDKDSKMTTNJ-UHFFFAOYSA-N 0 0 300.399 2.078 50 0 DEAARN O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1 ZINC000029740439 134674770 /nfs/dbraw/zinc/67/47/70/134674770.db2.gz PEXJGVDCZVWDOM-QGZVFWFLSA-N 0 0 322.412 2.278 50 0 DEAARN O=S(=O)(c1ccc2c(c1)CCO2)N1CCOc2ccccc21 ZINC000040074747 134709670 /nfs/dbraw/zinc/70/96/70/134709670.db2.gz PMTWLLHOAZYTER-UHFFFAOYSA-N 0 0 317.366 2.209 50 0 DEAARN CS(=O)(=O)c1ccc(N2CCc3ccccc3C2)cc1N ZINC000042783752 134731335 /nfs/dbraw/zinc/73/13/35/134731335.db2.gz XXNNNQPJHAMRSM-UHFFFAOYSA-N 0 0 302.399 2.235 50 0 DEAARN CC[C@H](C)NC(=O)C[C@@H]1Sc2ncccc2N(CC)C1=O ZINC000065172003 134818240 /nfs/dbraw/zinc/81/82/40/134818240.db2.gz HXKXNWRIXKFDOM-JQWIXIFHSA-N 0 0 307.419 2.214 50 0 DEAARN CCOC(=O)C1C(C)=Nc2nc(C)nn2[C@H]1c1cccc(O)c1 ZINC000170625797 285670671 /nfs/dbraw/zinc/67/06/71/285670671.db2.gz BKVAUIJYTNZNNV-AWEZNQCLSA-N 0 0 314.345 2.144 50 0 DEAARN O=C([C@@H]1CCCCn2nnnc21)N1CCC[C@@H]1c1ccccc1 ZINC000097272406 304329064 /nfs/dbraw/zinc/32/90/64/304329064.db2.gz VBTJJNBXVVZWNF-HUUCEWRRSA-N 0 0 311.389 2.304 50 0 DEAARN CN(C)c1cccc(CCC(=O)N2CCC[C@@H]2C(C)(C)O)c1 ZINC000189329820 145025503 /nfs/dbraw/zinc/02/55/03/145025503.db2.gz PHWZYZQCNFNEHF-MRXNPFEDSA-N 0 0 304.434 2.447 50 0 DEAARN COc1ccc(CN2C(=O)NC3(CCC(C)CC3)C2=O)nc1 ZINC000342642238 145651176 /nfs/dbraw/zinc/65/11/76/145651176.db2.gz BMXWFMBKBZWIDE-UHFFFAOYSA-N 0 0 303.362 2.091 50 0 DEAARN CCOC1CC2(C1)CCN(C(=O)[C@H](C(C)C)N1CCCC1=O)C2 ZINC000376420135 286017458 /nfs/dbraw/zinc/01/74/58/286017458.db2.gz IMYROHYWWGDDER-HQVVEAJESA-N 0 0 322.449 2.051 50 0 DEAARN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CCn1cncn1 ZINC000096412750 286018810 /nfs/dbraw/zinc/01/88/10/286018810.db2.gz VMNUXBRLBOFVSX-NHYWBVRUSA-N 0 0 322.796 2.214 50 0 DEAARN Cc1cc(C(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)nn1C ZINC000408234757 148579665 /nfs/dbraw/zinc/57/96/65/148579665.db2.gz HDTBHYKJYUZMAQ-LBPRGKRZSA-N 0 0 315.377 2.009 50 0 DEAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000002961760 401720084 /nfs/dbraw/zinc/72/00/84/401720084.db2.gz KVWCQIXDRCCFSI-UHFFFAOYSA-N 0 0 321.354 2.267 50 0 DEAARN COc1ccc(S(=O)(=O)Oc2cc(C=O)ccc2OC)cc1 ZINC000002960332 401720364 /nfs/dbraw/zinc/72/03/64/401720364.db2.gz UKNCNBRZUNFUBL-UHFFFAOYSA-N 0 0 322.338 2.284 50 0 DEAARN COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000002989120 401720912 /nfs/dbraw/zinc/72/09/12/401720912.db2.gz LINAGCMDDVGFQO-UHFFFAOYSA-N 0 0 310.302 2.415 50 0 biogenic DEAARN CCCCCNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000003152550 401721932 /nfs/dbraw/zinc/72/19/32/401721932.db2.gz DYGFULTUDXZXBQ-UHFFFAOYSA-N 0 0 302.374 2.369 50 0 DEAARN O=C(COC(=O)COc1ccc(Cl)cc1)NCc1ccco1 ZINC000003219245 401722419 /nfs/dbraw/zinc/72/24/19/401722419.db2.gz KMOYHFAHRFLAHN-UHFFFAOYSA-N 0 0 323.732 2.171 50 0 DEAARN C[C@H]1C[C@H]1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12 ZINC000008100210 401748421 /nfs/dbraw/zinc/74/84/21/401748421.db2.gz MXJZHRIYRLOXCQ-SMDDNHRTSA-N 0 0 300.358 2.026 50 0 DEAARN CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(Cl)cc1 ZINC000003585329 401724678 /nfs/dbraw/zinc/72/46/78/401724678.db2.gz GAXWVQFAUGYNDT-UHFFFAOYSA-N 0 0 311.813 2.396 50 0 DEAARN O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1CCO ZINC000004186909 401725574 /nfs/dbraw/zinc/72/55/74/401725574.db2.gz KVZCANWJGYDYPP-UHFFFAOYSA-N 0 0 324.380 2.418 50 0 DEAARN Cc1cc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)no1 ZINC000008162521 401749635 /nfs/dbraw/zinc/74/96/35/401749635.db2.gz BANUEVLBMHUJKZ-UHFFFAOYSA-N 0 0 311.244 2.355 50 0 DEAARN O=C(CN1C(=O)COc2ccccc21)NCCC1=CCCCC1 ZINC000004436739 401726102 /nfs/dbraw/zinc/72/61/02/401726102.db2.gz QIAJFHZWTPSNDE-UHFFFAOYSA-N 0 0 314.385 2.419 50 0 DEAARN CS(=O)(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000004305578 401726164 /nfs/dbraw/zinc/72/61/64/401726164.db2.gz MFFGPERTRZYETK-CQSZACIVSA-N 0 0 322.455 2.401 50 0 DEAARN CCCCN(C(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000004504908 401726699 /nfs/dbraw/zinc/72/66/99/401726699.db2.gz ROEWVDBNXMWPBX-NSHDSACASA-N 0 0 301.433 2.178 50 0 DEAARN O=C(Nc1ccc(F)cc1)C1CCN(c2cnccn2)CC1 ZINC000004965304 401728253 /nfs/dbraw/zinc/72/82/53/401728253.db2.gz FFJIAYXIGLKGND-UHFFFAOYSA-N 0 0 300.337 2.471 50 0 DEAARN O=C(NCC1CCCCC1)C1CCN(c2cnccn2)CC1 ZINC000004965326 401728302 /nfs/dbraw/zinc/72/83/02/401728302.db2.gz QIBXEOJZWDCLCV-UHFFFAOYSA-N 0 0 302.422 2.390 50 0 DEAARN O=C(COC(=O)c1ccccc1O)Nc1ccc(F)c(F)c1 ZINC000005078454 401728924 /nfs/dbraw/zinc/72/89/24/401728924.db2.gz VEDCBXKRVJWSDU-UHFFFAOYSA-N 0 0 307.252 2.466 50 0 DEAARN Cc1nc2c3ccccc3oc2c(N2CCC(C(N)=O)CC2)n1 ZINC000005187217 401728982 /nfs/dbraw/zinc/72/89/82/401728982.db2.gz KHCZXJRMHFHLPB-UHFFFAOYSA-N 0 0 310.357 2.386 50 0 DEAARN CCO[C@H]1C[C@@H](NC(=O)NCc2cccc(CO)c2)C12CCC2 ZINC000074108776 401730255 /nfs/dbraw/zinc/73/02/55/401730255.db2.gz KMIFXTYCCIHCTO-CVEARBPZSA-N 0 0 318.417 2.326 50 0 DEAARN CCc1nnc(SCC(=O)N2CCCc3ccccc32)[nH]1 ZINC000005686679 401730379 /nfs/dbraw/zinc/73/03/79/401730379.db2.gz HMQQVMAMHIBCFA-UHFFFAOYSA-N 0 0 302.403 2.439 50 0 DEAARN Cc1nn(C)c(C)c1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000008118013 401748835 /nfs/dbraw/zinc/74/88/35/401748835.db2.gz CEJSALUYDGWEHT-UHFFFAOYSA-N 0 0 312.373 2.416 50 0 DEAARN CCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C ZINC000006728545 401731966 /nfs/dbraw/zinc/73/19/66/401731966.db2.gz UHMKQIKQANKNSZ-UHFFFAOYSA-N 0 0 312.345 2.387 50 0 DEAARN Cn1ncc(Cl)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000006715090 401731996 /nfs/dbraw/zinc/73/19/96/401731996.db2.gz QPCWDPTYRVVTSO-UHFFFAOYSA-N 0 0 322.771 2.175 50 0 DEAARN Cn1ccnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000006649759 401732227 /nfs/dbraw/zinc/73/22/27/401732227.db2.gz VPVZOXTVXGDNTE-AWEZNQCLSA-N 0 0 317.414 2.112 50 0 DEAARN C[C@H](NC(=O)CSc1ncccn1)c1ccc2c(c1)OCO2 ZINC000006913866 401733787 /nfs/dbraw/zinc/73/37/87/401733787.db2.gz YLWFPTHBVLNNID-JTQLQIEISA-N 0 0 317.370 2.175 50 0 DEAARN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)N1CCCCCC1 ZINC000006937573 401734777 /nfs/dbraw/zinc/73/47/77/401734777.db2.gz GVBDIXCTHNGBEJ-UHFFFAOYSA-N 0 0 324.384 2.280 50 0 DEAARN CCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccsc2)n1 ZINC000007117553 401736913 /nfs/dbraw/zinc/73/69/13/401736913.db2.gz DTJJWDKZYPUYEV-QMMMGPOBSA-N 0 0 309.416 2.126 50 0 DEAARN CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(F)cc1N ZINC000007374348 401739147 /nfs/dbraw/zinc/73/91/47/401739147.db2.gz VTVSSSNIEZSFAT-UHFFFAOYSA-N 0 0 316.332 2.223 50 0 DEAARN Cc1nnc(SCCS(=O)(=O)Oc2ccccc2)s1 ZINC000007442453 401740141 /nfs/dbraw/zinc/74/01/41/401740141.db2.gz FLYPGNGZFXIHIX-UHFFFAOYSA-N 0 0 316.429 2.347 50 0 DEAARN CCCCC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1 ZINC000007420708 401740303 /nfs/dbraw/zinc/74/03/03/401740303.db2.gz UHHOCTWNBQZDAI-UHFFFAOYSA-N 0 0 303.366 2.010 50 0 DEAARN COC(=O)c1sc2[nH]c(CN3CCCCC3)nc(=O)c2c1C ZINC000007503447 401740900 /nfs/dbraw/zinc/74/09/00/401740900.db2.gz RRMONDDSHRWSGP-UHFFFAOYSA-N 0 0 321.402 2.066 50 0 DEAARN Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)C2CC2)c1 ZINC000007508920 401740952 /nfs/dbraw/zinc/74/09/52/401740952.db2.gz ZXBSDXIWVWPVRD-UHFFFAOYSA-N 0 0 320.352 2.438 50 0 DEAARN CC[C@@H](O)c1nc2ccccc2n1CC(=O)N1CCCCC1 ZINC000007548770 401741431 /nfs/dbraw/zinc/74/14/31/401741431.db2.gz ZQVJSFUINFHYSG-OAHLLOKOSA-N 0 0 301.390 2.492 50 0 DEAARN NC(=O)c1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000007541213 401741772 /nfs/dbraw/zinc/74/17/72/401741772.db2.gz CILUKBBXTXMKFK-INIZCTEOSA-N 0 0 310.353 2.184 50 0 DEAARN COc1ccc(F)cc1CN1C(=O)c2ccccc2S1(=O)=O ZINC000007605805 401742039 /nfs/dbraw/zinc/74/20/39/401742039.db2.gz RFNHVRBGLLOJNY-UHFFFAOYSA-N 0 0 321.329 2.179 50 0 DEAARN CNC(=O)c1ccsc1NC(=O)Cc1ccc(OC)cc1 ZINC000007614311 401742106 /nfs/dbraw/zinc/74/21/06/401742106.db2.gz NRTGGTQDEKSWSW-UHFFFAOYSA-N 0 0 304.371 2.298 50 0 DEAARN COc1cccc(CC(=O)NC[C@H](O)c2cccc(OC)c2)c1 ZINC000074559340 401742424 /nfs/dbraw/zinc/74/24/24/401742424.db2.gz YKJOABWNXROWPN-KRWDZBQOSA-N 0 0 315.369 2.096 50 0 DEAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C=C(C)C)c1C ZINC000007651753 401742689 /nfs/dbraw/zinc/74/26/89/401742689.db2.gz PXJROKCQIVKUND-NSHDSACASA-N 0 0 307.346 2.499 50 0 DEAARN COCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000007677996 401742755 /nfs/dbraw/zinc/74/27/55/401742755.db2.gz DTMQRCRCVCBDBX-UHFFFAOYSA-N 0 0 304.799 2.290 50 0 DEAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccn1 ZINC000007699908 401743317 /nfs/dbraw/zinc/74/33/17/401743317.db2.gz FTENYNJHRJVBCY-HNNXBMFYSA-N 0 0 314.410 2.490 50 0 DEAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(N)(=O)=O ZINC000007751302 401743866 /nfs/dbraw/zinc/74/38/66/401743866.db2.gz LHORKEIWKOELHS-GFCCVEGCSA-N 0 0 318.398 2.133 50 0 DEAARN CCS(=O)(=O)N(C)CCCNc1ncnc2cccc(C)c21 ZINC000075094110 401749491 /nfs/dbraw/zinc/74/94/91/401749491.db2.gz TVFKEZUEUQIWKK-UHFFFAOYSA-N 0 0 322.434 2.022 50 0 DEAARN CCc1nnc(SCC(=O)Nc2nc3c(s2)CCCC3)[nH]1 ZINC000008199309 401749492 /nfs/dbraw/zinc/74/94/92/401749492.db2.gz GBCSRJAPOVZVJO-UHFFFAOYSA-N 0 0 323.447 2.433 50 0 DEAARN CCN1CCN(C(=S)NCCSc2ccccc2)CC1 ZINC000007926032 401745768 /nfs/dbraw/zinc/74/57/68/401745768.db2.gz MIQKEFMSCBQIQL-UHFFFAOYSA-N 0 0 309.504 2.291 50 0 DEAARN CCOC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000037996 401687560 /nfs/dbraw/zinc/68/75/60/401687560.db2.gz VHASSJYQKYYQIY-VIFPVBQESA-N 0 0 306.387 2.146 50 0 DEAARN CCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000000144628 401688514 /nfs/dbraw/zinc/68/85/14/401688514.db2.gz ZNIUYXPVSAWIAR-VIFPVBQESA-N 0 0 306.387 2.461 50 0 DEAARN CN(Cc1nnsc1Cl)C[C@H]1CCCN1c1cccnn1 ZINC000071859986 401688617 /nfs/dbraw/zinc/68/86/17/401688617.db2.gz AYMHDXAMTCBIMX-SNVBAGLBSA-N 0 0 324.841 2.082 50 0 DEAARN O=C(OCn1ncc(Cl)c(Cl)c1=O)c1cccs1 ZINC000000163365 401688604 /nfs/dbraw/zinc/68/86/04/401688604.db2.gz MCWSFSKEYSGTBM-UHFFFAOYSA-N 0 0 305.142 2.426 50 0 DEAARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000000158203 401688776 /nfs/dbraw/zinc/68/87/76/401688776.db2.gz MVVRRYAGIMODTE-LLVKDONJSA-N 0 0 302.305 2.406 50 0 DEAARN COC(=O)[C@H]1NN=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000000174474 401689019 /nfs/dbraw/zinc/68/90/19/401689019.db2.gz MKTBYSGQVNKKDE-HOCLYGCPSA-N 0 0 308.337 2.154 50 0 DEAARN Cc1cnn(C[C@H]2CCCCN2C(=O)c2c(C)noc2C)c1 ZINC000071865733 401689069 /nfs/dbraw/zinc/68/90/69/401689069.db2.gz MWXQLQVESIHJPV-CQSZACIVSA-N 0 0 302.378 2.491 50 0 DEAARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc2ncccc2c1 ZINC000000190245 401689466 /nfs/dbraw/zinc/68/94/66/401689466.db2.gz DYCYIRLEIWHUJK-HNNXBMFYSA-N 0 0 321.340 2.288 50 0 DEAARN CCOc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000196285 401690031 /nfs/dbraw/zinc/69/00/31/401690031.db2.gz LCBXNZLBOXEDMH-UHFFFAOYSA-N 0 0 324.336 2.320 50 0 DEAARN CCc1ccc([C@]2(C)SC(NC(C)=O)=NN2C(C)=O)cc1 ZINC000000201300 401690164 /nfs/dbraw/zinc/69/01/64/401690164.db2.gz IRMRHURVQVRIBT-HNNXBMFYSA-N 0 0 305.403 2.424 50 0 DEAARN O=S(=O)(c1ccc2c(c1)Cc1ccccc1-2)N1CCOCC1 ZINC000000209989 401690817 /nfs/dbraw/zinc/69/08/17/401690817.db2.gz OXOKVBROWLQXSL-UHFFFAOYSA-N 0 0 315.394 2.279 50 0 DEAARN COc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1 ZINC000000223709 401691080 /nfs/dbraw/zinc/69/10/80/401691080.db2.gz IHHGXLZDPBSBHM-UHFFFAOYSA-N 0 0 319.382 2.498 50 0 DEAARN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2cccnc2)cc1 ZINC000000220544 401691172 /nfs/dbraw/zinc/69/11/72/401691172.db2.gz YSZKDTKXVMUXPE-KRWDZBQOSA-N 0 0 323.396 2.197 50 0 DEAARN Cc1nnc(CNC(=O)c2cc(Cl)cc3cccnc32)[nH]1 ZINC000071882343 401691693 /nfs/dbraw/zinc/69/16/93/401691693.db2.gz VPVDZHAAUKTHTO-UHFFFAOYSA-N 0 0 301.737 2.245 50 0 DEAARN CCc1sc(C(=O)N2CCN(C[C@H](O)CC)CC2)cc1C ZINC000071880957 401691705 /nfs/dbraw/zinc/69/17/05/401691705.db2.gz BCSAGAOKGFWVCT-CYBMUJFWSA-N 0 0 310.463 2.148 50 0 DEAARN O=C(Cc1ccc2c(c1)OCCCO2)c1c(O)cc(O)cc1O ZINC000000238479 401691833 /nfs/dbraw/zinc/69/18/33/401691833.db2.gz JRNMDVRPGUTXIV-UHFFFAOYSA-N 0 0 316.309 2.390 50 0 biogenic DEAARN COc1ccc(Br)cc1CN1CCC[C@H](O)C1 ZINC000000236487 401691970 /nfs/dbraw/zinc/69/19/70/401691970.db2.gz BTUSEAUTVVPIJJ-LBPRGKRZSA-N 0 0 300.196 2.414 50 0 DEAARN C[C@H](CNC(=O)Nc1ccn(C)n1)N1CCc2sccc2C1 ZINC000071883936 401692154 /nfs/dbraw/zinc/69/21/54/401692154.db2.gz KTOHJNPBUKYZIV-LLVKDONJSA-N 0 0 319.434 2.050 50 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KXRMCFVUTQQXEJ-UHFFFAOYSA-N 0 0 302.359 2.226 50 0 DEAARN Cn1nc(C2CC2)nc1CS(=O)(=O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000621995470 364625801 /nfs/dbraw/zinc/62/58/01/364625801.db2.gz BLJQNJYWANSAHN-RTXFEEFZSA-N 0 0 309.435 2.044 50 0 DEAARN Cn1nc(C2CC2)nc1CS(=O)(=O)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000621995468 364625942 /nfs/dbraw/zinc/62/59/42/364625942.db2.gz BLJQNJYWANSAHN-KGYLQXTDSA-N 0 0 309.435 2.044 50 0 DEAARN CCCCOc1ccc(-c2nnc(SCC(N)=O)n2C)cc1 ZINC000006698604 181372015 /nfs/dbraw/zinc/37/20/15/181372015.db2.gz WMHASWVEMPIHKO-UHFFFAOYSA-N 0 0 320.418 2.238 50 0 DEAARN CCOC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C(=O)OCC ZINC000006729260 181378387 /nfs/dbraw/zinc/37/83/87/181378387.db2.gz ALSRJSPKJDSPQQ-UHFFFAOYSA-N 0 0 317.345 2.238 50 0 DEAARN COc1ccc(C2=NO[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000006738554 181380734 /nfs/dbraw/zinc/38/07/34/181380734.db2.gz FOOQVERKCSFGOK-INIZCTEOSA-N 0 0 318.373 2.209 50 0 DEAARN Cc1cc(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)no1 ZINC000006760431 181384485 /nfs/dbraw/zinc/38/44/85/181384485.db2.gz VGBMAHZDCCNFLN-UHFFFAOYSA-N 0 0 307.693 2.183 50 0 DEAARN Cc1cc(C)n2nc(CNC(=O)c3ccc(Cl)cc3)nc2n1 ZINC000006808194 181392481 /nfs/dbraw/zinc/39/24/81/181392481.db2.gz OFFXXEWDPZMQMP-UHFFFAOYSA-N 0 0 315.764 2.325 50 0 DEAARN O=C(Cc1ccccc1F)NC[C@@H]1COc2ccccc2O1 ZINC000006837503 181398002 /nfs/dbraw/zinc/39/80/02/181398002.db2.gz FGOUVOUKBPMOPT-CYBMUJFWSA-N 0 0 301.317 2.324 50 0 DEAARN COc1ccc(-c2noc(CC(=O)Nc3ccccn3)n2)cc1 ZINC000006859374 181398743 /nfs/dbraw/zinc/39/87/43/181398743.db2.gz RGVRVYOAQZSHBM-UHFFFAOYSA-N 0 0 310.313 2.321 50 0 DEAARN COc1ccc(CNC(=O)[C@H](C)Sc2ncccn2)cc1 ZINC000006912257 181404896 /nfs/dbraw/zinc/40/48/96/181404896.db2.gz VXFHPKXZEOOOEV-NSHDSACASA-N 0 0 303.387 2.282 50 0 DEAARN CCCN1C(=O)CCc2cc(NC(=O)c3cnn(C)c3)ccc21 ZINC000091154369 193007440 /nfs/dbraw/zinc/00/74/40/193007440.db2.gz ZBIOGDLTZUVUQT-UHFFFAOYSA-N 0 0 312.373 2.362 50 0 DEAARN C[C@@H](NC(=O)NCCC1(C)OCCO1)c1cccc(F)c1F ZINC000097115841 296079034 /nfs/dbraw/zinc/07/90/34/296079034.db2.gz BKCKWPHGUHWXIF-SNVBAGLBSA-N 0 0 314.332 2.478 50 0 DEAARN COc1ccc(C(=O)CCC(=O)N2CC(C)(C)[C@](C)(O)C2)cc1 ZINC000091381017 193048918 /nfs/dbraw/zinc/04/89/18/193048918.db2.gz FNMDUSRGNZOVCF-GOSISDBHSA-N 0 0 319.401 2.278 50 0 DEAARN C[C@@]1(c2ccccc2)CCC(=O)N(CCN2CCCOC2=O)C1 ZINC000091461475 193059272 /nfs/dbraw/zinc/05/92/72/193059272.db2.gz WFUVXVCQHQVXKS-GOSISDBHSA-N 0 0 316.401 2.409 50 0 DEAARN CO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccc(C)cc1)CC2 ZINC000091411055 193051789 /nfs/dbraw/zinc/05/17/89/193051789.db2.gz PMOQRBIIBQJXJG-CABCVRRESA-N 0 0 304.390 2.389 50 0 DEAARN Cc1ccc(-c2cc(C(=O)N(C)CCc3cnn(C)c3)[nH]n2)cc1 ZINC000091410504 193052482 /nfs/dbraw/zinc/05/24/82/193052482.db2.gz XQFXJCMNCFRPBE-UHFFFAOYSA-N 0 0 323.400 2.433 50 0 DEAARN O=C(c1ccc2nccn2c1)N(CCO)Cc1ccccc1F ZINC000091426822 193053655 /nfs/dbraw/zinc/05/36/55/193053655.db2.gz KBXPWZDDXVLSEX-UHFFFAOYSA-N 0 0 313.332 2.108 50 0 DEAARN CCCN(Cc1nccn1C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000091434861 193055158 /nfs/dbraw/zinc/05/51/58/193055158.db2.gz IYNVDMTXXKVGQE-UHFFFAOYSA-N 0 0 324.384 2.314 50 0 DEAARN Cc1ccncc1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O ZINC000091441293 193056122 /nfs/dbraw/zinc/05/61/22/193056122.db2.gz XHMFTDMOCDKNGY-OAHLLOKOSA-N 0 0 315.417 2.397 50 0 DEAARN O=C(NCc1ccon1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000091619803 193079837 /nfs/dbraw/zinc/07/98/37/193079837.db2.gz HUWZNHLTMDFMEA-ZDUSSCGKSA-N 0 0 319.405 2.252 50 0 DEAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)N1CCCCC1)C2 ZINC000091550564 193072047 /nfs/dbraw/zinc/07/20/47/193072047.db2.gz RKVHUMSGSKOGMW-CYBMUJFWSA-N 0 0 304.390 2.442 50 0 DEAARN CN(CCCc1cnn(C)c1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000091649889 193084742 /nfs/dbraw/zinc/08/47/42/193084742.db2.gz AOOONXSZIMJMET-INIZCTEOSA-N 0 0 313.401 2.062 50 0 DEAARN COC[C@]1(O)CCN(C(=O)NCCc2ccccc2)CC1(C)C ZINC000091621252 193080869 /nfs/dbraw/zinc/08/08/69/193080869.db2.gz ZCLWSJARWMULRU-GOSISDBHSA-N 0 0 320.433 2.048 50 0 DEAARN COCCn1ccnc1[C@@H]1CCCN(c2ncccc2F)C1 ZINC000091625041 193081028 /nfs/dbraw/zinc/08/10/28/193081028.db2.gz PIKKVVCZGDQGJO-CYBMUJFWSA-N 0 0 304.369 2.448 50 0 DEAARN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(F)c2)CC[C@]1(C)O ZINC000091779427 193106111 /nfs/dbraw/zinc/10/61/11/193106111.db2.gz OVABBPWQVBQFIM-DIFFPNOSSA-N 0 0 317.364 2.449 50 0 DEAARN CCn1ccnc1[C@H]1CCCN(C(=O)c2ccnc(OC)c2)C1 ZINC000091849273 193118137 /nfs/dbraw/zinc/11/81/37/193118137.db2.gz JXTVCXUEWQNHLW-AWEZNQCLSA-N 0 0 314.389 2.326 50 0 DEAARN COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)c1 ZINC000091858205 193118797 /nfs/dbraw/zinc/11/87/97/193118797.db2.gz AATFJWXREQBYCU-DZGCQCFKSA-N 0 0 306.381 2.277 50 0 DEAARN CCCn1cc(C(=O)N(C)CCCc2cnn(C)c2)c(C)n1 ZINC000091871334 193121430 /nfs/dbraw/zinc/12/14/30/193121430.db2.gz MWQFXUGBUPVTQL-UHFFFAOYSA-N 0 0 303.410 2.040 50 0 DEAARN CCNc1ncc(C(=O)NC[C@@H](C)N(C)c2ccccc2)cn1 ZINC000091893520 193123546 /nfs/dbraw/zinc/12/35/46/193123546.db2.gz BAXOGIPJTFFENX-CYBMUJFWSA-N 0 0 313.405 2.163 50 0 DEAARN NC(=O)c1cc2c(nc1C[C@@H]1COc3ccccc3C1)CCC2 ZINC000091914971 193126311 /nfs/dbraw/zinc/12/63/11/193126311.db2.gz NPOSNSVZEQSGGT-GFCCVEGCSA-N 0 0 308.381 2.463 50 0 DEAARN CCC[C@@]1(CO)CCCN(C(=O)c2nnc3n2CCCCC3)C1 ZINC000091943783 193129530 /nfs/dbraw/zinc/12/95/30/193129530.db2.gz UBYUXCNQLUBXLB-QGZVFWFLSA-N 0 0 320.437 2.019 50 0 DEAARN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2C(=O)c2ccco2)C1 ZINC000091997495 193138969 /nfs/dbraw/zinc/13/89/69/193138969.db2.gz PWFSZWVIHYUUKE-UONOGXRCSA-N 0 0 314.389 2.048 50 0 DEAARN O=C(CCN1Cc2ccccc2C1=O)NC1Cc2ccccc2C1 ZINC000215742078 201470410 /nfs/dbraw/zinc/47/04/10/201470410.db2.gz IGCAGLDUZPVIRZ-UHFFFAOYSA-N 0 0 320.392 2.316 50 0 DEAARN COC(=O)[C@@H](NCc1cnc2nc(C)cc(C)n12)C(C)(C)C ZINC000097162276 283949851 /nfs/dbraw/zinc/94/98/51/283949851.db2.gz VZHYJCXOXAWAGU-CYBMUJFWSA-N 0 0 304.394 2.023 50 0 DEAARN O=C(Cc1cccs1)NCCn1ccnc1-c1ccccn1 ZINC000217859787 201526491 /nfs/dbraw/zinc/52/64/91/201526491.db2.gz JDJPGJBDLKZJBW-UHFFFAOYSA-N 0 0 312.398 2.366 50 0 DEAARN c1nc2ncnc(N[C@@H]3[C@@H](Cc4ccccc4)[C@H]4OCC[C@@H]34)c2[nH]1 ZINC000218982447 201548147 /nfs/dbraw/zinc/54/81/47/201548147.db2.gz BDFHPQVFSFJAFF-FQLMCAECSA-N 0 0 321.384 2.411 50 0 DEAARN C[C@@H](NC(=O)CCc1cccnc1)c1nc(-c2cccnc2)no1 ZINC000219894728 201565455 /nfs/dbraw/zinc/56/54/55/201565455.db2.gz CFVVKPIECXLRRL-GFCCVEGCSA-N 0 0 323.356 2.337 50 0 DEAARN CCOc1ccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1OCC ZINC000220180532 201572537 /nfs/dbraw/zinc/57/25/37/201572537.db2.gz RWFQAPMYFIBRPN-IPYPFGDCSA-N 0 0 305.374 2.391 50 0 DEAARN COc1ccnc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000223653663 201651828 /nfs/dbraw/zinc/65/18/28/201651828.db2.gz UQRRBDUZONQPHA-KRWDZBQOSA-N 0 0 322.368 2.458 50 0 DEAARN CC(C)[C@@H](Cn1nccn1)NC(=O)CSCc1ccccc1 ZINC000253473551 202892461 /nfs/dbraw/zinc/89/24/61/202892461.db2.gz WIZOCOYJFBDDFN-OAHLLOKOSA-N 0 0 318.446 2.352 50 0 DEAARN Cc1noc(C)c1CCn1c(=O)ncn1-c1cc(C)ccc1C ZINC000092268725 193183948 /nfs/dbraw/zinc/18/39/48/193183948.db2.gz YEMXJNDYDJHMDE-UHFFFAOYSA-N 0 0 312.373 2.498 50 0 DEAARN CNc1nnc(SCc2cc(=O)n3c(C)cccc3n2)s1 ZINC000007076574 181437936 /nfs/dbraw/zinc/43/79/36/181437936.db2.gz QQQMREKNOITWHC-UHFFFAOYSA-N 0 0 319.415 2.188 50 0 DEAARN O=C(CCc1ccco1)OCC(=O)c1ccc2c(c1)OCO2 ZINC000007290607 181452219 /nfs/dbraw/zinc/45/22/19/181452219.db2.gz WFABDBURQQOLTN-UHFFFAOYSA-N 0 0 302.282 2.367 50 0 DEAARN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1OC ZINC000007616133 181480554 /nfs/dbraw/zinc/48/05/54/181480554.db2.gz YRNZWOUDAACXRP-KBXCAEBGSA-N 0 0 319.401 2.471 50 0 biogenic DEAARN COC(=O)Cn1c(SCC(C)C)nc2ccccc2c1=O ZINC000007753065 181492914 /nfs/dbraw/zinc/49/29/14/181492914.db2.gz RGQDKKJYANFHIG-UHFFFAOYSA-N 0 0 306.387 2.318 50 0 DEAARN CNc1snc(C)c1C(=O)OCCNC(=O)c1ccccc1 ZINC000095942886 193453297 /nfs/dbraw/zinc/45/32/97/193453297.db2.gz NMJNBFCLOIYIAG-UHFFFAOYSA-N 0 0 319.386 2.080 50 0 DEAARN CN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C1CC1 ZINC000095954902 193457987 /nfs/dbraw/zinc/45/79/87/193457987.db2.gz LKIZNSZGHLMKMY-UHFFFAOYSA-N 0 0 308.687 2.141 50 0 DEAARN COCCOCCC(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000095961452 193460732 /nfs/dbraw/zinc/46/07/32/193460732.db2.gz FMWXMRNVUJJOQJ-AWEZNQCLSA-N 0 0 306.406 2.301 50 0 DEAARN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](CCO)C1 ZINC000095979541 193473010 /nfs/dbraw/zinc/47/30/10/193473010.db2.gz DYCHCZNGXZTHQD-NOZJJQNGSA-N 0 0 318.200 2.258 50 0 DEAARN C[C@H](CN1C(=O)N[C@H](CC(F)F)C1=O)Oc1ccccc1F ZINC000095992597 193482808 /nfs/dbraw/zinc/48/28/08/193482808.db2.gz SLAUPOPZMORLPC-PSASIEDQSA-N 0 0 316.279 2.169 50 0 DEAARN Cc1cc(C)n(CC2CCN(C(=O)NCC(F)(F)F)CC2)n1 ZINC000095995015 193483821 /nfs/dbraw/zinc/48/38/21/193483821.db2.gz SMHJWSYJKLGOHW-UHFFFAOYSA-N 0 0 318.343 2.484 50 0 DEAARN Cc1nccn1C[C@H](C)CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000095996302 193484814 /nfs/dbraw/zinc/48/48/14/193484814.db2.gz KCTJCCQVCRRALP-TZMCWYRMSA-N 0 0 322.453 2.473 50 0 DEAARN CCOc1ccc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)nn1 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/nfs/dbraw/zinc/83/17/97/424831797.db2.gz YVBWQJJTNBMJQK-UHFFFAOYSA-N 0 0 317.418 2.214 50 0 DEAARN CN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)C1=CCCC1 ZINC000044906983 424813945 /nfs/dbraw/zinc/81/39/45/424813945.db2.gz BZCLHCZUFVUFSX-UHFFFAOYSA-N 0 0 317.320 2.169 50 0 DEAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1 ZINC000044894996 424814101 /nfs/dbraw/zinc/81/41/01/424814101.db2.gz QYHVVIOMCZUTKS-YPMHNXCESA-N 0 0 314.389 2.190 50 0 DEAARN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000044889554 424814243 /nfs/dbraw/zinc/81/42/43/424814243.db2.gz AHRVVDJRDYQBCP-CZUORRHYSA-N 0 0 316.401 2.032 50 0 DEAARN NC(=O)CC1CCN(C(=O)c2csc(-c3ccco3)n2)CC1 ZINC000044955623 424814458 /nfs/dbraw/zinc/81/44/58/424814458.db2.gz XMQHQIXNEOTCLF-UHFFFAOYSA-N 0 0 319.386 2.131 50 0 DEAARN Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1cccs1 ZINC000044950224 424814898 /nfs/dbraw/zinc/81/48/98/424814898.db2.gz MNQYQBSHWZHGMI-UHFFFAOYSA-N 0 0 314.374 2.354 50 0 DEAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](C)n3ccnc3)cn2)n1 ZINC000044973295 424815061 /nfs/dbraw/zinc/81/50/61/424815061.db2.gz CRRVNVFCZPCLED-CYBMUJFWSA-N 0 0 310.361 2.280 50 0 DEAARN CSc1nnc(CN2C(=O)N[C@](C)(CC(C)C)C2=O)s1 ZINC000049418298 424836591 /nfs/dbraw/zinc/83/65/91/424836591.db2.gz VDQLPXCMRLBOAT-GFCCVEGCSA-N 0 0 314.436 2.117 50 0 DEAARN CCOC(=O)[C@H]1C=NN(c2nc(-c3ccccc3)cs2)C1=O ZINC000101461198 424847005 /nfs/dbraw/zinc/84/70/05/424847005.db2.gz KBYRBTOZJDEBEW-NSHDSACASA-N 0 0 315.354 2.322 50 0 DEAARN Cc1noc([C@H]2CCCN(CN3C(=O)[C@@H](C)CC3(C)C)C2)n1 ZINC000108162514 424851150 /nfs/dbraw/zinc/85/11/50/424851150.db2.gz QWISUVJBJPRBQN-AAEUAGOBSA-N 0 0 306.410 2.162 50 0 DEAARN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2nc[nH]n2)C12CCCCC2 ZINC000108463827 424851271 /nfs/dbraw/zinc/85/12/71/424851271.db2.gz ATODFZRQYQHCJX-FRRDWIJNSA-N 0 0 321.425 2.293 50 0 DEAARN CN(C)C(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000169892106 424863014 /nfs/dbraw/zinc/86/30/14/424863014.db2.gz KKSUIVDXVALLLB-UHFFFAOYSA-N 0 0 309.797 2.216 50 0 DEAARN Cc1ncc2n1CC[C@@H](C(=O)Nc1cc(C3CCCC3)[nH]n1)C2 ZINC000377899167 424904439 /nfs/dbraw/zinc/90/44/39/424904439.db2.gz DJIGYLYHBLMRSW-CYBMUJFWSA-N 0 0 313.405 2.773 50 0 DEAARN C[C@H]1C[C@@H](C(=O)N2CCc3nc(N)ncc3C2)CC(C)(C)C1 ZINC000567117949 424913090 /nfs/dbraw/zinc/91/30/90/424913090.db2.gz JOAHQDQVZHTSBS-NWDGAFQWSA-N 0 0 302.422 2.406 50 0 DEAARN c1cc([C@H]2CCCN(Cc3nnc(-c4cccnc4)o3)C2)n[nH]1 ZINC000244659530 424886318 /nfs/dbraw/zinc/88/63/18/424886318.db2.gz HEGJJJLPQQKRSX-ZDUSSCGKSA-N 0 0 310.361 2.234 50 0 DEAARN CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2C ZINC000252511322 424888503 /nfs/dbraw/zinc/88/85/03/424888503.db2.gz ZYKBKQBOPOVFFS-GFCCVEGCSA-N 0 0 324.446 2.453 50 0 DEAARN COCCOc1cccc(C(=O)N2CCC([C@@H](C)CO)CC2)c1 ZINC000652863317 425345806 /nfs/dbraw/zinc/34/58/06/425345806.db2.gz UQEKQUPHGYZMBO-AWEZNQCLSA-N 0 0 321.417 2.192 50 0 DEAARN CCn1cc([C@H](C)NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cn1 ZINC000334069666 269014864 /nfs/dbraw/zinc/01/48/64/269014864.db2.gz 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/nfs/dbraw/zinc/07/81/54/278078154.db2.gz AJQKIFHIPADKKG-UHFFFAOYSA-N 0 0 320.155 2.124 50 0 DEAARN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000067125270 278388118 /nfs/dbraw/zinc/38/81/18/278388118.db2.gz PUXILKTUHUGBGX-STQMWFEESA-N 0 0 312.410 2.071 50 0 DEAARN C[C@H]1Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2NC1=O ZINC000071538856 278528228 /nfs/dbraw/zinc/52/82/28/278528228.db2.gz CZIDSHLIBGHCJH-SNVBAGLBSA-N 0 0 318.354 2.207 50 0 DEAARN CC1CCN(C(=O)COc2ccc(Cl)cc2C(N)=O)CC1 ZINC000007022591 278532787 /nfs/dbraw/zinc/53/27/87/278532787.db2.gz WKBSVSCJJHYTTF-UHFFFAOYSA-N 0 0 310.781 2.076 50 0 DEAARN Cc1nc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)no1 ZINC000136752889 279069657 /nfs/dbraw/zinc/06/96/57/279069657.db2.gz MSYWMRZZQAUHEG-HUUCEWRRSA-N 0 0 323.356 2.233 50 0 DEAARN CCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc2n[nH]nc21 ZINC000299766152 279219059 /nfs/dbraw/zinc/21/90/59/279219059.db2.gz BPQQRAROEPGJBL-NSHDSACASA-N 0 0 303.366 2.381 50 0 DEAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nccc(C(F)(F)F)n1 ZINC000106518578 279581767 /nfs/dbraw/zinc/58/17/67/279581767.db2.gz OWGATWBBSRZHBS-UTLUCORTSA-N 0 0 314.311 2.118 50 0 DEAARN CCOC(=O)[C@@H]1C(=O)N[C@H]2c3ccccc3O[C@H]3CCCC[C@@]213 ZINC000004028835 279585243 /nfs/dbraw/zinc/58/52/43/279585243.db2.gz SEVNYVDCZGGKSS-XSWJXKHESA-N 0 0 315.369 2.358 50 0 biogenic DEAARN NC(=O)c1ccc2c(c1)CCCN2C(=O)CCC(F)(F)F ZINC000097164814 279605841 /nfs/dbraw/zinc/60/58/41/279605841.db2.gz LXXQGLLMWFPWNG-UHFFFAOYSA-N 0 0 300.280 2.407 50 0 DEAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CSCC(N)=O ZINC000079320824 288164022 /nfs/dbraw/zinc/16/40/22/288164022.db2.gz HODCOSNHWJCRCT-HUUCEWRRSA-N 0 0 320.458 2.390 50 0 DEAARN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(N2CCCC2)nc1 ZINC000096449512 280002887 /nfs/dbraw/zinc/00/28/87/280002887.db2.gz ASVRQSXTBUQZEJ-AEFFLSMTSA-N 0 0 323.396 2.070 50 0 DEAARN Cc1c(I)c(=O)n(-c2ccccc2)n1C ZINC000000061485 280240113 /nfs/dbraw/zinc/24/01/13/280240113.db2.gz ZZOBLCHCPLOXCE-UHFFFAOYSA-N 0 0 314.126 2.089 50 0 in-man DEAARN O=S(=O)(C[C@@H](CN1CCCC1)N1CCCC1)c1ccccc1 ZINC000019369669 280336779 /nfs/dbraw/zinc/33/67/79/280336779.db2.gz AAJFWNLHEMRDLO-MRXNPFEDSA-N 0 0 322.474 2.021 50 0 DEAARN Cc1cc(C(=O)NN2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cs1 ZINC000020352907 280350710 /nfs/dbraw/zinc/35/07/10/280350710.db2.gz UQAJZGXXGXJMID-STQMWFEESA-N 0 0 318.398 2.433 50 0 DEAARN O=c1n(Cc2ccccc2C(F)(F)F)nnn1-c1ccccc1 ZINC000014245898 280396045 /nfs/dbraw/zinc/39/60/45/280396045.db2.gz DICOLHOHRZYVIE-UHFFFAOYSA-N 0 0 320.274 2.496 50 0 DEAARN CCn1cnnc1CNC(=O)N1CCSC2(CCCCC2)C1 ZINC000079941350 281662156 /nfs/dbraw/zinc/66/21/56/281662156.db2.gz SLKVAQRRHCTDAM-UHFFFAOYSA-N 0 0 323.466 2.259 50 0 DEAARN CC1CCC(O)(CS(=O)(=O)Cc2nccn2C(F)F)CC1 ZINC000095463528 281765870 /nfs/dbraw/zinc/76/58/70/281765870.db2.gz QDOJDGBDWFAUPO-UHFFFAOYSA-N 0 0 322.377 2.134 50 0 DEAARN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC000375995116 281984507 /nfs/dbraw/zinc/98/45/07/281984507.db2.gz YJWIEYDXNFRWCI-CABCVRRESA-N 0 0 312.413 2.175 50 0 DEAARN C[C@H](Sc1nnnn1C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007814635 290193888 /nfs/dbraw/zinc/19/38/88/290193888.db2.gz VWZYXEQRAUTDKQ-RXOVYUGGSA-N 0 0 306.435 2.476 50 0 DEAARN CN1c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(C)(C)C1=O ZINC000021108895 290318814 /nfs/dbraw/zinc/31/88/14/290318814.db2.gz QAGCWUCBWVOVJJ-UHFFFAOYSA-N 0 0 310.419 2.017 50 0 DEAARN Cc1nc(NC(=O)Cn2cnc3ccsc3c2=O)sc1C ZINC000042154643 293313996 /nfs/dbraw/zinc/31/39/96/293313996.db2.gz ZCPOGYNYVBVCQK-UHFFFAOYSA-N 0 0 320.399 2.170 50 0 DEAARN CO[C@H](C)CS(=O)(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000195372747 294294053 /nfs/dbraw/zinc/29/40/53/294294053.db2.gz RBBVPZKHQURKSA-CHWSQXEVSA-N 0 0 312.435 2.086 50 0 DEAARN COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000017823449 294958823 /nfs/dbraw/zinc/95/88/23/294958823.db2.gz LHRWRSUKQSYQCP-BETUJISGSA-N 0 0 313.419 2.110 50 0 DEAARN COc1ccc(CN2C(=O)[C@@H](C)NC2=S)c(C(F)(F)F)c1 ZINC000065593954 295128530 /nfs/dbraw/zinc/12/85/30/295128530.db2.gz HMFCXCJPQNYBRV-SSDOTTSWSA-N 0 0 318.320 2.319 50 0 DEAARN O=C(NCCF)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000281645293 295644707 /nfs/dbraw/zinc/64/47/07/295644707.db2.gz WJCCIFFGFYEACN-HOCLYGCPSA-N 0 0 312.360 2.168 50 0 DEAARN C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000299745364 297353682 /nfs/dbraw/zinc/35/36/82/297353682.db2.gz YJHGNZANEZJSNF-NPJQDHAYSA-N 0 0 322.449 2.209 50 0 DEAARN C[C@H](CNS(=O)(=O)c1ccccc1)N(C)c1ccccc1 ZINC000045745494 298776717 /nfs/dbraw/zinc/77/67/17/298776717.db2.gz HQKPWYLKETYSIZ-CQSZACIVSA-N 0 0 304.415 2.490 50 0 DEAARN Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc3nccnc31)CC(=O)O2 ZINC000095472868 301436157 /nfs/dbraw/zinc/43/61/57/301436157.db2.gz WHRASDPUYLGTTN-NSHDSACASA-N 0 0 307.309 2.068 50 0 DEAARN Cc1ccc([C@H]2COCCN2C(=O)COCC(F)(F)F)o1 ZINC000116702814 301828189 /nfs/dbraw/zinc/82/81/89/301828189.db2.gz KHKCEJURGZCCGB-SNVBAGLBSA-N 0 0 307.268 2.067 50 0 DEAARN Cc1ccn2c(nnc2C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 ZINC000426478840 302262073 /nfs/dbraw/zinc/26/20/73/302262073.db2.gz DCSFDBADKZGASC-SJKOYZFVSA-N 0 0 313.405 2.474 50 0 DEAARN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C)Oc2ccccc21 ZINC000069774732 302748184 /nfs/dbraw/zinc/74/81/84/302748184.db2.gz SKXRFRZBFAPEAH-JTQLQIEISA-N 0 0 321.402 2.013 50 0 DEAARN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc(F)cc1 ZINC000095458952 302779000 /nfs/dbraw/zinc/77/90/00/302779000.db2.gz KOJINEUSVNZKRS-OAHLLOKOSA-N 0 0 317.364 2.390 50 0 DEAARN Cn1cccc1[C@H]1CCCCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000065568778 302977003 /nfs/dbraw/zinc/97/70/03/302977003.db2.gz VIIVMOBAXUWVCA-OAHLLOKOSA-N 0 0 316.405 2.077 50 0 DEAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1)C2=O ZINC000003319957 331479540 /nfs/dbraw/zinc/47/95/40/331479540.db2.gz WBVAAHUOXIIKBH-SJCJKPOMSA-N 0 0 315.373 2.126 50 0 DEAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 ZINC000007471530 331502956 /nfs/dbraw/zinc/50/29/56/331502956.db2.gz AAUYYMCYCHLCCY-OAHLLOKOSA-N 0 0 300.402 2.402 50 0 DEAARN COc1ccc2cc(CNC(=O)c3nccnc3N)ccc2c1 ZINC000011126988 331522573 /nfs/dbraw/zinc/52/25/73/331522573.db2.gz NBZWSYLFLLPTBY-UHFFFAOYSA-N 0 0 308.341 2.151 50 0 DEAARN O=C(Cc1cccs1)NCC1(N2CCOCC2)CCCCC1 ZINC000033025953 331639234 /nfs/dbraw/zinc/63/92/34/331639234.db2.gz DRGYXUZMRZBYIT-UHFFFAOYSA-N 0 0 322.474 2.442 50 0 DEAARN CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000056794009 331784981 /nfs/dbraw/zinc/78/49/81/331784981.db2.gz DEHLHAXTKPKMPJ-GXTWGEPZSA-N 0 0 319.405 2.114 50 0 DEAARN O=S(=O)([N-]c1cn[nH]c1)c1ccc(F)c(Br)c1 ZINC000090230618 332084010 /nfs/dbraw/zinc/08/40/10/332084010.db2.gz ITKYCBNVFMSFBS-UHFFFAOYSA-N 0 0 320.143 2.112 50 0 DEAARN CC(C)(C)C(C)(C)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 ZINC000521394276 333148973 /nfs/dbraw/zinc/14/89/73/333148973.db2.gz MZHGBUKJDSRNEB-AWEZNQCLSA-N 0 0 321.417 2.279 50 0 DEAARN Cn1ccnc1SCCNC(=O)c1cc2ccccc2n1C ZINC000215930910 333387544 /nfs/dbraw/zinc/38/75/44/333387544.db2.gz SUCOWVSDUOEYJL-UHFFFAOYSA-N 0 0 314.414 2.434 50 0 DEAARN CC[C@H](C)c1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)OC2=O)cc1 ZINC000240707840 333532839 /nfs/dbraw/zinc/53/28/39/333532839.db2.gz HQTJFBNBFIWJRC-WDMOLILDSA-N 0 0 311.403 2.182 50 0 DEAARN C[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1nc(C2CC2)no1 ZINC000534580379 334289081 /nfs/dbraw/zinc/28/90/81/334289081.db2.gz DKMYEXXYZNHUHA-SECBINFHSA-N 0 0 315.377 2.050 50 0 DEAARN CC[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ncnn1C ZINC000534587259 334292404 /nfs/dbraw/zinc/29/24/04/334292404.db2.gz ANABSCLCROLMNI-CYBMUJFWSA-N 0 0 318.352 2.185 50 0 DEAARN Cc1cnn([C@@H](C)CNS(=O)(=O)c2ccc(C)cc2F)c1 ZINC000534592085 334294592 /nfs/dbraw/zinc/29/45/92/334294592.db2.gz PKVCHMWNLOTQFU-LBPRGKRZSA-N 0 0 311.382 2.179 50 0 DEAARN Cc1cc(C)n(CCCN(C)C(=O)NCc2ccnc(C)c2)n1 ZINC000534642980 334305856 /nfs/dbraw/zinc/30/58/56/334305856.db2.gz VHUDDONIRSEUKU-UHFFFAOYSA-N 0 0 315.421 2.435 50 0 DEAARN COCc1ccc(C(=O)N[C@H](c2ncnn2C)C(C)C)s1 ZINC000534632345 334307740 /nfs/dbraw/zinc/30/77/40/334307740.db2.gz BQNPGMUGUAVDGR-LBPRGKRZSA-N 0 0 308.407 2.150 50 0 DEAARN CC(C)SCCN1CCC([N@@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000534637705 334309861 /nfs/dbraw/zinc/30/98/61/334309861.db2.gz IVNMKVYOHRSGQP-CQSZACIVSA-N 0 0 314.495 2.389 50 0 DEAARN CCCC[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)c1cccnc1 ZINC000534660462 334313380 /nfs/dbraw/zinc/31/33/80/334313380.db2.gz GKKIPVOXUPUZEU-QGZVFWFLSA-N 0 0 318.465 2.067 50 0 DEAARN C[C@H](c1ccc(-c2nc(C(=O)[O-])nn2C)cc1)[NH+]1CCCC1 ZINC000534658828 334314885 /nfs/dbraw/zinc/31/48/85/334314885.db2.gz AAZZSOCUYACKFX-LLVKDONJSA-N 0 0 300.362 2.337 50 0 DEAARN CCCn1ncnc1[C@@H](C)NS(=O)(=O)c1cc(C)ccc1C ZINC000534647973 334316244 /nfs/dbraw/zinc/31/62/44/334316244.db2.gz SYWQTSZUMGUKMB-CYBMUJFWSA-N 0 0 322.434 2.344 50 0 DEAARN Cc1cnn([C@H](C)CNC(=O)CCCn2nc(C)cc2C)c1 ZINC000534649421 334317104 /nfs/dbraw/zinc/31/71/04/334317104.db2.gz DHZCGENGPFCIAB-OAHLLOKOSA-N 0 0 303.410 2.162 50 0 DEAARN Cc1[nH]c2c(c1C(=O)NCc1noc(C3CC3)n1)C(=O)CCC2 ZINC000534672979 334321270 /nfs/dbraw/zinc/32/12/70/334321270.db2.gz 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/nfs/dbraw/zinc/39/55/80/337395580.db2.gz QXDHZIPYZRYLLK-BXKDBHETSA-N 0 0 312.211 2.116 50 0 DEAARN O=S(=O)(c1ccoc1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000577620419 341924202 /nfs/dbraw/zinc/92/42/02/341924202.db2.gz JKLRVOQWSXGSRE-AWEZNQCLSA-N 0 0 318.398 2.105 50 0 DEAARN COC(=O)C[C@@H](C)NC(=O)c1c(C)oc(C)c1Br ZINC000074051685 500788431 /nfs/dbraw/zinc/78/84/31/500788431.db2.gz WCPSUJNSOPKXJK-ZCFIWIBFSA-N 0 0 318.167 2.340 50 0 DEAARN O=C(Nc1nnc(CC2CCCCC2)s1)[C@@H]1COCCO1 ZINC000069485785 501069622 /nfs/dbraw/zinc/06/96/22/501069622.db2.gz KAWRLHBNGGZZRN-NSHDSACASA-N 0 0 311.407 2.015 50 0 DEAARN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000248097161 534215301 /nfs/dbraw/zinc/21/53/01/534215301.db2.gz MWVJTOVVTDFJDL-UEEZHKSASA-N 0 0 304.365 2.042 50 0 DEAARN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCS(C)(=O)=O)cc1 ZINC000096418251 517487749 /nfs/dbraw/zinc/48/77/49/517487749.db2.gz IWKSYDRHSQXXFO-GJZGRUSLSA-N 0 0 309.431 2.074 50 0 DEAARN COc1cc2c(cc1OC)[C@H]1CC3=C(CCCN3)C(=O)N1CC2 ZINC000001394970 518140859 /nfs/dbraw/zinc/14/08/59/518140859.db2.gz MQPMPGZUUSPQCT-OAHLLOKOSA-N 0 0 314.385 2.171 50 0 DEAARN OCC1(CNc2cncc(-c3cccs3)n2)CCOCC1 ZINC000293189284 534347426 /nfs/dbraw/zinc/34/74/26/534347426.db2.gz WGUTYTZKUIRAHT-UHFFFAOYSA-N 0 0 305.403 2.406 50 0 DEAARN CC(C)c1nccn1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000120795783 519880187 /nfs/dbraw/zinc/88/01/87/519880187.db2.gz OBLRWMMOIWZNKY-UHFFFAOYSA-N 0 0 323.418 2.432 50 0 DEAARN O=C(NCc1csc(=O)[nH]1)c1cccn1Cc1cccs1 ZINC000179146617 534698172 /nfs/dbraw/zinc/69/81/72/534698172.db2.gz IAFHCKKQWBJHPM-UHFFFAOYSA-N 0 0 319.411 2.278 50 0 DEAARN O=C(NCc1nnc2ccccn21)c1[nH]cnc1-c1ccccc1 ZINC000426566869 534705188 /nfs/dbraw/zinc/70/51/88/534705188.db2.gz JYKSEEPPOXMZCC-UHFFFAOYSA-N 0 0 318.340 2.049 50 0 DEAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCn2nccc2C1 ZINC000238814533 534868231 /nfs/dbraw/zinc/86/82/31/534868231.db2.gz BDCHSDNRHQERRK-UHFFFAOYSA-N 0 0 313.386 2.095 50 0 DEAARN CC(=O)c1ccc(C(=O)NCc2nc(CC(C)C)no2)s1 ZINC000299758808 527259041 /nfs/dbraw/zinc/25/90/41/527259041.db2.gz LZRIQOXEFDSKOH-UHFFFAOYSA-N 0 0 307.375 2.462 50 0 DEAARN CC(=O)c1cccc(CNC(=O)CCNC(=O)OC(C)(C)C)c1 ZINC000408517269 527356965 /nfs/dbraw/zinc/35/69/65/527356965.db2.gz FHCJDEJNGCIMHQ-UHFFFAOYSA-N 0 0 320.389 2.420 50 0 DEAARN CCN1CCO[C@@H](C(=O)N2CCC[C@H]2c2ccccc2C)C1 ZINC000252668870 527725055 /nfs/dbraw/zinc/72/50/55/527725055.db2.gz FVELOQPSXZMMMD-DLBZAZTESA-N 0 0 302.418 2.379 50 0 DEAARN CC1(C)OC(=O)c2c1cccc2C(=O)NC[C@@H]1CCCOC1 ZINC000408522452 527795506 /nfs/dbraw/zinc/79/55/06/527795506.db2.gz JJFUSPJIIXIANZ-NSHDSACASA-N 0 0 303.358 2.249 50 0 DEAARN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000252463491 529173383 /nfs/dbraw/zinc/17/33/83/529173383.db2.gz YLOVEDMFJREJQW-JURCDPSOSA-N 0 0 303.406 2.145 50 0 DEAARN CC[C@@H]1C=CCN1C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000299757626 529266457 /nfs/dbraw/zinc/26/64/57/529266457.db2.gz LLXKNSMQVLYNOR-OAHLLOKOSA-N 0 0 313.401 2.111 50 0 DEAARN Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1 ZINC000001056688 560180239 /nfs/dbraw/zinc/18/02/39/560180239.db2.gz MCBSZIDQUDBWTG-UHFFFAOYSA-N 0 0 318.340 2.476 50 0 in-vitro DEAARN COc1cc(C)[nH]c(=NNC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)n1 ZINC000170649137 563481197 /nfs/dbraw/zinc/48/11/97/563481197.db2.gz UJYUQGLWLJXRBF-WDEREUQCSA-N 0 0 318.402 2.410 50 0 DEAARN C[C@H](NC(=O)c1[nH]nnc1-c1ccc(F)cc1)c1ccncc1 ZINC000206652389 563623419 /nfs/dbraw/zinc/62/34/19/563623419.db2.gz MLZMJSUKZHJFHT-JTQLQIEISA-N 0 0 311.320 2.497 50 0 DEAARN COC(=O)CCNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588462 563808412 /nfs/dbraw/zinc/80/84/12/563808412.db2.gz UJOFAHWTWMDVQU-ZDUSSCGKSA-N 0 0 306.387 2.208 50 0 DEAARN C[C@@]1(CNC(=O)Cn2ncc3ccccc32)CCCC[C@@H]1O ZINC000170018323 563902543 /nfs/dbraw/zinc/90/25/43/563902543.db2.gz FZEQBSZCAUSYOO-RDJZCZTQSA-N 0 0 301.390 2.094 50 0 DEAARN Cc1cc(C(=O)NCCC[S@@](C)=O)c2nccc(C)c2c1 ZINC000252486129 563915946 /nfs/dbraw/zinc/91/59/46/563915946.db2.gz 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ZINC000076089627 401781898 /nfs/dbraw/zinc/78/18/98/401781898.db2.gz GVMFEVPGOSRMLR-NSHDSACASA-N 0 0 310.398 2.121 50 0 DEAARN CC(C)N1C(=O)S/C(=C2\SC(=O)N(C(C)C)C2=O)C1=O ZINC000012289108 401782545 /nfs/dbraw/zinc/78/25/45/401782545.db2.gz OHZZXZTZIKZURA-FPLPWBNLSA-N 0 0 314.388 2.406 50 0 DEAARN COc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc(OC)c1OC ZINC000012383302 401784727 /nfs/dbraw/zinc/78/47/27/401784727.db2.gz LWJFYIBLFGZSEY-CMPLNLGQSA-N 0 0 309.362 2.010 50 0 DEAARN CCn1ccnc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000012444634 401786214 /nfs/dbraw/zinc/78/62/14/401786214.db2.gz LHLAVQXIVKJQFD-UHFFFAOYSA-N 0 0 320.343 2.144 50 0 DEAARN Cn1ccnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000012444481 401786233 /nfs/dbraw/zinc/78/62/33/401786233.db2.gz RXSVFIQFBSXATQ-UHFFFAOYSA-N 0 0 322.771 2.175 50 0 DEAARN COC(=O)c1ccc2nc(NC(=O)c3ccnn3C)sc2c1 ZINC000012444237 401786609 /nfs/dbraw/zinc/78/66/09/401786609.db2.gz IHZSORAYIDIGEA-UHFFFAOYSA-N 0 0 316.342 2.069 50 0 DEAARN O=C(Cn1ccnc1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000012525240 401786897 /nfs/dbraw/zinc/78/68/97/401786897.db2.gz LXHPYBSTPDYRSR-UHFFFAOYSA-N 0 0 315.764 2.420 50 0 DEAARN O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012507585 401787161 /nfs/dbraw/zinc/78/71/61/401787161.db2.gz ZBPQOOUWUDARGC-UHFFFAOYSA-N 0 0 321.340 2.304 50 0 DEAARN CCOC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000012538443 401787628 /nfs/dbraw/zinc/78/76/28/401787628.db2.gz YDDWBNIEKKDQIV-UHFFFAOYSA-N 0 0 314.183 2.123 50 0 DEAARN O=C(Cn1cccn1)N1CCO[C@H](CCCc2ccccc2)C1 ZINC000012580769 401788417 /nfs/dbraw/zinc/78/84/17/401788417.db2.gz PFBKGANRXMZZGW-QGZVFWFLSA-N 0 0 313.401 2.133 50 0 DEAARN Cn1cc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cn1 ZINC000012622944 401789787 /nfs/dbraw/zinc/78/97/87/401789787.db2.gz VSCJJXTZLFDAIY-SDQBBNPISA-N 0 0 319.267 2.366 50 0 DEAARN CSCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C ZINC000012716403 401790374 /nfs/dbraw/zinc/79/03/74/401790374.db2.gz INDJCWWVCXMNMF-SNVBAGLBSA-N 0 0 302.403 2.387 50 0 DEAARN Cn1ncc2c1ncnc2N1CCC([C@H](O)c2ccccc2)CC1 ZINC000012787556 401791544 /nfs/dbraw/zinc/79/15/44/401791544.db2.gz BUXVTDHSGZIBRK-MRXNPFEDSA-N 0 0 323.400 2.313 50 0 DEAARN O=C(CCNS(=O)(=O)c1ccccc1)NC1CCCCCC1 ZINC000012865767 401792760 /nfs/dbraw/zinc/79/27/60/401792760.db2.gz GTLCROOSOQISOG-UHFFFAOYSA-N 0 0 324.446 2.194 50 0 DEAARN Cc1cc(NCc2ccc(N3CCCC3=O)cc2)n2ncnc2n1 ZINC000012972700 401794784 /nfs/dbraw/zinc/79/47/84/401794784.db2.gz SUGBTBXUDWLCEJ-UHFFFAOYSA-N 0 0 322.372 2.172 50 0 DEAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000012987458 401794935 /nfs/dbraw/zinc/79/49/35/401794935.db2.gz ZFGNLQHITOEFBO-QWHCGFSZSA-N 0 0 324.446 2.200 50 0 DEAARN CCCCc1ccc(-n2nnnc2S[C@@H]2CCOC2=O)cc1 ZINC000012983106 401795009 /nfs/dbraw/zinc/79/50/09/401795009.db2.gz NKXMGCMKXOVOHU-CYBMUJFWSA-N 0 0 318.402 2.413 50 0 DEAARN CCC[C@H](C)NC(=O)COC(=O)c1cc(Br)c[nH]1 ZINC000013001073 401795543 /nfs/dbraw/zinc/79/55/43/401795543.db2.gz SMHIRYOYZONKIZ-QMMMGPOBSA-N 0 0 317.183 2.239 50 0 DEAARN 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/nfs/dbraw/zinc/93/39/50/540933950.db2.gz QVZPLHRSWPBMNE-OAHLLOKOSA-N 0 0 303.385 2.148 50 0 DEAARN COCCc1nc(Cc2ccccc2OC)n(-c2ccncc2)n1 ZINC000670440747 540934049 /nfs/dbraw/zinc/93/40/49/540934049.db2.gz HEAPSHCRGNZMSP-UHFFFAOYSA-N 0 0 324.384 2.451 50 0 DEAARN O[C@@]1(c2ccccc2)CCN(Cc2nc(C(F)(F)F)no2)C1 ZINC000670445997 540934668 /nfs/dbraw/zinc/93/46/68/540934668.db2.gz LBINCSVGWSOINJ-ZDUSSCGKSA-N 0 0 313.279 2.182 50 0 DEAARN CC(C)c1nnc(CN2CCOc3ccc(CO)cc3C2)o1 ZINC000670452784 540935511 /nfs/dbraw/zinc/93/55/11/540935511.db2.gz WKZSGSRYWXWIJG-UHFFFAOYSA-N 0 0 303.362 2.080 50 0 DEAARN CC(C)C1=NO[C@@H](C(=O)NCc2ccc(-c3ncon3)cc2)C1 ZINC000670451846 540935604 /nfs/dbraw/zinc/93/56/04/540935604.db2.gz KTOPNHVYFCOZIE-CQSZACIVSA-N 0 0 314.345 2.154 50 0 DEAARN C[C@@H]1C[C@H](C)n2ncnc2N1S(=O)(=O)/C=C\c1ccccc1 ZINC000606445260 361009752 /nfs/dbraw/zinc/00/97/52/361009752.db2.gz BTVDJVFDAREMOS-GFUJYOBASA-N 0 0 318.402 2.438 50 0 DEAARN O=C(NC1CCN(C(=O)N2CCCCC2)CC1)C1CC=CC1 ZINC000670455827 540936600 /nfs/dbraw/zinc/93/66/00/540936600.db2.gz SUXQESCSXUCNML-UHFFFAOYSA-N 0 0 305.422 2.139 50 0 DEAARN CC(C)CCOc1ccc(CCNC(=O)c2cc(N)n[nH]2)cc1 ZINC000670464617 540937777 /nfs/dbraw/zinc/93/77/77/540937777.db2.gz SWGJFNXHQAIOTM-UHFFFAOYSA-N 0 0 316.405 2.389 50 0 DEAARN CC1(C)CN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CCO1 ZINC000089919549 192905264 /nfs/dbraw/zinc/90/52/64/192905264.db2.gz OAUAFCIHRXWWAC-INIZCTEOSA-N 0 0 319.401 2.495 50 0 DEAARN CCc1noc(CN(CC)Cc2nnc(-c3ccco3)o2)n1 ZINC000244718943 202490544 /nfs/dbraw/zinc/49/05/44/202490544.db2.gz LTVMHZSUDXMCPX-UHFFFAOYSA-N 0 0 303.322 2.297 50 0 DEAARN O=C(COC(=O)Cc1ccc(F)cc1)NCc1ccccc1 ZINC000006344225 181333000 /nfs/dbraw/zinc/33/30/00/181333000.db2.gz WXTKPCSIBOLMRG-UHFFFAOYSA-N 0 0 301.317 2.228 50 0 DEAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCCC(=O)N2)cc1 ZINC000193781230 201123553 /nfs/dbraw/zinc/12/35/53/201123553.db2.gz ZFSUSEVBXZIHPZ-HNNXBMFYSA-N 0 0 304.390 2.149 50 0 DEAARN COc1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000006378048 181335556 /nfs/dbraw/zinc/33/55/56/181335556.db2.gz STEKAGDWSOJOJV-UHFFFAOYSA-N 0 0 319.382 2.029 50 0 DEAARN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000194307576 201198362 /nfs/dbraw/zinc/19/83/62/201198362.db2.gz YNBDVCOGTRGNDC-QGZVFWFLSA-N 0 0 321.421 2.007 50 0 DEAARN O=C(NC1CC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000006433360 181340844 /nfs/dbraw/zinc/34/08/44/181340844.db2.gz NKPAWFLQRNTKOO-UHFFFAOYSA-N 0 0 305.337 2.278 50 0 DEAARN O=C(Cc1ccsc1)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000244734324 202494232 /nfs/dbraw/zinc/49/42/32/202494232.db2.gz NDIUABTZOYZTPA-XHSDSOJGSA-N 0 0 316.426 2.184 50 0 DEAARN COc1ccc(/C=C\C(=O)OCC(=O)NCC(C)C)cc1OC ZINC000006459358 181342747 /nfs/dbraw/zinc/34/27/47/181342747.db2.gz MQELZDJGKTVHDS-VURMDHGXSA-N 0 0 321.373 2.032 50 0 DEAARN Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2nccs2)c1 ZINC000195028770 201328672 /nfs/dbraw/zinc/32/86/72/201328672.db2.gz UNRGGLZWAGNSNR-UHFFFAOYSA-N 0 0 310.400 2.172 50 0 DEAARN O=C(/C=C/c1ccc(F)cc1)NCc1cccnc1-n1cncn1 ZINC000058201111 283715995 /nfs/dbraw/zinc/71/59/95/283715995.db2.gz FQCMQFDZNLMMPM-VMPITWQZSA-N 0 0 323.331 2.131 50 0 DEAARN CC[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(OC)cc1 ZINC000195247321 201366598 /nfs/dbraw/zinc/36/65/98/201366598.db2.gz YZNPLJQZYCDDET-UONOGXRCSA-N 0 0 306.406 2.205 50 0 DEAARN COc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1F ZINC000006537578 181351586 /nfs/dbraw/zinc/35/15/86/181351586.db2.gz DPQFSMORGOOYNP-UHFFFAOYSA-N 0 0 317.316 2.308 50 0 DEAARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000006540488 181352640 /nfs/dbraw/zinc/35/26/40/181352640.db2.gz RPFMNYMWMJJBJN-SECBINFHSA-N 0 0 302.296 2.350 50 0 DEAARN COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1OC ZINC000006558181 181355176 /nfs/dbraw/zinc/35/51/76/181355176.db2.gz KJKHCFIZPAYVOH-UHFFFAOYSA-N 0 0 320.389 2.339 50 0 DEAARN CC(C)CNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000006624242 181362173 /nfs/dbraw/zinc/36/21/73/181362173.db2.gz ABFXVUZEXNVEEA-UHFFFAOYSA-N 0 0 321.373 2.287 50 0 biogenic DEAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCc2ccccc21 ZINC000006651877 181365301 /nfs/dbraw/zinc/36/53/01/181365301.db2.gz CNQFNQWCTZURKT-UHFFFAOYSA-N 0 0 305.337 2.055 50 0 DEAARN CCOC(=O)[C@@H](C[C@@H]1CC(c2ccc(OC)cc2)=NO1)C(C)=O ZINC000006658053 181366841 /nfs/dbraw/zinc/36/68/41/181366841.db2.gz XOIIZUSFRFCVKQ-CABCVRRESA-N 0 0 319.357 2.347 50 0 DEAARN Cn1c(=O)c2sccc2n(Cc2ccc(Cl)cc2)c1=O ZINC000006679712 181370358 /nfs/dbraw/zinc/37/03/58/181370358.db2.gz LQYDTLFQVWROOE-UHFFFAOYSA-N 0 0 306.774 2.463 50 0 DEAARN COc1ccc(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000006699407 181372097 /nfs/dbraw/zinc/37/20/97/181372097.db2.gz USOOAGSOFOFCSL-UHFFFAOYSA-N 0 0 309.329 2.057 50 0 DEAARN COc1cccc([C@@H]2CN(c3nc(C)cc(OC)n3)CCO2)c1 ZINC000675801351 541384886 /nfs/dbraw/zinc/38/48/86/541384886.db2.gz GBJBIDDDKACFGD-HNNXBMFYSA-N 0 0 315.373 2.380 50 0 DEAARN CCOCCCNC(=O)Nc1cn(C)c(=O)c2ccccc12 ZINC000006724767 181377368 /nfs/dbraw/zinc/37/73/68/181377368.db2.gz JVOJVQLMMZKZLT-UHFFFAOYSA-N 0 0 303.362 2.087 50 0 DEAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000006702621 181374391 /nfs/dbraw/zinc/37/43/91/181374391.db2.gz OIUXVZAWBZSXCM-UHFFFAOYSA-N 0 0 311.407 2.001 50 0 DEAARN CCOC(=O)N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000006743188 181381345 /nfs/dbraw/zinc/38/13/45/181381345.db2.gz YIUUBZKBSYJISY-UHFFFAOYSA-N 0 0 320.389 2.388 50 0 DEAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000006748912 181382733 /nfs/dbraw/zinc/38/27/33/181382733.db2.gz JLRVFWZRQSDGQZ-BXUZGUMPSA-N 0 0 320.414 2.385 50 0 DEAARN O=C(CNC(=O)c1ccccc1F)NCc1ccc(F)cc1 ZINC000006786263 181388218 /nfs/dbraw/zinc/38/82/18/181388218.db2.gz RYYNZNWPTDUNBY-UHFFFAOYSA-N 0 0 304.296 2.011 50 0 DEAARN Cc1cccc(Cn2cnc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)n2)c1 ZINC000006789193 181388974 /nfs/dbraw/zinc/38/89/74/181388974.db2.gz NEMOIXWIBWGTAM-GASCZTMLSA-N 0 0 324.384 2.314 50 0 DEAARN Cc1ccc(CN(C(=O)c2ccco2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000006810301 181393100 /nfs/dbraw/zinc/39/31/00/181393100.db2.gz LOBDRHZZKZZBNP-LBPRGKRZSA-N 0 0 323.370 2.011 50 0 DEAARN CCOCCCNC(=O)c1nnc(Cc2cccc(Cl)c2)o1 ZINC000006822275 181394974 /nfs/dbraw/zinc/39/49/74/181394974.db2.gz VYOQEXGJIXEDFX-UHFFFAOYSA-N 0 0 323.780 2.470 50 0 DEAARN COCCCNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000006820965 181395201 /nfs/dbraw/zinc/39/52/01/181395201.db2.gz BRSWZCHSBHMDOI-UHFFFAOYSA-N 0 0 309.753 2.080 50 0 DEAARN CC(=O)c1ccc(NC(=O)CN2Cc3ccccc3C2=O)cc1 ZINC000006875794 181399161 /nfs/dbraw/zinc/39/91/61/181399161.db2.gz BQJGVORSFMMUOD-UHFFFAOYSA-N 0 0 308.337 2.484 50 0 DEAARN O=C(COc1ccccc1F)N1CC(=O)Nc2ccccc21 ZINC000006885884 181401979 /nfs/dbraw/zinc/40/19/79/181401979.db2.gz HATOWAYMHFJCPE-UHFFFAOYSA-N 0 0 300.289 2.190 50 0 DEAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(C)ccc1C ZINC000006888218 181402171 /nfs/dbraw/zinc/40/21/71/181402171.db2.gz GYTKJWOVCRBTBG-UHFFFAOYSA-N 0 0 320.418 2.329 50 0 DEAARN O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000006923542 181406699 /nfs/dbraw/zinc/40/66/99/181406699.db2.gz ASLCLHVKNNEMEN-UHFFFAOYSA-N 0 0 317.776 2.171 50 0 DEAARN O=C(C[C@H]1CCc2ccccc21)NCc1cnn2cccnc12 ZINC000091452695 193058457 /nfs/dbraw/zinc/05/84/57/193058457.db2.gz BLVLRDFUYGNIQV-CQSZACIVSA-N 0 0 306.369 2.466 50 0 DEAARN Cc1nc2c(c(=O)n1C)CN(C(=O)C[C@@H]1CCc3ccccc31)C2 ZINC000091350519 193045545 /nfs/dbraw/zinc/04/55/45/193045545.db2.gz ZSKIIDBFCWYEPD-AWEZNQCLSA-N 0 0 323.396 2.051 50 0 DEAARN COCCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ncccc2C)C1 ZINC000091381198 193049475 /nfs/dbraw/zinc/04/94/75/193049475.db2.gz UPLPOGHXRPBWBQ-KRWDZBQOSA-N 0 0 306.406 2.483 50 0 DEAARN Cn1c2ccccc2nc1CCN1C[C@@]2(CCOC2)CCC1=O ZINC000091519005 193068189 /nfs/dbraw/zinc/06/81/89/193068189.db2.gz OLXMTZBFNGXRRB-SFHVURJKSA-N 0 0 313.401 2.145 50 0 DEAARN CCc1ccccc1C(=O)N1CC[C@@](O)(CCOC)[C@H](C)C1 ZINC000091519017 193068451 /nfs/dbraw/zinc/06/84/51/193068451.db2.gz MKDPXXDCVVUPNF-RDTXWAMCSA-N 0 0 305.418 2.499 50 0 DEAARN Cc1nc(CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)sc1C ZINC000091551916 193071986 /nfs/dbraw/zinc/07/19/86/193071986.db2.gz VSATYVCECJZFGJ-LBPRGKRZSA-N 0 0 323.462 2.066 50 0 DEAARN COCC[C@@]1(CO)CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000091550999 193072585 /nfs/dbraw/zinc/07/25/85/193072585.db2.gz GHRANPVYNATGGX-AWEZNQCLSA-N 0 0 301.770 2.184 50 0 DEAARN Cc1ccc([C@H](C(=O)N(C)CC2(CO)CCC2)N(C)C)cc1 ZINC000091562927 193073274 /nfs/dbraw/zinc/07/32/74/193073274.db2.gz NAQZDCPNTOGNKJ-MRXNPFEDSA-N 0 0 304.434 2.219 50 0 DEAARN CCc1nc(CCn2cc(-c3nc(C)n4ccccc34)nn2)no1 ZINC000091563426 193073303 /nfs/dbraw/zinc/07/33/03/193073303.db2.gz QZEGLXLPTDTYNA-UHFFFAOYSA-N 0 0 323.360 2.089 50 0 DEAARN CSc1nccc(N2CC[C@]3(C2)CCCN(C(C)C)C3=O)n1 ZINC000091645654 193084949 /nfs/dbraw/zinc/08/49/49/193084949.db2.gz YCLCRICWODHGHQ-INIZCTEOSA-N 0 0 320.462 2.426 50 0 DEAARN COCCN1CCC[C@]2(CCN(c3ncccc3Cl)C2)C1=O ZINC000091708048 193095452 /nfs/dbraw/zinc/09/54/52/193095452.db2.gz COQAJROMUSCCKZ-MRXNPFEDSA-N 0 0 323.824 2.200 50 0 DEAARN CCCn1ncc(C(=O)N[C@H](CC(C)C)c2ncnn2C)c1C ZINC000091624537 193080555 /nfs/dbraw/zinc/08/05/55/193080555.db2.gz JIBJPSIMMNYEFK-CQSZACIVSA-N 0 0 318.425 2.247 50 0 DEAARN CC[C@H](C(=O)N1CCC(Cc2nc(C)no2)CC1)n1cccn1 ZINC000091621390 193080691 /nfs/dbraw/zinc/08/06/91/193080691.db2.gz YVQBUTOMYHDIDJ-CQSZACIVSA-N 0 0 317.393 2.007 50 0 DEAARN O=C(c1cscn1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091765737 193104251 /nfs/dbraw/zinc/10/42/51/193104251.db2.gz VSNVDIDKDXXUDC-TVQRCGJNSA-N 0 0 310.325 2.369 50 0 DEAARN O=C(c1cscn1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091765740 193104253 /nfs/dbraw/zinc/10/42/53/193104253.db2.gz VSNVDIDKDXXUDC-NOZJJQNGSA-N 0 0 310.325 2.369 50 0 DEAARN O=C1NC[C@@H]2CN(Cc3cnc(-c4cccs4)s3)CCN12 ZINC000091865000 193119943 /nfs/dbraw/zinc/11/99/43/193119943.db2.gz NIYLEHNAGKLJHF-SNVBAGLBSA-N 0 0 320.443 2.081 50 0 DEAARN Cn1ccnc1SCCNC(=O)CCc1ccccc1F ZINC000215041636 201448490 /nfs/dbraw/zinc/44/84/90/201448490.db2.gz HYQKRBRRNMCZDT-UHFFFAOYSA-N 0 0 307.394 2.400 50 0 DEAARN NC(=O)c1cc2c(nc1C[C@H]1COc3ccccc3C1)CCC2 ZINC000091914972 193126096 /nfs/dbraw/zinc/12/60/96/193126096.db2.gz NPOSNSVZEQSGGT-LBPRGKRZSA-N 0 0 308.381 2.463 50 0 DEAARN COC[C@@H]1CCCN1C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000091964746 193133476 /nfs/dbraw/zinc/13/34/76/193133476.db2.gz ZBSBKHVIEKIGES-ZDUSSCGKSA-N 0 0 315.373 2.336 50 0 DEAARN Cc1nc2ncccn2c1C(=O)N1CC(Oc2ccccc2C)C1 ZINC000091964988 193133759 /nfs/dbraw/zinc/13/37/59/193133759.db2.gz OSAFMBLUVUCZIE-UHFFFAOYSA-N 0 0 322.368 2.250 50 0 DEAARN CCN(CCOC)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000091987304 193136721 /nfs/dbraw/zinc/13/67/21/193136721.db2.gz RAEQVRBJNKOTGO-UHFFFAOYSA-N 0 0 303.362 2.194 50 0 DEAARN Cn1ccnc1SCCNc1nccc(C(F)(F)F)n1 ZINC000091998126 193139224 /nfs/dbraw/zinc/13/92/24/193139224.db2.gz PEYVUJHQOMTCCT-UHFFFAOYSA-N 0 0 303.313 2.433 50 0 DEAARN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccco2)CCO1 ZINC000092018164 193143866 /nfs/dbraw/zinc/14/38/66/193143866.db2.gz GJZIIYRTULAXMM-TZMCWYRMSA-N 0 0 310.394 2.394 50 0 DEAARN Cc1cc(C[C@@H](C)NC(=O)c2cccc(Cn3cccn3)c2)[nH]n1 ZINC000092078095 193153942 /nfs/dbraw/zinc/15/39/42/193153942.db2.gz HVJCMDKPWJPHGH-CYBMUJFWSA-N 0 0 323.400 2.324 50 0 DEAARN Cc1cccc(CSCCCNC(=O)[C@@H]2CC(=O)N(C)C2)c1 ZINC000215633601 201466382 /nfs/dbraw/zinc/46/63/82/201466382.db2.gz KVDLMADGMYLCLL-OAHLLOKOSA-N 0 0 320.458 2.213 50 0 DEAARN COc1ccccc1CCCNC(=O)CCc1ccnn1C ZINC000216396969 201491923 /nfs/dbraw/zinc/49/19/23/201491923.db2.gz MDPTVEIUMFUDFF-UHFFFAOYSA-N 0 0 301.390 2.110 50 0 DEAARN OCCn1nc(CC2CC2)nc1-c1ccccc1-n1cccn1 ZINC000092081943 193154628 /nfs/dbraw/zinc/15/46/28/193154628.db2.gz IWCUCSROZPANJV-UHFFFAOYSA-N 0 0 309.373 2.076 50 0 DEAARN O=C(CO)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000352184855 146495876 /nfs/dbraw/zinc/49/58/76/146495876.db2.gz WVIWIEPEPVXRKF-UHFFFAOYSA-N 0 0 314.057 2.279 50 0 DEAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cn2ncsc2n1 ZINC000219622631 201559802 /nfs/dbraw/zinc/55/98/02/201559802.db2.gz IHGCBVWBCIYVIK-MRVPVSSYSA-N 0 0 316.342 2.011 50 0 DEAARN Cc1ccccc1[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000219611018 201560177 /nfs/dbraw/zinc/56/01/77/201560177.db2.gz UHDNBSKSQRTMFV-OAHLLOKOSA-N 0 0 300.402 2.323 50 0 DEAARN COCC[C@@H]1CN(C(=O)CCc2ccc(C)c(C)c2)CCO1 ZINC000219891155 201564538 /nfs/dbraw/zinc/56/45/38/201564538.db2.gz BVDNHIGEGQIHGJ-QGZVFWFLSA-N 0 0 305.418 2.500 50 0 DEAARN O=C(NCc1nncn1CCc1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000219871308 201564968 /nfs/dbraw/zinc/56/49/68/201564968.db2.gz HTYMEKDZCSYNDX-IXDOHACOSA-N 0 0 322.412 2.349 50 0 DEAARN O=C(CC1=CCCC1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000219986805 201568860 /nfs/dbraw/zinc/56/88/60/201568860.db2.gz YTWWYAPRZNOYNM-HUUCEWRRSA-N 0 0 302.374 2.235 50 0 DEAARN Cc1ccc(C(F)(F)F)cc1C(=O)NCCCn1ccnn1 ZINC000220054518 201569233 /nfs/dbraw/zinc/56/92/33/201569233.db2.gz JZCBBRXOJNRDPV-UHFFFAOYSA-N 0 0 312.295 2.425 50 0 DEAARN C[C@H]1CN(c2cn[nH]c(=O)c2Cl)C[C@@H](c2ccsc2)O1 ZINC000221873291 201595526 /nfs/dbraw/zinc/59/55/26/201595526.db2.gz BZEYGAWIEZDPKB-KWQFWETISA-N 0 0 311.794 2.451 50 0 DEAARN O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(=O)[nH]c1 ZINC000253535885 202895638 /nfs/dbraw/zinc/89/56/38/202895638.db2.gz VNUYNVIWCSFCLQ-WDMOLILDSA-N 0 0 304.371 2.091 50 0 DEAARN COC(=O)Cn1ncnc1-c1ncc(C(F)(F)F)cc1Cl ZINC000261494909 203073158 /nfs/dbraw/zinc/07/31/58/203073158.db2.gz RYPLULQWDXHOMI-UHFFFAOYSA-N 0 0 320.658 2.185 50 0 DEAARN CC(C)NC(=O)CNC(=O)c1csc(-c2ccsc2)n1 ZINC000007116349 181440072 /nfs/dbraw/zinc/44/00/72/181440072.db2.gz YBHRQSNWKGZWFY-UHFFFAOYSA-N 0 0 309.416 2.126 50 0 DEAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C1CCC1 ZINC000007122453 181440124 /nfs/dbraw/zinc/44/01/24/181440124.db2.gz YUHXQFXRUUCNBT-NSHDSACASA-N 0 0 316.357 2.094 50 0 DEAARN COC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC000058155334 284108690 /nfs/dbraw/zinc/10/86/90/284108690.db2.gz HGSHSYXZTUBKFJ-HNNXBMFYSA-N 0 0 315.300 2.407 50 0 DEAARN O=C(CSc1cccc[n+]1[O-])c1ccc2c(c1)OCCO2 ZINC000007507337 181470843 /nfs/dbraw/zinc/47/08/43/181470843.db2.gz CFENJXMNVZYRHD-UHFFFAOYSA-N 0 0 303.339 2.066 50 0 DEAARN C[C@@H](C(=O)[O-])[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000262672145 203376499 /nfs/dbraw/zinc/37/64/99/203376499.db2.gz SABJBLPLYHOZMP-NSHDSACASA-N 0 0 300.362 2.124 50 0 DEAARN CCCNC(=O)COC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000007625912 181480463 /nfs/dbraw/zinc/48/04/63/181480463.db2.gz GKMVWERDZDGTKV-UHFFFAOYSA-N 0 0 318.373 2.429 50 0 DEAARN COCc1cccc([C@H](C(=O)[O-])[N@H+](C)CC2CCOCC2)c1 ZINC000095368946 193435192 /nfs/dbraw/zinc/43/51/92/193435192.db2.gz BMVWWWFGRAVASZ-MRXNPFEDSA-N 0 0 307.390 2.317 50 0 DEAARN O=C(Nc1cccnc1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000007781051 181495449 /nfs/dbraw/zinc/49/54/49/181495449.db2.gz CXQLEPACEIJHIF-GFCCVEGCSA-N 0 0 301.371 2.386 50 0 DEAARN Cn1ccc(C(=O)N2CCC(COC3CCCC3)CC2)cc1=O ZINC000095949496 193456147 /nfs/dbraw/zinc/45/61/47/193456147.db2.gz XPYULLLTXYAYBX-UHFFFAOYSA-N 0 0 318.417 2.197 50 0 DEAARN Cc1nnc(Cn2c(-c3ccccc3C)csc2=O)n1C ZINC000095939540 193452233 /nfs/dbraw/zinc/45/22/33/193452233.db2.gz UWGBLMYPHDESME-UHFFFAOYSA-N 0 0 300.387 2.370 50 0 DEAARN Cc1ccnc(-c2ccc(NCCCS(C)(=O)=O)cc2)n1 ZINC000095967148 193464411 /nfs/dbraw/zinc/46/44/11/193464411.db2.gz FKAZMXAAJTYSGE-UHFFFAOYSA-N 0 0 305.403 2.299 50 0 DEAARN Cc1cccc(-n2cc(C(=O)Nc3cccc(N(C)C)n3)nn2)c1 ZINC000096006478 193487422 /nfs/dbraw/zinc/48/74/22/193487422.db2.gz BYTOTHMSNDQLFX-UHFFFAOYSA-N 0 0 322.372 2.289 50 0 DEAARN CC(C)N(C(=O)c1ccccc1-c1n[nH]c(CO)n1)C(C)C ZINC000096140475 193550272 /nfs/dbraw/zinc/55/02/72/193550272.db2.gz VPQMKRKJVFSOCW-UHFFFAOYSA-N 0 0 302.378 2.223 50 0 DEAARN CCC(=O)N1CCC2(CC1)N[C@H]([C@@H](C)CC)C(=O)N2[C@@H](C)CC ZINC000096211040 193584022 /nfs/dbraw/zinc/58/40/22/193584022.db2.gz YDDQUBMFGVNFIF-OFQRWUPVSA-N 0 0 323.481 2.360 50 0 DEAARN O=C(NCCc1ccncc1)c1[nH]nc2c1COc1ccccc1-2 ZINC000096223646 193590317 /nfs/dbraw/zinc/59/03/17/193590317.db2.gz NAPJPFGCZDZJII-UHFFFAOYSA-N 0 0 320.352 2.337 50 0 DEAARN Cc1nc(C(C)(C)NC(=O)c2cc3nc(C)ccc3o2)no1 ZINC000264122360 203722428 /nfs/dbraw/zinc/72/24/28/203722428.db2.gz CHGLAWOJGDIANR-UHFFFAOYSA-N 0 0 300.318 2.493 50 0 DEAARN C[C@H](Cc1ccc2ccccc2c1)NC(=O)NCC[S@](C)=O ZINC000096408823 193622609 /nfs/dbraw/zinc/62/26/09/193622609.db2.gz MHWMUADDONGWCW-MCMMXHMISA-N 0 0 318.442 2.449 50 0 DEAARN O=C(NCCCOC[C@@H]1CCOC1)c1ccc2[nH]ccc2c1 ZINC000096418855 193630453 /nfs/dbraw/zinc/63/04/53/193630453.db2.gz IJGGDWWBHCPATQ-ZDUSSCGKSA-N 0 0 302.374 2.341 50 0 DEAARN C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000096439239 193644900 /nfs/dbraw/zinc/64/49/00/193644900.db2.gz LRLBYWNPMOUAHT-VNHYZAJKSA-N 0 0 308.426 2.376 50 0 DEAARN CN1CC[C@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)C1=O ZINC000096440696 193646073 /nfs/dbraw/zinc/64/60/73/193646073.db2.gz MDIWDKGBGWVAMK-UBHUBRDASA-N 0 0 321.808 2.116 50 0 DEAARN C[C@H](c1cccs1)N(C)C(=O)COn1nnc2ccccc21 ZINC000096428806 193637495 /nfs/dbraw/zinc/63/74/95/193637495.db2.gz CDBOLGVQEIVUDO-LLVKDONJSA-N 0 0 316.386 2.141 50 0 DEAARN CCO[C@@H]1C[C@H](NC(=O)CCc2nc(C)no2)C12CCCC2 ZINC000096432528 193640412 /nfs/dbraw/zinc/64/04/12/193640412.db2.gz WLQSHEOKHKQOQC-QWHCGFSZSA-N 0 0 307.394 2.165 50 0 DEAARN CCO[C@H]1C[C@@H](NC(=O)CCc2nc(C)no2)C12CCCC2 ZINC000096432531 193640593 /nfs/dbraw/zinc/64/05/93/193640593.db2.gz WLQSHEOKHKQOQC-OLZOCXBDSA-N 0 0 307.394 2.165 50 0 DEAARN CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000096437140 193644188 /nfs/dbraw/zinc/64/41/88/193644188.db2.gz ZPIHQRVQEOCTNG-PSLIRLAXSA-N 0 0 317.380 2.351 50 0 DEAARN COC(=O)c1sccc1Cn1nnc(-c2ccsc2)n1 ZINC000096465905 193658309 /nfs/dbraw/zinc/65/83/09/193658309.db2.gz IXLQJLQHYSFXCM-UHFFFAOYSA-N 0 0 306.372 2.298 50 0 DEAARN COc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cn1 ZINC000008017647 181519189 /nfs/dbraw/zinc/51/91/89/181519189.db2.gz QVJIPUSSSZZRCC-UHFFFAOYSA-N 0 0 320.370 2.054 50 0 DEAARN CC(C)[C@@H](C)NC(=O)CSc1nnnn1-c1cccc(F)c1 ZINC000008133721 181529413 /nfs/dbraw/zinc/52/94/13/181529413.db2.gz GVZUCWZUGVAYGI-SNVBAGLBSA-N 0 0 323.397 2.054 50 0 DEAARN CC(=O)c1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000008401478 181555155 /nfs/dbraw/zinc/55/51/55/181555155.db2.gz OFOKSCQZXKGKKL-UHFFFAOYSA-N 0 0 307.313 2.117 50 0 DEAARN COc1ccc(-c2noc(COC(=O)c3cccnc3)n2)cc1 ZINC000008289811 181544271 /nfs/dbraw/zinc/54/42/71/181544271.db2.gz KYYJAGBSBSQKCT-UHFFFAOYSA-N 0 0 311.297 2.497 50 0 DEAARN CCCNC(=O)[C@@H](C)NC(=O)c1ccc2cc(OC)ccc2c1 ZINC000008750237 181583257 /nfs/dbraw/zinc/58/32/57/181583257.db2.gz FXQKYWSDNDYGOF-GFCCVEGCSA-N 0 0 314.385 2.493 50 0 DEAARN O=C(CN1CSCC1=O)Nc1ccc(Cl)cc1Cl ZINC000009419223 181619854 /nfs/dbraw/zinc/61/98/54/181619854.db2.gz MRKOFLGOJBGMQD-UHFFFAOYSA-N 0 0 305.186 2.465 50 0 DEAARN Cc1cc(C(=O)N[C@@H](C)c2cnc(-c3ccncc3)nc2C)[nH]n1 ZINC000012208748 181740665 /nfs/dbraw/zinc/74/06/65/181740665.db2.gz XOVPEBDHYXJYMP-LBPRGKRZSA-N 0 0 322.372 2.370 50 0 DEAARN c1nnnn1-c1cccc(OCc2ccc3nsnc3c2)c1 ZINC000012428853 181760880 /nfs/dbraw/zinc/76/08/80/181760880.db2.gz PNSIOTMOQHLABB-UHFFFAOYSA-N 0 0 310.342 2.246 50 0 DEAARN COC(=O)C1=C(C)O[C@@H](CSc2nnc3n2CCCCC3)C1 ZINC000271741206 209173345 /nfs/dbraw/zinc/17/33/45/209173345.db2.gz QTQPMNQMDHHLPP-LLVKDONJSA-N 0 0 323.418 2.333 50 0 DEAARN C[n+]1cc(-c2nc(=O)c3cc(C(C)(C)C)sc3[nH]2)ccc1[O-] ZINC000097083499 193683151 /nfs/dbraw/zinc/68/31/51/193683151.db2.gz VKUFCRXTYRXUTB-UHFFFAOYSA-N 0 0 315.398 2.265 50 0 DEAARN O=C(CNC(=O)Nc1ccccc1)NCc1ccccc1F ZINC000012975290 181816958 /nfs/dbraw/zinc/81/69/58/181816958.db2.gz UNRQRBQUBFDCOO-UHFFFAOYSA-N 0 0 301.321 2.264 50 0 DEAARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)N1CCCCC1 ZINC000013096197 181827837 /nfs/dbraw/zinc/82/78/37/181827837.db2.gz VGDDKJLZXWGSIK-UHFFFAOYSA-N 0 0 323.824 2.223 50 0 DEAARN CNC(=O)Cc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000013716782 181882595 /nfs/dbraw/zinc/88/25/95/181882595.db2.gz UBMISIGMRXXOBT-UHFFFAOYSA-N 0 0 312.369 2.165 50 0 DEAARN CCCNC(=O)[C@H](C)NC(=O)Cc1coc2cc(C)ccc12 ZINC000014117444 181927013 /nfs/dbraw/zinc/92/70/13/181927013.db2.gz WOVQTNIYRZIVQX-LBPRGKRZSA-N 0 0 302.374 2.315 50 0 DEAARN COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1O ZINC000015008903 181982657 /nfs/dbraw/zinc/98/26/57/181982657.db2.gz UXVZEABZHKWPDV-DHDCSXOGSA-N 0 0 324.361 2.171 50 0 DEAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)no1 ZINC000015390790 182000063 /nfs/dbraw/zinc/00/00/63/182000063.db2.gz NBRZUUIIHTWBEG-SNVBAGLBSA-N 0 0 314.301 2.439 50 0 DEAARN O=C(CCSc1ccccc1F)NCCOC(=O)C1CC1 ZINC000282811853 217267015 /nfs/dbraw/zinc/26/70/15/217267015.db2.gz BHWPFOHOCSTMRP-UHFFFAOYSA-N 0 0 311.378 2.377 50 0 DEAARN COc1ccc(OC)c(CNC(=O)[C@H](C)c2c(C)n[nH]c2C)c1 ZINC000015769258 182015762 /nfs/dbraw/zinc/01/57/62/182015762.db2.gz BMGGNPYPFUHWLG-SNVBAGLBSA-N 0 0 317.389 2.464 50 0 DEAARN C=CC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000016323442 182040180 /nfs/dbraw/zinc/04/01/80/182040180.db2.gz XHNNTIMGDUZEKJ-UHFFFAOYSA-N 0 0 301.390 2.116 50 0 DEAARN COc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 ZINC000016234279 182037870 /nfs/dbraw/zinc/03/78/70/182037870.db2.gz PXOXRWNKDMHSTO-UHFFFAOYSA-N 0 0 300.314 2.091 50 0 DEAARN Cc1ccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000016382276 182043021 /nfs/dbraw/zinc/04/30/21/182043021.db2.gz ZITXSCUMBCWXAG-UHFFFAOYSA-N 0 0 315.417 2.359 50 0 DEAARN O=C([O-])[C@H](c1ccc(O)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000095363358 304174122 /nfs/dbraw/zinc/17/41/22/304174122.db2.gz OKEUKHKPKYAPQQ-KRWDZBQOSA-N 0 0 318.417 2.468 50 0 DEAARN CCc1ccccc1OCCCSc1nc(N)cc(=O)[nH]1 ZINC000016527073 182048600 /nfs/dbraw/zinc/04/86/00/182048600.db2.gz XBQQXBYIEZFAFQ-UHFFFAOYSA-N 0 0 305.403 2.476 50 0 DEAARN O=C(Nc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 ZINC000016848188 182061658 /nfs/dbraw/zinc/06/16/58/182061658.db2.gz JVNOWEPGVXHCBQ-UHFFFAOYSA-N 0 0 324.315 2.078 50 0 DEAARN Cc1ccc(OCC(=O)Nc2nnc3n2CCCS3)cc1 ZINC000017043020 182070551 /nfs/dbraw/zinc/07/05/51/182070551.db2.gz MYWRGMZNESCIFE-UHFFFAOYSA-N 0 0 304.375 2.100 50 0 DEAARN COc1ccc(OC)c(C(=O)O[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000017005793 182067570 /nfs/dbraw/zinc/06/75/70/182067570.db2.gz 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320.368 2.027 50 0 DEAARN CN(C(=O)c1cccn1C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000071900339 401694635 /nfs/dbraw/zinc/69/46/35/401694635.db2.gz ZEFKMRYVSATOGM-OAHLLOKOSA-N 0 0 315.348 2.042 50 0 DEAARN c1ccc2nc(N3CCCC[C@@H]3CN3CCOCC3)cnc2c1 ZINC000071902737 401694807 /nfs/dbraw/zinc/69/48/07/401694807.db2.gz NRGOYMSNNYNCEX-OAHLLOKOSA-N 0 0 312.417 2.321 50 0 DEAARN CCOC(=O)C1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000000373812 401695588 /nfs/dbraw/zinc/69/55/88/401695588.db2.gz RQWVYKXBQIWIMR-UHFFFAOYSA-N 0 0 320.458 2.379 50 0 DEAARN Cc1cnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 ZINC000008013118 401746998 /nfs/dbraw/zinc/74/69/98/401746998.db2.gz CPBUYJWXNFSGGI-UHFFFAOYSA-N 0 0 314.370 2.259 50 0 DEAARN Cc1ccc(F)c(N2CCC[C@H](NC(=O)Cn3cccn3)C2)c1 ZINC000071910065 401696131 /nfs/dbraw/zinc/69/61/31/401696131.db2.gz NTCSPECPJOHETK-AWEZNQCLSA-N 0 0 316.380 2.116 50 0 DEAARN NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000000379550 401696435 /nfs/dbraw/zinc/69/64/35/401696435.db2.gz QHNOMHJCCRAUFO-UHFFFAOYSA-N 0 0 324.789 2.021 50 0 DEAARN Cc1cc(=O)oc2cc(OCC(=O)NCc3ccco3)ccc12 ZINC000000420321 401697092 /nfs/dbraw/zinc/69/70/92/401697092.db2.gz SQQFYBUDKSUYKD-UHFFFAOYSA-N 0 0 313.309 2.390 50 0 biogenic DEAARN CCOC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 ZINC000000415463 401697323 /nfs/dbraw/zinc/69/73/23/401697323.db2.gz DZEUOEQEZMMRGM-UHFFFAOYSA-N 0 0 324.358 2.409 50 0 DEAARN CC[C@@H](C)[C@H](CO)Nc1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000071920891 401697348 /nfs/dbraw/zinc/69/73/48/401697348.db2.gz XZAOWAAHOQQURV-APPZFPTMSA-N 0 0 317.315 2.270 50 0 DEAARN CCO[C@H]1C[C@@H](N(C)Cc2nnnn2C2CC2)C12CCCC2 ZINC000071920965 401697513 /nfs/dbraw/zinc/69/75/13/401697513.db2.gz FGNMOJOMRMPEFW-KGLIPLIRSA-N 0 0 305.426 2.178 50 0 DEAARN COc1cc(OC)c(NC(=O)N[C@H](C)[C@H](C)CO)cc1Cl ZINC000071921083 401697571 /nfs/dbraw/zinc/69/75/71/401697571.db2.gz JPRKNGVAYGXRTN-RKDXNWHRSA-N 0 0 316.785 2.496 50 0 DEAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc21 ZINC000000428687 401697689 /nfs/dbraw/zinc/69/76/89/401697689.db2.gz JZEMXVVNEIVBKH-GFCCVEGCSA-N 0 0 322.430 2.016 50 0 DEAARN O=C(CC1CCCCC1)OCn1nnc2ccccc2c1=O ZINC000000428850 401698210 /nfs/dbraw/zinc/69/82/10/401698210.db2.gz JGDYBGKZVWWMSL-UHFFFAOYSA-N 0 0 301.346 2.263 50 0 DEAARN COc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000071926414 401698396 /nfs/dbraw/zinc/69/83/96/401698396.db2.gz BRRMCSHCIPEMJW-HNNXBMFYSA-N 0 0 300.358 2.420 50 0 DEAARN CCCOc1cc(C)ccc1NC(=O)NCCN1CCOCC1 ZINC000071942314 401698451 /nfs/dbraw/zinc/69/84/51/401698451.db2.gz FDDVLXDYXHKOIK-UHFFFAOYSA-N 0 0 321.421 2.238 50 0 DEAARN Cn1cc(CNC(=O)COc2ccc(Cl)cc2Cl)cn1 ZINC000000474401 401699309 /nfs/dbraw/zinc/69/93/09/401699309.db2.gz FHWHYISZTHHTHA-UHFFFAOYSA-N 0 0 314.172 2.422 50 0 DEAARN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000000467306 401699333 /nfs/dbraw/zinc/69/93/33/401699333.db2.gz IHKPASBGIOPSIR-LBPRGKRZSA-N 0 0 314.341 2.441 50 0 DEAARN Cc1nn(C)cc1CNC(=O)c1cccc(Br)c1 ZINC000000484189 401699448 /nfs/dbraw/zinc/69/94/48/401699448.db2.gz CEOMXLRSFSEVCS-UHFFFAOYSA-N 0 0 308.179 2.421 50 0 DEAARN COC(=O)Cc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O ZINC000000488872 401699553 /nfs/dbraw/zinc/69/95/53/401699553.db2.gz TZOIQTSKYTZPQM-UHFFFAOYSA-N 0 0 318.325 2.093 50 0 biogenic DEAARN Nn1c(SCc2ccccc2F)nnc1-c1cccnc1 ZINC000000523605 401700075 /nfs/dbraw/zinc/70/00/75/401700075.db2.gz KMLCNRCAVFSSKX-UHFFFAOYSA-N 0 0 301.350 2.485 50 0 DEAARN Cn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O ZINC000000542864 401700540 /nfs/dbraw/zinc/70/05/40/401700540.db2.gz RFCWETFCHGYRBM-UHFFFAOYSA-N 0 0 300.745 2.402 50 0 DEAARN Cc1cccc2[nH]c3c(ncnc3N3CCC(C(N)=O)CC3)c21 ZINC000000542865 401700711 /nfs/dbraw/zinc/70/07/11/401700711.db2.gz QVZILWTVVKYVPX-UHFFFAOYSA-N 0 0 309.373 2.121 50 0 DEAARN C[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 ZINC000000544613 401700756 /nfs/dbraw/zinc/70/07/56/401700756.db2.gz VVAOCWGSSLOYEU-CHWSQXEVSA-N 0 0 309.373 2.429 50 0 DEAARN COc1ccc(N2C(=O)C[C@H](Cn3nc(C)cc3C)C2=O)cc1 ZINC000000552998 401701289 /nfs/dbraw/zinc/70/12/89/401701289.db2.gz LONJKNTYLIDGNH-CYBMUJFWSA-N 0 0 313.357 2.088 50 0 DEAARN CCOC(=O)N1CCN(C(=O)CSc2ccc(C)cc2)CC1 ZINC000000616584 401702091 /nfs/dbraw/zinc/70/20/91/401702091.db2.gz FKODBKCEBXTVSJ-UHFFFAOYSA-N 0 0 322.430 2.388 50 0 DEAARN COC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000914892 401703620 /nfs/dbraw/zinc/70/36/20/401703620.db2.gz GQZLTVQZNATFJH-RKDXNWHRSA-N 0 0 306.387 2.317 50 0 DEAARN Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000001068127 401703915 /nfs/dbraw/zinc/70/39/15/401703915.db2.gz GABUUVCNHRWWHB-UHFFFAOYSA-N 0 0 305.765 2.478 50 0 DEAARN O=C(c1sccc1C1CC1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000072269265 401705035 /nfs/dbraw/zinc/70/50/35/401705035.db2.gz BSXNUAKUFSCKEL-LSDHHAIUSA-N 0 0 320.458 2.297 50 0 DEAARN CC(=O)N1CCc2cc(-c3nc(-c4cnn(C)c4)no3)ccc21 ZINC000072274924 401705726 /nfs/dbraw/zinc/70/57/26/401705726.db2.gz UQATYFNKUXYUBE-UHFFFAOYSA-N 0 0 309.329 2.046 50 0 DEAARN Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)OC3CCCC3)C2)n1 ZINC000072283318 401706168 /nfs/dbraw/zinc/70/61/68/401706168.db2.gz VBSRHPCGMBSALH-IUODEOHRSA-N 0 0 320.437 2.406 50 0 DEAARN Cc1cccc(CC(=O)Nc2ncc(C(N)=O)cc2Cl)c1 ZINC000072286437 401706499 /nfs/dbraw/zinc/70/64/99/401706499.db2.gz YMUJUCMSXCFEAC-UHFFFAOYSA-N 0 0 303.749 2.324 50 0 DEAARN O=C(NCCOC[C@H]1CCCO1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000072286319 401706514 /nfs/dbraw/zinc/70/65/14/401706514.db2.gz FKBLKUMJSHMRME-VXGBXAGGSA-N 0 0 324.343 2.166 50 0 DEAARN CS(=O)(=O)c1cnc(-c2ccccc2)nc1N1CCCC1 ZINC000001402095 401706722 /nfs/dbraw/zinc/70/67/22/401706722.db2.gz KPDNUHUTXIARMI-UHFFFAOYSA-N 0 0 303.387 2.147 50 0 DEAARN O=C(Nc1ccc2c(c1)OCO2)C1(N2CCC2=O)CCCCC1 ZINC000001409856 401706991 /nfs/dbraw/zinc/70/69/91/401706991.db2.gz VUCTXYIDISKWIY-UHFFFAOYSA-N 0 0 316.357 2.289 50 0 DEAARN CC(C)NC(=O)[C@H](C)ONC(=O)Cc1ccc2ccccc2c1 ZINC000072291793 401707093 /nfs/dbraw/zinc/70/70/93/401707093.db2.gz NXZLWKSIALKDPX-ZDUSSCGKSA-N 0 0 314.385 2.343 50 0 DEAARN COCCn1ccc2cc(NC(=O)NC[C@@H](O)C(C)C)ccc21 ZINC000072294240 401707114 /nfs/dbraw/zinc/70/71/14/401707114.db2.gz WYMRMBWIVUPSOR-MRXNPFEDSA-N 0 0 319.405 2.426 50 0 DEAARN C[C@@H](CC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000072295030 401707210 /nfs/dbraw/zinc/70/72/10/401707210.db2.gz ZKXTVMQVOKPUCL-YVEFUNNKSA-N 0 0 319.380 2.077 50 0 DEAARN CCc1ccc(OCC(=O)N2N=C(C)C[C@@]2(O)C(F)F)cc1 ZINC000001459819 401707754 /nfs/dbraw/zinc/70/77/54/401707754.db2.gz NHJMDUVUWRDTJD-OAHLLOKOSA-N 0 0 312.316 2.190 50 0 DEAARN Cc1cc2c(cc1F)C(=O)NC1(CCN(C(=O)C3CC3)CC1)N2 ZINC000072302541 401708500 /nfs/dbraw/zinc/70/85/00/401708500.db2.gz LIZOXKZZDUXTSC-UHFFFAOYSA-N 0 0 317.364 2.018 50 0 DEAARN CCC[C@@]1(CO)CCCN(c2ncnc3c2c(C)nn3C)C1 ZINC000072470137 401709784 /nfs/dbraw/zinc/70/97/84/401709784.db2.gz PLCCFOOIXHHGFL-MRXNPFEDSA-N 0 0 303.410 2.051 50 0 DEAARN COCCNC(=O)COc1c(C)cc(Br)cc1C ZINC000001779969 401710638 /nfs/dbraw/zinc/71/06/38/401710638.db2.gz RRCIICXYGKVMAW-UHFFFAOYSA-N 0 0 316.195 2.207 50 0 DEAARN CCN1CCO[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000002215657 401712193 /nfs/dbraw/zinc/71/21/93/401712193.db2.gz DMINPVPJVGIONZ-HNNXBMFYSA-N 0 0 304.390 2.386 50 0 DEAARN CCOC(=O)[C@](NC(C)=O)(Nc1ccccc1C)C(F)(F)F ZINC000002274779 401712699 /nfs/dbraw/zinc/71/26/99/401712699.db2.gz KLEMMJZSETXMDX-ZDUSSCGKSA-N 0 0 318.295 2.365 50 0 DEAARN CC[C@@H](C)[C@H](NC(=O)NCCc1ccccc1F)C(=O)OC ZINC000002427198 401713607 /nfs/dbraw/zinc/71/36/07/401713607.db2.gz GNJPYUPBHNLUFK-RISCZKNCSA-N 0 0 310.369 2.255 50 0 DEAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1/C=C/c1ccccc1 ZINC000002489603 401714107 /nfs/dbraw/zinc/71/41/07/401714107.db2.gz AMECLYLJNKGTGH-LXKVQUBZSA-N 0 0 302.399 2.383 50 0 DEAARN Cc1cc(C(=O)NCCN2C(=S)N=NC2C2CC2)oc1C ZINC000126954066 401714483 /nfs/dbraw/zinc/71/44/83/401714483.db2.gz UPVGVXWFGCYNKG-UHFFFAOYSA-N 0 0 306.391 2.084 50 0 DEAARN O=C(c1ccco1)N1CCN(C(=S)NC2CCCCC2)CC1 ZINC000002561764 401714880 /nfs/dbraw/zinc/71/48/80/401714880.db2.gz YMNUQEYJCRZZMR-UHFFFAOYSA-N 0 0 321.446 2.245 50 0 DEAARN O=C(NC1=NCCS1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000002664415 401716407 /nfs/dbraw/zinc/71/64/07/401716407.db2.gz RGRHWRNLWGOCRF-CYBMUJFWSA-N 0 0 306.387 2.077 50 0 DEAARN C[C@@H]1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccccc1 ZINC000002644452 401716692 /nfs/dbraw/zinc/71/66/92/401716692.db2.gz CCGXEYHNENSIRR-CQSZACIVSA-N 0 0 323.396 2.464 50 0 DEAARN CCOc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCCCC2)cc1 ZINC000002698043 401717146 /nfs/dbraw/zinc/71/71/46/401717146.db2.gz VJQRSDDCSYECIV-HNNXBMFYSA-N 0 0 320.389 2.353 50 0 DEAARN CCCCOCCCNS(=O)(=O)c1ccc(OC)cc1 ZINC000002727682 401717164 /nfs/dbraw/zinc/71/71/64/401717164.db2.gz KYUYLAIZYBQESL-UHFFFAOYSA-N 0 0 301.408 2.180 50 0 DEAARN O=C(Cn1nc(C(F)F)cc1C(F)F)NN1CCCCC1 ZINC000002782792 401717974 /nfs/dbraw/zinc/71/79/74/401717974.db2.gz WCWRQFTWVDMHRL-UHFFFAOYSA-N 0 0 308.279 2.275 50 0 DEAARN C/C=C\COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000002775251 401718121 /nfs/dbraw/zinc/71/81/21/401718121.db2.gz LZJNLKPHZYACSY-FOSCPCJNSA-N 0 0 316.357 2.442 50 0 DEAARN Cc1c(Br)c(C(F)F)nn1CC(=O)n1cccn1 ZINC000002781122 401718132 /nfs/dbraw/zinc/71/81/32/401718132.db2.gz HLDSQSTYOOCFBV-UHFFFAOYSA-N 0 0 319.109 2.429 50 0 DEAARN CCn1ncc(CN(C)C(=O)c2nn(C)c(C)c2Cl)c1C ZINC000002778013 401718222 /nfs/dbraw/zinc/71/82/22/401718222.db2.gz PBHKXPQPWMHAPV-UHFFFAOYSA-N 0 0 309.801 2.179 50 0 DEAARN Cn1ncc2c3nc(-c4ccc(OC(F)F)cc4)nn3cnc21 ZINC000002800015 401718666 /nfs/dbraw/zinc/71/86/66/401718666.db2.gz YLXTVIKQTKLYBC-UHFFFAOYSA-N 0 0 316.271 2.279 50 0 DEAARN CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)N2NC=NC2=N1 ZINC000013125243 401797299 /nfs/dbraw/zinc/79/72/99/401797299.db2.gz PSTRAPBZZFQQOT-NSHDSACASA-N 0 0 324.171 2.012 50 0 DEAARN CSCC[C@H](O)C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000077353524 401811361 /nfs/dbraw/zinc/81/13/61/401811361.db2.gz HXZOWPLNCPFRDJ-NSHDSACASA-N 0 0 302.465 2.339 50 0 DEAARN Cc1c(C(=O)OCc2nc(-c3ccc(F)cc3)no2)cnn1C ZINC000013297624 401798171 /nfs/dbraw/zinc/79/81/71/401798171.db2.gz CVJFIGJKWFFDIV-UHFFFAOYSA-N 0 0 316.292 2.275 50 0 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Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)no1 ZINC000033257261 401889834 /nfs/dbraw/zinc/88/98/34/401889834.db2.gz GAQBVWZYXNSVJN-ZDUSSCGKSA-N 0 0 302.334 2.346 50 0 DEAARN O=C(COc1ccccc1)NCc1noc(C2CCCC2)n1 ZINC000033328298 401890236 /nfs/dbraw/zinc/89/02/36/401890236.db2.gz YUMXEMKIIGHFOO-UHFFFAOYSA-N 0 0 301.346 2.422 50 0 DEAARN C/C=C\Cn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000033926662 401892729 /nfs/dbraw/zinc/89/27/29/401892729.db2.gz MDGQSBKOEPAZHG-ALCCZGGFSA-N 0 0 322.434 2.282 50 0 DEAARN CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000034915963 401894414 /nfs/dbraw/zinc/89/44/14/401894414.db2.gz SHQQMCZFFUOMRB-OAHLLOKOSA-N 0 0 312.369 2.287 50 0 DEAARN CCCc1sc(C(=O)N2CCN(CCO)CC2)cc1CC ZINC000035107334 401895436 /nfs/dbraw/zinc/89/54/36/401895436.db2.gz DJAQUSSUFIISDE-UHFFFAOYSA-N 0 0 310.463 2.013 50 0 DEAARN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(OC)c1 ZINC000035214923 401897140 /nfs/dbraw/zinc/89/71/40/401897140.db2.gz PPJMAQJWJCRDHK-BXUZGUMPSA-N 0 0 322.430 2.125 50 0 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CCn1ncc(CNC(=O)c2cc(C)nc3onc(C)c32)c1C ZINC000036613698 401905873 /nfs/dbraw/zinc/90/58/73/401905873.db2.gz KCJZSAWKZQJETM-UHFFFAOYSA-N 0 0 313.361 2.294 50 0 DEAARN Cc1ccc(/C=C/CC(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1 ZINC000084768228 401910409 /nfs/dbraw/zinc/91/04/09/401910409.db2.gz NSCMPDPTKUCNMV-XGACYXMMSA-N 0 0 307.415 2.044 50 0 DEAARN CCOC(=O)[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000084791167 401910413 /nfs/dbraw/zinc/91/04/13/401910413.db2.gz CHTUEKMKJAYDBJ-VIFPVBQESA-N 0 0 319.810 2.126 50 0 DEAARN Cn1nc(CNC(=O)Cc2ccc(F)cc2)cc1-c1ccncc1 ZINC000085556194 401917342 /nfs/dbraw/zinc/91/73/42/401917342.db2.gz OFKQWSVCKTWWSJ-UHFFFAOYSA-N 0 0 324.359 2.480 50 0 DEAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccnc1 ZINC000037868071 401918299 /nfs/dbraw/zinc/91/82/99/401918299.db2.gz FAPLDKBACAYROJ-UHFFFAOYSA-N 0 0 309.325 2.097 50 0 DEAARN O=C(CCNc1ncccn1)N1CCc2c3ccccc3[nH]c2C1 ZINC000085879571 401919934 /nfs/dbraw/zinc/91/99/34/401919934.db2.gz FLELMGZZIACRBH-UHFFFAOYSA-N 0 0 321.384 2.345 50 0 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309.119 2.476 50 0 DEAARN O=CNc1ccc(C(=O)NC[C@H](O)c2ccccc2Cl)cc1 ZINC000089813265 401966063 /nfs/dbraw/zinc/96/60/63/401966063.db2.gz IMHZLKJZVICIHE-HNNXBMFYSA-N 0 0 318.760 2.372 50 0 DEAARN CC(C)CCNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000089821153 401966606 /nfs/dbraw/zinc/96/66/06/401966606.db2.gz NDWQWSRGJRCWJQ-AATRIKPKSA-N 0 0 316.405 2.481 50 0 DEAARN O=C(NCCc1nnc(-c2ccccc2)o1)[C@H](O)c1ccccc1 ZINC000089853070 401967759 /nfs/dbraw/zinc/96/77/59/401967759.db2.gz LKUFWNKIBFCZRR-MRXNPFEDSA-N 0 0 323.352 2.129 50 0 DEAARN O=C(CCCc1ccccn1)N[C@H]1COc2ccccc2C1=O ZINC000089857699 401969036 /nfs/dbraw/zinc/96/90/36/401969036.db2.gz NDROFIZNMJLURD-HNNXBMFYSA-N 0 0 310.353 2.164 50 0 DEAARN O=C(NCCCN1CCCCCC1=O)NCc1ccc(F)cc1 ZINC000048342166 401998285 /nfs/dbraw/zinc/99/82/85/401998285.db2.gz OVOJHBJHYDLSFB-UHFFFAOYSA-N 0 0 321.396 2.418 50 0 DEAARN C[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)[C@H]1CCCO1 ZINC000046728444 401972514 /nfs/dbraw/zinc/97/25/14/401972514.db2.gz QYVIGRPWWPNNMK-DZGCQCFKSA-N 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CC(=O)Nc1cccc2c1CCN([C@H](C)C(=O)N(C)C(C)C)C2 ZINC000096447036 402089405 /nfs/dbraw/zinc/08/94/05/402089405.db2.gz NNHGHMLMASCKJV-CYBMUJFWSA-N 0 0 317.433 2.258 50 0 DEAARN O=C(NC[C@@]1(O)CCSC1)c1csc(-c2ccccc2)n1 ZINC000096446900 402089454 /nfs/dbraw/zinc/08/94/54/402089454.db2.gz DUBWIKRAAMYXDT-HNNXBMFYSA-N 0 0 320.439 2.408 50 0 DEAARN C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1c(F)cccc1Cl ZINC000096449255 402089676 /nfs/dbraw/zinc/08/96/76/402089676.db2.gz JAQZKNKUEJCRAW-MRVPVSSYSA-N 0 0 317.773 2.252 50 0 DEAARN Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@@H]2CCCSC2)n1 ZINC000096452326 402090266 /nfs/dbraw/zinc/09/02/66/402090266.db2.gz YIKGVBQVZUVLAQ-BXUZGUMPSA-N 0 0 310.467 2.331 50 0 DEAARN CNC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000096456684 402091853 /nfs/dbraw/zinc/09/18/53/402091853.db2.gz DVCUEPPDQQFHTF-XURPKSDJSA-N 0 0 306.793 2.338 50 0 DEAARN Cc1cc(CNc2ncc(Cl)cn2)ccc1S(C)(=O)=O ZINC000096468179 402092329 /nfs/dbraw/zinc/09/23/29/402092329.db2.gz WGHXOWKIXNXITR-UHFFFAOYSA-N 0 0 311.794 2.454 50 0 DEAARN Cc1nn(C)c(C)c1OCC(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000096466773 402092511 /nfs/dbraw/zinc/09/25/11/402092511.db2.gz ZLPCSDMNUDPVDY-UHFFFAOYSA-N 0 0 317.393 2.435 50 0 DEAARN O=C(NCc1ccccc1OCCO)c1ccc(Cl)cn1 ZINC000096474063 402092999 /nfs/dbraw/zinc/09/29/99/402092999.db2.gz BVSPTNLFYHGPGK-UHFFFAOYSA-N 0 0 306.749 2.036 50 0 DEAARN O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1COCCO1 ZINC000096473380 402093041 /nfs/dbraw/zinc/09/30/41/402093041.db2.gz UMILTDSJTAJQII-SFHVURJKSA-N 0 0 311.381 2.428 50 0 DEAARN COc1cccc(Br)c1OC(=O)c1ccnn1C ZINC000096482587 402093887 /nfs/dbraw/zinc/09/38/87/402093887.db2.gz AYCGMQWPEVXRKF-UHFFFAOYSA-N 0 0 311.135 2.410 50 0 DEAARN CCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000057432539 402094393 /nfs/dbraw/zinc/09/43/93/402094393.db2.gz PSCMXTUIEPSVNJ-UHFFFAOYSA-N 0 0 302.827 2.202 50 0 DEAARN CONC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000096484394 402094627 /nfs/dbraw/zinc/09/46/27/402094627.db2.gz QQNFJUXJFAWURL-RYUDHWBXSA-N 0 0 301.749 2.085 50 0 DEAARN CC(C)(C)c1nc(CCNC(=O)N[C@]2(C)CCOC2)cs1 ZINC000096487507 402094996 /nfs/dbraw/zinc/09/49/96/402094996.db2.gz ZZSSYQIEXVSAHT-OAHLLOKOSA-N 0 0 311.451 2.461 50 0 DEAARN Cn1ccc(NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000096486934 402095136 /nfs/dbraw/zinc/09/51/36/402095136.db2.gz YTBLLJSGOIMOCU-LLVKDONJSA-N 0 0 300.145 2.399 50 0 DEAARN O=C(NCc1cccc(-n2cccn2)c1)C(F)(F)C1(O)CCC1 ZINC000096486769 402095273 /nfs/dbraw/zinc/09/52/73/402095273.db2.gz KROATDMDGJLWMO-UHFFFAOYSA-N 0 0 321.327 2.039 50 0 DEAARN Cc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)s1 ZINC000097294769 402121179 /nfs/dbraw/zinc/12/11/79/402121179.db2.gz CLGXYKFQLLBEFI-UHFFFAOYSA-N 0 0 322.434 2.217 50 0 DEAARN C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1cccc2cnccc21 ZINC000096492611 402096556 /nfs/dbraw/zinc/09/65/56/402096556.db2.gz RCVDELIXPJDSHG-GFCCVEGCSA-N 0 0 322.430 2.310 50 0 DEAARN Cc1cc(N[C@H](C)CN2CCCC2=O)nc(-c2ccncc2)n1 ZINC000057827742 402097324 /nfs/dbraw/zinc/09/73/24/402097324.db2.gz XHEVYNSJDQFDEB-CYBMUJFWSA-N 0 0 311.389 2.270 50 0 DEAARN Cc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2ccncc2)n1 ZINC000057827735 402097671 /nfs/dbraw/zinc/09/76/71/402097671.db2.gz XHEVYNSJDQFDEB-ZDUSSCGKSA-N 0 0 311.389 2.270 50 0 DEAARN O=C(CCc1nc(-c2cccnc2)no1)NCc1ccccc1 ZINC000064799519 402121381 /nfs/dbraw/zinc/12/13/81/402121381.db2.gz IFNKUGGTOSRWCW-UHFFFAOYSA-N 0 0 308.341 2.381 50 0 DEAARN CCc1ccccc1OCC(=O)Nc1cccnc1-n1cncn1 ZINC000058333126 402100257 /nfs/dbraw/zinc/10/02/57/402100257.db2.gz WSCAYSAGQODKDM-UHFFFAOYSA-N 0 0 323.356 2.242 50 0 DEAARN CC[C@@H](O)CN(CC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000058341404 402100507 /nfs/dbraw/zinc/10/05/07/402100507.db2.gz NPHFVCGVZAXGER-CQSZACIVSA-N 0 0 303.362 2.199 50 0 DEAARN CCC(=O)N1CCc2cc(C(=O)NO[C@@H]3CCCCO3)ccc21 ZINC000058370460 402100857 /nfs/dbraw/zinc/10/08/57/402100857.db2.gz ZRUQQWWDZDMGBT-MRXNPFEDSA-N 0 0 318.373 2.174 50 0 DEAARN CC1(C)OC[C@H](COC(=O)c2ccc(Br)o2)O1 ZINC000097035206 402100915 /nfs/dbraw/zinc/10/09/15/402100915.db2.gz IXWQJEWTNARCCZ-ZETCQYMHSA-N 0 0 305.124 2.350 50 0 DEAARN O=C1CCN(Cc2c(Cl)cccc2N2CCCC2)CCN1 ZINC000097033925 402100928 /nfs/dbraw/zinc/10/09/28/402100928.db2.gz GBMZMDVPTSIJRF-UHFFFAOYSA-N 0 0 307.825 2.262 50 0 DEAARN CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCN(CC)CC2)CCO1 ZINC000097049714 402102716 /nfs/dbraw/zinc/10/27/16/402102716.db2.gz PWFJLPGMBNDYKE-JKSUJKDBSA-N 0 0 311.470 2.317 50 0 DEAARN O=C(NCCOCC(F)(F)F)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097049179 402102965 /nfs/dbraw/zinc/10/29/65/402102965.db2.gz ZHDBAIXTWFASLJ-NSHDSACASA-N 0 0 320.315 2.225 50 0 DEAARN Cc1ccc(O)c(CNc2ccccc2CN2CCNC2=O)n1 ZINC000097051519 402103412 /nfs/dbraw/zinc/10/34/12/402103412.db2.gz DNAPBDJPZRECHO-UHFFFAOYSA-N 0 0 312.373 2.233 50 0 DEAARN CCOC(=O)c1cc(NC(=O)c2cc(F)c(C)cc2F)[nH]n1 ZINC000097080819 402104520 /nfs/dbraw/zinc/10/45/20/402104520.db2.gz JWOHPEFPKRDTCM-UHFFFAOYSA-N 0 0 309.272 2.425 50 0 DEAARN CCS(=O)(=O)CCN(C)Cc1cc(Cl)cc2c1OCC2 ZINC000097084429 402105642 /nfs/dbraw/zinc/10/56/42/402105642.db2.gz ISQKRGCZESQWHF-UHFFFAOYSA-N 0 0 317.838 2.141 50 0 DEAARN COc1ccnc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1 ZINC000097086126 402105814 /nfs/dbraw/zinc/10/58/14/402105814.db2.gz OBUIAHCQMUHDKE-MRXNPFEDSA-N 0 0 319.792 2.234 50 0 DEAARN C[C@H](C[S@](C)=O)NC(=O)NCc1csc(C(C)(C)C)n1 ZINC000097086215 402106038 /nfs/dbraw/zinc/10/60/38/402106038.db2.gz CTPZOZREGYLINC-GSDQLPOLSA-N 0 0 317.480 2.007 50 0 DEAARN CCOc1cc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)ncn1 ZINC000097096874 402106448 /nfs/dbraw/zinc/10/64/48/402106448.db2.gz MRRJZDAYBXERRI-CYBMUJFWSA-N 0 0 304.394 2.078 50 0 DEAARN O=C(Nc1ncccc1O)c1nc(Br)cs1 ZINC000097102728 402107009 /nfs/dbraw/zinc/10/70/09/402107009.db2.gz SRMAWFJROVUUGR-UHFFFAOYSA-N 0 0 300.137 2.259 50 0 DEAARN O=C(c1cccc2cn[nH]c21)N1CCc2ccccc2[C@@H]1CO ZINC000097097635 402107303 /nfs/dbraw/zinc/10/73/03/402107303.db2.gz DWSKBOBUWGEBLX-INIZCTEOSA-N 0 0 307.353 2.295 50 0 DEAARN O=C(Nc1cc(-c2ccccc2)on1)N[C@H]1CCc2ncnn2C1 ZINC000097104130 402107609 /nfs/dbraw/zinc/10/76/09/402107609.db2.gz GPFXWHTYHUNOOX-LBPRGKRZSA-N 0 0 324.344 2.070 50 0 DEAARN O=C(NCC1(c2ccncc2)CC1)c1ccccc1-n1ccnn1 ZINC000097107493 402108043 /nfs/dbraw/zinc/10/80/43/402108043.db2.gz UJFNNKRDHOPFEI-UHFFFAOYSA-N 0 0 319.368 2.124 50 0 DEAARN CC1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000097108156 402108057 /nfs/dbraw/zinc/10/80/57/402108057.db2.gz PZNYVGCALSKKJT-OAHLLOKOSA-N 0 0 316.405 2.019 50 0 DEAARN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1nnc(C(C)C)n1C ZINC000097114696 402109216 /nfs/dbraw/zinc/10/92/16/402109216.db2.gz SWSMDHNLYZADRJ-JTQLQIEISA-N 0 0 319.409 2.353 50 0 DEAARN CC(C)(C)c1n[nH]cc1CN1CCN(Cc2cccnc2)CC1 ZINC000097113600 402109253 /nfs/dbraw/zinc/10/92/53/402109253.db2.gz QMDUPUXSGVYBNX-UHFFFAOYSA-N 0 0 313.449 2.420 50 0 DEAARN Cn1cccc1[C@H]1COCCN1C(=O)CSc1ccncc1 ZINC000097144134 402111270 /nfs/dbraw/zinc/11/12/70/402111270.db2.gz VVEGJSROVZVWJD-OAHLLOKOSA-N 0 0 317.414 2.112 50 0 DEAARN Cn1ccnc1COC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000097147580 402112031 /nfs/dbraw/zinc/11/20/31/402112031.db2.gz NQXGPVPFDKOKEW-UHFFFAOYSA-N 0 0 300.293 2.306 50 0 DEAARN COc1ccc(-c2noc([C@H]3CCCCS3(=O)=O)n2)cc1 ZINC000097164376 402113258 /nfs/dbraw/zinc/11/32/58/402113258.db2.gz XZSVENHETVPZHA-GFCCVEGCSA-N 0 0 308.359 2.385 50 0 DEAARN Nc1nc(NCCO)cc(-c2ccc(F)cc2C(F)(F)F)n1 ZINC000097346682 402122167 /nfs/dbraw/zinc/12/21/67/402122167.db2.gz RLMGQNNBDVGGDK-UHFFFAOYSA-N 0 0 316.258 2.288 50 0 DEAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@H](C)O ZINC000097178321 402114485 /nfs/dbraw/zinc/11/44/85/402114485.db2.gz RSMDCFYNZDYIAT-LBPRGKRZSA-N 0 0 324.384 2.229 50 0 DEAARN Cc1cn2nc(N3CC[C@H](CNc4ccccn4)C3)sc2n1 ZINC000097200883 402115837 /nfs/dbraw/zinc/11/58/37/402115837.db2.gz YXTGKOSZQFSBSN-GFCCVEGCSA-N 0 0 314.418 2.433 50 0 DEAARN Cc1nc2n(c1C)CCN([C@@H](C)c1nnnn1-c1ccccc1)C2 ZINC000097201707 402116746 /nfs/dbraw/zinc/11/67/46/402116746.db2.gz SMBDSIVUCQVQED-AWEZNQCLSA-N 0 0 323.404 2.052 50 0 DEAARN O=C(N[C@H]1CCCNC1=O)c1ccccc1OCc1ccccc1 ZINC000064092382 402117838 /nfs/dbraw/zinc/11/78/38/402117838.db2.gz PWBGECHRCRQMEZ-INIZCTEOSA-N 0 0 324.380 2.274 50 0 DEAARN Cc1nc(C2CCN(C(=O)c3ccc(C)c(O)c3)CC2)no1 ZINC000097235337 402119095 /nfs/dbraw/zinc/11/90/95/402119095.db2.gz KLSFLOVXRWHILO-UHFFFAOYSA-N 0 0 301.346 2.412 50 0 DEAARN CCn1nc(C2CCOCC2)nc1CCN1CCCCCC1=O ZINC000096137012 402061685 /nfs/dbraw/zinc/06/16/85/402061685.db2.gz KCRAWCQBNBWMMF-UHFFFAOYSA-N 0 0 320.437 2.137 50 0 DEAARN COc1cccc([C@H]2CCCN2C(=O)CCCn2cncn2)c1 ZINC000054151534 402063832 /nfs/dbraw/zinc/06/38/32/402063832.db2.gz JRORHTRQWHIHSQ-MRXNPFEDSA-N 0 0 314.389 2.431 50 0 DEAARN COc1cc(OC)c(-c2nc([C@@H]3CCOC3)no2)cc1OC ZINC000096162874 402064158 /nfs/dbraw/zinc/06/41/58/402064158.db2.gz GOGPJPVVCHWPPW-SECBINFHSA-N 0 0 306.318 2.266 50 0 DEAARN O=C(NCCSc1c[nH]nn1)Nc1ccc2c(c1)CCC2 ZINC000096166078 402064319 /nfs/dbraw/zinc/06/43/19/402064319.db2.gz XLBJSEHFXLKWLO-UHFFFAOYSA-N 0 0 303.391 2.207 50 0 DEAARN Cc1ccc([C@@H]2[C@H](C(=O)NCc3cccnc3)CC(=O)N2C)cc1 ZINC000096181337 402064521 /nfs/dbraw/zinc/06/45/21/402064521.db2.gz ZAGMLLMKSSMJJD-SJLPKXTDSA-N 0 0 323.396 2.226 50 0 DEAARN CCN1CCN(C(=O)CCn2ncc3ccc(Cl)cc32)CC1 ZINC000096181985 402064766 /nfs/dbraw/zinc/06/47/66/402064766.db2.gz DNCNAHKMFOURPV-UHFFFAOYSA-N 0 0 320.824 2.244 50 0 DEAARN O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccccc1 ZINC000054253900 402064987 /nfs/dbraw/zinc/06/49/87/402064987.db2.gz JGYWDDHBARIPTP-QGZVFWFLSA-N 0 0 324.380 2.443 50 0 DEAARN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCNC(=O)CC1 ZINC000054259233 402065236 /nfs/dbraw/zinc/06/52/36/402065236.db2.gz IUHSADLJDCVKDO-SFHVURJKSA-N 0 0 323.396 2.188 50 0 DEAARN CC1(C)CC(=O)N(CC(=O)NCc2cccnc2)c2ccccc21 ZINC000096183214 402065523 /nfs/dbraw/zinc/06/55/23/402065523.db2.gz BULKOYILBVUSTM-UHFFFAOYSA-N 0 0 323.396 2.412 50 0 DEAARN C[C@@]1(C(=O)NCc2cccnc2)CC(c2ccccc2F)=NO1 ZINC000096192674 402066790 /nfs/dbraw/zinc/06/67/90/402066790.db2.gz GGTDGTACVFSTAV-KRWDZBQOSA-N 0 0 313.332 2.420 50 0 DEAARN C[C@]1(C(=O)NC[C@@H]2CCCO2)CC(c2ccccc2F)=NO1 ZINC000096192669 402066876 /nfs/dbraw/zinc/06/68/76/402066876.db2.gz FFDSHNARILGTPM-MEDUHNTESA-N 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C[C@@H]1c2ccc(F)cc2CCN1C(=O)CN1CCCOC1=O ZINC000084605827 192445641 /nfs/dbraw/zinc/44/56/41/192445641.db2.gz OYGMUKRWCGXBBG-LLVKDONJSA-N 0 0 306.337 2.114 50 0 DEAARN Cc1cc(C)cc(-n2cc(C(=O)N3CCSCC3)nn2)c1 ZINC000071765025 191027118 /nfs/dbraw/zinc/02/71/18/191027118.db2.gz YNYZZSGEJCOGAJ-UHFFFAOYSA-N 0 0 302.403 2.073 50 0 DEAARN O=C1c2ccccc2C(=O)N1CC1(c2ccccc2)OCCO1 ZINC000071767449 191028921 /nfs/dbraw/zinc/02/89/21/191028921.db2.gz UCQOZLKUEWAKAA-UHFFFAOYSA-N 0 0 309.321 2.182 50 0 DEAARN Nn1c(=O)c2ccc(Cl)cc2nc1SCc1cccnc1 ZINC000071768844 191029266 /nfs/dbraw/zinc/02/92/66/191029266.db2.gz UYOVSAXYMJCPDO-UHFFFAOYSA-N 0 0 318.789 2.451 50 0 DEAARN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCNC2=O)cc1 ZINC000072115565 191037369 /nfs/dbraw/zinc/03/73/69/191037369.db2.gz OZIAYVMSYWMZDZ-UHFFFAOYSA-N 0 0 323.352 2.413 50 0 DEAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)C1(O)CCC1 ZINC000133830462 186013061 /nfs/dbraw/zinc/01/30/61/186013061.db2.gz DRGZXHJKGLTTAT-ZDUSSCGKSA-N 0 0 301.346 2.268 50 0 DEAARN Nc1ncccc1C[N@@H+]1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072134716 191045997 /nfs/dbraw/zinc/04/59/97/191045997.db2.gz XZJGOQLIQSGGTQ-CQSZACIVSA-N 0 0 311.385 2.427 50 0 DEAARN Cc1c[nH]c(C(=O)N2CCC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000072157406 191060219 /nfs/dbraw/zinc/06/02/19/191060219.db2.gz YSGKFHLIMYREDQ-GOSISDBHSA-N 0 0 309.369 2.449 50 0 DEAARN CC(C)Cc1cc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)[nH]n1 ZINC000072164785 191065358 /nfs/dbraw/zinc/06/53/58/191065358.db2.gz GFJJUEHPWRJWFL-LLVKDONJSA-N 0 0 305.300 2.012 50 0 DEAARN Cc1nc2c(cnn2C)c(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000072171289 191070045 /nfs/dbraw/zinc/07/00/45/191070045.db2.gz QGFUFRDUFDVRCB-UHFFFAOYSA-N 0 0 313.409 2.329 50 0 DEAARN COc1c([C@H]2CCCN2C(=O)c2cc(C)on2)c(C)nn1C ZINC000072234265 191078945 /nfs/dbraw/zinc/07/89/45/191078945.db2.gz FHOTYNYAQSLFOK-GFCCVEGCSA-N 0 0 304.350 2.011 50 0 DEAARN Cc1cc(C(=O)NCc2cccnc2)nc(N2CCCCC2)n1 ZINC000072239826 191082782 /nfs/dbraw/zinc/08/27/82/191082782.db2.gz NTLDPWRMNAWLCP-UHFFFAOYSA-N 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183281900 /nfs/dbraw/zinc/28/19/00/183281900.db2.gz MLUSOEVMWIZEQS-WFASDCNBSA-N 0 0 301.415 2.413 50 0 DEAARN C=CC(=O)OCCOCCCCCCOCCOC(=O)C=C ZINC000043277618 183350273 /nfs/dbraw/zinc/35/02/73/183350273.db2.gz GIMNDOUZTMKUHI-UHFFFAOYSA-N 0 0 314.378 2.038 50 0 DEAARN O=C(NC[C@@H]1CCCO1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000043530658 183370187 /nfs/dbraw/zinc/37/01/87/183370187.db2.gz FWVNNDDDFMWVJC-NSHDSACASA-N 0 0 321.768 2.221 50 0 DEAARN CCn1cc(NC(=O)NCc2ccnc(N3CCCC3)c2)cn1 ZINC000043645417 183377142 /nfs/dbraw/zinc/37/71/42/183377142.db2.gz ICIOJZJVOKUOLP-UHFFFAOYSA-N 0 0 314.393 2.220 50 0 DEAARN CN1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)CC1=O ZINC000044370294 183406587 /nfs/dbraw/zinc/40/65/87/183406587.db2.gz XVJLJLIIFSTABA-JKSUJKDBSA-N 0 0 300.402 2.089 50 0 DEAARN COc1ccc(S(=O)(=O)Cc2noc(C(C)(C)C)n2)cc1 ZINC000044947799 183464653 /nfs/dbraw/zinc/46/46/53/183464653.db2.gz VIXAQDWXKRZMKL-UHFFFAOYSA-N 0 0 310.375 2.350 50 0 DEAARN COC(=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 ZINC000044866542 183443837 /nfs/dbraw/zinc/44/38/37/183443837.db2.gz NJDUEWRJFFGMHJ-UHFFFAOYSA-N 0 0 301.317 2.471 50 0 DEAARN Cn1nc(C(=O)N[C@@H]2CCc3ccccc32)c2ccccc2c1=O ZINC000044890824 183448279 /nfs/dbraw/zinc/44/82/79/183448279.db2.gz AYKLEVLCGJJDAI-MRXNPFEDSA-N 0 0 319.364 2.351 50 0 DEAARN Cn1ccnc1[C@H](NC(=O)Nc1ccccn1)C1CCOCC1 ZINC000284405636 218014201 /nfs/dbraw/zinc/01/42/01/218014201.db2.gz BMMHNOKHXICDLE-CQSZACIVSA-N 0 0 315.377 2.105 50 0 DEAARN COCCCNC(=O)c1cnc(SC)n1-c1ccccc1 ZINC000045652527 183521995 /nfs/dbraw/zinc/52/19/95/183521995.db2.gz DWISWPYIGXUTIZ-UHFFFAOYSA-N 0 0 305.403 2.361 50 0 DEAARN CCCOc1ccc(CNC(=O)N[C@@H](C)c2nncn2C)cc1 ZINC000045879801 183534075 /nfs/dbraw/zinc/53/40/75/183534075.db2.gz UHZUTVDEFBNDNB-LBPRGKRZSA-N 0 0 317.393 2.164 50 0 DEAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)NC[C@H]2CCCO2)c1C ZINC000046045969 183545987 /nfs/dbraw/zinc/54/59/87/183545987.db2.gz HKOUNAZJTUWVAY-CYBMUJFWSA-N 0 0 322.405 2.036 50 0 DEAARN Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccc2c(c1)OCO2 ZINC000046062585 183547580 /nfs/dbraw/zinc/54/75/80/183547580.db2.gz IQWIYTZRAXKVRI-LBPRGKRZSA-N 0 0 314.345 2.348 50 0 DEAARN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(CCc2ccccn2)C1 ZINC000284816813 218189686 /nfs/dbraw/zinc/18/96/86/218189686.db2.gz LKPSPBUFMPUUCB-CABCVRRESA-N 0 0 313.405 2.082 50 0 DEAARN CS(=O)(=O)c1cc(-c2noc(C[C@@H]3C=CCC3)n2)ccn1 ZINC000273873753 211132929 /nfs/dbraw/zinc/13/29/29/211132929.db2.gz NZLRYOXWLRRGGT-SNVBAGLBSA-N 0 0 305.359 2.044 50 0 DEAARN CCCOc1ccc(NC(=O)NCCNC(C)=O)cc1Cl ZINC000048123379 183622086 /nfs/dbraw/zinc/62/20/86/183622086.db2.gz JKMIMFPUSOIFDU-UHFFFAOYSA-N 0 0 313.785 2.386 50 0 DEAARN COC(=O)c1ccc(OCC(=O)N[C@H](C)C2CC2)c(Cl)c1 ZINC000048326144 183644315 /nfs/dbraw/zinc/64/43/15/183644315.db2.gz ZFDNFYDDRXGHJS-SECBINFHSA-N 0 0 311.765 2.420 50 0 DEAARN Cc1ccc(S(=O)(=O)N(Cc2nccn2C)C2CC2)cc1F ZINC000048355407 183650117 /nfs/dbraw/zinc/65/01/17/183650117.db2.gz SMKUJUIFCZZBMT-UHFFFAOYSA-N 0 0 323.393 2.221 50 0 DEAARN Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccsc3)C2)n1 ZINC000285175372 218319524 /nfs/dbraw/zinc/31/95/24/218319524.db2.gz MOFKYFXDQHXLES-SNVBAGLBSA-N 0 0 313.404 2.008 50 0 DEAARN COC(=O)C[C@@H](NC(=O)CCn1cccn1)c1ccc(C)cc1 ZINC000048735151 183683215 /nfs/dbraw/zinc/68/32/15/183683215.db2.gz GKVAXLZYYXLXDT-OAHLLOKOSA-N 0 0 315.373 2.002 50 0 DEAARN C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCc3ccco3)cc2C1 ZINC000049551647 183740783 /nfs/dbraw/zinc/74/07/83/183740783.db2.gz VEZPBMVBKYMVDI-NSHDSACASA-N 0 0 300.358 2.065 50 0 DEAARN COc1c(C)cnc(CNC(=O)COc2ccccc2)c1C ZINC000050449364 183786839 /nfs/dbraw/zinc/78/68/39/183786839.db2.gz RWBCQUAEKBNGFZ-UHFFFAOYSA-N 0 0 300.358 2.402 50 0 DEAARN C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000051983892 183844281 /nfs/dbraw/zinc/84/42/81/183844281.db2.gz JRPUIUQUGVUJRL-ZWNOBZJWSA-N 0 0 324.783 2.420 50 0 DEAARN Cc1cn2nc(NC[C@@H]3CCN(CC(F)(F)F)C3)sc2n1 ZINC000052412877 183859917 /nfs/dbraw/zinc/85/99/17/183859917.db2.gz DZUIKKBSTHKTPD-VIFPVBQESA-N 0 0 319.356 2.395 50 0 DEAARN CS[C@@H]1CCC[C@H]1N(C)S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000110656066 194346850 /nfs/dbraw/zinc/34/68/50/194346850.db2.gz MATHNSAHKSUMOM-GHMZBOCLSA-N 0 0 317.480 2.438 50 0 DEAARN CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H](O)C2)cc1 ZINC000054529419 183943857 /nfs/dbraw/zinc/94/38/57/183943857.db2.gz NXOJHNTVQIBMPT-AWEZNQCLSA-N 0 0 321.377 2.268 50 0 DEAARN Cc1cc(NC(=O)CNc2ccc(-n3cccn3)c(F)c2)no1 ZINC000054391655 183938481 /nfs/dbraw/zinc/93/84/81/183938481.db2.gz IXSMIXNHNMDWLQ-UHFFFAOYSA-N 0 0 315.308 2.358 50 0 DEAARN COc1ccc2c(c1)CCN(C(=O)Nc1nc(C)ns1)C2 ZINC000055042228 183958971 /nfs/dbraw/zinc/95/89/71/183958971.db2.gz CLJDGBLEKUIVOD-UHFFFAOYSA-N 0 0 304.375 2.445 50 0 DEAARN Cc1ccc(S(=O)(=O)N([C@H](C)C(C)C)C2CC2)cc1C(N)=O ZINC000056055692 184003929 /nfs/dbraw/zinc/00/39/29/184003929.db2.gz AIEGHVBIAZAIHK-GFCCVEGCSA-N 0 0 324.446 2.292 50 0 DEAARN CCc1ccc([C@@H](C)NC(=O)CCSc2nnnn2C)cc1 ZINC000056129727 184005355 /nfs/dbraw/zinc/00/53/55/184005355.db2.gz ZLEWNSREBSBZIZ-LLVKDONJSA-N 0 0 319.434 2.132 50 0 DEAARN Cc1noc([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)n1 ZINC000056131259 184005639 /nfs/dbraw/zinc/00/56/39/184005639.db2.gz METUFZXVLIGPJI-LLVKDONJSA-N 0 0 316.361 2.265 50 0 DEAARN O=C(CCn1cncn1)Nc1nc2c(s1)CCCCCC2 ZINC000056237310 184007718 /nfs/dbraw/zinc/00/77/18/184007718.db2.gz JFBBRDXVKLBWFJ-UHFFFAOYSA-N 0 0 305.407 2.422 50 0 DEAARN CCCCOc1ccccc1NC(=O)NCc1nncn1C ZINC000056750300 184018985 /nfs/dbraw/zinc/01/89/85/184018985.db2.gz SJBRTJRLKDMAGP-UHFFFAOYSA-N 0 0 303.366 2.316 50 0 DEAARN CCN1C[C@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1=O ZINC000056996817 184023542 /nfs/dbraw/zinc/02/35/42/184023542.db2.gz ZXAWQMSNWJBJCY-ZWNOBZJWSA-N 0 0 322.792 2.148 50 0 DEAARN Cc1nn(C)c2c1nc(C1CC1)nc2NCCCn1ccnc1 ZINC000057356012 184035589 /nfs/dbraw/zinc/03/55/89/184035589.db2.gz ICSQJZLYEAXLNS-UHFFFAOYSA-N 0 0 311.393 2.248 50 0 DEAARN Cc1cccc(OC[C@@H](O)CNC(=O)Cc2ccccc2C)c1 ZINC000057438921 184038451 /nfs/dbraw/zinc/03/84/51/184038451.db2.gz PQPDPYGWNXUUOT-KRWDZBQOSA-N 0 0 313.397 2.402 50 0 DEAARN CCCOc1cccc(C(=O)NC2CCN(C(=O)OC)CC2)c1 ZINC000057452559 184038987 /nfs/dbraw/zinc/03/89/87/184038987.db2.gz OMJBHJZJWJDPAP-UHFFFAOYSA-N 0 0 320.389 2.436 50 0 DEAARN CSc1nc2ccsc2c(=O)n1CC(=O)N1CCCCC1 ZINC000057505121 184040214 /nfs/dbraw/zinc/04/02/14/184040214.db2.gz BVYBNXYTQODSJD-UHFFFAOYSA-N 0 0 323.443 2.192 50 0 DEAARN CC[C@H](C)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC ZINC000057521766 184040973 /nfs/dbraw/zinc/04/09/73/184040973.db2.gz CLODCTWKJOMRGQ-VIFPVBQESA-N 0 0 322.434 2.060 50 0 DEAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC(C(N)=O)CC1 ZINC000057938054 184063158 /nfs/dbraw/zinc/06/31/58/184063158.db2.gz FBXAURVYAMWBAW-LBPRGKRZSA-N 0 0 313.401 2.245 50 0 DEAARN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000057974553 184063918 /nfs/dbraw/zinc/06/39/18/184063918.db2.gz PQKSOBBFJRNPPZ-JTQLQIEISA-N 0 0 320.267 2.059 50 0 DEAARN CN(C)C(=O)C[C@@H](NC(=O)Nc1ccncc1)c1ccccc1 ZINC000058008367 184066605 /nfs/dbraw/zinc/06/66/05/184066605.db2.gz OYZOOYTXBBCBMF-OAHLLOKOSA-N 0 0 312.373 2.423 50 0 DEAARN CC(C)c1ccccc1OC[C@@H](O)CSc1nncn1C ZINC000058013321 184066960 /nfs/dbraw/zinc/06/69/60/184066960.db2.gz AQRGQFMTRZZORK-GFCCVEGCSA-N 0 0 307.419 2.471 50 0 DEAARN C[C@@H](OC(=O)c1cc(N)ccc1Cl)C(=O)NCc1ccco1 ZINC000058014145 184067486 /nfs/dbraw/zinc/06/74/86/184067486.db2.gz QFECHNXUVMXBIF-SECBINFHSA-N 0 0 322.748 2.377 50 0 DEAARN CCNC(=O)COc1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000058014247 184067517 /nfs/dbraw/zinc/06/75/17/184067517.db2.gz UVEOHECRWZVYKG-UHFFFAOYSA-N 0 0 320.267 2.312 50 0 DEAARN C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000058166108 184083136 /nfs/dbraw/zinc/08/31/36/184083136.db2.gz WCFLQIJENTWFEK-SMDDNHRTSA-N 0 0 313.357 2.442 50 0 DEAARN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC(C)(C)C ZINC000058178376 184084786 /nfs/dbraw/zinc/08/47/86/184084786.db2.gz VUWKYPPVNPFSMR-UHFFFAOYSA-N 0 0 310.419 2.199 50 0 DEAARN CCN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CC(=O)NC1=O ZINC000058186484 184085866 /nfs/dbraw/zinc/08/58/66/184085866.db2.gz GZHATOUHMMHPAP-NSHDSACASA-N 0 0 312.728 2.126 50 0 DEAARN O=c1oc(-c2ccco2)nn1Cc1ccn(-c2ccccc2)n1 ZINC000058185178 184086138 /nfs/dbraw/zinc/08/61/38/184086138.db2.gz WSLPXMDBFYYKQM-UHFFFAOYSA-N 0 0 308.297 2.330 50 0 DEAARN Cc1noc(CCNC(=O)Cc2c(C)[nH]c3ccc(C)cc32)n1 ZINC000058197787 184087049 /nfs/dbraw/zinc/08/70/49/184087049.db2.gz JTDPWSZROKRVDQ-UHFFFAOYSA-N 0 0 312.373 2.378 50 0 DEAARN Cc1n[nH]cc1CCCNc1nc2sccc2c(=O)n1C ZINC000058201517 184087271 /nfs/dbraw/zinc/08/72/71/184087271.db2.gz XDOVVAYUYUWLHP-UHFFFAOYSA-N 0 0 303.391 2.071 50 0 DEAARN CC(=O)c1c[nH]c(C(=O)Nc2ccn(Cc3cccnc3)n2)c1 ZINC000058231640 184092240 /nfs/dbraw/zinc/09/22/40/184092240.db2.gz RSEHDIDIDDUUSO-UHFFFAOYSA-N 0 0 309.329 2.109 50 0 DEAARN OCCn1ncc2c1CCC[C@@H]2Nc1ncnc2sccc21 ZINC000058130460 184079041 /nfs/dbraw/zinc/07/90/41/184079041.db2.gz YDAHPPRHWIAESI-LBPRGKRZSA-N 0 0 315.402 2.370 50 0 DEAARN Cc1cc(NCc2nc(-c3ccccc3)c[nH]2)n2ncnc2n1 ZINC000058356882 184108173 /nfs/dbraw/zinc/10/81/73/184108173.db2.gz ZVFOXXHJQRPRHH-UHFFFAOYSA-N 0 0 305.345 2.435 50 0 DEAARN CCOC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2F)on1 ZINC000058364387 184109352 /nfs/dbraw/zinc/10/93/52/184109352.db2.gz CMEFFCOCWBCOJM-SECBINFHSA-N 0 0 306.293 2.162 50 0 DEAARN CN(Cc1nnc2ccccn21)C(=O)Cc1c[nH]c2ccccc12 ZINC000058367677 184109482 /nfs/dbraw/zinc/10/94/82/184109482.db2.gz LCZLEOMHQDSONV-UHFFFAOYSA-N 0 0 319.368 2.412 50 0 DEAARN CC(C)NC(=O)[C@@H](C)Sc1nc2ccc(F)cc2c(=O)[nH]1 ZINC000058278495 184098214 /nfs/dbraw/zinc/09/82/14/184098214.db2.gz SIOAXFPRTGHIFW-MRVPVSSYSA-N 0 0 309.366 2.480 50 0 DEAARN COc1ccc([C@@H]2CCN(CC(=O)NCc3ccco3)C2)cc1 ZINC000058281590 184099126 /nfs/dbraw/zinc/09/91/26/184099126.db2.gz GYOOZEOTURKVKA-OAHLLOKOSA-N 0 0 314.385 2.394 50 0 DEAARN CCCS(=O)(=O)NCc1ccc(OC)c(Br)c1 ZINC000058290826 184100882 /nfs/dbraw/zinc/10/08/82/184100882.db2.gz APJXBXHMHHYJAL-UHFFFAOYSA-N 0 0 322.224 2.287 50 0 DEAARN O=C(c1ccc[nH]c1=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000058293695 184101771 /nfs/dbraw/zinc/10/17/71/184101771.db2.gz DBPANQKRTSVJCY-QGZVFWFLSA-N 0 0 319.364 2.422 50 0 DEAARN O=C(NCc1ccc(OCC2CC2)nc1)[C@@H]1Cc2ccccc2O1 ZINC000058322878 184104489 /nfs/dbraw/zinc/10/44/89/184104489.db2.gz HLRZFHYZNSUPFB-KRWDZBQOSA-N 0 0 324.380 2.490 50 0 DEAARN CN(C)C(=O)c1cccc(Cn2c(=O)onc2-c2ccccc2)c1 ZINC000058327334 184105669 /nfs/dbraw/zinc/10/56/69/184105669.db2.gz YUTZZRMTHBHTPQ-UHFFFAOYSA-N 0 0 323.352 2.253 50 0 DEAARN Cc1noc(Cl)c1CC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000058392978 184111822 /nfs/dbraw/zinc/11/18/22/184111822.db2.gz SYDGMTGBIXSZKG-UHFFFAOYSA-N 0 0 317.736 2.398 50 0 DEAARN CC(=O)N[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000058406337 184113590 /nfs/dbraw/zinc/11/35/90/184113590.db2.gz FXSOSHSHKVADHD-RKDXNWHRSA-N 0 0 313.195 2.151 50 0 DEAARN CCOCCO[C@H](C)C(=O)Nc1n[nH]c(-c2ccncc2)c1C ZINC000058420350 184115899 /nfs/dbraw/zinc/11/58/99/184115899.db2.gz BPLNOPZTOYAAGU-GFCCVEGCSA-N 0 0 318.377 2.160 50 0 DEAARN CC(C)Oc1ccccc1CNC(=O)CCNc1ncccn1 ZINC000058440654 184118749 /nfs/dbraw/zinc/11/87/49/184118749.db2.gz MPJJWYVGYDJDGI-UHFFFAOYSA-N 0 0 314.389 2.382 50 0 DEAARN CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000060293252 184146043 /nfs/dbraw/zinc/14/60/43/184146043.db2.gz SYLWINKZZXEGQS-CYBMUJFWSA-N 0 0 319.357 2.016 50 0 DEAARN Cc1ccc(N(C)C(=O)Cc2ccc(-n3cnnn3)cc2)cc1 ZINC000060352238 184146806 /nfs/dbraw/zinc/14/68/06/184146806.db2.gz FNRIGFXTPJAHGI-UHFFFAOYSA-N 0 0 307.357 2.176 50 0 DEAARN O=C(COC(=O)C1(O)CCCC1)N[C@H](c1ccccc1)C1CC1 ZINC000061248902 184166773 /nfs/dbraw/zinc/16/67/73/184166773.db2.gz TVQSYBOWESBQFU-MRXNPFEDSA-N 0 0 317.385 2.102 50 0 DEAARN CCNC(=O)c1cccc(C)c1OCc1ccc(C(N)=O)cc1 ZINC000060565046 184152422 /nfs/dbraw/zinc/15/24/22/184152422.db2.gz IRAHZGXDNNQJMB-UHFFFAOYSA-N 0 0 312.369 2.423 50 0 DEAARN O=C(c1ccco1)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000062689393 184247430 /nfs/dbraw/zinc/24/74/30/184247430.db2.gz FHYXQTZHKCPWKN-CYBMUJFWSA-N 0 0 304.733 2.246 50 0 DEAARN CC(=O)c1cccc(O[C@H](C)C(=O)NCC[C@@H]2CCCO2)c1 ZINC000063241789 184279862 /nfs/dbraw/zinc/27/98/62/184279862.db2.gz FMVFUFPRTVPROX-HIFRSBDPSA-N 0 0 305.374 2.342 50 0 DEAARN Cc1ncc(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)s1 ZINC000063474720 184282733 /nfs/dbraw/zinc/28/27/33/184282733.db2.gz FMTMOEAHHNJAMC-UHFFFAOYSA-N 0 0 321.377 2.059 50 0 DEAARN Cn1c(CCNC(=O)c2ccc(F)c(F)c2)nc2cccnc21 ZINC000065154123 184312828 /nfs/dbraw/zinc/31/28/28/184312828.db2.gz JGQAFRNNINURBS-UHFFFAOYSA-N 0 0 316.311 2.219 50 0 DEAARN Cc1ccccc1CNC(=O)[C@@H]1c2ccccc2CC(=O)N1C ZINC000065170029 184313335 /nfs/dbraw/zinc/31/33/35/184313335.db2.gz FDCDTBLWQWWYDV-SFHVURJKSA-N 0 0 308.381 2.367 50 0 DEAARN CCc1nnc2c(NC(=O)Cc3ccc(OC)cc3)cccn12 ZINC000065228199 184315531 /nfs/dbraw/zinc/31/55/31/184315531.db2.gz QQGQGRONNPVAEE-UHFFFAOYSA-N 0 0 310.357 2.482 50 0 DEAARN CC(=O)NCCC1=CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000065393356 184333747 /nfs/dbraw/zinc/33/37/47/184333747.db2.gz ICTXPCOPXVEZEE-UHFFFAOYSA-N 0 0 315.417 2.092 50 0 DEAARN CC[C@H](C)NC(=O)c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000065245858 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O=C(NC[C@@H](O)c1ccccc1)c1nc(-c2cccs2)no1 ZINC000002733795 401717100 /nfs/dbraw/zinc/71/71/00/401717100.db2.gz QHRQVHTWLUVNFD-LLVKDONJSA-N 0 0 315.354 2.262 50 0 DEAARN CCCCc1ccc(NC(=S)NN2CCN(C)CC2)cc1 ZINC000002835156 401718786 /nfs/dbraw/zinc/71/87/86/401718786.db2.gz DAOURBWLDPFBKN-UHFFFAOYSA-N 0 0 306.479 2.478 50 0 DEAARN CCCCNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000002886422 401719366 /nfs/dbraw/zinc/71/93/66/401719366.db2.gz UKEFJWCGOXTMTE-CYBMUJFWSA-N 0 0 312.435 2.066 50 0 DEAARN COC(=O)c1c(N)sc(C(=O)NCCc2ccccc2)c1C ZINC000002879775 401719614 /nfs/dbraw/zinc/71/96/14/401719614.db2.gz WFIGJNXQOHINPE-UHFFFAOYSA-N 0 0 318.398 2.398 50 0 DEAARN COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccccc1 ZINC000002864538 401719689 /nfs/dbraw/zinc/71/96/89/401719689.db2.gz BXRYJVIPZMOINX-UHFFFAOYSA-N 0 0 312.369 2.301 50 0 DEAARN COC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1 ZINC000002860038 401719714 /nfs/dbraw/zinc/71/97/14/401719714.db2.gz PQZKYOAQKWWYKA-LLVKDONJSA-N 0 0 301.795 2.365 50 0 DEAARN COc1ccc2c(c1)c1ncn(Cc3ccccn3)c(=O)c1n2C ZINC000013207138 401797488 /nfs/dbraw/zinc/79/74/88/401797488.db2.gz MTGYWVUHAULUDJ-UHFFFAOYSA-N 0 0 320.352 2.340 50 0 DEAARN COc1ccc2c(c1)c1ncn(Cc3cccnc3)c(=O)c1n2C ZINC000013207170 401797747 /nfs/dbraw/zinc/79/77/47/401797747.db2.gz ISZMQPFSAIIRRL-UHFFFAOYSA-N 0 0 320.352 2.340 50 0 DEAARN CCOC(=O)c1ccccc1NC(=O)C1CCN(C(C)=O)CC1 ZINC000013323641 401798919 /nfs/dbraw/zinc/79/89/19/401798919.db2.gz SYNJFTKKUAJMNS-UHFFFAOYSA-N 0 0 318.373 2.060 50 0 DEAARN CCS(=O)(=O)N1CCc2cc(C(=O)NC3CCCC3)ccc21 ZINC000013610106 401801680 /nfs/dbraw/zinc/80/16/80/401801680.db2.gz RPFMSZJNUSHCRE-UHFFFAOYSA-N 0 0 322.430 2.071 50 0 DEAARN Cn1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)n1 ZINC000013667553 401802200 /nfs/dbraw/zinc/80/22/00/401802200.db2.gz JMBKBUHKEIIBGT-UHFFFAOYSA-N 0 0 303.709 2.376 50 0 DEAARN c1csc(Cc2nn3c(nnc3-c3cnccn3)s2)c1 ZINC000013736495 401803844 /nfs/dbraw/zinc/80/38/44/401803844.db2.gz TZJUCGNKFQSAPG-UHFFFAOYSA-N 0 0 300.372 2.295 50 0 DEAARN O=C(NCCCn1nc(-c2ccccc2)ccc1=O)c1ccco1 ZINC000013795539 401804427 /nfs/dbraw/zinc/80/44/27/401804427.db2.gz YBVIUFHCJVZZFD-UHFFFAOYSA-N 0 0 323.352 2.323 50 0 DEAARN Cc1ccc(-c2cc(=O)n(CC(=O)NC3CCCC3)cn2)cc1 ZINC000013806603 401804540 /nfs/dbraw/zinc/80/45/40/401804540.db2.gz KWJRXIYRWGEYQM-UHFFFAOYSA-N 0 0 311.385 2.278 50 0 DEAARN O=C(NCCCn1nc(-c2ccco2)ccc1=O)c1ccccc1 ZINC000013797487 401804626 /nfs/dbraw/zinc/80/46/26/401804626.db2.gz YWRJSSLGMAHNRH-UHFFFAOYSA-N 0 0 323.352 2.323 50 0 DEAARN Cc1cccc2sc(NC(=O)CSc3nc[nH]n3)nc21 ZINC000013945889 401805175 /nfs/dbraw/zinc/80/51/75/401805175.db2.gz XNQBTYWFPRVUNA-UHFFFAOYSA-N 0 0 305.388 2.454 50 0 DEAARN Nc1nc(N)nc(CSCc2cccc(C(F)(F)F)c2)n1 ZINC000014016460 401805673 /nfs/dbraw/zinc/80/56/73/401805673.db2.gz WLVHMDKLKKSXCD-UHFFFAOYSA-N 0 0 315.324 2.488 50 0 DEAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1nnc(-c2cccs2)o1 ZINC000014108463 401807228 /nfs/dbraw/zinc/80/72/28/401807228.db2.gz SLJHBTOQBOKCJR-NXEZZACHSA-N 0 0 315.354 2.249 50 0 DEAARN C[C@@H]1CN(Cn2nc(-c3ccc(F)cc3)n(C)c2=S)CCO1 ZINC000014139784 401807297 /nfs/dbraw/zinc/80/72/97/401807297.db2.gz VEHHQVMTDSRBAM-LLVKDONJSA-N 0 0 322.409 2.435 50 0 DEAARN Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C)cc1 ZINC000014153181 401807836 /nfs/dbraw/zinc/80/78/36/401807836.db2.gz IQXHSTVNYOQBSH-UHFFFAOYSA-N 0 0 318.398 2.220 50 0 DEAARN O=C(NCCc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000014158559 401808360 /nfs/dbraw/zinc/80/83/60/401808360.db2.gz PSTNOXQOPVQZOE-UHFFFAOYSA-N 0 0 310.401 2.156 50 0 DEAARN Cc1ccc(C(=O)N(C)CCCOc2ccc(F)cc2)c(=O)[nH]1 ZINC000075119811 401749772 /nfs/dbraw/zinc/74/97/72/401749772.db2.gz UZLMLFXKZJUFLV-UHFFFAOYSA-N 0 0 318.348 2.364 50 0 DEAARN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)C1CC1 ZINC000008208571 401749739 /nfs/dbraw/zinc/74/97/39/401749739.db2.gz STECVCAIMIAOPQ-VIFPVBQESA-N 0 0 306.391 2.082 50 0 DEAARN CCOC(=O)C1=C(C)NN=C(C(=O)Nc2ccccc2)S1 ZINC000008227747 401749929 /nfs/dbraw/zinc/74/99/29/401749929.db2.gz DSDGZECNECLLIQ-UHFFFAOYSA-N 0 0 305.359 2.070 50 0 DEAARN Cc1noc2ncc(NC(=O)c3cn(-c4ccccc4)nn3)cc12 ZINC000075126628 401750281 /nfs/dbraw/zinc/75/02/81/401750281.db2.gz AMHYHKIXXMNXJB-UHFFFAOYSA-N 0 0 320.312 2.364 50 0 DEAARN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCCSCC1 ZINC000075125435 401750387 /nfs/dbraw/zinc/75/03/87/401750387.db2.gz QUGSIWIICUUTIS-UHFFFAOYSA-N 0 0 304.371 2.214 50 0 DEAARN CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)c1 ZINC000008259465 401750533 /nfs/dbraw/zinc/75/05/33/401750533.db2.gz GKBUOKBKOCWHLY-LBPRGKRZSA-N 0 0 306.362 2.165 50 0 DEAARN COc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3C)CC2=O)c1 ZINC000008247499 401750605 /nfs/dbraw/zinc/75/06/05/401750605.db2.gz ASZNHVDOCPKIJG-KBPBESRZSA-N 0 0 316.401 2.449 50 0 DEAARN O=C(NC[C@@H]1CCCOC1)c1ccc(-c2cccs2)[nH]c1=O ZINC000075126116 401750644 /nfs/dbraw/zinc/75/06/44/401750644.db2.gz ZRBRMDPRBCLPMA-NSHDSACASA-N 0 0 318.398 2.260 50 0 DEAARN Cc1ccc(CN(C)C(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000008279619 401750758 /nfs/dbraw/zinc/75/07/58/401750758.db2.gz ASNTVZPXHKVYHF-UHFFFAOYSA-N 0 0 307.357 2.243 50 0 DEAARN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCS(C)(=O)=O)C1 ZINC000075134816 401750748 /nfs/dbraw/zinc/75/07/48/401750748.db2.gz WDEGQWRDXBOEQK-FZMZJTMJSA-N 0 0 313.394 2.170 50 0 DEAARN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)COc1cccnc1 ZINC000075131742 401750764 /nfs/dbraw/zinc/75/07/64/401750764.db2.gz CNLSVSDWUSBKES-OAHLLOKOSA-N 0 0 314.389 2.174 50 0 DEAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccnc1 ZINC000008289264 401750815 /nfs/dbraw/zinc/75/08/15/401750815.db2.gz XXQSWFAJXQMWHU-NSHDSACASA-N 0 0 300.314 2.274 50 0 DEAARN Cc1nn(C)c(C)c1CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000008273312 401751002 /nfs/dbraw/zinc/75/10/02/401751002.db2.gz MWLATBXGOWBISE-UHFFFAOYSA-N 0 0 302.334 2.087 50 0 DEAARN CC(=O)Nc1nc(CN[C@@H](C)[C@@H](C)n2cc(C)cn2)cs1 ZINC000075133943 401751035 /nfs/dbraw/zinc/75/10/35/401751035.db2.gz ZWDXMZJETYEUTL-WDEREUQCSA-N 0 0 307.423 2.346 50 0 DEAARN COc1ccc(C(C)(C)CNC(=O)N2CCOCC2)cc1OC ZINC000075133445 401751102 /nfs/dbraw/zinc/75/11/02/401751102.db2.gz 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/nfs/dbraw/zinc/75/76/48/401757648.db2.gz JHVXQCUXQSKRGJ-CQSZACIVSA-N 0 0 314.341 2.441 50 0 DEAARN CCc1nc2nc(C)c(CC(=O)NCc3ccccc3)c(C)n2n1 ZINC000075330635 401757920 /nfs/dbraw/zinc/75/79/20/401757920.db2.gz QFWOTBWIYFHNMB-UHFFFAOYSA-N 0 0 323.400 2.162 50 0 DEAARN Cc1noc([C@@H]2CN(C(=O)C3CCCC3)CC23CCOCC3)n1 ZINC000075403602 401759323 /nfs/dbraw/zinc/75/93/23/401759323.db2.gz QOXXVOZQKUKEDW-AWEZNQCLSA-N 0 0 319.405 2.291 50 0 biogenic DEAARN COc1cccc(-c2nnc(NC(=O)c3cc(C)nn3C)o2)c1 ZINC000009122515 401759541 /nfs/dbraw/zinc/75/95/41/401759541.db2.gz ORFVLLFTJDJRIO-UHFFFAOYSA-N 0 0 313.317 2.039 50 0 DEAARN O=c1ccc(-c2noc(/C=C/c3ccc4c(c3)OCO4)n2)c[nH]1 ZINC000075505260 401760943 /nfs/dbraw/zinc/76/09/43/401760943.db2.gz BCOQSRHFETWDBX-QHHAFSJGSA-N 0 0 309.281 2.324 50 0 DEAARN COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)NCC(F)(F)F ZINC000009313767 401760940 /nfs/dbraw/zinc/76/09/40/401760940.db2.gz PNGKSCLDMWBXPI-SECBINFHSA-N 0 0 319.279 2.344 50 0 DEAARN COc1ccc(NC(=O)Cc2c(C)nn(C)c2C)c(OC)c1 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CCCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000009659363 401765082 /nfs/dbraw/zinc/76/50/82/401765082.db2.gz OAMLMCNMDDEOBP-UHFFFAOYSA-N 0 0 307.375 2.447 50 0 DEAARN O=C1NC2(CCCCC2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000009743554 401765726 /nfs/dbraw/zinc/76/57/26/401765726.db2.gz UGQISCAPYHSDGC-UHFFFAOYSA-N 0 0 302.330 2.170 50 0 DEAARN O=C(CCNC(=O)c1cccs1)NCCc1cccc(F)c1 ZINC000010101511 401767843 /nfs/dbraw/zinc/76/78/43/401767843.db2.gz FGNUOBHHRMUQKU-UHFFFAOYSA-N 0 0 320.389 2.366 50 0 DEAARN CCCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010216078 401768693 /nfs/dbraw/zinc/76/86/93/401768693.db2.gz VHRRHVUNMHCJBW-UHFFFAOYSA-N 0 0 318.373 2.393 50 0 DEAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000010302189 401769058 /nfs/dbraw/zinc/76/90/58/401769058.db2.gz NSVCMIBRFOBSMI-AWEZNQCLSA-N 0 0 324.446 2.304 50 0 DEAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C)n2)cc1 ZINC000010253161 401769169 /nfs/dbraw/zinc/76/91/69/401769169.db2.gz CWRNWIWJYSXGBR-UHFFFAOYSA-N 0 0 318.398 2.365 50 0 DEAARN 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321.340 2.304 50 0 DEAARN CC(=O)NCC(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000011818119 401776921 /nfs/dbraw/zinc/77/69/21/401776921.db2.gz ALPLXMRVSATFDA-CYBMUJFWSA-N 0 0 324.371 2.272 50 0 DEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000012002090 401777997 /nfs/dbraw/zinc/77/79/97/401777997.db2.gz ZOPISKDOFNFRTN-CYBMUJFWSA-N 0 0 322.430 2.234 50 0 DEAARN C[C@@H]1C[C@H](C)N(C(=O)CN2c3ccccc3SCC2=O)C1 ZINC000076019528 401778057 /nfs/dbraw/zinc/77/80/57/401778057.db2.gz XJKJRAIYIPLORF-NEPJUHHUSA-N 0 0 304.415 2.382 50 0 DEAARN O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](CO)C1 ZINC000076047533 401778544 /nfs/dbraw/zinc/77/85/44/401778544.db2.gz LBZOLKYYPSCXMN-CYBMUJFWSA-N 0 0 317.389 2.050 50 0 DEAARN Cc1occc1C(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012053317 401778638 /nfs/dbraw/zinc/77/86/38/401778638.db2.gz XRIKNMBVWOVFRT-CQSZACIVSA-N 0 0 316.332 2.258 50 0 DEAARN NC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000012050553 401778880 /nfs/dbraw/zinc/77/88/80/401778880.db2.gz 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/nfs/dbraw/zinc/81/06/06/401810606.db2.gz DCYFLACZSVAPSU-NSHDSACASA-N 0 0 305.407 2.051 50 0 DEAARN CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012300284 401782942 /nfs/dbraw/zinc/78/29/42/401782942.db2.gz SXRLPFOGINYEMX-KRWDZBQOSA-N 0 0 304.365 2.187 50 0 DEAARN Cc1ccc(NC(=O)CCc2c(C)nc3[nH]cnn3c2=O)cc1 ZINC000012322032 401783223 /nfs/dbraw/zinc/78/32/23/401783223.db2.gz PLBQJLSZRFHIMD-UHFFFAOYSA-N 0 0 311.345 2.018 50 0 DEAARN CCOc1cc(C)ccc1S(=O)(=O)NCc1cccnc1 ZINC000012420627 401785574 /nfs/dbraw/zinc/78/55/74/401785574.db2.gz DWRVTNWSEYVKMV-UHFFFAOYSA-N 0 0 306.387 2.267 50 0 DEAARN CCN(Cc1nccn1C)C(=O)c1ccc(NC2CCC2)nc1 ZINC000012434373 401785763 /nfs/dbraw/zinc/78/57/63/401785763.db2.gz MYONACCWCJOWED-UHFFFAOYSA-N 0 0 313.405 2.442 50 0 DEAARN Cc1noc(C)c1CC(=O)N1CCC(CCn2cccn2)CC1 ZINC000077342062 401810881 /nfs/dbraw/zinc/81/08/81/401810881.db2.gz RKVQBLZCVSNEHS-UHFFFAOYSA-N 0 0 316.405 2.359 50 0 DEAARN Cn1ccnc1[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccccc1 ZINC000012627414 401789529 /nfs/dbraw/zinc/78/95/29/401789529.db2.gz HBIZKRANBXNXBJ-ZDUSSCGKSA-N 0 0 315.764 2.358 50 0 DEAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000012625236 401789548 /nfs/dbraw/zinc/78/95/48/401789548.db2.gz CATNEWIGGQHJFE-PHIMTYICSA-N 0 0 322.405 2.100 50 0 DEAARN O=C(NC1CCC1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000012715747 401790453 /nfs/dbraw/zinc/79/04/53/401790453.db2.gz NAURGMCWDLFYRF-ZDUSSCGKSA-N 0 0 304.365 2.233 50 0 DEAARN Cc1oc(C)c(C(=O)Nc2cccc(OCC(N)=O)c2)c1C ZINC000012769097 401791594 /nfs/dbraw/zinc/79/15/94/401791594.db2.gz QYERHWXPKWTPNC-UHFFFAOYSA-N 0 0 302.330 2.321 50 0 DEAARN C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCCC1 ZINC000012796321 401792317 /nfs/dbraw/zinc/79/23/17/401792317.db2.gz GOKPMRFTGVYLPU-GFCCVEGCSA-N 0 0 301.390 2.002 50 0 DEAARN O=C1CCc2cc(OS(=O)(=O)c3cccc(F)c3)ccc2N1 ZINC000012814465 401792329 /nfs/dbraw/zinc/79/23/29/401792329.db2.gz OFFBLFBQEOTTDY-UHFFFAOYSA-N 0 0 321.329 2.478 50 0 DEAARN Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(N)(=O)=O)c1 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ZINC000020010553 182177904 /nfs/dbraw/zinc/17/79/04/182177904.db2.gz RIDMHWOJDYAZJX-UHFFFAOYSA-N 0 0 324.424 2.267 50 0 DEAARN O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccccc1 ZINC000020103300 182186805 /nfs/dbraw/zinc/18/68/05/182186805.db2.gz FIQXWHARBQRZIE-AWEZNQCLSA-N 0 0 306.325 2.212 50 0 DEAARN C[C@H]1CCc2c(C(=O)NCCCN3CCOCC3)csc2C1 ZINC000020379913 182212747 /nfs/dbraw/zinc/21/27/47/182212747.db2.gz RTHYNDONZYERRJ-ZDUSSCGKSA-N 0 0 322.474 2.325 50 0 DEAARN COc1ccccc1OCC(=O)Nc1ccc(N(C)C)nc1 ZINC000020375473 182212948 /nfs/dbraw/zinc/21/29/48/182212948.db2.gz URPLTRFLNRXJRH-UHFFFAOYSA-N 0 0 301.346 2.174 50 0 DEAARN COc1ccc2c(c1)[nH]cc2C(=O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000020441744 182217996 /nfs/dbraw/zinc/21/79/96/182217996.db2.gz CPLDFFPVDWBVMY-VXGBXAGGSA-N 0 0 302.374 2.468 50 0 DEAARN O=c1c(=O)n(-c2ccc(F)cc2)ccn1Cc1ccc(F)cc1 ZINC000020488802 182223627 /nfs/dbraw/zinc/22/36/27/182223627.db2.gz NNKAEDZIOWTXFN-UHFFFAOYSA-N 0 0 314.291 2.326 50 0 DEAARN CCc1cccc(OCCN(C)C(=O)c2cc(C)nn2C)c1 ZINC000097694608 193748129 /nfs/dbraw/zinc/74/81/29/193748129.db2.gz XOOVCQMTMVEEQI-UHFFFAOYSA-N 0 0 301.390 2.442 50 0 DEAARN CCCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000020534804 182227556 /nfs/dbraw/zinc/22/75/56/182227556.db2.gz AVUZQXXFUFVEEH-AWEZNQCLSA-N 0 0 305.378 2.127 50 0 DEAARN Cc1cc2oc(=O)cc(CN3C[C@@H](C)O[C@@H](C)C3)c2cc1O ZINC000020609942 182238862 /nfs/dbraw/zinc/23/88/62/182238862.db2.gz WFYOGACWNAFSPS-TXEJJXNPSA-N 0 0 303.358 2.416 50 0 biogenic DEAARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000021054836 182264071 /nfs/dbraw/zinc/26/40/71/182264071.db2.gz QVXQSGKRZICQGX-STQMWFEESA-N 0 0 308.397 2.443 50 0 DEAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2nsnc2c1 ZINC000021096745 182265144 /nfs/dbraw/zinc/26/51/44/182265144.db2.gz LQSRYZWCHRENAV-UHFFFAOYSA-N 0 0 313.338 2.350 50 0 DEAARN NC(=O)Cc1csc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000021496367 182275247 /nfs/dbraw/zinc/27/52/47/182275247.db2.gz ZDIUTLWBZRKMIX-RYUDHWBXSA-N 0 0 319.361 2.052 50 0 DEAARN NC(=O)Cc1csc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000021496361 182275255 /nfs/dbraw/zinc/27/52/55/182275255.db2.gz ZDIUTLWBZRKMIX-VXGBXAGGSA-N 0 0 319.361 2.052 50 0 DEAARN COC[C@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000021187894 182269172 /nfs/dbraw/zinc/26/91/72/182269172.db2.gz CEFQPSLJACREJT-JTQLQIEISA-N 0 0 305.353 2.393 50 0 DEAARN O=C(NCCn1cc(Cl)cn1)[C@H]1CCOc2ccccc2C1 ZINC000097785531 193758394 /nfs/dbraw/zinc/75/83/94/193758394.db2.gz JSJABQSROHAPCL-ZDUSSCGKSA-N 0 0 319.792 2.294 50 0 DEAARN CCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000021535220 182279288 /nfs/dbraw/zinc/27/92/88/182279288.db2.gz DXLVYVINUFVTSY-UHFFFAOYSA-N 0 0 305.407 2.069 50 0 DEAARN CC(C)CCNC(=O)[C@]1(C)CCC(=O)N1Cc1cccnc1 ZINC000021775993 182288353 /nfs/dbraw/zinc/28/83/53/182288353.db2.gz SIPUHQHQOHCHGB-KRWDZBQOSA-N 0 0 303.406 2.125 50 0 DEAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](C)C(C)C)no1 ZINC000021871724 182295473 /nfs/dbraw/zinc/29/54/73/182295473.db2.gz MORKJKJJFTXKED-QWRGUYRKSA-N 0 0 313.423 2.204 50 0 DEAARN CC(=O)c1csc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 ZINC000021898209 182297523 /nfs/dbraw/zinc/29/75/23/182297523.db2.gz DOKVILFCNIFBOS-JTQLQIEISA-N 0 0 315.354 2.410 50 0 DEAARN CCONC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000021904053 182297545 /nfs/dbraw/zinc/29/75/45/182297545.db2.gz VVVVSEYNUCBBHZ-UHFFFAOYSA-N 0 0 315.373 2.194 50 0 DEAARN NC(=O)c1ccccc1OCC(=O)NCC1(c2ccccc2)CC1 ZINC000021738923 182287224 /nfs/dbraw/zinc/28/72/24/182287224.db2.gz ZCONJKNTVUIMIF-UHFFFAOYSA-N 0 0 324.380 2.012 50 0 DEAARN COc1ccc(C(N)=O)cc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000022023137 182304701 /nfs/dbraw/zinc/30/47/01/182304701.db2.gz IORCXVDBOGPMOQ-LLVKDONJSA-N 0 0 314.341 2.200 50 0 DEAARN O=C(O[C@@H]1[C@H]2C[C@H]3C(=O)O[C@H]1[C@H]3C2)c1ccc2ncccc2c1 ZINC000241965558 284451742 /nfs/dbraw/zinc/45/17/42/284451742.db2.gz UTUJOTUPFBGMQZ-RHBQXOTJSA-N 0 0 309.321 2.342 50 0 DEAARN Cc1cnc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cn1 ZINC000022063614 182307701 /nfs/dbraw/zinc/30/77/01/182307701.db2.gz CUFHVRDRCSTOGN-UHFFFAOYSA-N 0 0 310.357 2.064 50 0 DEAARN CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000022241131 182315329 /nfs/dbraw/zinc/31/53/29/182315329.db2.gz JSXBUNZRBRKSKB-VBQJREDUSA-N 0 0 318.417 2.198 50 0 DEAARN COc1ccc(CNC(=O)c2c(C)nn(C)c2Cl)cc1OC ZINC000022316137 182317936 /nfs/dbraw/zinc/31/79/36/182317936.db2.gz JRRHTGNBCLWGJH-UHFFFAOYSA-N 0 0 323.780 2.329 50 0 DEAARN CCOCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000022332596 182318955 /nfs/dbraw/zinc/31/89/55/182318955.db2.gz KAZSKECSYHAEGT-UHFFFAOYSA-N 0 0 318.329 2.227 50 0 DEAARN Cc1ccc(O)c(C(=O)NCCCN2CCCCCC2=O)c1 ZINC000022620081 182328446 /nfs/dbraw/zinc/32/84/46/182328446.db2.gz CIESOGPMGPNWNK-UHFFFAOYSA-N 0 0 304.390 2.223 50 0 DEAARN CC(C)(C)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000023013165 182344721 /nfs/dbraw/zinc/34/47/21/182344721.db2.gz OOAOFHRIAWQSME-UHFFFAOYSA-N 0 0 301.390 2.318 50 0 DEAARN C[C@@H](Sc1nnnn1C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000022785012 182335142 /nfs/dbraw/zinc/33/51/42/182335142.db2.gz BPSXMSWLAKMURL-NXEZZACHSA-N 0 0 323.447 2.116 50 0 DEAARN Cc1nc(CC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cs1 ZINC000022841751 182336820 /nfs/dbraw/zinc/33/68/20/182336820.db2.gz XPKWMPJHSMOPOH-GWCFXTLKSA-N 0 0 310.419 2.232 50 0 DEAARN Cc1nc2cc(NC(=O)CN(C)C(=O)c3ccco3)ccc2o1 ZINC000022876097 182339170 /nfs/dbraw/zinc/33/91/70/182339170.db2.gz CHDUHFDYAMYOOH-UHFFFAOYSA-N 0 0 313.313 2.440 50 0 DEAARN O=C(CCCn1c(=O)oc2ccccc21)NCc1cccnc1 ZINC000022927695 182342127 /nfs/dbraw/zinc/34/21/27/182342127.db2.gz CQDNCQXEZSIXCO-UHFFFAOYSA-N 0 0 311.341 2.086 50 0 DEAARN COc1ccc(CC(=O)Nc2cccnc2-n2cccn2)cc1 ZINC000023170685 182352089 /nfs/dbraw/zinc/35/20/89/182352089.db2.gz CZOGCEWMDHWSNI-UHFFFAOYSA-N 0 0 308.341 2.457 50 0 DEAARN Cc1cccc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000023248019 182354493 /nfs/dbraw/zinc/35/44/93/182354493.db2.gz PDGMVDGCSNBGOR-LJQANCHMSA-N 0 0 323.440 2.339 50 0 DEAARN CCCCN1C(=O)C[C@@H](C(=O)NOC)[C@@H]1c1ccc(OC)cc1 ZINC000023041225 182345863 /nfs/dbraw/zinc/34/58/63/182345863.db2.gz BFIVZEAOBOPVRF-ZBFHGGJFSA-N 0 0 320.389 2.063 50 0 DEAARN CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1 ZINC000023411491 182359714 /nfs/dbraw/zinc/35/97/14/182359714.db2.gz KDZNWFDVFFSYMN-UHFFFAOYSA-N 0 0 324.384 2.395 50 0 DEAARN Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)[nH]1 ZINC000023390676 182359893 /nfs/dbraw/zinc/35/98/93/182359893.db2.gz HYMJPHBYBABFLF-UHFFFAOYSA-N 0 0 317.389 2.315 50 0 DEAARN O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc2ccccc2s1 ZINC000024161626 182375485 /nfs/dbraw/zinc/37/54/85/182375485.db2.gz XYIBLWJPPDWPDM-CQSZACIVSA-N 0 0 319.411 2.224 50 0 DEAARN COC(=O)c1cccc(S(=O)(=O)Oc2cccc(OC)c2)c1 ZINC000024260280 182378260 /nfs/dbraw/zinc/37/82/60/182378260.db2.gz XDKHMVVTGRWRMJ-UHFFFAOYSA-N 0 0 322.338 2.250 50 0 DEAARN Cc1ccc(CN(C)S(=O)(=O)c2cccc3nsnc32)o1 ZINC000023863527 182369353 /nfs/dbraw/zinc/36/93/53/182369353.db2.gz GTVYWYSLXKCJPD-UHFFFAOYSA-N 0 0 323.399 2.413 50 0 DEAARN CC(C)(CNC(=O)Nc1ccc(F)cc1F)N1CCOCC1 ZINC000023994915 182371319 /nfs/dbraw/zinc/37/13/19/182371319.db2.gz JRWPEWMCCFPJFV-UHFFFAOYSA-N 0 0 313.348 2.197 50 0 DEAARN Cc1nc(CC(=O)NCC(=O)Nc2c(C)cccc2C)cs1 ZINC000024812692 182391779 /nfs/dbraw/zinc/39/17/79/182391779.db2.gz ASSFVQGNJUYUHL-UHFFFAOYSA-N 0 0 317.414 2.366 50 0 DEAARN Cc1cc(CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)on1 ZINC000024509369 182382472 /nfs/dbraw/zinc/38/24/72/182382472.db2.gz FWDDZMJZISSVLG-OAHLLOKOSA-N 0 0 321.283 2.228 50 0 DEAARN Cc1ccc(-c2nc(C(=O)NCc3ccnn3C)cs2)o1 ZINC000024650232 182386141 /nfs/dbraw/zinc/38/61/41/182386141.db2.gz KEVGGTZHDYVZAN-UHFFFAOYSA-N 0 0 302.359 2.375 50 0 DEAARN CC(C)N(C1CC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000024688409 182387565 /nfs/dbraw/zinc/38/75/65/182387565.db2.gz IJJFYQUAUQODCP-UHFFFAOYSA-N 0 0 322.430 2.375 50 0 DEAARN COC(=O)[C@H](CC(C)C)NC(=O)c1cn(C)c2ccccc12 ZINC000024726036 182388727 /nfs/dbraw/zinc/38/87/27/182388727.db2.gz VTCJUCCBVHWCOZ-AWEZNQCLSA-N 0 0 302.374 2.496 50 0 biogenic DEAARN O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1Cc2ccccc2O1 ZINC000025009796 182399006 /nfs/dbraw/zinc/39/90/06/182399006.db2.gz INKWVCUCXVTYNM-HNNXBMFYSA-N 0 0 306.325 2.210 50 0 DEAARN CC(=O)c1cccc(OCC(=O)N(C)Cc2cc(C)on2)c1 ZINC000025135808 182402282 /nfs/dbraw/zinc/40/22/82/182402282.db2.gz BYQMTASSCYKFMW-UHFFFAOYSA-N 0 0 302.330 2.223 50 0 DEAARN Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CCOCC1 ZINC000028191031 182510660 /nfs/dbraw/zinc/51/06/60/182510660.db2.gz ZDMPIEDGUIERMP-LBPRGKRZSA-N 0 0 317.414 2.278 50 0 DEAARN Cc1noc(C)c1CNc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000029399035 182563988 /nfs/dbraw/zinc/56/39/88/182563988.db2.gz AHELREFNWVCHNY-UHFFFAOYSA-N 0 0 323.418 2.462 50 0 DEAARN O=C1N[C@]2(CCSC2)C(=O)N1Cc1cccc2cccnc21 ZINC000029865882 182579191 /nfs/dbraw/zinc/57/91/91/182579191.db2.gz FWCAVOVGAAXXHV-INIZCTEOSA-N 0 0 313.382 2.162 50 0 DEAARN CS(=O)(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1 ZINC000030713459 182596362 /nfs/dbraw/zinc/59/63/62/182596362.db2.gz GNMTYQGTFBVCSU-UHFFFAOYSA-N 0 0 310.400 2.301 50 0 DEAARN COCc1ccc(CN/C=C2/C(=O)NC(=O)c3ccccc32)cc1 ZINC000032080731 182634038 /nfs/dbraw/zinc/63/40/38/182634038.db2.gz CXFQQPLXMVDGJJ-GZTJUZNOSA-N 0 0 322.364 2.234 50 0 DEAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccnc1 ZINC000032103346 182635391 /nfs/dbraw/zinc/63/53/91/182635391.db2.gz JDUOBVJXFTWTHR-HNNXBMFYSA-N 0 0 302.717 2.148 50 0 DEAARN Cc1ccc(CNC(=O)CCNC(=O)Cc2ccccc2)cc1 ZINC000032878880 182674083 /nfs/dbraw/zinc/67/40/83/182674083.db2.gz JTBJHGROBBFOAI-UHFFFAOYSA-N 0 0 310.397 2.360 50 0 DEAARN O=C(NCCCOC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2S1 ZINC000032880038 182674373 /nfs/dbraw/zinc/67/43/73/182674373.db2.gz HYNRSBURPWWUTH-HOCLYGCPSA-N 0 0 321.442 2.405 50 0 DEAARN CC(=O)Nc1cc(NC(=O)c2c(C)nn(C)c2C)ccc1F ZINC000032907155 182676955 /nfs/dbraw/zinc/67/69/55/182676955.db2.gz AWSQEFVWTPCGAA-UHFFFAOYSA-N 0 0 304.325 2.387 50 0 DEAARN CC(C)N1C[C@H](C(=O)NCCSc2ccccc2)CC1=O ZINC000032816335 182666806 /nfs/dbraw/zinc/66/68/06/182666806.db2.gz CLXMBCTWKQIVJK-CYBMUJFWSA-N 0 0 306.431 2.152 50 0 DEAARN Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@H]2CCCO2)C(C)C)cc1 ZINC000032975826 182685979 /nfs/dbraw/zinc/68/59/79/182685979.db2.gz OEGCQYWZXAHBDG-HZPDHXFCSA-N 0 0 318.417 2.045 50 0 DEAARN CCOC(=O)COc1ccc(I)cc1 ZINC000034937600 182745030 /nfs/dbraw/zinc/74/50/30/182745030.db2.gz LSDOOFJZRXYLSK-UHFFFAOYSA-N 0 0 306.099 2.233 50 0 DEAARN CCNC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1 ZINC000036391835 182823336 /nfs/dbraw/zinc/82/33/36/182823336.db2.gz NAGCPMPKKOTOIU-VIFPVBQESA-N 0 0 318.295 2.342 50 0 DEAARN CCCCS(=O)(=O)N1CCC[C@H](c2nnc(C)s2)C1 ZINC000038666540 183005689 /nfs/dbraw/zinc/00/56/89/183005689.db2.gz CTBUOFZWXYBALE-NSHDSACASA-N 0 0 303.453 2.156 50 0 DEAARN O=S(=O)(c1cccc(F)c1)N1CCN(C2CCCC2)CC1 ZINC000039975031 183025645 /nfs/dbraw/zinc/02/56/45/183025645.db2.gz MHPITKJYJZINET-UHFFFAOYSA-N 0 0 312.410 2.075 50 0 DEAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 ZINC000040161100 183041153 /nfs/dbraw/zinc/04/11/53/183041153.db2.gz JLMMRJUPARWKQS-UHFFFAOYSA-N 0 0 308.334 2.034 50 0 DEAARN O=S(=O)(NCCCn1cccn1)c1ccc2c(c1)CCCC2 ZINC000040072322 183031429 /nfs/dbraw/zinc/03/14/29/183031429.db2.gz FVUVRFGPJJCMIY-UHFFFAOYSA-N 0 0 319.430 2.131 50 0 DEAARN C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000040074616 183031577 /nfs/dbraw/zinc/03/15/77/183031577.db2.gz OEBCOCHUMGMOKO-RKDXNWHRSA-N 0 0 321.851 2.404 50 0 DEAARN O=C(Nc1ccc2c(c1)CCC2)c1sccc1-n1cnnn1 ZINC000040088074 183033015 /nfs/dbraw/zinc/03/30/15/183033015.db2.gz UTLKZCICTSBWCA-UHFFFAOYSA-N 0 0 311.370 2.465 50 0 DEAARN CC(C)N(C)S(=O)(=O)NCCCSc1ccc(F)cc1 ZINC000040105643 183035406 /nfs/dbraw/zinc/03/54/06/183035406.db2.gz SNNZLKLNJMLMAK-UHFFFAOYSA-N 0 0 320.455 2.483 50 0 DEAARN Cc1nn(-c2ccc(C)cc2C)nc1C(=O)N1CCSCC1 ZINC000040122310 183038607 /nfs/dbraw/zinc/03/86/07/183038607.db2.gz LOBGNRMKXJVKTD-UHFFFAOYSA-N 0 0 316.430 2.382 50 0 DEAARN COC[C@@H](C)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000040474276 183074027 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309.385 2.407 50 0 DEAARN CN(C)c1cnc(C(=O)Nc2cc(C3CCCC3)nn2C)cn1 ZINC000329284973 404291626 /nfs/dbraw/zinc/29/16/26/404291626.db2.gz GHRCPHINHPHKFB-UHFFFAOYSA-N 0 0 314.393 2.186 50 0 DEAARN COc1nccc2c(NS(=O)(=O)C[C@@H](C)OC)cccc21 ZINC000414459245 404639383 /nfs/dbraw/zinc/63/93/83/404639383.db2.gz ZFLPXMDWHPDDEB-SNVBAGLBSA-N 0 0 310.375 2.020 50 0 DEAARN O=C(COCC(F)(F)F)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000365777132 404719140 /nfs/dbraw/zinc/71/91/40/404719140.db2.gz LRKRJGUGSUHOBB-QWRGUYRKSA-N 0 0 305.300 2.062 50 0 DEAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC(=O)N(C2CC2)C1 ZINC000408450717 405209408 /nfs/dbraw/zinc/20/94/08/405209408.db2.gz IKPAVAGDMASUQC-NXEZZACHSA-N 0 0 319.327 2.081 50 0 DEAARN CCc1nnc(CNC(=O)c2c[nH]nc2-c2cccs2)o1 ZINC000426424420 405359328 /nfs/dbraw/zinc/35/93/28/405359328.db2.gz WRKAMTIGVNRSSX-UHFFFAOYSA-N 0 0 303.347 2.014 50 0 DEAARN CCCc1noc(CN(C)C(=O)c2c(Cl)cnn2CC)n1 ZINC000426429800 405359628 /nfs/dbraw/zinc/35/96/28/405359628.db2.gz LTAOZCQXKQWBHY-UHFFFAOYSA-N 0 0 311.773 2.164 50 0 DEAARN CNC(=O)C[C@H](C)N(C)C(=O)Nc1cccc(-c2c[nH]cn2)c1 ZINC000426489529 405364015 /nfs/dbraw/zinc/36/40/15/405364015.db2.gz JHMCBJAZUROXTD-NSHDSACASA-N 0 0 315.377 2.065 50 0 DEAARN O=C(N[C@@H](Cn1ccnc1)c1ccccc1)N1CCSCC1 ZINC000426488007 405364086 /nfs/dbraw/zinc/36/40/86/405364086.db2.gz MOOMOMFMJPIGEY-HNNXBMFYSA-N 0 0 316.430 2.383 50 0 DEAARN O=C(c1ccc(-c2ccc3c(c2)CCC3=O)cc1)N1CC(O)C1 ZINC000426505927 405365607 /nfs/dbraw/zinc/36/56/07/405365607.db2.gz VUBPAFHBECVCFA-UHFFFAOYSA-N 0 0 307.349 2.299 50 0 DEAARN CCCn1ccnc1CNC(=O)c1c(C)c(C)c(C)[nH]c1=O ZINC000426514651 405366230 /nfs/dbraw/zinc/36/62/30/405366230.db2.gz MIEAFHBHBNMCJA-UHFFFAOYSA-N 0 0 302.378 2.249 50 0 DEAARN Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)o1 ZINC000426522974 405366737 /nfs/dbraw/zinc/36/67/37/405366737.db2.gz QZTGLFKTTJGYBF-CYBMUJFWSA-N 0 0 303.362 2.249 50 0 DEAARN Cc1c[nH]c(CN(C)C(=O)N[C@@H]2COC3(C2)CCCCC3)n1 ZINC000426673979 405373677 /nfs/dbraw/zinc/37/36/77/405373677.db2.gz DMROHBUZAAXVKD-ZDUSSCGKSA-N 0 0 306.410 2.351 50 0 DEAARN Cc1nc2ccccc2n1CC(=O)NCCc1nc(C)cc(C)n1 ZINC000426724011 405376322 /nfs/dbraw/zinc/37/63/22/405376322.db2.gz QFRUWYKXCFLBQU-UHFFFAOYSA-N 0 0 323.400 2.110 50 0 DEAARN CC(C)c1nnc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)s1 ZINC000528494274 405634600 /nfs/dbraw/zinc/63/46/00/405634600.db2.gz QJWLSVXZKHCJGV-YNEHKIRRSA-N 0 0 311.451 2.023 50 0 DEAARN COc1cccc(C)c1CN1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000583651545 405780462 /nfs/dbraw/zinc/78/04/62/405780462.db2.gz OXSYFRXPWINFGR-HNNXBMFYSA-N 0 0 316.405 2.184 50 0 DEAARN O=C(C[C@H](n1ccnc1)C(F)(F)F)N1CCCSCC1 ZINC000585120902 405871744 /nfs/dbraw/zinc/87/17/44/405871744.db2.gz VLAYQRZSMIMQHD-JTQLQIEISA-N 0 0 307.341 2.342 50 0 DEAARN C[C@@H]1C[C@@H](C(=O)NC2CC(N3CCOCC3)C2)CC(C)(C)C1 ZINC000585123768 405872064 /nfs/dbraw/zinc/87/20/64/405872064.db2.gz GCVNSUIKHBYRAR-WXLSXGNJSA-N 0 0 308.466 2.428 50 0 DEAARN Cn1cc(C(C)(C)NC(=O)c2cc(F)cc3cccnc32)nn1 ZINC000585125478 405873532 /nfs/dbraw/zinc/87/35/32/405873532.db2.gz UUUDDRYOMYFWKA-UHFFFAOYSA-N 0 0 313.336 2.168 50 0 DEAARN Cc1c(CNC(=O)[C@]2(C(=O)OC(C)(C)C)CC2(C)C)cnn1C ZINC000585107796 405868290 /nfs/dbraw/zinc/86/82/90/405868290.db2.gz VLNSJGIAHFHNRR-KRWDZBQOSA-N 0 0 321.421 2.103 50 0 DEAARN O=C(NCc1noc(C2CC2)n1)c1c[nH]c(=O)c2ccccc12 ZINC000527063433 406577159 /nfs/dbraw/zinc/57/71/59/406577159.db2.gz AXSSGNRCGJQJKM-UHFFFAOYSA-N 0 0 310.313 2.131 50 0 DEAARN O=C(/C=C/c1cccs1)NCc1nc(C2CCOCC2)no1 ZINC000575617406 406814206 /nfs/dbraw/zinc/81/42/06/406814206.db2.gz PEOPPWIBHGGTEC-ONEGZZNKSA-N 0 0 319.386 2.355 50 0 DEAARN Cc1cc(CCC(=O)N[C@@H](Cn2ccnn2)C(C)C)ccc1F ZINC000575617282 406814217 /nfs/dbraw/zinc/81/42/17/406814217.db2.gz VLCQTTJMMNTISI-INIZCTEOSA-N 0 0 318.396 2.499 50 0 DEAARN O=C(Cc1ccc(F)cc1)NC[C@@H](OCCO)c1ccsc1 ZINC000575618745 406815227 /nfs/dbraw/zinc/81/52/27/406815227.db2.gz BYYLJCPSHYDAJF-OAHLLOKOSA-N 0 0 323.389 2.296 50 0 DEAARN CCCn1c(C)cnc1C[C@H]1CCN(S(=O)(=O)CCC)C1 ZINC000575546582 406811990 /nfs/dbraw/zinc/81/19/90/406811990.db2.gz QLHHGKFKCYBGIE-CQSZACIVSA-N 0 0 313.467 2.206 50 0 DEAARN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCOc2ccc(F)cc21 ZINC000184668283 286787986 /nfs/dbraw/zinc/78/79/86/286787986.db2.gz OILYGDLZMFIBCL-ZETCQYMHSA-N 0 0 313.272 2.305 50 0 DEAARN C[C@@H](Sc1nncn1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000006063384 287125355 /nfs/dbraw/zinc/12/53/55/287125355.db2.gz KXTZZQMVVCOILU-WDEREUQCSA-N 0 0 302.403 2.274 50 0 DEAARN C[C@@H]1CC(=O)c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c(=O)[nH]c2C1 ZINC000071376384 287203401 /nfs/dbraw/zinc/20/34/01/287203401.db2.gz FADJIOYYICDTJF-MJVIPROJSA-N 0 0 316.401 2.448 50 0 DEAARN C[C@@H]1CCOCCN1C(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000128684381 195984000 /nfs/dbraw/zinc/98/40/00/195984000.db2.gz BOAZRICKYGGJLK-SNVBAGLBSA-N 0 0 319.386 2.276 50 0 DEAARN CC[C@@H]1COCCN1C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000072525259 287233964 /nfs/dbraw/zinc/23/39/64/287233964.db2.gz SHXIQWXVJNVHQE-ILXRZTDVSA-N 0 0 306.410 2.187 50 0 DEAARN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccoc2)cc1 ZINC000129332072 196040225 /nfs/dbraw/zinc/04/02/25/196040225.db2.gz FLSKGZJKIYJKJR-GFCCVEGCSA-N 0 0 307.371 2.180 50 0 DEAARN C[C@@H]1CCCCN1C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002916950 287261115 /nfs/dbraw/zinc/26/11/15/287261115.db2.gz XBTJJSLKIRECHZ-GFCCVEGCSA-N 0 0 324.384 2.201 50 0 DEAARN COC(=O)C(C)(C)CNC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000131346858 196160837 /nfs/dbraw/zinc/16/08/37/196160837.db2.gz FTHYGWBXVGPQDU-UHFFFAOYSA-N 0 0 319.283 2.421 50 0 DEAARN CC(C)CN1N=C(C(=O)Nc2cc(Cl)ccn2)CCC1=O ZINC000131487026 196174021 /nfs/dbraw/zinc/17/40/21/196174021.db2.gz NMAZDSRFIMNMJZ-UHFFFAOYSA-N 0 0 308.769 2.308 50 0 DEAARN O=C(NCc1coc(-c2ccccc2)n1)c1n[nH]c2c1CCC2 ZINC000132261287 196239937 /nfs/dbraw/zinc/23/99/37/196239937.db2.gz OXTWGCFVUAEHRW-UHFFFAOYSA-N 0 0 308.341 2.483 50 0 DEAARN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3n[nH]nc3c2)C12CCC2 ZINC000132956151 196299370 /nfs/dbraw/zinc/29/93/70/196299370.db2.gz RVXJKGGFVFPYBQ-LSDHHAIUSA-N 0 0 314.389 2.378 50 0 DEAARN COC(=O)C1(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000134488382 196395567 /nfs/dbraw/zinc/39/55/67/196395567.db2.gz ILJBXRJPKNYVKU-NSHDSACASA-N 0 0 314.341 2.472 50 0 DEAARN COc1ccc(C(C)=O)cc1NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000244574832 225215789 /nfs/dbraw/zinc/21/57/89/225215789.db2.gz CSCWNBJEMNSORS-JOCQHMNTSA-N 0 0 306.362 2.323 50 0 DEAARN Cc1ccccc1C[C@H](C)NC(=O)CCNC(=O)[C@H]1C[C@H]1C ZINC000241644700 225215810 /nfs/dbraw/zinc/21/58/10/225215810.db2.gz PSTRPMNAWBWISS-YCPHGPKFSA-N 0 0 302.418 2.205 50 0 DEAARN C[C@@H]1COCCN1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000252477210 225247495 /nfs/dbraw/zinc/24/74/95/225247495.db2.gz KBQSFQXWNKUSRY-DAXOMENPSA-N 0 0 322.380 2.476 50 0 DEAARN O=C(Nc1nc2ccccc2n1-c1ccccc1)[C@@H]1CCC(=O)N1 ZINC000069741306 418487555 /nfs/dbraw/zinc/48/75/55/418487555.db2.gz NETLKNREFGJNIG-AWEZNQCLSA-N 0 0 320.352 2.243 50 0 DEAARN Cc1nn(CC(=O)Nc2nnc3cc(C)ccn32)c(C)c1Cl ZINC000088254904 418492415 /nfs/dbraw/zinc/49/24/15/418492415.db2.gz WJLOVEUBLJMHMI-UHFFFAOYSA-N 0 0 318.768 2.143 50 0 DEAARN Cn1cc(Cl)cc1C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000408520471 227239507 /nfs/dbraw/zinc/23/95/07/227239507.db2.gz GXAWBKAPCYZRSQ-RISCZKNCSA-N 0 0 322.796 2.062 50 0 DEAARN Cn1cc(Cl)cc1C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000408520472 227239987 /nfs/dbraw/zinc/23/99/87/227239987.db2.gz GXAWBKAPCYZRSQ-SMDDNHRTSA-N 0 0 322.796 2.062 50 0 DEAARN Cc1ccccc1N1CCCN(C(=O)[C@@H]2CSCN2C)CC1 ZINC000095360371 292631238 /nfs/dbraw/zinc/63/12/38/292631238.db2.gz DTSUHCYPAJDUJR-INIZCTEOSA-N 0 0 319.474 2.038 50 0 DEAARN Cc1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cn1 ZINC000298968715 228855740 /nfs/dbraw/zinc/85/57/40/228855740.db2.gz NIDKEBXRVJEGGL-UHFFFAOYSA-N 0 0 315.398 2.050 50 0 DEAARN Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H](C)n1cc(Cl)cn1 ZINC000299803012 229463345 /nfs/dbraw/zinc/46/33/45/229463345.db2.gz UEWIBANLKUVSBX-LLVKDONJSA-N 0 0 309.801 2.139 50 0 DEAARN CCSc1nnc(NC(=O)c2c(Cl)cnn2C)s1 ZINC000006727153 262535672 /nfs/dbraw/zinc/53/56/72/262535672.db2.gz ZRHRWTCCGZMUCW-UHFFFAOYSA-N 0 0 303.800 2.289 50 0 DEAARN C[C@@H](NC(=O)N[C@@H](C)Cc1ccc(Cl)cc1)c1nncn1C ZINC000045608972 424817607 /nfs/dbraw/zinc/81/76/07/424817607.db2.gz YNUGDXBJDKKOQI-WDEREUQCSA-N 0 0 321.812 2.460 50 0 DEAARN Fc1ccccc1Cn1cc(Nc2ncnc3n[nH]cc32)cn1 ZINC000046087319 424819147 /nfs/dbraw/zinc/81/91/47/424819147.db2.gz GFEKYGMKFDKNAM-UHFFFAOYSA-N 0 0 309.308 2.480 50 0 DEAARN O=C(NOCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000046319763 424820851 /nfs/dbraw/zinc/82/08/51/424820851.db2.gz FEGOHKPTVKCZTI-OAHLLOKOSA-N 0 0 310.353 2.288 50 0 DEAARN CONC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000046562952 424821507 /nfs/dbraw/zinc/82/15/07/424821507.db2.gz LBBKPYNSLLIJNC-UHFFFAOYSA-N 0 0 300.343 2.287 50 0 DEAARN CC(C)CO[C@@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000047042361 424823219 /nfs/dbraw/zinc/82/32/19/424823219.db2.gz CIRUWJVRBCBUQS-LBPRGKRZSA-N 0 0 305.378 2.216 50 0 DEAARN COc1ccc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)cc1 ZINC000047170657 424824021 /nfs/dbraw/zinc/82/40/21/424824021.db2.gz FOSJMISEWOSGAG-UHFFFAOYSA-N 0 0 324.336 2.347 50 0 DEAARN O=C(NCCS(=O)(=O)c1ccccc1)c1ccccc1F ZINC000047386018 424825426 /nfs/dbraw/zinc/82/54/26/424825426.db2.gz VVQWAUAAIZOBEO-UHFFFAOYSA-N 0 0 307.346 2.029 50 0 DEAARN COc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cn1 ZINC000048018995 424829504 /nfs/dbraw/zinc/82/95/04/424829504.db2.gz FZZCVUHRLJOFGA-UHFFFAOYSA-N 0 0 315.329 2.183 50 0 DEAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)o1 ZINC000048260924 424830607 /nfs/dbraw/zinc/83/06/07/424830607.db2.gz YFQFUWARWNEMLF-BZPMIXESSA-N 0 0 319.405 2.152 50 0 DEAARN Cc1cc(C)n(-c2ccc(COC(=O)c3nccnc3N)cc2)n1 ZINC000048234445 424830965 /nfs/dbraw/zinc/83/09/65/424830965.db2.gz GUTGYNVGRINSGX-UHFFFAOYSA-N 0 0 323.356 2.218 50 0 DEAARN CCOc1ncccc1CNC(=O)N(CC)C[C@H]1CCOC1 ZINC000048311758 424831882 /nfs/dbraw/zinc/83/18/82/424831882.db2.gz ONMKRVAPYNZCTR-CYBMUJFWSA-N 0 0 307.394 2.048 50 0 DEAARN Cc1nnc([C@@H](C)OC(=O)/C=C/c2c(C)nn(C)c2Cl)o1 ZINC000048290401 424832275 /nfs/dbraw/zinc/83/22/75/424832275.db2.gz QJEVEGMTWZNPPZ-HQZHTGGTSA-N 0 0 310.741 2.391 50 0 DEAARN O=C(COCc1ccccc1)N1CCN(c2nccs2)CC1 ZINC000044894534 424813588 /nfs/dbraw/zinc/81/35/88/424813588.db2.gz HRBXYFQZJNUCLM-UHFFFAOYSA-N 0 0 317.414 2.009 50 0 DEAARN CCc1nn2c(nc(CN(C)Cc3ccsc3)cc2=O)s1 ZINC000044871800 424814121 /nfs/dbraw/zinc/81/41/21/424814121.db2.gz HYEQIMDYXJITAN-UHFFFAOYSA-N 0 0 320.443 2.407 50 0 DEAARN COc1ccc([C@H](C)NC(=O)CN2CCSC2=O)c(OC)c1 ZINC000044908990 424814293 /nfs/dbraw/zinc/81/42/93/424814293.db2.gz QYWPWERETJSMEI-JTQLQIEISA-N 0 0 324.402 2.050 50 0 DEAARN CCN(Cc1ccco1)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000044909322 424814295 /nfs/dbraw/zinc/81/42/95/424814295.db2.gz UCHJOYQXFNUJHN-UHFFFAOYSA-N 0 0 300.314 2.273 50 0 DEAARN C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000044912960 424814533 /nfs/dbraw/zinc/81/45/33/424814533.db2.gz SNSJESBNOSBXDY-KGLIPLIRSA-N 0 0 314.389 2.033 50 0 DEAARN COCCOc1ccc(CNC(=O)N2CCCC[C@H]2C)cn1 ZINC000044970335 424815214 /nfs/dbraw/zinc/81/52/14/424815214.db2.gz FGLYBMIQWILBER-CYBMUJFWSA-N 0 0 307.394 2.191 50 0 DEAARN C[C@H](C(=O)NCc1cccnc1OC1CCCC1)n1ccnc1 ZINC000044977704 424815367 /nfs/dbraw/zinc/81/53/67/424815367.db2.gz FGFZWILZKUTYRY-CYBMUJFWSA-N 0 0 314.389 2.477 50 0 DEAARN C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cncn3)nc2)C1 ZINC000044968722 424815440 /nfs/dbraw/zinc/81/54/40/424815440.db2.gz AICIIMZZRHXBAM-OCCSQVGLSA-N 0 0 314.393 2.040 50 0 DEAARN C[C@@H](SCc1ccccc1)C(=O)NCCNc1ncccn1 ZINC000048355116 424832444 /nfs/dbraw/zinc/83/24/44/424832444.db2.gz LLFWDDKNJWGMKZ-CYBMUJFWSA-N 0 0 316.430 2.327 50 0 DEAARN CCC[C@H](C)NC(=O)CN1CCN(c2ccccc2F)CC1 ZINC000048614353 424834786 /nfs/dbraw/zinc/83/47/86/424834786.db2.gz RFRGVBVDHCICNI-AWEZNQCLSA-N 0 0 307.413 2.253 50 0 DEAARN CCCCOc1ccc([C@@H](C)NS(C)(=O)=O)cc1OC ZINC000048671680 424835156 /nfs/dbraw/zinc/83/51/56/424835156.db2.gz GRNJPOIXEIDFND-LLVKDONJSA-N 0 0 301.408 2.484 50 0 DEAARN O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101361124 424846514 /nfs/dbraw/zinc/84/65/14/424846514.db2.gz YESRZUNGJBNCHD-GOEBONIOSA-N 0 0 324.311 2.114 50 0 DEAARN O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1CCCn1ccnc1 ZINC000102193243 424847426 /nfs/dbraw/zinc/84/74/26/424847426.db2.gz KARHQFUJADFRKY-CQSZACIVSA-N 0 0 315.348 2.030 50 0 DEAARN CS[C@@H]1CCCC[C@H]1NC(=O)NC[C@](C)(O)c1ccco1 ZINC000108090312 424850853 /nfs/dbraw/zinc/85/08/53/424850853.db2.gz RWWDNYHOPWJHCQ-JMSVASOKSA-N 0 0 312.435 2.461 50 0 DEAARN C[C@@H](NC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)NC1CCCC1 ZINC000108079160 424850874 /nfs/dbraw/zinc/85/08/74/424850874.db2.gz DXRGHRFKKMVSFP-NFAWXSAZSA-N 0 0 310.438 2.145 50 0 DEAARN O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CN1CCOCC1 ZINC000108176304 424851109 /nfs/dbraw/zinc/85/11/09/424851109.db2.gz PPZSPQYXFWAOCO-LCYFTJDESA-N 0 0 322.361 2.152 50 0 DEAARN C[C@H](CC[C@@H]1CCCO1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000108099857 424851135 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COC(=O)c1cccc2c1CCCN2C(=O)c1cnc(C)cn1 ZINC000025190045 277164091 /nfs/dbraw/zinc/16/40/91/277164091.db2.gz GVGLZQCWQREIQK-UHFFFAOYSA-N 0 0 311.341 2.165 50 0 DEAARN COC(=O)c1cccc2c1OCCN2C(=O)c1csnc1C ZINC000183481561 277164755 /nfs/dbraw/zinc/16/47/55/277164755.db2.gz YLXMIIRTPRXALT-UHFFFAOYSA-N 0 0 318.354 2.277 50 0 DEAARN CC(C)(C)OC(=O)NCC(=O)Nc1ccnn1C1CCCC1 ZINC000069530342 277197766 /nfs/dbraw/zinc/19/77/66/277197766.db2.gz UBGYXJVITKYVHQ-UHFFFAOYSA-N 0 0 308.382 2.461 50 0 DEAARN COc1cc([C@@H]2CC(=O)Nc3c2nc2n3CCCC2)ccc1O ZINC000067894901 277388247 /nfs/dbraw/zinc/38/82/47/277388247.db2.gz BDVUIYISQMEMAR-NSHDSACASA-N 0 0 313.357 2.408 50 0 DEAARN CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000042796511 278004591 /nfs/dbraw/zinc/00/45/91/278004591.db2.gz PNJZLOLILINYMQ-HZPDHXFCSA-N 0 0 301.390 2.004 50 0 DEAARN CC(C)c1cc(C(=O)Nc2n[nH]cc2Br)nn1C ZINC000293959208 278018112 /nfs/dbraw/zinc/01/81/12/278018112.db2.gz PTMDVTTYPICOHE-UHFFFAOYSA-N 0 0 312.171 2.281 50 0 DEAARN CC(C)c1cc(C(=O)Nc2nncs2)nc(N2CCCC2)n1 ZINC000096101245 278018367 /nfs/dbraw/zinc/01/83/67/278018367.db2.gz YNLVLWNHHFMGJZ-UHFFFAOYSA-N 0 0 318.406 2.304 50 0 DEAARN COc1ccccc1N1CCn2c(nc3cc(C(N)=O)ccc32)C1 ZINC000020736832 278056331 /nfs/dbraw/zinc/05/63/31/278056331.db2.gz WWINZGDLSROBTO-UHFFFAOYSA-N 0 0 322.368 2.164 50 0 DEAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCCC2)c1 ZINC000010032427 278185573 /nfs/dbraw/zinc/18/55/73/278185573.db2.gz SEJGLLIDFDIMKM-UHFFFAOYSA-N 0 0 303.362 2.230 50 0 DEAARN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000040554301 278251897 /nfs/dbraw/zinc/25/18/97/278251897.db2.gz BSRWZHLYQMQZMB-HOTGVXAUSA-N 0 0 323.414 2.221 50 0 DEAARN C[C@@H](NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1)c1ccco1 ZINC000077656243 278322193 /nfs/dbraw/zinc/32/21/93/278322193.db2.gz WBIBFGOIIQSOQG-DYVFJYSZSA-N 0 0 308.422 2.378 50 0 DEAARN C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)c2ccccc2O1 ZINC000041157565 278439049 /nfs/dbraw/zinc/43/90/49/278439049.db2.gz NWRXKITWFAWRHP-NSHDSACASA-N 0 0 304.371 2.245 50 0 DEAARN CC(C)CN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2 ZINC000057531446 278867211 /nfs/dbraw/zinc/86/72/11/278867211.db2.gz XNCVJRBTXCOOLY-CQSZACIVSA-N 0 0 319.792 2.446 50 0 DEAARN Cc1nccnc1N1CCC[C@]2(CCC(=O)N(C(C)C)C2)C1 ZINC000082161271 279174162 /nfs/dbraw/zinc/17/41/62/279174162.db2.gz UGOGOEOKGPOUCZ-KRWDZBQOSA-N 0 0 302.422 2.402 50 0 DEAARN Cc1nnc(-n2nccc2/C=C/c2ccc(Cl)cc2)n1N ZINC000005669844 279219137 /nfs/dbraw/zinc/21/91/37/279219137.db2.gz URCCHXYPIIPBBA-QPJJXVBHSA-N 0 0 300.753 2.310 50 0 DEAARN Cn1cc(C(=O)N2CCN(CC3CC3)c3ccccc32)ccc1=O ZINC000073304298 279328377 /nfs/dbraw/zinc/32/83/77/279328377.db2.gz XUXHGSFJDQEPMB-UHFFFAOYSA-N 0 0 323.396 2.262 50 0 DEAARN Cn1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)n1 ZINC000048234537 279365019 /nfs/dbraw/zinc/36/50/19/279365019.db2.gz LZXSENBLYLUEBY-UHFFFAOYSA-N 0 0 302.359 2.107 50 0 DEAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccsc1 ZINC000008232985 279581758 /nfs/dbraw/zinc/58/17/58/279581758.db2.gz MWQKYXAUFHIEMR-HNNXBMFYSA-N 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O=C(CSc1nccn1C1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000053717121 402059463 /nfs/dbraw/zinc/05/94/63/402059463.db2.gz OLPVDWWQMMMWBY-KBPBESRZSA-N 0 0 321.446 2.480 50 0 DEAARN CCc1cnc(N)nc1NCCn1nc(C(F)(F)F)cc1C ZINC000095353141 402026483 /nfs/dbraw/zinc/02/64/83/402026483.db2.gz QHHKWHUPWXEUCS-UHFFFAOYSA-N 0 0 314.315 2.257 50 0 DEAARN CC[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nccs1 ZINC000095359805 402028019 /nfs/dbraw/zinc/02/80/19/402028019.db2.gz JLRNPUWYWGNGAS-ZDUSSCGKSA-N 0 0 321.446 2.359 50 0 DEAARN CN(CCOc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000095377488 402029659 /nfs/dbraw/zinc/02/96/59/402029659.db2.gz UJPBWCPSBBNTKJ-OAHLLOKOSA-N 0 0 319.426 2.338 50 0 DEAARN Cc1cccc([C@H](C(=O)NC2(CO)CCCCC2)N(C)C)c1 ZINC000095373713 402029890 /nfs/dbraw/zinc/02/98/90/402029890.db2.gz KAIOHLKFILIOSC-MRXNPFEDSA-N 0 0 304.434 2.409 50 0 DEAARN CN(C)[C@H](C(=O)NCCc1ccc(O)cc1)c1ccc(F)cc1 ZINC000095374367 402029980 /nfs/dbraw/zinc/02/99/80/402029980.db2.gz OWIIDTKLEOSEQA-KRWDZBQOSA-N 0 0 316.376 2.493 50 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313.405 2.221 50 0 DEAARN C[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)C(C)(C)CO1 ZINC000095940458 402035156 /nfs/dbraw/zinc/03/51/56/402035156.db2.gz YFOMQHCHZTZMRQ-NSHDSACASA-N 0 0 324.402 2.157 50 0 DEAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(C)[nH]n1 ZINC000095953025 402036102 /nfs/dbraw/zinc/03/61/02/402036102.db2.gz UKYAAIHBTVZXED-HNNXBMFYSA-N 0 0 312.373 2.193 50 0 DEAARN C[C@H](Nc1cncc(Br)c1)[C@H](C)N1CCOCC1 ZINC000095961977 402037408 /nfs/dbraw/zinc/03/74/08/402037408.db2.gz VDZYDDNOFAQWIV-QWRGUYRKSA-N 0 0 314.227 2.365 50 0 DEAARN CN(CCn1cnnc1)Cc1sccc1Br ZINC000095965204 402037904 /nfs/dbraw/zinc/03/79/04/402037904.db2.gz UWRQLWNTUDQHRX-UHFFFAOYSA-N 0 0 301.213 2.234 50 0 DEAARN CC(C)N(C)c1ccc(NC(=O)CCn2cnnc2)cc1F ZINC000095974579 402039659 /nfs/dbraw/zinc/03/96/59/402039659.db2.gz JAFBXIZGHLZXJK-UHFFFAOYSA-N 0 0 305.357 2.291 50 0 DEAARN C[C@H](COc1cccc(F)c1)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000095974438 402039828 /nfs/dbraw/zinc/03/98/28/402039828.db2.gz AZCUTKZPTHSESS-IOASZLSFSA-N 0 0 324.396 2.395 50 0 DEAARN COC(=O)[C@H](O)C1CCN(Cc2csc(C(C)C)n2)CC1 ZINC000095972749 402039872 /nfs/dbraw/zinc/03/98/72/402039872.db2.gz JQLKMNCZMXKAGM-CYBMUJFWSA-N 0 0 312.435 2.012 50 0 DEAARN C[C@H](C(=O)NC[C@H](C)Nc1ccccc1)N1CCSCC1 ZINC000095978935 402040745 /nfs/dbraw/zinc/04/07/45/402040745.db2.gz ZXMXJOFNDAWYDD-UONOGXRCSA-N 0 0 307.463 2.041 50 0 DEAARN Cc1ccnc([C@@H](NC(=O)c2ccn3ccnc3c2)C2CC2)n1 ZINC000095979737 402040980 /nfs/dbraw/zinc/04/09/80/402040980.db2.gz MYUJJTITXNIJFZ-HNNXBMFYSA-N 0 0 307.357 2.314 50 0 DEAARN Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000095980386 402041414 /nfs/dbraw/zinc/04/14/14/402041414.db2.gz MDMZMJCDCDOKHI-LBPRGKRZSA-N 0 0 324.384 2.419 50 0 DEAARN O=C(c1cccc(-n2cccc2)c1)N1CCOC[C@@H]1c1ncon1 ZINC000095981343 402041664 /nfs/dbraw/zinc/04/16/64/402041664.db2.gz ZRQACXUPDYQMRV-OAHLLOKOSA-N 0 0 324.340 2.074 50 0 DEAARN Cc1cccc(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)n1 ZINC000095991328 402043966 /nfs/dbraw/zinc/04/39/66/402043966.db2.gz 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/nfs/dbraw/zinc/05/09/36/402050936.db2.gz WWTCANVYFJCGAM-VXGBXAGGSA-N 0 0 324.446 2.066 50 0 DEAARN CC(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000053356568 402054557 /nfs/dbraw/zinc/05/45/57/402054557.db2.gz DERKARLYZJKOSB-UHFFFAOYSA-N 0 0 313.357 2.036 50 0 DEAARN O=C(CCCn1cncn1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000053369626 402054994 /nfs/dbraw/zinc/05/49/94/402054994.db2.gz HZQUIIZLTKBJRO-AWEZNQCLSA-N 0 0 318.352 2.228 50 0 DEAARN Cc1cc([C@H]2CCCN2C(=O)CCCc2nc(C)no2)on1 ZINC000053402341 402055723 /nfs/dbraw/zinc/05/57/23/402055723.db2.gz AUZBBVHKJIPVHK-GFCCVEGCSA-N 0 0 304.350 2.361 50 0 DEAARN O=S(=O)(Nc1cnn(C2CCOCC2)c1)C1CCCCC1 ZINC000096123408 402061012 /nfs/dbraw/zinc/06/10/12/402061012.db2.gz RXXLWLWXFJIYTD-UHFFFAOYSA-N 0 0 313.423 2.309 50 0 DEAARN CN(C)[C@H](C(=O)NCc1ccc(O)cc1)c1ccccc1F ZINC000092028737 402000033 /nfs/dbraw/zinc/00/00/33/402000033.db2.gz IPZNBJXCLVFASO-INIZCTEOSA-N 0 0 302.349 2.450 50 0 DEAARN CC(C)n1cc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)cn1 ZINC000096101498 402058353 /nfs/dbraw/zinc/05/83/53/402058353.db2.gz HVLIPWMJFGDYNN-CQSZACIVSA-N 0 0 318.421 2.075 50 0 DEAARN O=C(/C=C\c1ccco1)NCCC(=O)NCCc1cccs1 ZINC000048557239 402002001 /nfs/dbraw/zinc/00/20/01/402002001.db2.gz LQISYHMLZZVPOE-WAYWQWQTSA-N 0 0 318.398 2.220 50 0 DEAARN Cn1nc(CNC(=O)COc2ccccc2F)c2c1CCCC2 ZINC000096099122 402058435 /nfs/dbraw/zinc/05/84/35/402058435.db2.gz HYEXPASGPSXFJP-UHFFFAOYSA-N 0 0 317.364 2.133 50 0 DEAARN O=S(=O)(NCCSc1ccc(O)cc1)c1ccccc1 ZINC000048873187 402008589 /nfs/dbraw/zinc/00/85/89/402008589.db2.gz LRRSHOOEYGNADQ-UHFFFAOYSA-N 0 0 309.412 2.463 50 0 DEAARN COc1nn(C)cc1C(=O)Nc1ccc(-c2nc(C)no2)cc1 ZINC000049027294 402010747 /nfs/dbraw/zinc/01/07/47/402010747.db2.gz GTONSXPQDRLZPH-UHFFFAOYSA-N 0 0 313.317 2.039 50 0 DEAARN CNC(=O)c1[nH]nc2c1CN(Cc1cccc(SC)c1)CC2 ZINC000097244160 402119824 /nfs/dbraw/zinc/11/98/24/402119824.db2.gz MVDPMTWFFKIPJV-UHFFFAOYSA-N 0 0 316.430 2.050 50 0 DEAARN CCCNC(=O)CN(C)C(=O)c1cc(Cl)cc2cccnc21 ZINC000054973349 402073142 /nfs/dbraw/zinc/07/31/42/402073142.db2.gz OAFLHYUJSURRMW-UHFFFAOYSA-N 0 0 319.792 2.486 50 0 DEAARN O=C(NCCc1nc2ccccc2[nH]1)c1n[nH]c2c1CCCC2 ZINC000096231957 402073299 /nfs/dbraw/zinc/07/32/99/402073299.db2.gz FCTNJURTCCHMGZ-UHFFFAOYSA-N 0 0 309.373 2.137 50 0 DEAARN COC(=O)C[C@H](c1ccncc1)c1c2[nH]snc-2ccc1=O ZINC000096232376 402073331 /nfs/dbraw/zinc/07/33/31/402073331.db2.gz STEIAKIVDQSMQZ-SNVBAGLBSA-N 0 0 315.354 2.487 50 0 DEAARN Cc1ccc(/C=C\C(=O)NCCC(=O)Nc2ccc(C)cn2)o1 ZINC000096256362 402075347 /nfs/dbraw/zinc/07/53/47/402075347.db2.gz NCXYWFQSQDRAMC-VURMDHGXSA-N 0 0 313.357 2.450 50 0 DEAARN COC(=O)NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000055096579 402075748 /nfs/dbraw/zinc/07/57/48/402075748.db2.gz TUHZBSQNWXZYKB-UHFFFAOYSA-N 0 0 320.345 2.413 50 0 DEAARN O=C(Cn1c(=O)sc2c1CCCCC2)NC(C1CC1)C1CC1 ZINC000096405947 402078293 /nfs/dbraw/zinc/07/82/93/402078293.db2.gz WXDPIFREKJKFED-UHFFFAOYSA-N 0 0 320.458 2.484 50 0 DEAARN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000096406669 402078968 /nfs/dbraw/zinc/07/89/68/402078968.db2.gz ZAFRJGQPIXZPPM-UHFFFAOYSA-N 0 0 322.430 2.160 50 0 DEAARN Cc1cccc(N2CCC(NC(=O)N3CCSCC3)CC2)n1 ZINC000096408942 402079213 /nfs/dbraw/zinc/07/92/13/402079213.db2.gz UHOHPJMUIJCHNX-UHFFFAOYSA-N 0 0 320.462 2.117 50 0 DEAARN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CCCNC(=O)C1CC1 ZINC000096411305 402079744 /nfs/dbraw/zinc/07/97/44/402079744.db2.gz FUEDOBSMQMDLNW-ZBFHGGJFSA-N 0 0 324.465 2.250 50 0 DEAARN Cc1cc(C)c2c(c1)nc(C)cc2C(=O)NCCc1ncnn1C ZINC000055326229 402079944 /nfs/dbraw/zinc/07/99/44/402079944.db2.gz ZREGNLTYBPIOGT-UHFFFAOYSA-N 0 0 323.400 2.261 50 0 DEAARN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 ZINC000096411294 402079980 /nfs/dbraw/zinc/07/99/80/402079980.db2.gz FNFXZKZRXARYQB-ZWNOBZJWSA-N 0 0 324.446 2.418 50 0 DEAARN Cc1cccc(C(C)(C)NC(=O)CS(=O)(=O)CC(C)C)c1 ZINC000096412119 402080115 /nfs/dbraw/zinc/08/01/15/402080115.db2.gz FXGRNFJPRBZBFY-UHFFFAOYSA-N 0 0 311.447 2.417 50 0 DEAARN C[C@H](C(=O)N(C)C)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000096415724 402080841 /nfs/dbraw/zinc/08/08/41/402080841.db2.gz LLPIOTHOZRIAPQ-OCCSQVGLSA-N 0 0 306.381 2.197 50 0 DEAARN Cc1ncsc1CNC(=O)NC[C@](C)(O)c1cccs1 ZINC000096417724 402081648 /nfs/dbraw/zinc/08/16/48/402081648.db2.gz NNWYBRWNFYZJJO-ZDUSSCGKSA-N 0 0 311.432 2.220 50 0 DEAARN Cc1cc(C(=O)NC[C@@H](O)c2nccn2C)c2cccc(C)c2n1 ZINC000055401343 402081664 /nfs/dbraw/zinc/08/16/64/402081664.db2.gz PLZWOKUODNYZEN-OAHLLOKOSA-N 0 0 324.384 2.049 50 0 DEAARN COc1ccc(NC(=O)[C@H]2CCCO2)c(NC(=O)C(C)C)c1 ZINC000055413444 402081669 /nfs/dbraw/zinc/08/16/69/402081669.db2.gz WRZGYMBQSANAFO-CQSZACIVSA-N 0 0 306.362 2.407 50 0 DEAARN O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000055416490 402081943 /nfs/dbraw/zinc/08/19/43/402081943.db2.gz HQLLILPVBFLNFH-HIFRSBDPSA-N 0 0 311.385 2.489 50 0 DEAARN Cc1noc(-c2ccnc(N3CCC4(CC3)OC[C@H](C)O4)c2)n1 ZINC000096419435 402082014 /nfs/dbraw/zinc/08/20/14/402082014.db2.gz GMXIYBRFMQQNGB-NSHDSACASA-N 0 0 316.361 2.172 50 0 DEAARN CN(C)C(=O)CNC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000096420273 402082025 /nfs/dbraw/zinc/08/20/25/402082025.db2.gz KWOWSDSNTBMNPC-UHFFFAOYSA-N 0 0 318.421 2.277 50 0 DEAARN CN([C@@H]1[C@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)c1cccs1 ZINC000096419776 402082129 /nfs/dbraw/zinc/08/21/29/402082129.db2.gz ROWPCBZKWBEWOS-JLLWLGSASA-N 0 0 301.433 2.182 50 0 DEAARN CCOC(=O)C1(NCc2cccc(C(=O)NC)c2)CCCCC1 ZINC000096424457 402083574 /nfs/dbraw/zinc/08/35/74/402083574.db2.gz IFQHPUYEJGWCTJ-UHFFFAOYSA-N 0 0 318.417 2.402 50 0 DEAARN CC(C)n1cc(S(=O)(=O)N2CCOc3ccccc3C2)cn1 ZINC000096427762 402084087 /nfs/dbraw/zinc/08/40/87/402084087.db2.gz BYMYBAFNBCCKDJ-UHFFFAOYSA-N 0 0 321.402 2.047 50 0 DEAARN O=S(=O)(Cc1ccon1)N[C@@H]1CCC[C@H]1Oc1ccccc1 ZINC000096427998 402084808 /nfs/dbraw/zinc/08/48/08/402084808.db2.gz IRKSXDJUUCDHLZ-HUUCEWRRSA-N 0 0 322.386 2.094 50 0 DEAARN COC(=O)c1ncn(Cc2ccccc2OCC(F)(F)F)n1 ZINC000096430173 402085065 /nfs/dbraw/zinc/08/50/65/402085065.db2.gz UCHAECSQDFFTPG-UHFFFAOYSA-N 0 0 315.251 2.054 50 0 DEAARN Cc1ccc(-c2cnc(Cn3cnnc3[S@](C)=O)o2)cc1 ZINC000096430183 402085464 /nfs/dbraw/zinc/08/54/64/402085464.db2.gz MVQPBDMSNXYUNJ-OAQYLSRUSA-N 0 0 302.359 2.027 50 0 DEAARN Cc1occc1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000096432142 402085883 /nfs/dbraw/zinc/08/58/83/402085883.db2.gz GBEOPZVTYKXBKD-OIISXLGYSA-N 0 0 324.380 2.475 50 0 DEAARN Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc[nH]c2=O)o1 ZINC000096431948 402085946 /nfs/dbraw/zinc/08/59/46/402085946.db2.gz QATUPZVVXVLRNR-LBPRGKRZSA-N 0 0 304.371 2.207 50 0 DEAARN CCCc1nnc(NC(=O)NC[C@@](C)(O)c2ccc(C)o2)s1 ZINC000096433823 402086219 /nfs/dbraw/zinc/08/62/19/402086219.db2.gz WQEXYDRGZUVZNQ-CQSZACIVSA-N 0 0 324.406 2.421 50 0 DEAARN Cc1ccccc1O[C@@H](C)CNC(=O)Nc1cccn(C)c1=O ZINC000096435168 402086266 /nfs/dbraw/zinc/08/62/66/402086266.db2.gz OYCDWBMJTYEMCM-ZDUSSCGKSA-N 0 0 315.373 2.283 50 0 DEAARN O=C(NCc1ccc(-c2cc[nH]n2)cc1)c1nccn2ccnc12 ZINC000096436131 402086349 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ZINC000096449788 402089909 /nfs/dbraw/zinc/08/99/09/402089909.db2.gz MSQSZHDZTQENBW-UHFFFAOYSA-N 0 0 300.362 2.099 50 0 DEAARN CC(C)N1C(=O)CN(C(=O)CC[C@H]2CCCOC2)CC1(C)C ZINC000096449870 402090051 /nfs/dbraw/zinc/09/00/51/402090051.db2.gz OXMHLGYKEBUQDF-CQSZACIVSA-N 0 0 310.438 2.051 50 0 DEAARN Cc1ccc(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)cc1C ZINC000096451857 402090211 /nfs/dbraw/zinc/09/02/11/402090211.db2.gz BEFXWIIYDRRHDD-UHFFFAOYSA-N 0 0 323.336 2.098 50 0 DEAARN CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1(CC)CC ZINC000096454641 402090731 /nfs/dbraw/zinc/09/07/31/402090731.db2.gz VGPHWKKGOGRYKY-KGLIPLIRSA-N 0 0 306.406 2.397 50 0 DEAARN O=S(=O)(NCCc1c[nH]c2cc(F)ccc12)c1cccnc1 ZINC000096453002 402090756 /nfs/dbraw/zinc/09/07/56/402090756.db2.gz XROOSRDGYXGKAQ-UHFFFAOYSA-N 0 0 319.361 2.223 50 0 DEAARN Cc1ccc(C(=O)NC[C@@H]2SCCc3ccccc32)c(=O)[nH]1 ZINC000096454671 402090929 /nfs/dbraw/zinc/09/09/29/402090929.db2.gz WYNYPCURKGMQRQ-HNNXBMFYSA-N 0 0 314.410 2.444 50 0 DEAARN Cc1cc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)ccc1F ZINC000096459928 402092021 /nfs/dbraw/zinc/09/20/21/402092021.db2.gz QUAPYZIXVNCPCO-VXGBXAGGSA-N 0 0 300.351 2.257 50 0 DEAARN Cc1nn(C)c(C)c1OCC(=O)Nc1ccnn1C1CCCC1 ZINC000096462839 402092719 /nfs/dbraw/zinc/09/27/19/402092719.db2.gz LDKZOAXVXSQQIS-UHFFFAOYSA-N 0 0 317.393 2.366 50 0 DEAARN CCC1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCCC1 ZINC000096473613 402092798 /nfs/dbraw/zinc/09/27/98/402092798.db2.gz HHPXEIOTORUTDP-UHFFFAOYSA-N 0 0 316.467 2.175 50 0 DEAARN Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnn(C)c1)C(F)(F)F ZINC000096474049 402093071 /nfs/dbraw/zinc/09/30/71/402093071.db2.gz XJSHTNMQJKNCIQ-NSHDSACASA-N 0 0 316.283 2.231 50 0 DEAARN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccnc1 ZINC000096475187 402093372 /nfs/dbraw/zinc/09/33/72/402093372.db2.gz IWQVDUOOTQTISV-XJKSGUPXSA-N 0 0 312.373 2.401 50 0 DEAARN O=C(Nc1ccn(Cc2ccccc2)n1)c1cn2cccnc2n1 ZINC000057184477 402093375 /nfs/dbraw/zinc/09/33/75/402093375.db2.gz RERIJZFPAVYEAD-UHFFFAOYSA-N 0 0 318.340 2.226 50 0 DEAARN O=C([C@H]1CCCN1c1nc2ccccc2[nH]1)N1CCSCC1 ZINC000096485851 402094621 /nfs/dbraw/zinc/09/46/21/402094621.db2.gz JVPPXCPJICKPAH-CQSZACIVSA-N 0 0 316.430 2.107 50 0 DEAARN O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1OCCc2ccccc21 ZINC000096487692 402095294 /nfs/dbraw/zinc/09/52/94/402095294.db2.gz ZLKGGTJJHPWQTL-AEFFLSMTSA-N 0 0 311.381 2.020 50 0 DEAARN C[C@H](NCc1nnc(C2CC2)o1)c1ccc(-n2ccnn2)cc1 ZINC000096492458 402095788 /nfs/dbraw/zinc/09/57/88/402095788.db2.gz CSLFBRUSIUIXGO-NSHDSACASA-N 0 0 310.361 2.379 50 0 DEAARN Cc1cc(NC(=O)N2CCCN(CC(F)(F)F)CC2)ccn1 ZINC000096489198 402096092 /nfs/dbraw/zinc/09/60/92/402096092.db2.gz AJPVDVQYEIKONA-UHFFFAOYSA-N 0 0 316.327 2.492 50 0 DEAARN Cc1cccc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1C ZINC000057818620 402096595 /nfs/dbraw/zinc/09/65/95/402096595.db2.gz ZSIPARZMHBQZQT-OAHLLOKOSA-N 0 0 301.434 2.093 50 0 DEAARN CCc1cc(C(=O)Nc2cccc(C(=O)OC)c2)nc2ccnn21 ZINC000064760700 402121315 /nfs/dbraw/zinc/12/13/15/402121315.db2.gz NAHPUPAXGBWFGA-UHFFFAOYSA-N 0 0 324.340 2.331 50 0 DEAARN Fc1ccccc1N1CCN(Cn2nnc3ccccc32)CC1 ZINC000057999879 402098148 /nfs/dbraw/zinc/09/81/48/402098148.db2.gz SVEHXZKWABDOFS-UHFFFAOYSA-N 0 0 311.364 2.350 50 0 DEAARN CCCCNC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000058158041 402098901 /nfs/dbraw/zinc/09/89/01/402098901.db2.gz WFRZDWXXHAHOIB-UHFFFAOYSA-N 0 0 309.841 2.378 50 0 DEAARN O=C(Nc1cccnc1N1CCCCC1)c1cn2cccnc2n1 ZINC000058249903 402099367 /nfs/dbraw/zinc/09/93/67/402099367.db2.gz AEPDWBMFXGLVPY-UHFFFAOYSA-N 0 0 322.372 2.367 50 0 DEAARN CC1CCC2(CC1)OC[C@H](CNC(=O)c1cncc(F)c1)O2 ZINC000097037719 402101543 /nfs/dbraw/zinc/10/15/43/402101543.db2.gz XWPQTFHHCYBPQV-WMEQCIOUSA-N 0 0 308.353 2.272 50 0 DEAARN Cc1ccc(Cn2nccc2NC2CCN(C(N)=O)CC2)s1 ZINC000097045217 402102017 /nfs/dbraw/zinc/10/20/17/402102017.db2.gz PDPOBQDJYFBERR-UHFFFAOYSA-N 0 0 319.434 2.256 50 0 DEAARN Cc1nn(C[C@H](O)COCc2ccco2)cc1Br ZINC000097052850 402103462 /nfs/dbraw/zinc/10/34/62/402103462.db2.gz LCGZDWJFYAYWJU-JTQLQIEISA-N 0 0 315.167 2.125 50 0 DEAARN Cc1ccc(C)c(OC[C@@H](O)Cn2cnc(C)c(C)c2=O)c1C ZINC000097082260 402104810 /nfs/dbraw/zinc/10/48/10/402104810.db2.gz ACKDSZCDHSPTCU-INIZCTEOSA-N 0 0 316.401 2.225 50 0 DEAARN Brc1cnn(CC2CCN(Cc3cc[nH]n3)CC2)c1 ZINC000097084975 402105517 /nfs/dbraw/zinc/10/55/17/402105517.db2.gz AMPIVISAXGCUAU-UHFFFAOYSA-N 0 0 324.226 2.281 50 0 DEAARN Nc1ccc(CN2CCN(c3cc(F)ccc3F)CC2)cn1 ZINC000097095760 402106644 /nfs/dbraw/zinc/10/66/44/402106644.db2.gz CRBPJHREEMJVEM-UHFFFAOYSA-N 0 0 304.344 2.264 50 0 DEAARN COc1cc(COC(=O)c2cnc3c(c2)ncn3C)ccc1F ZINC000097101460 402107139 /nfs/dbraw/zinc/10/71/39/402107139.db2.gz CURPQTJWSHHWKZ-UHFFFAOYSA-N 0 0 315.304 2.473 50 0 DEAARN O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1CO ZINC000097102517 402107154 /nfs/dbraw/zinc/10/71/54/402107154.db2.gz MXIATJHCHJVEHC-NWDGAFQWSA-N 0 0 304.173 2.010 50 0 DEAARN CCS(=O)(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC000097098482 402107178 /nfs/dbraw/zinc/10/71/78/402107178.db2.gz XNHRSMOLSMKUIC-UHFFFAOYSA-N 0 0 315.395 2.472 50 0 DEAARN CCc1cnc(NC(=O)N[C@@H](CO)Cc2ccccc2)s1 ZINC000097099227 402107288 /nfs/dbraw/zinc/10/72/88/402107288.db2.gz AERCMTUOHORJGW-GFCCVEGCSA-N 0 0 305.403 2.431 50 0 DEAARN Cc1cc(N2CCC[C@H]2C(=O)NC2CC2)ncc1Br ZINC000097104459 402107483 /nfs/dbraw/zinc/10/74/83/402107483.db2.gz ADHOWWANSBLGCA-LBPRGKRZSA-N 0 0 324.222 2.400 50 0 DEAARN Cc1ccc2ncnc(NCCC(=O)NCc3ccccn3)c2c1 ZINC000097108423 402108229 /nfs/dbraw/zinc/10/82/29/402108229.db2.gz DVTGAYDHWXKWKO-UHFFFAOYSA-N 0 0 321.384 2.452 50 0 DEAARN Cc1nn(C)cc1CN1CCN(CC(F)(F)F)CC1(C)C ZINC000097139477 402110134 /nfs/dbraw/zinc/11/01/34/402110134.db2.gz DVQIXLMTAAFFNY-UHFFFAOYSA-N 0 0 304.360 2.187 50 0 DEAARN O=C(Nc1ccncc1F)N[C@H]1CCN(c2ccccn2)C1 ZINC000097135827 402110439 /nfs/dbraw/zinc/11/04/39/402110439.db2.gz ZBXQMBWTYJGXMP-NSHDSACASA-N 0 0 301.325 2.016 50 0 DEAARN O=C(C1CC1)N1CCCN(c2cncc(Br)c2)CC1 ZINC000152824928 402110954 /nfs/dbraw/zinc/11/09/54/402110954.db2.gz ZXNAIJPZCXOGKY-UHFFFAOYSA-N 0 0 324.222 2.293 50 0 DEAARN C[C@H](NS(=O)(=O)c1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000097147072 402112095 /nfs/dbraw/zinc/11/20/95/402112095.db2.gz MYIILYYLMICRGD-IUCAKERBSA-N 0 0 307.774 2.182 50 0 DEAARN O=C([C@@H]1CCCCN1Cc1cccnc1)N1CCc2cnccc21 ZINC000097163992 402113451 /nfs/dbraw/zinc/11/34/51/402113451.db2.gz NHOGWQGBKVNYAS-SFHVURJKSA-N 0 0 322.412 2.420 50 0 DEAARN CCc1nnc2n1C[C@@H](Nc1nccc(C(F)(F)F)n1)CC2 ZINC000097199281 402115055 /nfs/dbraw/zinc/11/50/55/402115055.db2.gz LPDSMFZGEZNUIZ-QMMMGPOBSA-N 0 0 312.299 2.076 50 0 DEAARN Cc1nnc2n1C[C@@H](NC(=O)CCCc1cccs1)CC2 ZINC000097198480 402115292 /nfs/dbraw/zinc/11/52/92/402115292.db2.gz MUNFBYALKUXULH-LBPRGKRZSA-N 0 0 304.419 2.102 50 0 DEAARN c1coc(-c2noc(CN3CCO[C@H](c4nccs4)C3)n2)c1 ZINC000097199873 402116417 /nfs/dbraw/zinc/11/64/17/402116417.db2.gz RSBLCORZOBITDL-NSHDSACASA-N 0 0 318.358 2.360 50 0 DEAARN c1nnnn1[C@@H](c1n[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000063870071 402116695 /nfs/dbraw/zinc/11/66/95/402116695.db2.gz BBLOXUSHJVIKLD-CQSZACIVSA-N 0 0 303.329 2.096 50 0 DEAARN C[C@H]1CCc2ccccc2N1C(=O)CN1CCn2ccnc2C1 ZINC000097201242 402116715 /nfs/dbraw/zinc/11/67/15/402116715.db2.gz JGSPAFFBRONCSM-AWEZNQCLSA-N 0 0 310.401 2.067 50 0 DEAARN COc1ncnc2c1CN(Cc1ncc(C(C)(C)C)o1)CC2 ZINC000097201865 402116844 /nfs/dbraw/zinc/11/68/44/402116844.db2.gz OVMFCUXIRFFKPM-UHFFFAOYSA-N 0 0 302.378 2.329 50 0 DEAARN O[C@H](COc1cccc2ccccc21)CN1CCn2ccnc2C1 ZINC000097201355 402116933 /nfs/dbraw/zinc/11/69/33/402116933.db2.gz GXFLMEAYRKSJSZ-INIZCTEOSA-N 0 0 323.396 2.292 50 0 DEAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H](C)CO ZINC000097204488 402117388 /nfs/dbraw/zinc/11/73/88/402117388.db2.gz BCBKFBPRPQECCM-GFCCVEGCSA-N 0 0 324.384 2.229 50 0 DEAARN Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cn1 ZINC000097233531 402119029 /nfs/dbraw/zinc/11/90/29/402119029.db2.gz NBYULVOCECXZFZ-LLVKDONJSA-N 0 0 322.771 2.221 50 0 DEAARN Cc1ccc(C(=O)N2CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000097235442 402119072 /nfs/dbraw/zinc/11/90/72/402119072.db2.gz QYJZMLRBFVDULI-UHFFFAOYSA-N 0 0 314.385 2.038 50 0 DEAARN Cc1nnc2n1[C@@H](C)CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 ZINC000096135742 402061413 /nfs/dbraw/zinc/06/14/13/402061413.db2.gz JTCDHIRJBGXVLQ-NSHDSACASA-N 0 0 322.372 2.194 50 0 DEAARN Cc1cnc2c(Cl)c(-c3nc([C@H]4CCOC4)no3)nn2c1 ZINC000096160867 402063306 /nfs/dbraw/zinc/06/33/06/402063306.db2.gz VLEWMYADOJZMIA-QMMMGPOBSA-N 0 0 305.725 2.245 50 0 DEAARN C[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CCO1 ZINC000054214960 402064401 /nfs/dbraw/zinc/06/44/01/402064401.db2.gz GQOOWIPORBVVBI-GFCCVEGCSA-N 0 0 319.792 2.446 50 0 DEAARN CCOC(=O)N(C)c1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 ZINC000054312454 402065660 /nfs/dbraw/zinc/06/56/60/402065660.db2.gz SBQWIQBKKYVXNS-LLVKDONJSA-N 0 0 317.349 2.071 50 0 DEAARN CCCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C)C1=O ZINC000064388527 402119747 /nfs/dbraw/zinc/11/97/47/402119747.db2.gz XYYUGRNOSJIJKH-CYBMUJFWSA-N 0 0 303.362 2.044 50 0 DEAARN C[C@@]1(C(=O)NC[C@H]2CCCO2)CC(c2ccccc2F)=NO1 ZINC000096192672 402066859 /nfs/dbraw/zinc/06/68/59/402066859.db2.gz FFDSHNARILGTPM-BZNIZROVSA-N 0 0 306.337 2.004 50 0 DEAARN O=C(Cc1cccc(F)c1)NCCc1nnc2n1CCCCC2 ZINC000054450615 402067985 /nfs/dbraw/zinc/06/79/85/402067985.db2.gz ZICUDFSWBNFZDS-UHFFFAOYSA-N 0 0 316.380 2.045 50 0 DEAARN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2[nH]c(CO)nc2c1 ZINC000097446998 402125055 /nfs/dbraw/zinc/12/50/55/402125055.db2.gz NQOVQQCPRDGTDP-DZGCQCFKSA-N 0 0 307.353 2.341 50 0 DEAARN CCCn1cnnc1CN(C)c1cc(N2CCCCC2)ncn1 ZINC000065496008 402125790 /nfs/dbraw/zinc/12/57/90/402125790.db2.gz SQMFNIPUDPZSKV-UHFFFAOYSA-N 0 0 315.425 2.105 50 0 DEAARN Cc1cc(NC(=O)[C@H](C)N2CCN(C)c3ccccc3C2)on1 ZINC000065513137 402125826 /nfs/dbraw/zinc/12/58/26/402125826.db2.gz DDFKJHOQEURYPV-ZDUSSCGKSA-N 0 0 314.389 2.262 50 0 DEAARN O=C(CN1CCCCC1=O)NCCCSCc1ccccc1 ZINC000097570768 402127470 /nfs/dbraw/zinc/12/74/70/402127470.db2.gz LCDWERYSFXEYMK-UHFFFAOYSA-N 0 0 320.458 2.439 50 0 DEAARN CS[C@H](C)c1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 ZINC000097600948 402127923 /nfs/dbraw/zinc/12/79/23/402127923.db2.gz DZLNPQAPZLIZOE-SNVBAGLBSA-N 0 0 316.430 2.208 50 0 DEAARN C[C@H]1CN(CCCN2CCOC2=O)C[C@@H](c2ccccc2)O1 ZINC000065953788 402128143 /nfs/dbraw/zinc/12/81/43/402128143.db2.gz NOMWZCFYSAILBI-HOCLYGCPSA-N 0 0 304.390 2.291 50 0 DEAARN O=C(CCNC(=O)c1cccc2nccnc21)Nc1ccccc1 ZINC000097632161 402128757 /nfs/dbraw/zinc/12/87/57/402128757.db2.gz RZPOQNGRLZMWEE-UHFFFAOYSA-N 0 0 320.352 2.388 50 0 DEAARN Cc1n[nH]c(CCC(=O)N2CCC[C@H](c3nccn3C)C2)c1C ZINC000097636431 402128815 /nfs/dbraw/zinc/12/88/15/402128815.db2.gz VXIAEOMSUULZOY-AWEZNQCLSA-N 0 0 315.421 2.099 50 0 DEAARN CCCSCCNC(=O)[C@H]1CC(=O)Nc2ccc(OC)cc21 ZINC000097654125 402129125 /nfs/dbraw/zinc/12/91/25/402129125.db2.gz BPKXFIZDALMLLP-ZDUSSCGKSA-N 0 0 322.430 2.380 50 0 DEAARN CC(C)CCn1c(=O)oc(=O)c2cnc(-c3ccccc3)nc21 ZINC000066323283 402130984 /nfs/dbraw/zinc/13/09/84/402130984.db2.gz VARUIMFRYOJONU-UHFFFAOYSA-N 0 0 311.341 2.458 50 0 DEAARN O=C(CCCc1cn[nH]c1)NCc1csc(N2CCCC2)n1 ZINC000097766454 402132184 /nfs/dbraw/zinc/13/21/84/402132184.db2.gz UYGFTHPICRJWDK-UHFFFAOYSA-N 0 0 319.434 2.106 50 0 DEAARN C[C@@H]1Cc2cc(CNC(=O)CCN3CCCCO3)ccc2O1 ZINC000097805716 402132644 /nfs/dbraw/zinc/13/26/44/402132644.db2.gz VPFRFNUHYBATFS-CYBMUJFWSA-N 0 0 304.390 2.044 50 0 DEAARN Cc1nn(CC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c(C)c1C ZINC000097815055 402133311 /nfs/dbraw/zinc/13/33/11/402133311.db2.gz AOQBJWZUJMGNEV-HNNXBMFYSA-N 0 0 317.437 2.236 50 0 DEAARN Nc1nc(Cl)cc(NCc2nc(-c3cccs3)n[nH]2)n1 ZINC000066467982 402134365 /nfs/dbraw/zinc/13/43/65/402134365.db2.gz SVIKCKITGDRMRK-UHFFFAOYSA-N 0 0 307.770 2.171 50 0 DEAARN Cc1cc(C)n(Cc2cccc(Nc3ccc4nnnn4n3)c2)n1 ZINC000066467958 402134392 /nfs/dbraw/zinc/13/43/92/402134392.db2.gz GOQLMGYZXBLABG-UHFFFAOYSA-N 0 0 320.360 2.125 50 0 DEAARN COc1cc(/C=C\C(=O)N(C)Cc2nccn2C)ccc1F ZINC000098053106 402135355 /nfs/dbraw/zinc/13/53/55/402135355.db2.gz AZOCRWWFTMXDEQ-ALCCZGGFSA-N 0 0 303.337 2.240 50 0 DEAARN C[NH+](C)CCN(Cc1ccccn1)C(=O)c1c([O-])cccc1F ZINC000123579734 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C[C@@H]1CCCN(C(=O)CCN2c3ccccc3OCC2=O)C1 ZINC000016642207 134528767 /nfs/dbraw/zinc/52/87/67/134528767.db2.gz GMYTZOGNGPVJOC-CYBMUJFWSA-N 0 0 302.374 2.061 50 0 DEAARN O=C(NCCC1=CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000017116986 134530512 /nfs/dbraw/zinc/53/05/12/134530512.db2.gz NXPLUGPJCRRBQN-UHFFFAOYSA-N 0 0 315.421 2.199 50 0 DEAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)NCC1CCCC1 ZINC000033054832 134685129 /nfs/dbraw/zinc/68/51/29/134685129.db2.gz PHTGYTGPHNYKGC-UHFFFAOYSA-N 0 0 322.792 2.372 50 0 DEAARN CC(C)S(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1N ZINC000039320785 134708181 /nfs/dbraw/zinc/70/81/81/134708181.db2.gz FUNLXESXMGBASP-VXGBXAGGSA-N 0 0 312.435 2.065 50 0 DEAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000048261286 134750407 /nfs/dbraw/zinc/75/04/07/134750407.db2.gz CDMSZWCVDGGNHV-HNNXBMFYSA-N 0 0 308.809 2.476 50 0 DEAARN CCc1ncncc1C(=O)NCCN1CCCc2ccccc21 ZINC000065410334 134824334 /nfs/dbraw/zinc/82/43/34/134824334.db2.gz AZNGFCRDAQQPOY-UHFFFAOYSA-N 0 0 310.401 2.222 50 0 DEAARN Cc1ccc(-c2nc(CN(C)CC(=O)N(C)C)co2)c(C)c1 ZINC000029976775 292031820 /nfs/dbraw/zinc/03/18/20/292031820.db2.gz QDBJRVTXCVVKOD-UHFFFAOYSA-N 0 0 301.390 2.478 50 0 DEAARN CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(O)cc1 ZINC000000053243 285668314 /nfs/dbraw/zinc/66/83/14/285668314.db2.gz MYVHHYIZQGREIM-AWEZNQCLSA-N 0 0 304.346 2.268 50 0 DEAARN O=c1ccnc2sc(N3CCCC[C@H]3c3ccco3)nn21 ZINC000095397847 296533206 /nfs/dbraw/zinc/53/32/06/296533206.db2.gz JUSIEZHYNVEPKV-JTQLQIEISA-N 0 0 302.359 2.476 50 0 DEAARN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(=O)n(C)c1 ZINC000089930030 296550272 /nfs/dbraw/zinc/55/02/72/296550272.db2.gz RBYRTNKEAVPQON-CYBMUJFWSA-N 0 0 311.385 2.261 50 0 DEAARN O=C(COCC(F)(F)F)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000318235881 145367800 /nfs/dbraw/zinc/36/78/00/145367800.db2.gz IETWFFGIFNMGHV-UHFFFAOYSA-N 0 0 313.279 2.272 50 0 DEAARN C[C@@H](NC(=O)NC[C@H](C)N(C)c1ccccc1)c1cnn(C)c1 ZINC000340937014 145456880 /nfs/dbraw/zinc/45/68/80/145456880.db2.gz KFDMTSAEBQAVFW-UONOGXRCSA-N 0 0 315.421 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ZINC000252500577 402656416 /nfs/dbraw/zinc/65/64/16/402656416.db2.gz SYGICEXDIUBLMO-UHFFFAOYSA-N 0 0 309.373 2.383 50 0 DEAARN Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC000252527990 402657809 /nfs/dbraw/zinc/65/78/09/402657809.db2.gz DXFKTMHKDVBNGM-JOCQHMNTSA-N 0 0 316.361 2.201 50 0 DEAARN C[C@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCN2C ZINC000253418994 402664697 /nfs/dbraw/zinc/66/46/97/402664697.db2.gz IYKVNHXTTBHWLO-VIFPVBQESA-N 0 0 318.295 2.421 50 0 DEAARN O=S1(=O)CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000253417481 402664761 /nfs/dbraw/zinc/66/47/61/402664761.db2.gz BOMHOAWXCMZYMU-WCQYABFASA-N 0 0 319.348 2.324 50 0 DEAARN O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000253423066 402665404 /nfs/dbraw/zinc/66/54/04/402665404.db2.gz VASJCLHKGGTNHP-CYBMUJFWSA-N 0 0 309.329 2.437 50 0 DEAARN COC(=O)CCC(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000253428094 402665830 /nfs/dbraw/zinc/66/58/30/402665830.db2.gz OTKZHNMRNGKFEY-IGCXYCKISA-N 0 0 309.406 2.136 50 0 DEAARN Cc1ccoc1C(=O)NC1CCN(C(=O)CC(C)(F)F)CC1 ZINC000253433281 402667034 /nfs/dbraw/zinc/66/70/34/402667034.db2.gz VCMQLUHJSPEUHK-UHFFFAOYSA-N 0 0 314.332 2.354 50 0 DEAARN CC[C@H](C(=O)[O-])[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000191428298 402668946 /nfs/dbraw/zinc/66/89/46/402668946.db2.gz VWEPGPUOCLULGO-LLVKDONJSA-N 0 0 318.204 2.374 50 0 DEAARN COc1cc(CN=Nc2nc(C)cc(C)n2)cc(OC)c1O ZINC000254843557 402671966 /nfs/dbraw/zinc/67/19/66/402671966.db2.gz APCIXGAJXVNELH-UHFFFAOYSA-N 0 0 302.334 2.262 50 0 DEAARN O=C(NCCc1cccs1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000182311811 402680199 /nfs/dbraw/zinc/68/01/99/402680199.db2.gz HZMKAIUSOFGHGF-ZDUSSCGKSA-N 0 0 318.398 2.283 50 0 DEAARN CCO[C@H]1C[C@](O)(CNC(=O)C2CCC(F)(F)CC2)C1(C)C ZINC000191772496 402691304 /nfs/dbraw/zinc/69/13/04/402691304.db2.gz NVRDZJRCXIGQJH-WFASDCNBSA-N 0 0 319.392 2.494 50 0 DEAARN O=C(c1cn[nH]c1)N1CCC[C@@H]1Cc1noc(C2CCCC2)n1 ZINC000257174987 402699938 /nfs/dbraw/zinc/69/99/38/402699938.db2.gz MSXGJEFJPKHQQK-CYBMUJFWSA-N 0 0 315.377 2.298 50 0 DEAARN C[C@H](C(=O)Nc1ccccn1)n1cc(COc2ccccc2)nn1 ZINC000257173366 402700235 /nfs/dbraw/zinc/70/02/35/402700235.db2.gz LLGGVKIKZGGKSY-CYBMUJFWSA-N 0 0 323.356 2.452 50 0 DEAARN O=C(c1ccccc1F)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000257177443 402700415 /nfs/dbraw/zinc/70/04/15/402700415.db2.gz BCQGZHNJUDOCPT-HNNXBMFYSA-N 0 0 320.408 2.400 50 0 DEAARN CC[C@@]1(O)CCOC2(CCN(C(=O)c3cccc(C)n3)CC2)C1 ZINC000257176059 402700542 /nfs/dbraw/zinc/70/05/42/402700542.db2.gz RPOBPLUZDQGINT-QGZVFWFLSA-N 0 0 318.417 2.316 50 0 DEAARN COc1ccc(C(=O)N2CCCCCCNC(=O)CC2)cc1 ZINC000257180326 402700816 /nfs/dbraw/zinc/70/08/16/402700816.db2.gz KOKHBKWBCLEUEG-UHFFFAOYSA-N 0 0 304.390 2.218 50 0 DEAARN O=C(COCc1ccccc1)N1CCCCCCNC(=O)CC1 ZINC000257180200 402700875 /nfs/dbraw/zinc/70/08/75/402700875.db2.gz KHEKWUPXSJRYBJ-UHFFFAOYSA-N 0 0 318.417 2.112 50 0 DEAARN O=C(COc1ccc(Cl)cc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000257187613 402701051 /nfs/dbraw/zinc/70/10/51/402701051.db2.gz BSYCKWMUIUKXOO-SNVBAGLBSA-N 0 0 319.735 2.195 50 0 DEAARN CO[C@H]1CCC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000257189844 402701697 /nfs/dbraw/zinc/70/16/97/402701697.db2.gz KEQGHMWUSFAISX-AWEZNQCLSA-N 0 0 313.394 2.405 50 0 DEAARN COc1ccc(/C=C(\C)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000222065222 286266426 /nfs/dbraw/zinc/26/64/26/286266426.db2.gz YSEIFDXSVVTYJB-NRMKIYEFSA-N 0 0 309.431 2.217 50 0 DEAARN OCCOCCCNc1ncc(Cl)cc1Br ZINC000192774963 402749410 /nfs/dbraw/zinc/74/94/10/402749410.db2.gz IEMHOPGNPBNFCW-UHFFFAOYSA-N 0 0 309.591 2.308 50 0 DEAARN CSc1cncc(N2CC[C@H](OCc3ccncc3)C2)n1 ZINC000192903472 402756007 /nfs/dbraw/zinc/75/60/07/402756007.db2.gz GCMOCQYJQAKURU-ZDUSSCGKSA-N 0 0 302.403 2.389 50 0 DEAARN CS(=O)(=O)Cc1noc(CNc2c(F)cccc2Cl)n1 ZINC000193107202 402765377 /nfs/dbraw/zinc/76/53/77/402765377.db2.gz KICZDADEICVGBC-UHFFFAOYSA-N 0 0 319.745 2.019 50 0 DEAARN CC(C)(C)OC(=O)NC1(c2noc(Cn3ccnc3)n2)CCC1 ZINC000195569983 402851069 /nfs/dbraw/zinc/85/10/69/402851069.db2.gz UJRJEOTXZMBORZ-UHFFFAOYSA-N 0 0 319.365 2.218 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322.438 2.028 50 0 DEAARN Cn1cncc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1 ZINC000299772834 403570531 /nfs/dbraw/zinc/57/05/31/403570531.db2.gz AXWDEYGLWCMPFJ-HNNXBMFYSA-N 0 0 316.380 2.126 50 0 DEAARN CO[C@]12CCN(C(=O)c3cccc(F)c3F)[C@H]1C[C@@H](O)CC2 ZINC000299775182 403572272 /nfs/dbraw/zinc/57/22/72/403572272.db2.gz AMEJBUOHVKFXQD-YNZJMPHRSA-N 0 0 311.328 2.109 50 0 DEAARN Cc1ccc2nc(C(=O)N3CC[C@H](C(C)(C)O)C3)c(F)n2c1 ZINC000299798185 403578535 /nfs/dbraw/zinc/57/85/35/403578535.db2.gz WJDMOKAKLXBJTE-NSHDSACASA-N 0 0 305.353 2.015 50 0 DEAARN Cc1noc(C)c1CCCNC(=O)[C@H](C)n1cc(Cl)cn1 ZINC000299803201 403579422 /nfs/dbraw/zinc/57/94/22/403579422.db2.gz ZZRKDAXGAPNUDB-JTQLQIEISA-N 0 0 310.785 2.451 50 0 DEAARN CC1(C)C[C@H](NC(=O)c2cnc(C3CCCC3)nc2N)CCO1 ZINC000287639119 403639703 /nfs/dbraw/zinc/63/97/03/403639703.db2.gz IWQHPOIDYVJDMQ-GFCCVEGCSA-N 0 0 318.421 2.404 50 0 DEAARN COc1nn(C)cc1NC(=O)N1CCCc2ccccc2CC1 ZINC000333066104 403658470 /nfs/dbraw/zinc/65/84/70/403658470.db2.gz 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334288469 /nfs/dbraw/zinc/28/84/69/334288469.db2.gz OJYYNVCEOYGUPC-UHFFFAOYSA-N 0 0 313.361 2.154 50 0 DEAARN CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(F)c(OC)c1 ZINC000534579703 334289093 /nfs/dbraw/zinc/28/90/93/334289093.db2.gz NVPKFXLYFIDXCV-SNVBAGLBSA-N 0 0 306.341 2.327 50 0 DEAARN C[C@@H](NC(=O)C(=O)c1cccn1C)c1nc2c(s1)CCCC2 ZINC000534581912 334289541 /nfs/dbraw/zinc/28/95/41/334289541.db2.gz FWGUXZGOHFWBTQ-SNVBAGLBSA-N 0 0 317.414 2.421 50 0 DEAARN CCCn1ncnc1[C@H](C)NC(=O)COCc1ccccc1 ZINC000534585820 334291826 /nfs/dbraw/zinc/29/18/26/334291826.db2.gz JJPHWKLMLHYHNX-ZDUSSCGKSA-N 0 0 302.378 2.082 50 0 DEAARN CCn1ccnc1CN(C)C(=O)NCCCOC1CCCC1 ZINC000534587766 334292773 /nfs/dbraw/zinc/29/27/73/334292773.db2.gz FNJRIMLPHAMJMN-UHFFFAOYSA-N 0 0 308.426 2.394 50 0 DEAARN C/C=C/C(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 ZINC000534590220 334294149 /nfs/dbraw/zinc/29/41/49/334294149.db2.gz JCIGIVYKMVAGEM-OMDKTOEGSA-N 0 0 300.406 2.118 50 0 DEAARN Cc1cnn([C@H](C)CNC(=O)c2c(C)nc3sccn32)c1 ZINC000534642850 334306025 /nfs/dbraw/zinc/30/60/25/334306025.db2.gz SYKSCAQSWYJVJB-SNVBAGLBSA-N 0 0 303.391 2.200 50 0 DEAARN Cc1cc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)c(=O)[nH]c1C ZINC000534631073 334307669 /nfs/dbraw/zinc/30/76/69/334307669.db2.gz QFSKFPOBBVMSKR-OAHLLOKOSA-N 0 0 312.369 2.278 50 0 DEAARN CC(C)[C@H](NC(=O)c1nc2ccccn2c1F)c1nccn1C ZINC000534633584 334308548 /nfs/dbraw/zinc/30/85/48/334308548.db2.gz VQDLZSQYQZTOKH-LBPRGKRZSA-N 0 0 315.352 2.334 50 0 DEAARN CS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000534653339 334312833 /nfs/dbraw/zinc/31/28/33/334312833.db2.gz JILHSBLFNYPZBL-CQSZACIVSA-N 0 0 316.854 2.416 50 0 DEAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2cnc3cccnn32)cc1 ZINC000534664735 334318194 /nfs/dbraw/zinc/31/81/94/334318194.db2.gz LYQPTCLQOCXAKZ-OAHLLOKOSA-N 0 0 322.368 2.305 50 0 DEAARN CC(C)Cn1cncc1CNC(=O)N(C)Cc1nccs1 ZINC000534663390 334322794 /nfs/dbraw/zinc/32/27/94/334322794.db2.gz XIPFWVHFICHGFL-UHFFFAOYSA-N 0 0 307.423 2.337 50 0 DEAARN Cc1nn[nH]c1C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000188642505 334727274 /nfs/dbraw/zinc/72/72/74/334727274.db2.gz XWUXSUBGRVLUEH-UHFFFAOYSA-N 0 0 302.353 2.494 50 0 DEAARN CCC[C@@H](C)N1C[C@@H](C(=O)NCc2ccc(F)cc2)CC1=O ZINC000040156604 337361047 /nfs/dbraw/zinc/36/10/47/337361047.db2.gz ZRFGWARZDYKLNW-OCCSQVGLSA-N 0 0 306.381 2.479 50 0 DEAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cnn2ccccc12 ZINC000077193767 337373838 /nfs/dbraw/zinc/37/38/38/337373838.db2.gz QZJXMYJCTOLRAD-FNORWQNLSA-N 0 0 321.336 2.393 50 0 DEAARN Cc1occc1C(=O)NCC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000097096021 337382193 /nfs/dbraw/zinc/38/21/93/337382193.db2.gz VBMMWOWFYVTYAB-JTQLQIEISA-N 0 0 316.361 2.124 50 0 DEAARN CC[C@]1(C)Oc2ccc(NC(=O)Cc3ccn(C)n3)cc2O1 ZINC000097104348 337382345 /nfs/dbraw/zinc/38/23/45/337382345.db2.gz IXHFZVVNAQJQJB-MRXNPFEDSA-N 0 0 301.346 2.499 50 0 DEAARN C[C@@H](CCn1cccn1)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000097234743 337382489 /nfs/dbraw/zinc/38/24/89/337382489.db2.gz VLOWZPZICIDCKU-LBPRGKRZSA-N 0 0 308.407 2.145 50 0 DEAARN Cc1ccc(Cl)c(OC[C@@H](O)Cn2cnc(C)c(C)c2=O)c1 ZINC000097375805 337382741 /nfs/dbraw/zinc/38/27/41/337382741.db2.gz NULDWXDRQRPLIZ-ZDUSSCGKSA-N 0 0 322.792 2.262 50 0 DEAARN Cc1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)nc1 ZINC000097379064 337382823 /nfs/dbraw/zinc/38/28/23/337382823.db2.gz BNASCIMWUFLABN-INIZCTEOSA-N 0 0 304.415 2.266 50 0 DEAARN C[C@H](C[S@](C)=O)N(C)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000158645017 337383398 /nfs/dbraw/zinc/38/33/98/337383398.db2.gz VYUOKUTXMLNUOH-LADRHHBVSA-N 0 0 312.439 2.005 50 0 DEAARN Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1COc2ccccc21 ZINC000164038945 337383486 /nfs/dbraw/zinc/38/34/86/337383486.db2.gz XMWZSWWFDUCVLN-ZBFHGGJFSA-N 0 0 312.369 2.101 50 0 DEAARN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCc2sccc2C1 ZINC000178525767 341957185 /nfs/dbraw/zinc/95/71/85/341957185.db2.gz QPHGTBLDFILWGH-LBPRGKRZSA-N 0 0 302.403 2.096 50 0 DEAARN COCc1cccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1 ZINC000044977172 500823256 /nfs/dbraw/zinc/82/32/56/500823256.db2.gz XVIQTNPGZLCTFG-LLVKDONJSA-N 0 0 302.330 2.183 50 0 DEAARN COC(=O)[C@H](NC(=O)c1cncc(C)c1)c1ccc(F)cc1F ZINC000089874143 518011707 /nfs/dbraw/zinc/01/17/07/518011707.db2.gz SJGGTQVYYBMARG-CQSZACIVSA-N 0 0 320.295 2.312 50 0 DEAARN O=C(CCCn1cnnn1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000299760669 534392128 /nfs/dbraw/zinc/39/21/28/534392128.db2.gz WKXFCWJBPIVDED-LBPRGKRZSA-N 0 0 319.796 2.123 50 0 DEAARN Cc1noc([C@@H]2CCN(C(=O)c3cccc4c3NCCC4)C2)n1 ZINC000299788897 534458304 /nfs/dbraw/zinc/45/83/04/534458304.db2.gz YVROXHNBPYHOOQ-CYBMUJFWSA-N 0 0 312.373 2.366 50 0 DEAARN Cc1ccc2nc(C(=O)N3CC[C@@H](O)CC(C)(C)C3)c(F)n2c1 ZINC000426389994 534488973 /nfs/dbraw/zinc/48/89/73/534488973.db2.gz WWBMNHGUWHHWFF-GFCCVEGCSA-N 0 0 319.380 2.405 50 0 DEAARN c1nc(CN2CCCC[C@H]2c2nc[nH]n2)n(-c2ccccc2)n1 ZINC000328586575 534527754 /nfs/dbraw/zinc/52/77/54/534527754.db2.gz HJVSBKUIDZGJRJ-AWEZNQCLSA-N 0 0 309.377 2.113 50 0 DEAARN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)C1CCOCC1 ZINC000293202072 534594703 /nfs/dbraw/zinc/59/47/03/534594703.db2.gz 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/nfs/dbraw/zinc/02/81/47/529028147.db2.gz FCBSGUHGPNQMSU-HOTGVXAUSA-N 0 0 302.418 2.398 50 0 DEAARN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)[O-] ZINC000441228904 529229184 /nfs/dbraw/zinc/22/91/84/529229184.db2.gz IOWGYHGLVGYIQG-BBRMVZONSA-N 0 0 305.422 2.007 50 0 DEAARN CCOc1cccc2[nH]cc(CC(=O)N[C@H](CC)[C@@H](C)O)c21 ZINC000456258834 535478935 /nfs/dbraw/zinc/47/89/35/535478935.db2.gz QGBUMUTVTJHPBE-DGCLKSJQSA-N 0 0 304.390 2.385 50 0 DEAARN Cc1cc2ncc(NC(=O)COc3ccccc3F)cn2n1 ZINC000206736723 563637697 /nfs/dbraw/zinc/63/76/97/563637697.db2.gz QMRWCNPOAIOPSJ-UHFFFAOYSA-N 0 0 300.293 2.194 50 0 DEAARN COc1ccc2c3c1cccc3C(=O)N(CCOC(C)=O)C2=O ZINC000221525639 563711455 /nfs/dbraw/zinc/71/14/55/563711455.db2.gz KIUAPHKQNUJABP-UHFFFAOYSA-N 0 0 313.309 2.008 50 0 DEAARN c1cncc(-c2noc(-c3cncnc3NC[C@H]3CCCO3)n2)c1 ZINC000263618909 563810802 /nfs/dbraw/zinc/81/08/02/563810802.db2.gz WCIDIQZHTWHVAB-GFCCVEGCSA-N 0 0 324.344 2.180 50 0 DEAARN C[C@@]1(CNC(=O)Cn2ncc3ccccc32)CCCC[C@H]1O 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ZINC000888101514 635556540 /nfs/dbraw/zinc/55/65/40/635556540.db2.gz FMASNCODUBMVKS-AWEZNQCLSA-N 0 0 315.373 2.243 50 0 DEAARN O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCOCC1 ZINC000011873694 635867138 /nfs/dbraw/zinc/86/71/38/635867138.db2.gz XXOYEFSWJHTBNG-UHFFFAOYSA-N 0 0 324.283 2.004 50 0 DEAARN CCOC(=O)C1(CC2CC2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012019902 635943168 /nfs/dbraw/zinc/94/31/68/635943168.db2.gz RATXYXZTOFNUNN-AWEZNQCLSA-N 0 0 309.406 2.137 50 0 DEAARN CCCc1noc(CN2CCC([C@@H](O)c3ccccn3)CC2)n1 ZINC000012315405 636153707 /nfs/dbraw/zinc/15/37/07/636153707.db2.gz XNNRLGTXTRWUHJ-QGZVFWFLSA-N 0 0 316.405 2.363 50 0 DEAARN C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncnc2ccc(F)cc21 ZINC000186633906 636487144 /nfs/dbraw/zinc/48/71/44/636487144.db2.gz JFNSQWHMDHQRAO-LBPRGKRZSA-N 0 0 318.396 2.050 50 0 DEAARN C/C(=C/C(=O)NCCOC[C@@H]1CCOC1)c1cccc(F)c1 ZINC000095394907 641161908 /nfs/dbraw/zinc/16/19/08/641161908.db2.gz KRYIFBDZGYXKDZ-RNQWEJQRSA-N 0 0 307.365 2.398 50 0 DEAARN CCCn1cc(NC(=O)N2CCN(CC(F)(F)F)CC2)cn1 ZINC000174144599 646793324 /nfs/dbraw/zinc/79/33/24/646793324.db2.gz VCEMBWKOCULFCO-UHFFFAOYSA-N 0 0 319.331 2.005 50 0 DEAARN C[NH+](C)C[C@@H](NC(=O)c1ncncc1Cl)c1ccccc1 ZINC000175119321 648333025 /nfs/dbraw/zinc/33/30/25/648333025.db2.gz RYXRPZSZKPOFPJ-CYBMUJFWSA-N 0 0 304.781 2.163 50 0 DEAARN CN(C)c1noc(CN(CCc2cccc(F)c2)C2CC2)n1 ZINC000185262334 649483027 /nfs/dbraw/zinc/48/30/27/649483027.db2.gz JNDCEXOIICLCEC-UHFFFAOYSA-N 0 0 304.369 2.482 50 0 DEAARN CCCc1cc(C(=O)Nc2cccc3c2OCC[C@H]3O)n[nH]1 ZINC000185322725 649497325 /nfs/dbraw/zinc/49/73/25/649497325.db2.gz KNRGAGRQGPUNQW-CQSZACIVSA-N 0 0 301.346 2.430 50 0 DEAARN O=C(CC[C@H]1COc2ccccc2O1)Nc1ncccc1O ZINC000000376921 683829708 /nfs/dbraw/zinc/82/97/08/683829708.db2.gz CNBYZJFKMSTQAL-NSHDSACASA-N 0 0 300.314 2.346 50 0 DEAARN S=C(/C(=C\N1CCOCC1)c1ccccc1)N1CCOCC1 ZINC000008132311 683839993 /nfs/dbraw/zinc/83/99/93/683839993.db2.gz UNPWLICDMJRBJE-PEZBUJJGSA-N 0 0 318.442 2.019 50 0 DEAARN 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O=C(Cc1c(F)cccc1Cl)N1CCC2(CC1)OCCO2 ZINC000001054793 401703902 /nfs/dbraw/zinc/70/39/02/401703902.db2.gz LNXLDLUUMIOGDD-UHFFFAOYSA-N 0 0 313.756 2.387 50 0 DEAARN CCOC(=O)[C@@H]1C(=O)N[C@H]2c3ccccc3O[C@@H]3CCCC[C@@]213 ZINC000001280091 401705349 /nfs/dbraw/zinc/70/53/49/401705349.db2.gz SEVNYVDCZGGKSS-LLDVTBCESA-N 0 0 315.369 2.358 50 0 biogenic DEAARN O=C(CCn1ccccc1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000072273475 401705414 /nfs/dbraw/zinc/70/54/14/401705414.db2.gz AHKKSALZFAILNM-CYBMUJFWSA-N 0 0 317.414 2.101 50 0 DEAARN CC(C)[C@@H](NC(=O)COCC1CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000072283790 401705880 /nfs/dbraw/zinc/70/58/80/401705880.db2.gz OIXIVEPRNRJLMO-MRXNPFEDSA-N 0 0 318.373 2.361 50 0 DEAARN NC(COc1ncn(-c2ccccc2)n1)=NNc1ccccc1 ZINC000001385303 401705996 /nfs/dbraw/zinc/70/59/96/401705996.db2.gz FRGCUWUSCRXWQM-UHFFFAOYSA-N 0 0 308.345 2.240 50 0 DEAARN CN(C(=O)CN1c2ccccc2OCC1=O)C1CCCCC1 ZINC000001361627 401706165 /nfs/dbraw/zinc/70/61/65/401706165.db2.gz OBYHQSOQADOYFQ-UHFFFAOYSA-N 0 0 302.374 2.203 50 0 DEAARN CCc1nc(C)ncc1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 ZINC000072287794 401706451 /nfs/dbraw/zinc/70/64/51/401706451.db2.gz LFQHFRROMXKKGJ-GFCCVEGCSA-N 0 0 315.377 2.059 50 0 DEAARN COC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000001393557 401706700 /nfs/dbraw/zinc/70/67/00/401706700.db2.gz XOPPIUAWBATHMT-UHFFFAOYSA-N 0 0 318.398 2.362 50 0 DEAARN Cc1cc(NC(=O)c2cnccn2)n(Cc2ccc(F)cc2)n1 ZINC000001429810 401707199 /nfs/dbraw/zinc/70/71/99/401707199.db2.gz PAYPLOFNJVTZGI-UHFFFAOYSA-N 0 0 311.320 2.421 50 0 DEAARN COCCn1ccc2cc(NC(=O)NC[C@H](O)C(C)C)ccc21 ZINC000072294241 401707249 /nfs/dbraw/zinc/70/72/49/401707249.db2.gz WYMRMBWIVUPSOR-INIZCTEOSA-N 0 0 319.405 2.426 50 0 DEAARN CC(C)COC[C@H](C)NC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000072292200 401707259 /nfs/dbraw/zinc/70/72/59/401707259.db2.gz ITJRIGDHEMXHAS-NSHDSACASA-N 0 0 320.364 2.458 50 0 DEAARN CC[C@@]1(C)OC(=O)N(CCC(=O)Nc2cccc(F)c2)[C@@]1(C)O ZINC000001430307 401707713 /nfs/dbraw/zinc/70/77/13/401707713.db2.gz 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DEAARN COCCCn1c(C(=O)OC)cc(=O)c2cc(Cl)ccc21 ZINC000097148517 402111967 /nfs/dbraw/zinc/11/19/67/402111967.db2.gz XACSUKVPUPVIMF-UHFFFAOYSA-N 0 0 309.749 2.478 50 0 DEAARN COc1ccnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000097150682 402111989 /nfs/dbraw/zinc/11/19/89/402111989.db2.gz PKEYWWJCNIOOSN-NSHDSACASA-N 0 0 321.402 2.086 50 0 DEAARN O=c1c(Cl)c(Cl)cnn1Cc1cn2ccsc2n1 ZINC000097160176 402112795 /nfs/dbraw/zinc/11/27/95/402112795.db2.gz TZOHFAVXJGFHFE-UHFFFAOYSA-N 0 0 301.158 2.308 50 0 DEAARN CCCCOc1ccccc1CN1CCN2C(=O)NC[C@H]2C1 ZINC000097162174 402112987 /nfs/dbraw/zinc/11/29/87/402112987.db2.gz NQJMJFLFZHZSIR-HNNXBMFYSA-N 0 0 303.406 2.075 50 0 DEAARN Cc1nc(C)c(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)s1 ZINC000097164951 402114197 /nfs/dbraw/zinc/11/41/97/402114197.db2.gz BDRWHTLUKUIINT-UHFFFAOYSA-N 0 0 318.464 2.045 50 0 DEAARN Cc1cc(NC(=O)Cn2ccc(-c3ccsc3)n2)n(C)n1 ZINC000063847138 402116270 /nfs/dbraw/zinc/11/62/70/402116270.db2.gz SSOVQWKBEIUTPK-UHFFFAOYSA-N 0 0 301.375 2.292 50 0 DEAARN C[C@H](C(=O)Nc1nccs1)N1CCC(c2cn[nH]c2)CC1 ZINC000097203582 402117719 /nfs/dbraw/zinc/11/77/19/402117719.db2.gz HHTKZOGOVKXJEX-SNVBAGLBSA-N 0 0 305.407 2.073 50 0 DEAARN O=C(C[C@@H](O)c1cccc(F)c1)N[C@H](CO)c1ccccc1 ZINC000097233081 402119140 /nfs/dbraw/zinc/11/91/40/402119140.db2.gz NUPJVWLYPLNFDU-HZPDHXFCSA-N 0 0 303.333 2.099 50 0 DEAARN O=C(N[C@@H](CO)c1ccccc1)c1ccc(-c2ncon2)cc1 ZINC000097232914 402119293 /nfs/dbraw/zinc/11/92/93/402119293.db2.gz JVELWIUPXAXSQL-HNNXBMFYSA-N 0 0 309.325 2.200 50 0 DEAARN O=C(C[C@H](O)c1cccc(F)c1)N[C@H](CO)c1ccccc1 ZINC000097233078 402119465 /nfs/dbraw/zinc/11/94/65/402119465.db2.gz NUPJVWLYPLNFDU-CVEARBPZSA-N 0 0 303.333 2.099 50 0 DEAARN O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@H]1C1CCCC1 ZINC000054138887 402063353 /nfs/dbraw/zinc/06/33/53/402063353.db2.gz CTHOYKQLTMSVGN-HNNXBMFYSA-N 0 0 311.389 2.457 50 0 DEAARN Cc1ccc([C@H]2[C@H](C(=O)N3CCSCC3)CC(=O)N2C)cc1 ZINC000096181394 402064720 /nfs/dbraw/zinc/06/47/20/402064720.db2.gz YJAIDNNEJWYEID-ZBFHGGJFSA-N 0 0 318.442 2.090 50 0 DEAARN Cc1ccc([C@@H]2[C@H](C(=O)N3CCSCC3)CC(=O)N2C)cc1 ZINC000096181393 402064866 /nfs/dbraw/zinc/06/48/66/402064866.db2.gz YJAIDNNEJWYEID-GDBMZVCRSA-N 0 0 318.442 2.090 50 0 DEAARN OCCOCCNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000097238141 402119678 /nfs/dbraw/zinc/11/96/78/402119678.db2.gz DKPVSYWAFDCKLF-UHFFFAOYSA-N 0 0 302.161 2.357 50 0 DEAARN O=C(c1ccc(=O)n(-c2ccccc2)c1)N1CCSCC1 ZINC000096192100 402066693 /nfs/dbraw/zinc/06/66/93/402066693.db2.gz MSGDKGIYWFNYNM-UHFFFAOYSA-N 0 0 300.383 2.027 50 0 DEAARN Cc1cc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)n(C)n1 ZINC000096192650 402066819 /nfs/dbraw/zinc/06/68/19/402066819.db2.gz OOKMSXDZYYITRJ-MRXNPFEDSA-N 0 0 316.336 2.389 50 0 DEAARN O[C@@H]1CCCN(c2ccnc(NCCc3cccc(F)c3)n2)C1 ZINC000065469227 402125376 /nfs/dbraw/zinc/12/53/76/402125376.db2.gz RGPNCDSJZJBHIV-OAHLLOKOSA-N 0 0 316.380 2.231 50 0 DEAARN C[C@H](Sc1ccc(Br)cc1)C(=O)NCCCO ZINC000097477930 402125692 /nfs/dbraw/zinc/12/56/92/402125692.db2.gz OEOQEXSRGGTADV-VIFPVBQESA-N 0 0 318.236 2.428 50 0 DEAARN Cc1cnccc1CNC(=O)[C@@H](c1ccc(F)cc1)N(C)C ZINC000097468983 402125770 /nfs/dbraw/zinc/12/57/70/402125770.db2.gz DVEBAFIOLVCXGW-MRXNPFEDSA-N 0 0 301.365 2.448 50 0 DEAARN Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(-c2ccccc2)o1 ZINC000097492605 402126178 /nfs/dbraw/zinc/12/61/78/402126178.db2.gz YKVRGKPUBPSVAO-UHFFFAOYSA-N 0 0 319.382 2.126 50 0 DEAARN Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2c1nccn1C ZINC000065535618 402126198 /nfs/dbraw/zinc/12/61/98/402126198.db2.gz MDWZGLYLVGBHCE-CQSZACIVSA-N 0 0 321.384 2.447 50 0 DEAARN Cc1nc(N)sc1-c1ncnn1Cc1ccc2c(c1)OCO2 ZINC000097499637 402126376 /nfs/dbraw/zinc/12/63/76/402126376.db2.gz YOJZGVMABWJPOJ-UHFFFAOYSA-N 0 0 315.358 2.069 50 0 DEAARN Cn1cnnc1CCC(=O)NCc1ccc2sccc2c1 ZINC000097604090 402128658 /nfs/dbraw/zinc/12/86/58/402128658.db2.gz UFMMMFYXFQIWNQ-UHFFFAOYSA-N 0 0 300.387 2.279 50 0 DEAARN CN(Cc1ccc(OCC(=O)[O-])cc1)C[C@@H]1CCCC[N@@H+]1C ZINC000097681693 402129929 /nfs/dbraw/zinc/12/99/29/402129929.db2.gz SNJANYTVUBZDCL-HNNXBMFYSA-N 0 0 306.406 2.066 50 0 DEAARN CC(C)n1cc(CN(C)C(=O)Cc2cn3ccsc3n2)cn1 ZINC000097681771 402130003 /nfs/dbraw/zinc/13/00/03/402130003.db2.gz VTPXGQRYNKPXIA-UHFFFAOYSA-N 0 0 317.418 2.374 50 0 DEAARN C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1C)c1nnc(N)s1 ZINC000097772739 402132732 /nfs/dbraw/zinc/13/27/32/402132732.db2.gz LJKZOOGIPLSSNT-SSDOTTSWSA-N 0 0 323.426 2.034 50 0 DEAARN Cc1nn(C)cc1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000097813837 402132746 /nfs/dbraw/zinc/13/27/46/402132746.db2.gz UBFYLCWMOIUBAB-UHFFFAOYSA-N 0 0 311.389 2.192 50 0 DEAARN Cc1noc(C)c1C(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000066430738 402133406 /nfs/dbraw/zinc/13/34/06/402133406.db2.gz NFSRNOOKSCRXTC-UHFFFAOYSA-N 0 0 303.347 2.068 50 0 DEAARN CN(C(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000066422824 402133930 /nfs/dbraw/zinc/13/39/30/402133930.db2.gz MDKXEDSDWSFZLB-HNNXBMFYSA-N 0 0 308.809 2.334 50 0 DEAARN CN(C)C(=O)[C@H]1CSCN1C(=O)C/C=C\c1cccc(F)c1 ZINC000098018625 402134196 /nfs/dbraw/zinc/13/41/96/402134196.db2.gz LQXWGUXPDHHFAT-KXQLTZBTSA-N 0 0 322.405 2.219 50 0 DEAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCC1(C)COC1 ZINC000066532423 402135877 /nfs/dbraw/zinc/13/58/77/402135877.db2.gz QWRZYBLKATUXAZ-CQSZACIVSA-N 0 0 323.364 2.160 50 0 DEAARN CCc1noc(-c2nc(-c3ccc(OC)cc3OC)no2)n1 ZINC000098212393 402139363 /nfs/dbraw/zinc/13/93/63/402139363.db2.gz ZOMKXBGQTSWOSC-UHFFFAOYSA-N 0 0 302.290 2.366 50 0 DEAARN CCOc1ccc(C(=O)Nc2nn3c(C)nnc3s2)cc1 ZINC000064980488 402122538 /nfs/dbraw/zinc/12/25/38/402122538.db2.gz KAUGZGYFIFWCMY-UHFFFAOYSA-N 0 0 303.347 2.145 50 0 DEAARN CCN1C(=O)[C@](C)(C(=O)NC2CCCCC2)Oc2cccnc21 ZINC000065241842 402123161 /nfs/dbraw/zinc/12/31/61/402123161.db2.gz ZIRJJRDJKSJPRC-KRWDZBQOSA-N 0 0 317.389 2.035 50 0 DEAARN CCN(CC)C(=O)C[C@@H]1Sc2ncccc2N(CC)C1=O ZINC000065172085 402123177 /nfs/dbraw/zinc/12/31/77/402123177.db2.gz LTLCBPBVIXEFIF-LBPRGKRZSA-N 0 0 307.419 2.167 50 0 DEAARN CC(=O)c1ccc(NC(=O)NCc2nnc(C(C)C)n2C)cc1 ZINC000097377903 402123314 /nfs/dbraw/zinc/12/33/14/402123314.db2.gz KKBSEVJMJIVSQU-UHFFFAOYSA-N 0 0 315.377 2.463 50 0 DEAARN C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccnn2C)CC1 ZINC000097378455 402123582 /nfs/dbraw/zinc/12/35/82/402123582.db2.gz QZTJSZMTIRLXNN-LBPRGKRZSA-N 0 0 304.419 2.001 50 0 DEAARN CCN1C(=O)C[C@@H](Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000101145173 402143988 /nfs/dbraw/zinc/14/39/88/402143988.db2.gz XGAKWCRTOSDMIJ-OAHLLOKOSA-N 0 0 301.390 2.236 50 0 DEAARN O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCOCC1 ZINC000066892183 402145942 /nfs/dbraw/zinc/14/59/42/402145942.db2.gz AGLFYHLXENFGCP-INIZCTEOSA-N 0 0 306.381 2.039 50 0 DEAARN O=C(NC[C@@H]1CC=CCC1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000123805707 402147382 /nfs/dbraw/zinc/14/73/82/402147382.db2.gz XKCSPTJPJCHRFI-CABCVRRESA-N 0 0 303.410 2.056 50 0 DEAARN CCc1ccc(Nc2n[nH]nc2C(=O)N2CCSCC2)cc1 ZINC000067284169 402155704 /nfs/dbraw/zinc/15/57/04/402155704.db2.gz WPKHYXXIQZCSOU-UHFFFAOYSA-N 0 0 317.418 2.300 50 0 DEAARN NC(=O)c1ccnc(NC[C@@H](O)c2ccc3ccccc3c2)c1 ZINC000067372850 402157508 /nfs/dbraw/zinc/15/75/08/402157508.db2.gz PCBLQFOIUZPNHI-MRXNPFEDSA-N 0 0 307.353 2.479 50 0 DEAARN CN(CCCn1cccn1)C(=O)[C@]12CC[C@](C)([C@@H](O)C1)C2(C)C ZINC000067935083 402179109 /nfs/dbraw/zinc/17/91/09/402179109.db2.gz ZYAGPEHTGJZRKU-QGTPRVQTSA-N 0 0 319.449 2.309 50 0 DEAARN Cc1ccccc1[C@@]1(O)CCN(C(=O)c2c(O)cccc2O)C1 ZINC000067946249 402179657 /nfs/dbraw/zinc/17/96/57/402179657.db2.gz FOXHWNWVFXBKPL-GOSISDBHSA-N 0 0 313.353 2.140 50 0 DEAARN NS(=O)(=O)c1cnc(N2CCC[C@H]2c2cccs2)s1 ZINC000068659553 402203252 /nfs/dbraw/zinc/20/32/52/402203252.db2.gz DVBVHQASADLQHR-QMMMGPOBSA-N 0 0 315.445 2.194 50 0 DEAARN CCS(=O)(=O)NCCSc1nc(-c2ccccc2)c[nH]1 ZINC000068050451 402183563 /nfs/dbraw/zinc/18/35/63/402183563.db2.gz DUJTWJWFZMPEQS-UHFFFAOYSA-N 0 0 311.432 2.108 50 0 DEAARN Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C)n1C1CC1 ZINC000068138443 402185058 /nfs/dbraw/zinc/18/50/58/402185058.db2.gz KYZQCFIBYBCAOC-ZWNOBZJWSA-N 0 0 303.406 2.166 50 0 DEAARN CCN1CCN(C(=O)[C@H](C)N(C)Cc2ccccc2Cl)CC1 ZINC000067471756 402160757 /nfs/dbraw/zinc/16/07/57/402160757.db2.gz PQKVPYVSKCUZDR-AWEZNQCLSA-N 0 0 323.868 2.324 50 0 DEAARN CCc1c(C)scc1C(=O)NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000102307005 402164710 /nfs/dbraw/zinc/16/47/10/402164710.db2.gz NVQFNALNABGMEF-VXGBXAGGSA-N 0 0 318.398 2.215 50 0 DEAARN COc1ccc2c(c1)NC(=O)[C@H]2Cc1nc(-c2ccccn2)no1 ZINC000102332182 402165238 /nfs/dbraw/zinc/16/52/38/402165238.db2.gz QVEVNOCCXYQBHA-LBPRGKRZSA-N 0 0 322.324 2.419 50 0 DEAARN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000067620855 402165262 /nfs/dbraw/zinc/16/52/62/402165262.db2.gz UXOAXTGRXZSLFA-AWEZNQCLSA-N 0 0 310.344 2.438 50 0 DEAARN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cc1cccc(F)c1 ZINC000067622354 402165532 /nfs/dbraw/zinc/16/55/32/402165532.db2.gz YRHOOIZIALTVSP-HNNXBMFYSA-N 0 0 306.381 2.228 50 0 DEAARN C[C@@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067641875 402165908 /nfs/dbraw/zinc/16/59/08/402165908.db2.gz CWBWNVICQAXPOE-SECBINFHSA-N 0 0 308.284 2.149 50 0 DEAARN Clc1ccc(-n2cnnc2CCCN2CCOCC2)cc1 ZINC000067675127 402166916 /nfs/dbraw/zinc/16/69/16/402166916.db2.gz SGKPVPIHMOMBLI-UHFFFAOYSA-N 0 0 306.797 2.186 50 0 DEAARN Nc1cc(N2CCc3[nH]nc(-c4ccccc4F)c3C2)ncn1 ZINC000067741756 402171228 /nfs/dbraw/zinc/17/12/28/402171228.db2.gz ZUBVPESZMVCWIA-UHFFFAOYSA-N 0 0 310.336 2.151 50 0 DEAARN Cc1nccn1CCC(=O)N1Cc2cnc(CC(C)C)nc2C1 ZINC000067743576 402171358 /nfs/dbraw/zinc/17/13/58/402171358.db2.gz UQCYXLQBAPGYFL-UHFFFAOYSA-N 0 0 313.405 2.113 50 0 DEAARN CN(C)c1ncccc1CNC(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000067842806 402174600 /nfs/dbraw/zinc/17/46/00/402174600.db2.gz MHZIKFZJLZCFDF-UHFFFAOYSA-N 0 0 321.384 2.468 50 0 DEAARN CCc1nc([C@H]2CCCN(C(=O)c3cnc(C)s3)C2)no1 ZINC000067882593 402177375 /nfs/dbraw/zinc/17/73/75/402177375.db2.gz SKAQPVPNJSZVFW-JTQLQIEISA-N 0 0 306.391 2.417 50 0 DEAARN Cc1cc(C)n(C[C@@H](C)Nc2ccc(-c3nccn3C)nn2)n1 ZINC000067894400 402177654 /nfs/dbraw/zinc/17/76/54/402177654.db2.gz LKHQCOBUWCYAAY-GFCCVEGCSA-N 0 0 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/nfs/dbraw/zinc/42/86/22/193428622.db2.gz RONBIIRKCIESNO-AWEZNQCLSA-N 0 0 323.414 2.097 50 0 DEAARN COCCCCCS(=O)(=O)c1ncccc1Br ZINC000095426036 193443180 /nfs/dbraw/zinc/44/31/80/193443180.db2.gz JCCMGQUGTOZJOE-UHFFFAOYSA-N 0 0 322.224 2.435 50 0 DEAARN COC(=O)C1CCC(NC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000095958844 193459814 /nfs/dbraw/zinc/45/98/14/193459814.db2.gz YWGIJDGHXQBWAH-VXGQWTEUSA-N 0 0 311.422 2.430 50 0 DEAARN C[C@H](CSCc1nc(C(C)(C)C)no1)CS(C)(=O)=O ZINC000095965083 193462469 /nfs/dbraw/zinc/46/24/69/193462469.db2.gz GEZMSBJPTGBYPD-SECBINFHSA-N 0 0 306.453 2.281 50 0 DEAARN O=C(NC[C@@H]1CCCS1)N1CCc2ccccc2[C@@H]1CO ZINC000095966620 193464663 /nfs/dbraw/zinc/46/46/63/193464663.db2.gz ZGVFENGXSIBCSB-ZFWWWQNUSA-N 0 0 306.431 2.183 50 0 DEAARN O=C(CC1(O)CCCCC1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000095968727 193466226 /nfs/dbraw/zinc/46/62/26/193466226.db2.gz LKZCQRFDFQSIIR-OAHLLOKOSA-N 0 0 322.449 2.122 50 0 DEAARN CN(C)c1ccnc(CNC(=O)c2ccccc2C(F)(F)F)n1 ZINC000096121003 193545916 /nfs/dbraw/zinc/54/59/16/193545916.db2.gz VNMHIJPGCIOMJM-UHFFFAOYSA-N 0 0 324.306 2.491 50 0 DEAARN COc1ccc(CCNC(=O)[C@@H](C)Sc2nncs2)cc1 ZINC000007816229 181500723 /nfs/dbraw/zinc/50/07/23/181500723.db2.gz ZCZNRSSVFSYHJU-SNVBAGLBSA-N 0 0 323.443 2.386 50 0 DEAARN Cc1cc(NC(=O)N2CC[C@@H](O)C2)n(-c2ccccc2C)n1 ZINC000096162268 193558319 /nfs/dbraw/zinc/55/83/19/193558319.db2.gz PMPZORXIJMYAJM-CYBMUJFWSA-N 0 0 300.362 2.088 50 0 DEAARN COc1ccc(C(=O)NCCc2nc(-c3ccco3)no2)cc1 ZINC000096292946 193610463 /nfs/dbraw/zinc/61/04/63/193610463.db2.gz DUYRVLBKISKSFU-UHFFFAOYSA-N 0 0 313.313 2.311 50 0 DEAARN CSC[C@@H](C)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000096410547 193623545 /nfs/dbraw/zinc/62/35/45/193623545.db2.gz CEWVJUHJTLRHHC-LLVKDONJSA-N 0 0 313.492 2.401 50 0 DEAARN CN1CC[C@H](NC(=O)NCC(C)(C)c2cccc(Cl)c2)C1=O ZINC000096415349 193627085 /nfs/dbraw/zinc/62/70/85/193627085.db2.gz PAAZZZSWAKIFAY-ZDUSSCGKSA-N 0 0 323.824 2.148 50 0 DEAARN CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccccc1F ZINC000096416118 193628338 /nfs/dbraw/zinc/62/83/38/193628338.db2.gz LWRDLITXPXLVPS-UHFFFAOYSA-N 0 0 310.369 2.212 50 0 DEAARN CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@H](C)n2ccnc2)c1 ZINC000096408967 193622495 /nfs/dbraw/zinc/62/24/95/193622495.db2.gz QVZXXIGEEFQLKM-BBRMVZONSA-N 0 0 317.389 2.081 50 0 DEAARN COC(=O)[C@@H]1CN(Cc2ncc(-c3ccccc3C)o2)CCO1 ZINC000096441411 193646786 /nfs/dbraw/zinc/64/67/86/193646786.db2.gz UBVTWVXXZQDWQS-HNNXBMFYSA-N 0 0 316.357 2.024 50 0 DEAARN Cc1nnc2ccc(C(=O)O[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cn12 ZINC000096442541 193647561 /nfs/dbraw/zinc/64/75/61/193647561.db2.gz IDIYDESNHSOWIX-AEGPPILISA-N 0 0 315.373 2.398 50 0 DEAARN CO[C@@]1(C)C[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1(C)C ZINC000096443847 193648382 /nfs/dbraw/zinc/64/83/82/193648382.db2.gz JHQNBZHSVDRETP-LRDDRELGSA-N 0 0 324.446 2.140 50 0 DEAARN Cc1ncc(Cl)c(C(=O)N2CC(=O)N(C)c3ccccc32)n1 ZINC000096450788 193652732 /nfs/dbraw/zinc/65/27/32/193652732.db2.gz PQYAHLWQDABICG-UHFFFAOYSA-N 0 0 316.748 2.062 50 0 DEAARN CC[C@H](NC(=O)CS(=O)(=O)C(C)C)c1cc(F)ccc1F ZINC000096419011 193630795 /nfs/dbraw/zinc/63/07/95/193630795.db2.gz GNSRLTYWDWATEY-ZDUSSCGKSA-N 0 0 319.373 2.355 50 0 DEAARN CN(C)C(=O)c1cccc(CCNC(=O)c2ccsc2)c1 ZINC000096423171 193633322 /nfs/dbraw/zinc/63/33/22/193633322.db2.gz WMSXWMFQBZKWIB-UHFFFAOYSA-N 0 0 302.399 2.422 50 0 DEAARN CC(C)[C@@H](C(=O)Nc1ccc([S@](C)=O)cc1)N1CCCC1=O ZINC000096426996 193636803 /nfs/dbraw/zinc/63/68/03/193636803.db2.gz HPVHRCWSJNNTKM-OYHNWAKOSA-N 0 0 322.430 2.010 50 0 DEAARN CNC(=O)c1cccnc1NCc1ccc(Cn2cccn2)cc1 ZINC000096429151 193638089 /nfs/dbraw/zinc/63/80/89/193638089.db2.gz RIDKISCYIAIQQO-UHFFFAOYSA-N 0 0 321.384 2.298 50 0 DEAARN CCn1ccc2ccc(NC(=O)N[C@@H](C)Cn3cncn3)cc21 ZINC000096435089 193642362 /nfs/dbraw/zinc/64/23/62/193642362.db2.gz KWOXVQRKXOSMSJ-LBPRGKRZSA-N 0 0 312.377 2.463 50 0 DEAARN CC(C)c1nnc(S(=O)(=O)C[C@H]2CCCCO2)n1C1CC1 ZINC000096451868 193653481 /nfs/dbraw/zinc/65/34/81/193653481.db2.gz AZNYXYWQWWBQEH-GFCCVEGCSA-N 0 0 313.423 2.079 50 0 DEAARN O=C(/C=C\c1ccccc1Cl)OCC(=O)NC[C@H]1CCCO1 ZINC000096462926 193658466 /nfs/dbraw/zinc/65/84/66/193658466.db2.gz AJCQBBHYQSRAGT-MEJMFZKBSA-N 0 0 323.776 2.192 50 0 DEAARN CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1 ZINC000008258708 181540489 /nfs/dbraw/zinc/54/04/89/181540489.db2.gz XRIHBYVTJHKYEM-LBPRGKRZSA-N 0 0 314.341 2.426 50 0 DEAARN O=c1c(Cl)c(N2CCC[C@@H](CO)C2)cnn1-c1ccccc1 ZINC000008177869 181532910 /nfs/dbraw/zinc/53/29/10/181532910.db2.gz SYTMDLATZJAWRD-GFCCVEGCSA-N 0 0 319.792 2.095 50 0 DEAARN Cc1ccccc1[C@@H](NS(=O)(=O)C[C@H]1CCOC1)C1CC1 ZINC000264808740 204173632 /nfs/dbraw/zinc/17/36/32/204173632.db2.gz ATVXJLKLUUHXGR-BBRMVZONSA-N 0 0 309.431 2.402 50 0 DEAARN C[C@@H](Sc1nc(N)n[nH]1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000008489709 181559340 /nfs/dbraw/zinc/55/93/40/181559340.db2.gz NANFWMPYBPGTLY-BXKDBHETSA-N 0 0 317.418 2.061 50 0 DEAARN CCC[C@H]1NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O ZINC000008707496 181576289 /nfs/dbraw/zinc/57/62/89/181576289.db2.gz 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RCAAVBXQJGFJSN-UHFFFAOYSA-N 0 0 324.384 2.268 50 0 DEAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1C ZINC000013946810 181913803 /nfs/dbraw/zinc/91/38/03/181913803.db2.gz SRWKGDJLIOLCHD-UHFFFAOYSA-N 0 0 310.463 2.165 50 0 DEAARN CCOC(=O)c1ccoc1Cn1cnc2sccc2c1=O ZINC000014188893 181935616 /nfs/dbraw/zinc/93/56/16/181935616.db2.gz PUMCUENIJQLGIS-UHFFFAOYSA-N 0 0 304.327 2.276 50 0 DEAARN CCC[C@@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000014199972 181936657 /nfs/dbraw/zinc/93/66/57/181936657.db2.gz VOANMUMISGISCO-CYBMUJFWSA-N 0 0 304.390 2.497 50 0 DEAARN O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000005258712 304169562 /nfs/dbraw/zinc/16/95/62/304169562.db2.gz RVCGCSYDKAUSCL-ZDUSSCGKSA-N 0 0 312.316 2.233 50 0 DEAARN Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C(N)=O)no1 ZINC000015394136 181999698 /nfs/dbraw/zinc/99/96/98/181999698.db2.gz YFHALPREZKQXPE-QMMMGPOBSA-N 0 0 323.736 2.141 50 0 DEAARN O=C(c1ccc(-n2cncn2)cc1)N1CCc2ccccc2C1 ZINC000015627405 182009560 /nfs/dbraw/zinc/00/95/60/182009560.db2.gz POSSCLOSWQKCLT-UHFFFAOYSA-N 0 0 304.353 2.466 50 0 DEAARN CCc1nn2c(nc(COC(=O)C(CC)CC)cc2=O)s1 ZINC000015734014 182014450 /nfs/dbraw/zinc/01/44/50/182014450.db2.gz KAJJJDMNNRIKDW-UHFFFAOYSA-N 0 0 309.391 2.193 50 0 DEAARN CCCC[C@H](CO)NC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000097370443 193711639 /nfs/dbraw/zinc/71/16/39/193711639.db2.gz PGQFXQJGKJMKTH-LLVKDONJSA-N 0 0 303.362 2.063 50 0 DEAARN Cn1cnc(-c2cccc(NC(=O)NCCc3ccccn3)c2)n1 ZINC000097373474 193712145 /nfs/dbraw/zinc/71/21/45/193712145.db2.gz CZKNABMXNIWELC-UHFFFAOYSA-N 0 0 322.372 2.241 50 0 DEAARN CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)OC)o2)n1 ZINC000016049278 182031000 /nfs/dbraw/zinc/03/10/00/182031000.db2.gz FVEVWRVCMUFADZ-UHFFFAOYSA-N 0 0 308.359 2.394 50 0 DEAARN Cc1cc(C)nc(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000097378630 193714031 /nfs/dbraw/zinc/71/40/31/193714031.db2.gz UQYDPMMMZPLZMB-LBPRGKRZSA-N 0 0 316.361 2.118 50 0 DEAARN O=C1NC2(CCCC2)C(=O)N1Cc1cc2c(c(Cl)c1)OCO2 ZINC000016339177 182040882 /nfs/dbraw/zinc/04/08/82/182040882.db2.gz IHVIULSZBTVHEV-UHFFFAOYSA-N 0 0 322.748 2.433 50 0 DEAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1c(N)nnc1SC ZINC000016626702 182054329 /nfs/dbraw/zinc/05/43/29/182054329.db2.gz DGYOSVOIPGOEBC-SNVBAGLBSA-N 0 0 309.370 2.311 50 0 DEAARN COc1ccc(-c2nc(CC(=O)N3CCOCC3)cs2)cc1 ZINC000016642902 182055241 /nfs/dbraw/zinc/05/52/41/182055241.db2.gz LZCIPENYSMVEKF-UHFFFAOYSA-N 0 0 318.398 2.220 50 0 DEAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCOCC1 ZINC000016642720 182055557 /nfs/dbraw/zinc/05/55/57/182055557.db2.gz WMRTZESRWCWIGG-UHFFFAOYSA-N 0 0 323.755 2.446 50 0 DEAARN CCn1ccc(CNC(=S)Nc2ccc(OC)cc2OC)n1 ZINC000017055363 182072683 /nfs/dbraw/zinc/07/26/83/182072683.db2.gz DMULTXMDOMKEDX-UHFFFAOYSA-N 0 0 320.418 2.407 50 0 DEAARN CCNC(=O)[C@H](C)Sc1nnc(-c2cccc(OC)c2)n1C ZINC000017711140 182085131 /nfs/dbraw/zinc/08/51/31/182085131.db2.gz GVRZTDKSUSWIJW-JTQLQIEISA-N 0 0 320.418 2.107 50 0 DEAARN COc1ccc(CN(C)C(=O)c2ccc(=O)[nH]c2)c(OC)c1 ZINC000017919622 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/nfs/dbraw/zinc/78/39/85/401783985.db2.gz BNNWKTYEZQFDLV-HYXAFXHYSA-N 0 0 321.095 2.208 50 0 DEAARN COC(=O)c1ccccc1[S@]1=NS(=O)(=O)c2ccccc21 ZINC000012368366 401784148 /nfs/dbraw/zinc/78/41/48/401784148.db2.gz HLFGURZXLYBXIF-FQEVSTJZSA-N 0 0 321.379 2.395 50 0 DEAARN CC(C)c1ccccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000012401755 401784969 /nfs/dbraw/zinc/78/49/69/401784969.db2.gz FFFNABPPSRXCAC-UHFFFAOYSA-N 0 0 318.402 2.206 50 0 DEAARN Cc1nc(NC(=O)NCCn2cccn2)ccc1Br ZINC000128639140 401785954 /nfs/dbraw/zinc/78/59/54/401785954.db2.gz QWHDMIOXSQMZDW-UHFFFAOYSA-N 0 0 324.182 2.171 50 0 DEAARN O=C(N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccccc1 ZINC000012460433 401786271 /nfs/dbraw/zinc/78/62/71/401786271.db2.gz ZWULLUCGBDZORT-QGZVFWFLSA-N 0 0 324.380 2.017 50 0 DEAARN Cc1ccc(SCCCC(=O)N2CCNC(=O)[C@@H]2C)cc1 ZINC000012443700 401786308 /nfs/dbraw/zinc/78/63/08/401786308.db2.gz ZHIRZWVEAFFYIM-ZDUSSCGKSA-N 0 0 306.431 2.214 50 0 DEAARN COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cn1 ZINC000012542688 401787662 /nfs/dbraw/zinc/78/76/62/401787662.db2.gz YXCFMBTYGMALMH-UHFFFAOYSA-N 0 0 315.354 2.387 50 0 DEAARN COc1nc(C(=O)N2CCC[C@H](OC)C2)cc2ccccc21 ZINC000076244175 401787749 /nfs/dbraw/zinc/78/77/49/401787749.db2.gz HDXCPEFADRKWLF-ZDUSSCGKSA-N 0 0 300.358 2.494 50 0 DEAARN Cc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000012588737 401788689 /nfs/dbraw/zinc/78/86/89/401788689.db2.gz ZYKCJZQRLJYTTN-YUSALJHKSA-N 0 0 309.435 2.111 50 0 DEAARN COc1ccc(C[C@@H]2CN(C(=O)c3ocnc3C)CCO2)cc1 ZINC000012591532 401788807 /nfs/dbraw/zinc/78/88/07/401788807.db2.gz BQURYQOJRPKLLE-OAHLLOKOSA-N 0 0 316.357 2.075 50 0 DEAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-n1cnnn1 ZINC000012600703 401789001 /nfs/dbraw/zinc/78/90/01/401789001.db2.gz HXIUGVUOMOGPQY-UHFFFAOYSA-N 0 0 323.400 2.361 50 0 DEAARN O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000012623064 401789561 /nfs/dbraw/zinc/78/95/61/401789561.db2.gz OSDZLORBXLSNRZ-CQSZACIVSA-N 0 0 324.336 2.078 50 0 DEAARN Cc1occc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000012647801 401789727 /nfs/dbraw/zinc/78/97/27/401789727.db2.gz KWXSLXYYIYHYOC-UHFFFAOYSA-N 0 0 320.370 2.380 50 0 DEAARN CN1CCC[C@@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1=O ZINC000012716827 401790414 /nfs/dbraw/zinc/79/04/14/401790414.db2.gz IJTXJOIMDFHKLM-IBGZPJMESA-N 0 0 323.396 2.319 50 0 DEAARN Cc1ccnc2nc(C(=O)N(Cc3ccccc3)C3CC3)nn21 ZINC000012738978 401791110 /nfs/dbraw/zinc/79/11/10/401791110.db2.gz BXXRZTKNSMCJJX-UHFFFAOYSA-N 0 0 307.357 2.238 50 0 DEAARN Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000012758753 401791173 /nfs/dbraw/zinc/79/11/73/401791173.db2.gz KZVNWYDZFCZVFH-UHFFFAOYSA-N 0 0 316.329 2.390 50 0 DEAARN COC(=O)/C=C/c1ccc(OCC(=O)NCC(C)C)c(OC)c1 ZINC000012789564 401791521 /nfs/dbraw/zinc/79/15/21/401791521.db2.gz IBNRYIDGVDVLMV-SOFGYWHQSA-N 0 0 321.373 2.032 50 0 DEAARN O=C(Oc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012848260 401792722 /nfs/dbraw/zinc/79/27/22/401792722.db2.gz GWYBQIRISKFNRF-UHFFFAOYSA-N 0 0 317.366 2.347 50 0 DEAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1nccs1 ZINC000012858971 401792799 /nfs/dbraw/zinc/79/27/99/401792799.db2.gz MQRRZPZCOBTWEL-UHFFFAOYSA-N 0 0 322.371 2.050 50 0 DEAARN O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cnccn1 ZINC000012861913 401792893 /nfs/dbraw/zinc/79/28/93/401792893.db2.gz UUUVVDOBCKCARK-UHFFFAOYSA-N 0 0 300.293 2.217 50 0 DEAARN NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)CCCC3)n1 ZINC000012877338 401792907 /nfs/dbraw/zinc/79/29/07/401792907.db2.gz CQJCBKYNWCDMEC-UHFFFAOYSA-N 0 0 315.398 2.302 50 0 DEAARN O=C(CCNS(=O)(=O)c1ccccc1)N1CCCCCCC1 ZINC000012891629 401793365 /nfs/dbraw/zinc/79/33/65/401793365.db2.gz GQLJXWWSYKIHLO-UHFFFAOYSA-N 0 0 324.446 2.148 50 0 DEAARN COC(=O)c1ccc(S(=O)(=O)NCCC2CCCC2)cc1 ZINC000012924401 401794239 /nfs/dbraw/zinc/79/42/39/401794239.db2.gz NJQCUYPHSQMZTA-UHFFFAOYSA-N 0 0 311.403 2.332 50 0 DEAARN O=C(CSc1ccccc1F)NCCCN1CCCC1=O ZINC000012975646 401794615 /nfs/dbraw/zinc/79/46/15/401794615.db2.gz YFXQREQTNONDKW-UHFFFAOYSA-N 0 0 310.394 2.047 50 0 DEAARN CCc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 ZINC000012993574 401794830 /nfs/dbraw/zinc/79/48/30/401794830.db2.gz XVWPXWZPOURWCG-UHFFFAOYSA-N 0 0 324.388 2.067 50 0 DEAARN COc1cc(Cl)c(C)cc1NC(=O)C1=NN(C)C(=O)CC1 ZINC000013006616 401795467 /nfs/dbraw/zinc/79/54/67/401795467.db2.gz VCOIXWQFQLEKHR-UHFFFAOYSA-N 0 0 309.753 2.204 50 0 DEAARN CCC(CC)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000013042383 401795945 /nfs/dbraw/zinc/79/59/45/401795945.db2.gz YYCKBTNWBIQHDY-UHFFFAOYSA-N 0 0 314.407 2.121 50 0 DEAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCCCCC1 ZINC000015390635 401817708 /nfs/dbraw/zinc/81/77/08/401817708.db2.gz RNVDFSDXWGIHME-UHFFFAOYSA-N 0 0 311.403 2.413 50 0 DEAARN Cc1cc(C(=O)N2CCOC[C@H](CO)C2)c(-c2ccccc2)o1 ZINC000077505484 401818020 /nfs/dbraw/zinc/81/80/20/401818020.db2.gz MVJUZISUJOQTFN-AWEZNQCLSA-N 0 0 315.369 2.336 50 0 DEAARN CNC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2C)c2ccccc2O1 ZINC000015497489 401818356 /nfs/dbraw/zinc/81/83/56/401818356.db2.gz FZTZRSBJJDVEFP-KRWDZBQOSA-N 0 0 324.380 2.457 50 0 DEAARN CN(Cc1nc(-c2ccncc2)no1)C(=O)Cc1ccsc1 ZINC000077539003 401819653 /nfs/dbraw/zinc/81/96/53/401819653.db2.gz LGWYPRGELXLHFR-UHFFFAOYSA-N 0 0 314.370 2.394 50 0 DEAARN CC(=O)N1CCN(c2nc(C)cc(Nc3ccccc3)n2)CC1 ZINC000017012144 401820314 /nfs/dbraw/zinc/82/03/14/401820314.db2.gz NAFTUUDTOBDAOQ-UHFFFAOYSA-N 0 0 311.389 2.197 50 0 DEAARN COc1ccc(C)cc1NC(=O)Cn1ccnc1[C@@H]1CCOC1 ZINC000077565760 401820497 /nfs/dbraw/zinc/82/04/97/401820497.db2.gz GPGRUDIRCIASBJ-CYBMUJFWSA-N 0 0 315.373 2.343 50 0 DEAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000017395811 401820583 /nfs/dbraw/zinc/82/05/83/401820583.db2.gz MZKAYKNNZKWABQ-UHFFFAOYSA-N 0 0 318.398 2.498 50 0 DEAARN CCC12CN3CC(CC)(CN(C1)C3c1ccc(O)cc1)C2O ZINC000019323661 401822218 /nfs/dbraw/zinc/82/22/18/401822218.db2.gz KBNGZCIUHXMRFL-UHFFFAOYSA-N 0 0 302.418 2.189 50 0 biogenic DEAARN CCCC12CN3CC(C)(CN(C1)C31CCOC(C)(C)C1)[C@@H]2O ZINC000019331517 401822324 /nfs/dbraw/zinc/82/23/24/401822324.db2.gz BHBGRWDRCBRKML-BMWKDGKBSA-N 0 0 308.466 2.070 50 0 biogenic DEAARN Cc1cccc(C)c1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000020418140 401823496 /nfs/dbraw/zinc/82/34/96/401823496.db2.gz JLGAQXSAVCLCBI-UHFFFAOYSA-N 0 0 324.428 2.459 50 0 DEAARN Cn1cc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cn1 ZINC000025305229 401832668 /nfs/dbraw/zinc/83/26/68/401832668.db2.gz PUUFMAQWDBFUBS-UHFFFAOYSA-N 0 0 323.278 2.427 50 0 DEAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCOCC1 ZINC000025266233 401832809 /nfs/dbraw/zinc/83/28/09/401832809.db2.gz YOVNWOWQXFSPNT-SNVBAGLBSA-N 0 0 313.195 2.108 50 0 DEAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCCCC1 ZINC000025404515 401833751 /nfs/dbraw/zinc/83/37/51/401833751.db2.gz PVLMERBEDGATNZ-GFCCVEGCSA-N 0 0 319.405 2.467 50 0 DEAARN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000025422883 401834556 /nfs/dbraw/zinc/83/45/56/401834556.db2.gz NKTMIYNJKBQGOD-CQSZACIVSA-N 0 0 316.401 2.103 50 0 DEAARN Cc1occc1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000025448435 401834595 /nfs/dbraw/zinc/83/45/95/401834595.db2.gz NBAGDBXXYZHQCL-UHFFFAOYSA-N 0 0 306.406 2.353 50 0 DEAARN CNC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000026429493 401840603 /nfs/dbraw/zinc/84/06/03/401840603.db2.gz FAXAFTROTPJPNQ-SNVBAGLBSA-N 0 0 321.304 2.289 50 0 DEAARN Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)cc1C ZINC000026850294 401842077 /nfs/dbraw/zinc/84/20/77/401842077.db2.gz VXYVQQPTJOCKOB-OAHLLOKOSA-N 0 0 319.430 2.393 50 0 DEAARN COc1cc2nc(CN(C(C)C)C3CC3)[nH]c(=O)c2cc1OC ZINC000026940913 401842766 /nfs/dbraw/zinc/84/27/66/401842766.db2.gz GMQPSEVIZVFXPC-UHFFFAOYSA-N 0 0 317.389 2.313 50 0 DEAARN COc1nc(N(C)C)nc(N(C#N)Cc2ccc(Cl)cc2)n1 ZINC000026952323 401843240 /nfs/dbraw/zinc/84/32/40/401843240.db2.gz ZVMKIHJHSBQJDK-UHFFFAOYSA-N 0 0 318.768 2.087 50 0 DEAARN Cc1cccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)n1 ZINC000027655396 401846715 /nfs/dbraw/zinc/84/67/15/401846715.db2.gz AAMKOCVOMVZTKF-UHFFFAOYSA-N 0 0 304.371 2.354 50 0 DEAARN Cc1ccnc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 ZINC000027648666 401847053 /nfs/dbraw/zinc/84/70/53/401847053.db2.gz WSWXZTWOGQGFAJ-UHFFFAOYSA-N 0 0 304.371 2.187 50 0 DEAARN C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000027866218 401847455 /nfs/dbraw/zinc/84/74/55/401847455.db2.gz BFXKEXQYBPEIKU-SKDRFNHKSA-N 0 0 311.765 2.409 50 0 DEAARN CC(C)CN1C[C@@H](C(=O)Nc2n[nH]c3ccccc32)CC1=O ZINC000078371066 401848699 /nfs/dbraw/zinc/84/86/99/401848699.db2.gz UVIZTOVIHGQJCY-NSHDSACASA-N 0 0 300.362 2.006 50 0 DEAARN CC1(C)NC(=O)N(CCSc2nc3ccccc3o2)C1=O ZINC000028008442 401849084 /nfs/dbraw/zinc/84/90/84/401849084.db2.gz RYQMFPOAYAIABC-UHFFFAOYSA-N 0 0 305.359 2.250 50 0 DEAARN CC1(C)NC(=O)N(CCSc2ccc(F)c(F)c2)C1=O ZINC000028014628 401849354 /nfs/dbraw/zinc/84/93/54/401849354.db2.gz GPYQXYOWWNTMSH-UHFFFAOYSA-N 0 0 300.330 2.387 50 0 DEAARN CC(=O)N1CCC(NC(=O)CSCc2cccc(F)c2)CC1 ZINC000078394037 401850018 /nfs/dbraw/zinc/85/00/18/401850018.db2.gz LJHZBAANQZWAQR-UHFFFAOYSA-N 0 0 324.421 2.186 50 0 DEAARN Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)c(Cl)c1 ZINC000028326443 401851687 /nfs/dbraw/zinc/85/16/87/401851687.db2.gz YFLADBJMMIOCDE-PWSUYJOCSA-N 0 0 303.811 2.494 50 0 DEAARN CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000028776081 401853121 /nfs/dbraw/zinc/85/31/21/401853121.db2.gz FOWXGTPHAQAWQY-UHFFFAOYSA-N 0 0 318.398 2.432 50 0 DEAARN COc1ccccc1CC(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000029218753 401855035 /nfs/dbraw/zinc/85/50/35/401855035.db2.gz ZERXBPOVOPQILO-UHFFFAOYSA-N 0 0 322.368 2.135 50 0 DEAARN COc1cc(CNC(=O)c2cccc(OC)c2OC)ccn1 ZINC000029196018 401855240 /nfs/dbraw/zinc/85/52/40/401855240.db2.gz TUAQOJBJYQISIN-UHFFFAOYSA-N 0 0 302.330 2.037 50 0 DEAARN CCNc1cnn(-c2ccccc2C(=O)OC)c(=O)c1Cl ZINC000029229981 401855263 /nfs/dbraw/zinc/85/52/63/401855263.db2.gz XBTZQHOXEVBJJU-UHFFFAOYSA-N 0 0 307.737 2.104 50 0 DEAARN COc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)ccn1 ZINC000029197428 401855272 /nfs/dbraw/zinc/85/52/72/401855272.db2.gz WLWIXBNFKFMCFH-UHFFFAOYSA-N 0 0 311.263 2.434 50 0 DEAARN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)CC2CCCCC2)on1 ZINC000078556406 401855592 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401861663 /nfs/dbraw/zinc/86/16/63/401861663.db2.gz YNJYOSLEGFHKEW-OAHLLOKOSA-N 0 0 311.341 2.451 50 0 DEAARN CC(C)[C@H](C)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000031715668 401872779 /nfs/dbraw/zinc/87/27/79/401872779.db2.gz SRGGSMPQKYMRQG-ZDUSSCGKSA-N 0 0 324.446 2.343 50 0 DEAARN CC(=O)N1CCC2(CC1)Nc1c3ccccc3sc1C(=O)N2 ZINC000078764847 401865194 /nfs/dbraw/zinc/86/51/94/401865194.db2.gz PKFSZBKFBGGTGT-UHFFFAOYSA-N 0 0 315.398 2.395 50 0 DEAARN CCCCNC(=O)Cc1noc([C@H]2C[C@@H]2c2cccnc2)n1 ZINC000078773519 401865223 /nfs/dbraw/zinc/86/52/23/401865223.db2.gz OIXYEPXMXGYHTP-OLZOCXBDSA-N 0 0 300.362 2.195 50 0 DEAARN CC[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCO1 ZINC000030855310 401866460 /nfs/dbraw/zinc/86/64/60/401866460.db2.gz SYVKWNSDCPMRCN-LLVKDONJSA-N 0 0 311.765 2.362 50 0 DEAARN Cn1ncc(C(=O)NCCc2ccccc2F)c1-n1cccc1 ZINC000030928588 401867199 /nfs/dbraw/zinc/86/71/99/401867199.db2.gz UXWOXUMGDIMIED-UHFFFAOYSA-N 0 0 312.348 2.322 50 0 DEAARN Cc1cc(N2CCOCC2)n2nc(-c3ccccc3C)nc2n1 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319.302 2.431 50 0 DEAARN CNC(=O)CNC(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000253420335 283324114 /nfs/dbraw/zinc/32/41/14/283324114.db2.gz QHQUZXVBDAEVPQ-FZMZJTMJSA-N 0 0 315.417 2.332 50 0 DEAARN COc1c(C)cc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1C ZINC000180331850 199146635 /nfs/dbraw/zinc/14/66/35/199146635.db2.gz CYCOGAFBJMNUBT-UONOGXRCSA-N 0 0 304.390 2.086 50 0 DEAARN CCOC(=O)[C@@H](NC(=O)c1ccn(C)n1)C1CCCCCC1 ZINC000594190547 358220459 /nfs/dbraw/zinc/22/04/59/358220459.db2.gz ANHHHROSTSEURQ-AWEZNQCLSA-N 0 0 307.394 2.052 50 0 DEAARN Cc1c(NC(=O)NCc2cccc(OC3CC3)c2F)nnn1C ZINC000667255801 540425106 /nfs/dbraw/zinc/42/51/06/540425106.db2.gz XMPYLUYQGCROOT-UHFFFAOYSA-N 0 0 319.340 2.126 50 0 DEAARN CCn1cnnc1[C@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000089310053 192764337 /nfs/dbraw/zinc/76/43/37/192764337.db2.gz OHRSWECPBJGJRY-GWJCSSMESA-N 0 0 300.362 2.310 50 0 DEAARN CC(=O)N1CCN(Cc2cccc(NC(=O)C(C)(C)C)c2)CC1 ZINC000187163768 200070390 /nfs/dbraw/zinc/07/03/90/200070390.db2.gz 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/nfs/dbraw/zinc/89/12/56/192891256.db2.gz SJGGTQVYYBMARG-AWEZNQCLSA-N 0 0 320.295 2.312 50 0 DEAARN CC(C)CCC(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000006000821 181304883 /nfs/dbraw/zinc/30/48/83/181304883.db2.gz XZSAAWLWKFIHFS-LBPRGKRZSA-N 0 0 321.373 2.399 50 0 DEAARN COc1ccc(-c2nc(CC(C)=O)[nH]c(=S)n2)cc1OC ZINC000006055530 181308596 /nfs/dbraw/zinc/30/85/96/181308596.db2.gz KTAAJCCMRMDWTJ-UHFFFAOYSA-N 0 0 305.359 2.350 50 0 DEAARN C[C@H](C1CC1)n1nccc1NC(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000669312768 540814517 /nfs/dbraw/zinc/81/45/17/540814517.db2.gz QAXCVYZBPSVMBY-FAAHXZRKSA-N 0 0 318.421 2.479 50 0 DEAARN Cc1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000006082767 181311171 /nfs/dbraw/zinc/31/11/71/181311171.db2.gz PLYNUKGVGAWETM-UHFFFAOYSA-N 0 0 300.358 2.253 50 0 DEAARN Cc1c(O)ccc2c(CSc3nncn3C)cc(=O)oc12 ZINC000006063146 181310029 /nfs/dbraw/zinc/31/00/29/181310029.db2.gz ILXYQXVDXRVGGM-UHFFFAOYSA-N 0 0 303.343 2.228 50 0 DEAARN CCC(CC)NC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000006110913 181313484 /nfs/dbraw/zinc/31/34/84/181313484.db2.gz VABXQQYXOGFUEK-UHFFFAOYSA-N 0 0 307.419 2.380 50 0 DEAARN CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000669680848 540879481 /nfs/dbraw/zinc/87/94/81/540879481.db2.gz WZNIJMOPSIQZAG-ZDUSSCGKSA-N 0 0 321.398 2.472 50 0 DEAARN CC(C)S(=O)(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000670441179 540933689 /nfs/dbraw/zinc/93/36/89/540933689.db2.gz WMGHGPXVNLCQSP-UHFFFAOYSA-N 0 0 301.799 2.386 50 0 DEAARN CC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)c1cccs1 ZINC000670445121 540934444 /nfs/dbraw/zinc/93/44/44/540934444.db2.gz CYCZZMZFMZWEHA-GFCCVEGCSA-N 0 0 318.464 2.144 50 0 DEAARN Cc1csc(S(=O)(=O)N(C)CC2(CO)CCCC2)c1 ZINC000670445259 540934730 /nfs/dbraw/zinc/93/47/30/540934730.db2.gz JQEIHXCBZPUESP-UHFFFAOYSA-N 0 0 303.449 2.230 50 0 DEAARN CN(Cc1cnc2ccccn12)S(=O)(=O)CC1CCCC1 ZINC000670452008 540935710 /nfs/dbraw/zinc/93/57/10/540935710.db2.gz ORNYVQVOJVKNNI-UHFFFAOYSA-N 0 0 307.419 2.286 50 0 DEAARN CN(Cc1cccc(O)c1)C(=O)NC[C@H]1CC[C@H](CO)CC1 ZINC000670461962 540937718 /nfs/dbraw/zinc/93/77/18/540937718.db2.gz BTEJIDLMLIYFTL-HDJSIYSDSA-N 0 0 306.406 2.332 50 0 DEAARN Cc1cc(C)n(CCN(C)[C@@H](C)C(=O)NCc2ccccc2)n1 ZINC000670469118 540938024 /nfs/dbraw/zinc/93/80/24/540938024.db2.gz CXBQNGPPKJIGAE-INIZCTEOSA-N 0 0 314.433 2.137 50 0 DEAARN Cc1nc(CNC(=O)c2cnc(-c3ccccn3)nc2)cs1 ZINC000670468305 540938471 /nfs/dbraw/zinc/93/84/71/540938471.db2.gz ZLTABHJECVIGPP-UHFFFAOYSA-N 0 0 311.370 2.234 50 0 DEAARN COc1ccccc1N1CCC[C@@H](NC(=O)C=C(C)C)C1=O ZINC000089914076 192904764 /nfs/dbraw/zinc/90/47/64/192904764.db2.gz WQORUFIGSDMWMT-CYBMUJFWSA-N 0 0 302.374 2.273 50 0 DEAARN Cc1cccc(N2CCN(C(=O)c3ncccc3O)CC2)c1C ZINC000193890937 201140246 /nfs/dbraw/zinc/14/02/46/201140246.db2.gz WAAYIXYAIBPPES-UHFFFAOYSA-N 0 0 311.385 2.366 50 0 DEAARN Cc1nc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000193977727 201155317 /nfs/dbraw/zinc/15/53/17/201155317.db2.gz RMOQZUKKVGAMDB-QWRGUYRKSA-N 0 0 307.375 2.168 50 0 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309.435 2.150 50 0 DEAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2cnnc2)cc1 ZINC000006701924 181373452 /nfs/dbraw/zinc/37/34/52/181373452.db2.gz OCIRLKRRCGWWLR-UHFFFAOYSA-N 0 0 322.324 2.291 50 0 DEAARN COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1 ZINC000006704097 181375431 /nfs/dbraw/zinc/37/54/31/181375431.db2.gz UYCDERQROJRKOX-KBPBESRZSA-N 0 0 316.401 2.307 50 0 DEAARN CCCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)CC ZINC000006730276 181378110 /nfs/dbraw/zinc/37/81/10/181378110.db2.gz XRBTYSOQQXUNNU-GFCCVEGCSA-N 0 0 324.446 2.453 50 0 DEAARN CCCCN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000006729840 181378162 /nfs/dbraw/zinc/37/81/62/181378162.db2.gz UFSBHRZVTQWSCB-LBPRGKRZSA-N 0 0 324.446 2.405 50 0 DEAARN CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000006747295 181381857 /nfs/dbraw/zinc/38/18/57/181381857.db2.gz WRSAVORDQAWMAE-UHFFFAOYSA-N 0 0 324.446 2.467 50 0 DEAARN CC[C@H](C)NC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782405 181387781 /nfs/dbraw/zinc/38/77/81/181387781.db2.gz 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C[C@H](c1ccon1)N(C)C(=O)C1CCN(C(=O)C2CCC2)CC1 ZINC000091830479 193113798 /nfs/dbraw/zinc/11/37/98/193113798.db2.gz SBAUXUBZNHJWER-GFCCVEGCSA-N 0 0 319.405 2.233 50 0 DEAARN Cc1cc(C)c(C(=O)NC[C@@H](C)N(C)c2ccccc2)c(=O)[nH]1 ZINC000091932872 193129243 /nfs/dbraw/zinc/12/92/43/193129243.db2.gz BFQWFPNLSJIPES-CQSZACIVSA-N 0 0 313.401 2.246 50 0 DEAARN CC(C)=CCN1CC2(CC1=O)CCN(c1cnccn1)CC2 ZINC000092038984 193146427 /nfs/dbraw/zinc/14/64/27/193146427.db2.gz PUMLRZKKEIKIBZ-UHFFFAOYSA-N 0 0 300.406 2.262 50 0 DEAARN Cc1nn(CCNC(=O)c2ccc3nccn3c2)c(C)c1Cl ZINC000092062124 193150307 /nfs/dbraw/zinc/15/03/07/193150307.db2.gz SOUQSMAVMSTPRT-UHFFFAOYSA-N 0 0 317.780 2.231 50 0 DEAARN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCc3ncccc3C1)C2 ZINC000092062070 193150314 /nfs/dbraw/zinc/15/03/14/193150314.db2.gz DWRPXYPQKLQOCV-HNNXBMFYSA-N 0 0 324.380 2.226 50 0 DEAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ncnn1C ZINC000092065984 193151151 /nfs/dbraw/zinc/15/11/51/193151151.db2.gz FGLMTHYHUUSFOA-CYBMUJFWSA-N 0 0 324.384 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CC(C)Cc1cc(C(=O)N(C)Cc2[nH]nc3c2CCC3)n(C)n1 ZINC000067872642 402177110 /nfs/dbraw/zinc/17/71/10/402177110.db2.gz CDPQLMBURKVLMI-UHFFFAOYSA-N 0 0 315.421 2.103 50 0 DEAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCc1nc(C)cc(=O)[nH]1 ZINC000067884038 402177588 /nfs/dbraw/zinc/17/75/88/402177588.db2.gz KVKXQLBUFCNJSI-UHFFFAOYSA-N 0 0 324.384 2.415 50 0 DEAARN O=C(NCc1cccs1)NCc1nc(-c2ccco2)no1 ZINC000069150581 402214893 /nfs/dbraw/zinc/21/48/93/402214893.db2.gz SGCRMGHPESZJSF-UHFFFAOYSA-N 0 0 304.331 2.391 50 0 DEAARN CCN(Cc1ccccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000069323379 402218491 /nfs/dbraw/zinc/21/84/91/402218491.db2.gz SDVAKKZTQHRQLS-HNNXBMFYSA-N 0 0 311.447 2.483 50 0 DEAARN CC[C@@H]1CN(C(=O)Cn2ccc(-c3cccs3)n2)CCO1 ZINC000069349105 402218732 /nfs/dbraw/zinc/21/87/32/402218732.db2.gz CVEGBSQQZREMPJ-GFCCVEGCSA-N 0 0 305.403 2.249 50 0 DEAARN CC(=O)NCCC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000069349045 402219055 /nfs/dbraw/zinc/21/90/55/402219055.db2.gz DVKRDXSKEFTYGP-YPMHNXCESA-N 0 0 314.307 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CCOc1c(OC)cccc1-c1nc2c([nH]1)C(=O)NCCC2 ZINC000095501712 185375112 /nfs/dbraw/zinc/37/51/12/185375112.db2.gz CBGFTEAIWYFJFN-UHFFFAOYSA-N 0 0 301.346 2.160 50 0 DEAARN CCn1ncnc1[C@H](C)NC(=O)Cn1ccnc1-c1ccccc1 ZINC000095507457 185375596 /nfs/dbraw/zinc/37/55/96/185375596.db2.gz LTXFEZFJWXDQHS-ZDUSSCGKSA-N 0 0 324.388 2.039 50 0 DEAARN Cc1nc(C)n(CCCNC(=O)Nc2ccc(Cl)nc2C)n1 ZINC000095511118 185376033 /nfs/dbraw/zinc/37/60/33/185376033.db2.gz KPHPVNAHVHOEII-UHFFFAOYSA-N 0 0 322.800 2.464 50 0 DEAARN COc1cccc2c1OC[C@@H](CNC(=O)c1cccn1C)C2 ZINC000095511891 185376423 /nfs/dbraw/zinc/37/64/23/185376423.db2.gz INGCTQZTSAMQTJ-GFCCVEGCSA-N 0 0 300.358 2.015 50 0 DEAARN Cn1cnc(-c2cccc(NC(=O)N[C@H](CO)C(C)(C)C)c2)n1 ZINC000162135045 197547657 /nfs/dbraw/zinc/54/76/57/197547657.db2.gz RPKQUIPYTOAZJD-CYBMUJFWSA-N 0 0 317.393 2.011 50 0 DEAARN CCC(C)(C)NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000076825942 185045533 /nfs/dbraw/zinc/04/55/33/185045533.db2.gz TXSMFOBMOWSBQW-UHFFFAOYSA-N 0 0 302.371 2.251 50 0 DEAARN O=C(OCC(F)F)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000076873863 185048005 /nfs/dbraw/zinc/04/80/05/185048005.db2.gz YTCBGSKBKLTBBI-UHFFFAOYSA-N 0 0 304.680 2.292 50 0 DEAARN COC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)CC1 ZINC000076985899 185063805 /nfs/dbraw/zinc/06/38/05/185063805.db2.gz LVSTZAQCMJAPOV-HZPDHXFCSA-N 0 0 316.401 2.399 50 0 DEAARN Cn1c2ccncc2n(Cc2cncn2C2CCCCC2)c1=O ZINC000095523200 185377792 /nfs/dbraw/zinc/37/77/92/185377792.db2.gz GUCSMOSPUSPICC-UHFFFAOYSA-N 0 0 311.389 2.485 50 0 DEAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccco1 ZINC000096603319 185384563 /nfs/dbraw/zinc/38/45/63/185384563.db2.gz CHLBODJDWXVJCZ-HJWRWDBZSA-N 0 0 309.325 2.188 50 0 DEAARN CCn1ncnc1[C@H](C)NC(=O)c1c(C)nc2ccc(C)cn21 ZINC000426399179 230793152 /nfs/dbraw/zinc/79/31/52/230793152.db2.gz HUDGHRQWTYZPOV-LBPRGKRZSA-N 0 0 312.377 2.054 50 0 DEAARN O=C(NC1CCOCC1)c1cc(-n2cccn2)ccc1Cl ZINC000426393086 230793293 /nfs/dbraw/zinc/79/32/93/230793293.db2.gz UVQSPCKDJCHKTK-UHFFFAOYSA-N 0 0 305.765 2.435 50 0 DEAARN Cc1cc(C[C@@H](C)NC(=O)N(C)CCc2scnc2C)[nH]n1 ZINC000426396391 230793645 /nfs/dbraw/zinc/79/36/45/230793645.db2.gz IKMPVJQJBPKEKZ-SNVBAGLBSA-N 0 0 321.450 2.298 50 0 DEAARN O=C(c1onc2c1CCCC2)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000426422794 230796104 /nfs/dbraw/zinc/79/61/04/230796104.db2.gz FYLMUMBUTDDXMU-NSHDSACASA-N 0 0 300.362 2.296 50 0 DEAARN O=C(CNC(=O)c1ccccc1)N[C@H]1COC2(C1)CCCCC2 ZINC000426465365 230799209 /nfs/dbraw/zinc/79/92/09/230799209.db2.gz ZJPZQOULMSVGOD-OAHLLOKOSA-N 0 0 316.401 2.024 50 0 DEAARN O=C(NCC[C@H](O)c1ccco1)c1cc(-c2ccco2)on1 ZINC000077110951 185109301 /nfs/dbraw/zinc/10/93/01/185109301.db2.gz ZGJNZMMPGAGMMX-NSHDSACASA-N 0 0 302.286 2.381 50 0 DEAARN O=C(NCC[C@@H](O)c1ccco1)c1cc(-c2ccco2)on1 ZINC000077110953 185109495 /nfs/dbraw/zinc/10/94/95/185109495.db2.gz ZGJNZMMPGAGMMX-LLVKDONJSA-N 0 0 302.286 2.381 50 0 DEAARN CSCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000078901723 185126111 /nfs/dbraw/zinc/12/61/11/185126111.db2.gz IZOUUNAZRFPUOP-MRVPVSSYSA-N 0 0 307.341 2.498 50 0 DEAARN O=C(NCC[S@](=O)Cc1ccccc1)c1cccc(Cl)n1 ZINC000078913115 185127554 /nfs/dbraw/zinc/12/75/54/185127554.db2.gz YTLJWMJFQMBGRT-OAQYLSRUSA-N 0 0 322.817 2.414 50 0 DEAARN O=C(/C=C\c1ccncc1)N1CCN(Cc2ccccc2)CC1 ZINC000096794772 185388396 /nfs/dbraw/zinc/38/83/96/185388396.db2.gz YCRXMJCHABWSQS-SREVYHEPSA-N 0 0 307.397 2.439 50 0 DEAARN O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@@]1(O)CCSC1 ZINC000078987132 185141277 /nfs/dbraw/zinc/14/12/77/185141277.db2.gz TUOSCACUNKHQDM-HNNXBMFYSA-N 0 0 324.833 2.348 50 0 DEAARN CNC(=O)CCN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000078988457 185141850 /nfs/dbraw/zinc/14/18/50/185141850.db2.gz ARHKJJLGLQIOSR-ZDUSSCGKSA-N 0 0 316.323 2.215 50 0 DEAARN Cc1nnc([C@H](C)OC(=O)[C@H]2CC(=O)Nc3ccccc32)o1 ZINC000078989138 185141886 /nfs/dbraw/zinc/14/18/86/185141886.db2.gz PTGKNBCRYCDPFY-KWQFWETISA-N 0 0 301.302 2.108 50 0 DEAARN O=S(=O)(C[C@H]1CCCCO1)c1nccn1-c1ccccc1 ZINC000079013847 185146526 /nfs/dbraw/zinc/14/65/26/185146526.db2.gz MGSXJVNPVXWACP-CQSZACIVSA-N 0 0 306.387 2.215 50 0 DEAARN CC(C)(C)S(=O)(=O)CCNC(=O)Cc1c[nH]c2ccccc12 ZINC000079052072 185149549 /nfs/dbraw/zinc/14/95/49/185149549.db2.gz GLZBMQPBZDXQQR-UHFFFAOYSA-N 0 0 322.430 2.040 50 0 DEAARN NC(=O)C1CCC(CNC(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000079036294 185147862 /nfs/dbraw/zinc/14/78/62/185147862.db2.gz BDKFESDQPAPQCV-ZMYVRHLSSA-N 0 0 307.438 2.110 50 0 DEAARN CNC(=O)c1cccc(CNC(=O)CO[C@H]2CCCC[C@@H]2C)c1 ZINC000079038920 185147966 /nfs/dbraw/zinc/14/79/66/185147966.db2.gz RQSGDUKCOWOPPY-BBRMVZONSA-N 0 0 318.417 2.258 50 0 DEAARN COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1cscn1)C2 ZINC000079321217 185165206 /nfs/dbraw/zinc/16/52/06/185165206.db2.gz ZYKYJYXMOWSUIF-LBPRGKRZSA-N 0 0 318.398 2.361 50 0 DEAARN CC1(C)CN(C(=O)CCC(=O)c2cccs2)CC[S@@]1=O ZINC000088207034 185241977 /nfs/dbraw/zinc/24/19/77/185241977.db2.gz LKGHOXBHAMHBCQ-HXUWFJFHSA-N 0 0 313.444 2.081 50 0 DEAARN C[C@@](CO)(NC(=O)NCCc1nccs1)C1CCCCC1 ZINC000088545157 185257024 /nfs/dbraw/zinc/25/70/24/185257024.db2.gz KCHOCZXSNJFMTL-HNNXBMFYSA-N 0 0 311.451 2.316 50 0 DEAARN CC(C)[C@H](CNC(=O)/C=C\c1ccccc1)N1CCOCC1 ZINC000096947599 185393442 /nfs/dbraw/zinc/39/34/42/185393442.db2.gz FVBKQQDMYRJWMT-JJEJIETFSA-N 0 0 302.418 2.173 50 0 DEAARN CCN1CCN(S(=O)(=O)c2c(C)noc2C)c2ccccc21 ZINC000089977364 185273107 /nfs/dbraw/zinc/27/31/07/185273107.db2.gz USFRBKXDWYJHFP-UHFFFAOYSA-N 0 0 321.402 2.327 50 0 DEAARN CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1 ZINC000089947944 185270782 /nfs/dbraw/zinc/27/07/82/185270782.db2.gz UMPIRJMXXVGCNL-PWSUYJOCSA-N 0 0 307.419 2.262 50 0 DEAARN Cc1cc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)[nH]n1 ZINC000082086987 192354153 /nfs/dbraw/zinc/35/41/53/192354153.db2.gz HOIKRJZTOGURQG-UHFFFAOYSA-N 0 0 313.405 2.344 50 0 DEAARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)CC(=O)N2 ZINC000004944187 295689819 /nfs/dbraw/zinc/68/98/19/295689819.db2.gz NPWNETJDWZMQPQ-SNVBAGLBSA-N 0 0 301.371 2.274 50 0 DEAARN Cc1ccc(CCC(=O)N2CCN(c3ncccc3F)CC2)o1 ZINC000090457092 185297835 /nfs/dbraw/zinc/29/78/35/185297835.db2.gz IUHVNTXFZINTOV-UHFFFAOYSA-N 0 0 317.364 2.404 50 0 DEAARN O=C([C@@H]1CC=CCC1)N1CCCSC[C@H]1CN1CCOCC1 ZINC000090609160 185306294 /nfs/dbraw/zinc/30/62/94/185306294.db2.gz IFMKHKSHBZIVMC-HZPDHXFCSA-N 0 0 324.490 2.009 50 0 DEAARN CC(C)(C)OC(=O)NCCNC(=S)NC1CCCCC1 ZINC000003078787 190617203 /nfs/dbraw/zinc/61/72/03/190617203.db2.gz FIUUEJJFNTWQJM-UHFFFAOYSA-N 0 0 301.456 2.308 50 0 DEAARN Cn1ccnc1[C@H]1CCCN(Cc2nc(C(F)(F)F)no2)C1 ZINC000082114387 192358248 /nfs/dbraw/zinc/35/82/48/192358248.db2.gz UAVUQQPWDBAHSF-VIFPVBQESA-N 0 0 315.299 2.202 50 0 DEAARN CC(C)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)no1 ZINC000082121876 192358816 /nfs/dbraw/zinc/35/88/16/192358816.db2.gz WKYCPRPCPPHMRN-UHFFFAOYSA-N 0 0 302.330 2.499 50 0 DEAARN OC[C@H](Nc1ncnc2nc[nH]c21)c1ccc(Cl)c(F)c1 ZINC000092701910 185333933 /nfs/dbraw/zinc/33/39/33/185333933.db2.gz PWMDLXBGCXTOIG-JTQLQIEISA-N 0 0 307.716 2.291 50 0 DEAARN NC(=O)[C@@H]1CN(Cc2ccc(-c3cccc(F)c3)s2)CCO1 ZINC000092735878 185337284 /nfs/dbraw/zinc/33/72/84/185337284.db2.gz BEZWYCMMWIHNKO-AWEZNQCLSA-N 0 0 320.389 2.240 50 0 DEAARN Cc1cn(CCNC(=O)c2csc(-c3cccs3)n2)nn1 ZINC000082148296 192361459 /nfs/dbraw/zinc/36/14/59/192361459.db2.gz QCPNAUFBBXRSMI-UHFFFAOYSA-N 0 0 319.415 2.202 50 0 DEAARN CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2COc3ccccc32)c1 ZINC000095396613 185352960 /nfs/dbraw/zinc/35/29/60/185352960.db2.gz WXUPQBIBYFSSCA-CQSZACIVSA-N 0 0 310.353 2.469 50 0 DEAARN Cc1ccccc1[C@H]1CCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000095399723 185353916 /nfs/dbraw/zinc/35/39/16/185353916.db2.gz RJBFZUYQCHSCKN-HNNXBMFYSA-N 0 0 323.396 2.136 50 0 DEAARN NS(=O)(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000095402905 185354822 /nfs/dbraw/zinc/35/48/22/185354822.db2.gz BLQUIEDRABYOLS-UHFFFAOYSA-N 0 0 314.313 2.050 50 0 DEAARN O=C(NCC1(CO)CC1)N[C@H]1CCC[C@H]1Oc1ccccc1 ZINC000095406325 185355869 /nfs/dbraw/zinc/35/58/69/185355869.db2.gz JQEYOEOISIXZIQ-LSDHHAIUSA-N 0 0 304.390 2.058 50 0 DEAARN C[C@H]1CCN(c2ccc(NC(=O)NCC3(CO)CC3)cc2)C1 ZINC000095405978 185356006 /nfs/dbraw/zinc/35/60/06/185356006.db2.gz BOPRDDVRVXYSPI-ZDUSSCGKSA-N 0 0 303.406 2.427 50 0 DEAARN COC[C@@H]1CCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000095407484 185356200 /nfs/dbraw/zinc/35/62/00/185356200.db2.gz DCDJWBWGPPDVSZ-LBPRGKRZSA-N 0 0 306.387 2.034 50 0 DEAARN CC[C@H](CCNC(=O)c1cc(F)ccc1O)N1CCCC1=O ZINC000095409024 185356795 /nfs/dbraw/zinc/35/67/95/185356795.db2.gz NMONMXXQKADEFX-GFCCVEGCSA-N 0 0 308.353 2.052 50 0 DEAARN COc1cccc(CCCNC(=O)NC2(CO)CCCC2)c1 ZINC000095416151 185358942 /nfs/dbraw/zinc/35/89/42/185358942.db2.gz UMIAVBQTSXQEDK-UHFFFAOYSA-N 0 0 306.406 2.232 50 0 DEAARN Cc1cc(C)c(C(=O)N2CCO[C@H](c3cccs3)C2)c(=O)[nH]1 ZINC000095415919 185359001 /nfs/dbraw/zinc/35/90/01/185359001.db2.gz DYSMBGVTRGOHQW-LBPRGKRZSA-N 0 0 318.398 2.267 50 0 DEAARN CC[C@@H]1C(=O)NCCN1C(=O)Nc1ncc(CC(C)C)s1 ZINC000095416205 185359160 /nfs/dbraw/zinc/35/91/60/185359160.db2.gz IEDFAGLSGMCDND-LLVKDONJSA-N 0 0 310.423 2.084 50 0 DEAARN CCC(=O)N1CC[C@H](NC(=O)NCCCc2ccccc2C)C1 ZINC000095417112 185359272 /nfs/dbraw/zinc/35/92/72/185359272.db2.gz ULAHUJFUHSWCPP-INIZCTEOSA-N 0 0 317.433 2.238 50 0 DEAARN CC(C)(C)c1ncc(NC(=O)N2CC[S@](=O)C(C)(C)C2)cn1 ZINC000095418117 185359575 /nfs/dbraw/zinc/35/95/75/185359575.db2.gz LEGJQUIEXFGLCJ-JOCHJYFZSA-N 0 0 324.450 2.149 50 0 DEAARN CC(C)(C)c1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)[nH]n1 ZINC000095425957 185361591 /nfs/dbraw/zinc/36/15/91/185361591.db2.gz LIWVTARQALZARY-VXGBXAGGSA-N 0 0 309.435 2.054 50 0 DEAARN CS[C@@H](CO)[C@H](C)NC(=O)Cc1ccccc1C(F)(F)F ZINC000095427445 185362010 /nfs/dbraw/zinc/36/20/10/185362010.db2.gz IVRGZPUNOOCPTH-CABZTGNLSA-N 0 0 321.364 2.477 50 0 DEAARN O=C(CN1CCCCC1=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000095427650 185362145 /nfs/dbraw/zinc/36/21/45/185362145.db2.gz HYOJYSRFKDMEEB-UHFFFAOYSA-N 0 0 316.401 2.143 50 0 DEAARN NC(=O)CCN(Cc1ccccc1)c1nccc(C(F)(F)F)n1 ZINC000095428517 185362418 /nfs/dbraw/zinc/36/24/18/185362418.db2.gz IWMSGTRREWQEQD-UHFFFAOYSA-N 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305.359 2.268 50 0 DEAARN O=C(NCC[C@H]1CCCO1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000075119211 355069530 /nfs/dbraw/zinc/06/95/30/355069530.db2.gz WFEQSRFEWPMTPQ-CQSZACIVSA-N 0 0 312.369 2.341 50 0 DEAARN Nc1c(C(=O)NC(=O)c2ccccc2)cnn1-c1ccccc1 ZINC000075260232 355076987 /nfs/dbraw/zinc/07/69/87/355076987.db2.gz PNWFPTUAWDDAHH-UHFFFAOYSA-N 0 0 306.325 2.025 50 0 DEAARN COCc1nc(C)cc(NCc2cccc(Cn3cncn3)c2)n1 ZINC000075046810 355064990 /nfs/dbraw/zinc/06/49/90/355064990.db2.gz UUSSDBSQUCILQM-UHFFFAOYSA-N 0 0 324.388 2.183 50 0 DEAARN O=C(CN1CCCCCCC1=O)Nc1ccnc2ccncc21 ZINC000075105561 355068892 /nfs/dbraw/zinc/06/88/92/355068892.db2.gz CKDAFPGDHLJFAX-UHFFFAOYSA-N 0 0 312.373 2.361 50 0 DEAARN CC[C@@H](C)S(=O)(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000075106891 355068952 /nfs/dbraw/zinc/06/89/52/355068952.db2.gz KVLDGZRMOBLJQX-CYBMUJFWSA-N 0 0 307.419 2.133 50 0 DEAARN CNC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CC12CCCC2 ZINC000075876771 355111583 /nfs/dbraw/zinc/11/15/83/355111583.db2.gz ISWXRLNGRGUSSP-AWEZNQCLSA-N 0 0 301.390 2.457 50 0 biogenic DEAARN Cc1noc([C@H]2CN(C(=O)NC(C)(C)C)CC23CCOCC3)n1 ZINC000075877088 355111591 /nfs/dbraw/zinc/11/15/91/355111591.db2.gz FHHYRTCPBIDPIJ-GFCCVEGCSA-N 0 0 322.409 2.082 50 0 biogenic DEAARN Cc1ccccc1C1(O)CCN(CC(=O)NCC(C)C)CC1 ZINC000075923599 355114699 /nfs/dbraw/zinc/11/46/99/355114699.db2.gz OBDYVDQFTBDNIS-UHFFFAOYSA-N 0 0 304.434 2.051 50 0 DEAARN CCc1cc(CNC(=O)Nc2ccc(F)c(C(=O)NC)c2)on1 ZINC000076021410 355119277 /nfs/dbraw/zinc/11/92/77/355119277.db2.gz SFZVZCYYMRWNDF-UHFFFAOYSA-N 0 0 320.324 2.057 50 0 DEAARN Cc1cc(F)ccc1NC(=O)C(=O)NCCc1cccc(O)c1 ZINC000076018328 355119791 /nfs/dbraw/zinc/11/97/91/355119791.db2.gz QGNHPBGGPGEMPR-UHFFFAOYSA-N 0 0 316.332 2.137 50 0 DEAARN Cc1cc([C@H](C)NC(=O)NCc2ncnn2C)cc(C)c1F ZINC000076088701 355125677 /nfs/dbraw/zinc/12/56/77/355125677.db2.gz WYHFZMOLGLDYCD-NSHDSACASA-N 0 0 305.357 2.131 50 0 DEAARN CCc1nc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)no1 ZINC000076044126 355121726 /nfs/dbraw/zinc/12/17/26/355121726.db2.gz OIOKTAOHISAPSB-JSGCOSHPSA-N 0 0 313.357 2.299 50 0 DEAARN Cc1nc([C@@H]2CCCN(c3nccc(N4CCCC4)n3)C2)no1 ZINC000076050257 355121800 /nfs/dbraw/zinc/12/18/00/355121800.db2.gz UUGZHMFWOAMTAO-CYBMUJFWSA-N 0 0 314.393 2.152 50 0 DEAARN CCO[C@H]1C[C@H](NC(=O)CCn2ccccc2=O)C12CCCC2 ZINC000076068067 355123569 /nfs/dbraw/zinc/12/35/69/355123569.db2.gz MXWMGCHAPWXHJV-GJZGRUSLSA-N 0 0 318.417 2.092 50 0 DEAARN CC(C)c1nccn1S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000004937419 181175647 /nfs/dbraw/zinc/17/56/47/181175647.db2.gz HUIDEISTNZNDRA-UHFFFAOYSA-N 0 0 318.354 2.350 50 0 DEAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCCC(C)C ZINC000004942060 181176256 /nfs/dbraw/zinc/17/62/56/181176256.db2.gz PMYLGRQQJFNVMR-UHFFFAOYSA-N 0 0 321.446 2.333 50 0 DEAARN CCc1cc(S(=O)(=O)NCc2cccnc2)ccc1OC ZINC000004934526 181175058 /nfs/dbraw/zinc/17/50/58/181175058.db2.gz VONGLEMMWMCBNB-UHFFFAOYSA-N 0 0 306.387 2.131 50 0 DEAARN COc1cccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)c1 ZINC000004945072 181177507 /nfs/dbraw/zinc/17/75/07/181177507.db2.gz ZEUFZVBYLBAONM-AWEZNQCLSA-N 0 0 312.325 2.424 50 0 DEAARN CCS[C@H]1CC[C@]1(O)CNC(=O)c1ccc(F)c(F)c1 ZINC000079001116 355289881 /nfs/dbraw/zinc/28/98/81/355289881.db2.gz TWDLXLZEFQLZNW-JSGCOSHPSA-N 0 0 301.358 2.341 50 0 DEAARN CCS[C@@H]1CC[C@]1(O)CNC(=O)c1c(F)cc(F)cc1F ZINC000079001160 355289988 /nfs/dbraw/zinc/28/99/88/355289988.db2.gz WDFDQTCFNIMMPT-RISCZKNCSA-N 0 0 319.348 2.480 50 0 DEAARN CCc1[nH]n(C)c2nnc(NC(=O)c3ncoc3C(C)C)c1-2 ZINC000079015422 355291230 /nfs/dbraw/zinc/29/12/30/355291230.db2.gz AFFVWTOTMGHQQX-UHFFFAOYSA-N 0 0 302.338 2.223 50 0 DEAARN O=C(c1c[nH]c(=O)cn1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000079053929 355293422 /nfs/dbraw/zinc/29/34/22/355293422.db2.gz QRWNGTSWSQCXFO-UHFFFAOYSA-N 0 0 324.167 2.275 50 0 DEAARN C[C@H]1CN(CC(=O)NC2CCOCC2)c2ccccc2S1 ZINC000079074778 355295444 /nfs/dbraw/zinc/29/54/44/355295444.db2.gz ICSHVIMRTMMMHK-LBPRGKRZSA-N 0 0 306.431 2.282 50 0 DEAARN Cn1cc(-c2nc(C(=O)OC[C@@H]3CCCOC3)cs2)cn1 ZINC000079105316 355296690 /nfs/dbraw/zinc/29/66/90/355296690.db2.gz GGOSVVVLUPGXRI-SNVBAGLBSA-N 0 0 307.375 2.127 50 0 DEAARN COc1cccc(CN(C)C(=O)CNC(=O)CC2CCCC2)c1 ZINC000075126544 191424343 /nfs/dbraw/zinc/42/43/43/191424343.db2.gz GJTOQBHVFDSJDY-UHFFFAOYSA-N 0 0 318.417 2.350 50 0 DEAARN COc1cc(NC(=O)N[C@H]2CCC[C@@H](O)C2)cc(OC)c1OC ZINC000075156816 191433282 /nfs/dbraw/zinc/43/32/82/191433282.db2.gz DMXDITIEDIBRLO-CMPLNLGQSA-N 0 0 324.377 2.137 50 0 DEAARN CC[C@H](C)c1csc(NC(=O)N[C@@H](C)Cn2cncn2)n1 ZINC000078938356 355286814 /nfs/dbraw/zinc/28/68/14/355286814.db2.gz JNHZTPJIPAWIQM-UWVGGRQHSA-N 0 0 308.411 2.458 50 0 DEAARN Cc1nc(C)c(CN2C(=O)N[C@@](C)(c3cccnc3)C2=O)s1 ZINC000085268049 192486275 /nfs/dbraw/zinc/48/62/75/192486275.db2.gz DYAIMWVWBWAKPW-HNNXBMFYSA-N 0 0 316.386 2.122 50 0 DEAARN CC(C)(C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000004996125 181187232 /nfs/dbraw/zinc/18/72/32/181187232.db2.gz AWYQMTAOUKFSBI-UHFFFAOYSA-N 0 0 318.826 2.021 50 0 DEAARN COC[C@@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O ZINC000004998797 181188118 /nfs/dbraw/zinc/18/81/18/181188118.db2.gz URNKKKQTRGLOKM-NEPJUHHUSA-N 0 0 324.808 2.470 50 0 DEAARN CNC(=O)c1cccc(CCNC(=O)NCc2cccs2)c1 ZINC000076020006 191554768 /nfs/dbraw/zinc/55/47/68/191554768.db2.gz LPILTWDMNHRKTD-UHFFFAOYSA-N 0 0 317.414 2.150 50 0 DEAARN CN1CCN(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000005060326 181198524 /nfs/dbraw/zinc/19/85/24/181198524.db2.gz IQURULIGDMTSIT-UHFFFAOYSA-N 0 0 303.193 2.277 50 0 DEAARN O=C(COC(=O)c1ccccn1)N[C@@H]1CCCc2ccccc21 ZINC000005059969 181198712 /nfs/dbraw/zinc/19/87/12/181198712.db2.gz JTHBNFIMKMNGNY-OAHLLOKOSA-N 0 0 310.353 2.432 50 0 DEAARN CSCC[C@H](O)C(=O)N1CCCN(c2ccccc2C)CC1 ZINC000077286777 191686682 /nfs/dbraw/zinc/68/66/82/191686682.db2.gz NWUWBOCIGZAYGW-INIZCTEOSA-N 0 0 322.474 2.148 50 0 DEAARN CCOc1ccc(N(C(=O)C2CC2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000005070945 181201185 /nfs/dbraw/zinc/20/11/85/181201185.db2.gz IATXELVFQKRIKS-AWEZNQCLSA-N 0 0 321.398 2.139 50 0 DEAARN Cc1nc([C@@H]2CN(CCOc3ccccc3C)CCO2)no1 ZINC000095958154 355696899 /nfs/dbraw/zinc/69/68/99/355696899.db2.gz PUPGGSMQOTWXDD-HNNXBMFYSA-N 0 0 303.362 2.139 50 0 DEAARN Cc1nccc(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)n1 ZINC000097199102 355702254 /nfs/dbraw/zinc/70/22/54/355702254.db2.gz ZRDJAZBIXQAEKT-LBPRGKRZSA-N 0 0 313.405 2.024 50 0 DEAARN Cc1nc(-c2ccccn2)n(Cc2nc(-c3ccco3)no2)n1 ZINC000097227948 355703201 /nfs/dbraw/zinc/70/32/01/355703201.db2.gz DESQKKJEVSEGGT-UHFFFAOYSA-N 0 0 308.301 2.340 50 0 DEAARN Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCOC3)CC2)nc1 ZINC000097371389 355704243 /nfs/dbraw/zinc/70/42/43/355704243.db2.gz QKVCGMRTPACBSW-CQSZACIVSA-N 0 0 304.390 2.186 50 0 DEAARN CS[C@@H](CNC(=O)c1cnn(C)c1N)c1cccc(Cl)c1 ZINC000097375971 355704732 /nfs/dbraw/zinc/70/47/32/355704732.db2.gz DDOMKHUMMSMABS-LBPRGKRZSA-N 0 0 324.837 2.490 50 0 DEAARN CCc1oc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1C ZINC000120706981 355791877 /nfs/dbraw/zinc/79/18/77/355791877.db2.gz BNMKMPDUAKSVBC-OAHLLOKOSA-N 0 0 320.433 2.335 50 0 DEAARN CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000005155013 181210814 /nfs/dbraw/zinc/21/08/14/181210814.db2.gz WOLSQKWXNVFWEB-UHFFFAOYSA-N 0 0 307.350 2.202 50 0 DEAARN O=C(Cc1cnc2ccccc2c1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000131360513 355846531 /nfs/dbraw/zinc/84/65/31/355846531.db2.gz HQLDYVUYDMBWFQ-KRWDZBQOSA-N 0 0 323.396 2.047 50 0 DEAARN C[C@H]1CCCN(C(=O)COc2ccc(-c3nnco3)cc2)C1 ZINC000005209347 181216971 /nfs/dbraw/zinc/21/69/71/181216971.db2.gz XRQHNYRECNKOTJ-LBPRGKRZSA-N 0 0 301.346 2.374 50 0 DEAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC ZINC000005213646 181217646 /nfs/dbraw/zinc/21/76/46/181217646.db2.gz SLKGWGQADMYQAM-LLVKDONJSA-N 0 0 319.430 2.423 50 0 DEAARN Cc1cc(C)c2ncc(C(=O)NC[C@H](C)[S@](C)=O)c(O)c2c1 ZINC000165323868 355975848 /nfs/dbraw/zinc/97/58/48/355975848.db2.gz VBZDFSZCIWDOSA-KPWVOAKYSA-N 0 0 320.414 2.054 50 0 DEAARN COCc1nc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)no1 ZINC000169749938 355980111 /nfs/dbraw/zinc/98/01/11/355980111.db2.gz VRIBNZBCSAVVRT-LBPRGKRZSA-N 0 0 319.336 2.375 50 0 DEAARN COCCC(=O)N1CCCN(C(=O)C2CC2)c2ccccc21 ZINC000169776484 355982705 /nfs/dbraw/zinc/98/27/05/355982705.db2.gz REYJSSOOLPZWRW-UHFFFAOYSA-N 0 0 302.374 2.203 50 0 DEAARN O=C([C@@H]1COc2ccccc2O1)N1CCOCC2(CCCC2)C1 ZINC000170599038 355987869 /nfs/dbraw/zinc/98/78/69/355987869.db2.gz CMPCEYIBLPJFAN-INIZCTEOSA-N 0 0 317.385 2.246 50 0 DEAARN CCN(CCNc1c(C)c(C)nc2ncnn21)CC(F)(F)F ZINC000170618755 355989947 /nfs/dbraw/zinc/98/99/47/355989947.db2.gz UCSAPJSDSUOZAW-UHFFFAOYSA-N 0 0 316.331 2.037 50 0 DEAARN C[C@H](OC(=O)c1ccccc1CN1CCOCC1)[C@@H]1CCOC1 ZINC000170617299 355990277 /nfs/dbraw/zinc/99/02/77/355990277.db2.gz CASSFHRVJIOIBC-GOEBONIOSA-N 0 0 319.401 2.101 50 0 DEAARN Fc1nc(F)c(F)c(Sc2nc3ncccn3n2)c1F ZINC000170660279 355991033 /nfs/dbraw/zinc/99/10/33/355991033.db2.gz KATGWZSMHKDSTB-UHFFFAOYSA-N 0 0 301.228 2.227 50 0 DEAARN CC(C)[C@H](C)NC(=O)Cn1ccnc1[C@H](O)c1ccccc1 ZINC000154862012 355945072 /nfs/dbraw/zinc/94/50/72/355945072.db2.gz AUHHYEUNKCVVJP-XJKSGUPXSA-N 0 0 301.390 2.126 50 0 DEAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC1CCCCC1 ZINC000005253890 181222295 /nfs/dbraw/zinc/22/22/95/181222295.db2.gz DVGVFPVMLKEKPG-UHFFFAOYSA-N 0 0 319.792 2.499 50 0 DEAARN CCCCn1nccc1NC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000158343205 355958651 /nfs/dbraw/zinc/95/86/51/355958651.db2.gz OTYVWQAVNAFCPL-HOCLYGCPSA-N 0 0 314.389 2.463 50 0 DEAARN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000158215669 355958706 /nfs/dbraw/zinc/95/87/06/355958706.db2.gz WKMWBMNGAUYPKW-IUODEOHRSA-N 0 0 317.368 2.352 50 0 DEAARN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1nc[nH]n1 ZINC000079487265 191942513 /nfs/dbraw/zinc/94/25/13/191942513.db2.gz CBNDWQOOHMTFLR-UHFFFAOYSA-N 0 0 318.724 2.079 50 0 DEAARN C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000162979209 355972318 /nfs/dbraw/zinc/97/23/18/355972318.db2.gz OGZCWHZKZKPVLV-CWKPULSASA-N 0 0 312.439 2.005 50 0 DEAARN Cc1cc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)no1 ZINC000005398686 181239181 /nfs/dbraw/zinc/23/91/81/181239181.db2.gz ZQEJTJMITSCUAT-UHFFFAOYSA-N 0 0 313.313 2.189 50 0 DEAARN Cc1cc(NC(=O)Cn2nc(-c3ccccc3C)ccc2=O)no1 ZINC000005409762 181240048 /nfs/dbraw/zinc/24/00/48/181240048.db2.gz GFEDZHAHPVLMMO-UHFFFAOYSA-N 0 0 324.340 2.154 50 0 DEAARN Cn1c(=O)c(C(=O)Nc2cc(F)ccc2F)cc2cccnc21 ZINC000005303667 181228409 /nfs/dbraw/zinc/22/84/09/181228409.db2.gz PUWPIIYNRSUPPI-UHFFFAOYSA-N 0 0 315.279 2.464 50 0 DEAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccco1 ZINC000005314798 181228687 /nfs/dbraw/zinc/22/86/87/181228687.db2.gz OXDGHTWTPPYYRN-UHFFFAOYSA-N 0 0 306.343 2.072 50 0 DEAARN NC(=O)c1ccccc1Oc1nc2ccccc2n2cnnc12 ZINC000005421440 181241625 /nfs/dbraw/zinc/24/16/25/181241625.db2.gz UNGDOIJLILFJNH-UHFFFAOYSA-N 0 0 305.297 2.169 50 0 DEAARN CC(C)(F)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000182000913 356103944 /nfs/dbraw/zinc/10/39/44/356103944.db2.gz PPIZIJDADVVEJU-AWEZNQCLSA-N 0 0 306.381 2.084 50 0 DEAARN C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1ccc(Cl)s1 ZINC000188624273 356214707 /nfs/dbraw/zinc/21/47/07/356214707.db2.gz YXCVAFYDOISQDH-KXUCPTDWSA-N 0 0 318.826 2.254 50 0 DEAARN CO[C@H]1CC[C@H](NC(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000189698585 356215948 /nfs/dbraw/zinc/21/59/48/356215948.db2.gz AOILPNUPNPGYTD-WFASDCNBSA-N 0 0 315.377 2.015 50 0 DEAARN CC(C)(O)[C@H]1CCCN1C(=O)Cc1cc(F)c(F)cc1F ZINC000195547568 356256153 /nfs/dbraw/zinc/25/61/53/356256153.db2.gz FYKUHSPPGXWDDA-CYBMUJFWSA-N 0 0 301.308 2.408 50 0 DEAARN CCN(C(=O)CCNC(=O)[C@@H]1CCCO1)c1cc(C)ccc1C ZINC000195576827 356258752 /nfs/dbraw/zinc/25/87/52/356258752.db2.gz ULTZRQDYBAHYOX-INIZCTEOSA-N 0 0 318.417 2.342 50 0 DEAARN Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)c(F)c1 ZINC000225543574 356276274 /nfs/dbraw/zinc/27/62/74/356276274.db2.gz XHJBNBXPAZRFOX-MGPLVRAMSA-N 0 0 323.343 2.086 50 0 DEAARN O=S(=O)(c1cccc(Cl)c1)N1CC(Oc2cccnc2)C1 ZINC000238835915 356305660 /nfs/dbraw/zinc/30/56/60/356305660.db2.gz GROZMBMWMUQNHV-UHFFFAOYSA-N 0 0 324.789 2.187 50 0 DEAARN O=C([O-])CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072124113 304053436 /nfs/dbraw/zinc/05/34/36/304053436.db2.gz HWAJUADKHJQZBH-KBAYOESNSA-N 0 0 300.402 2.023 50 0 DEAARN Nc1nc(CSc2nncs2)nc(Nc2ccccc2)n1 ZINC000005702394 181274981 /nfs/dbraw/zinc/27/49/81/181274981.db2.gz SFZGPSNCYUUGKF-UHFFFAOYSA-N 0 0 317.403 2.341 50 0 DEAARN CSC[C@H](C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000081421190 192261587 /nfs/dbraw/zinc/26/15/87/192261587.db2.gz TUPNJMXONPFQLT-ZDUSSCGKSA-N 0 0 322.474 2.471 50 0 DEAARN O=C(CCc1ccc(F)c(Cl)c1)N1CC[C@@H](n2ccnn2)C1 ZINC000575605791 540250355 /nfs/dbraw/zinc/25/03/55/540250355.db2.gz MYGOFXVYZWCESX-GFCCVEGCSA-N 0 0 322.771 2.477 50 0 DEAARN O=c1ccc(C2N=NC(=S)N2c2ccccc2Cl)n[nH]1 ZINC000005813878 181286323 /nfs/dbraw/zinc/28/63/23/181286323.db2.gz HEHXTDQXLGGPSX-UHFFFAOYSA-N 0 0 305.750 2.372 50 0 DEAARN O=C(Cc1ccc(Cl)cc1)Nc1cnc(-n2cccn2)nc1 ZINC000085470369 192511303 /nfs/dbraw/zinc/51/13/03/192511303.db2.gz JPVAMWVRLLEUIJ-UHFFFAOYSA-N 0 0 313.748 2.497 50 0 DEAARN COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC ZINC000085877347 192538758 /nfs/dbraw/zinc/53/87/58/192538758.db2.gz SPEQKETVBYHXBU-LLVKDONJSA-N 0 0 315.325 2.142 50 0 biogenic DEAARN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1nnc2n1CCC2 ZINC000086428417 192571060 /nfs/dbraw/zinc/57/10/60/192571060.db2.gz BNKNPVINRJRWRV-OLZOCXBDSA-N 0 0 319.453 2.281 50 0 DEAARN Cc1cc(C)nc(O[C@@H]2CCN(C(=O)CC(F)(F)F)C2)n1 ZINC000390829472 356710493 /nfs/dbraw/zinc/71/04/93/356710493.db2.gz ZIDQBUQQJYOHDG-SNVBAGLBSA-N 0 0 303.284 2.026 50 0 DEAARN Cc1ccc2[nH]c(CNC(=O)N3CCC[C@@H](CO)C3)nc2c1C ZINC000584890950 357327355 /nfs/dbraw/zinc/32/73/55/357327355.db2.gz AXZXOXHRIILWDP-CYBMUJFWSA-N 0 0 316.405 2.094 50 0 DEAARN COC(=O)c1cc(O)cc(C(=O)N2CCO[C@@H](CC(C)C)C2)c1 ZINC000584894032 357328147 /nfs/dbraw/zinc/32/81/47/357328147.db2.gz BLDFTLYJUCCDHV-HNNXBMFYSA-N 0 0 321.373 2.066 50 0 DEAARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000584895721 357328996 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318.402 2.409 50 0 DEAARN CCNC(=O)c1nc(C(=O)NC[C@@H](C)c2ccccc2)cs1 ZINC000065199603 184314365 /nfs/dbraw/zinc/31/43/65/184314365.db2.gz HIAAEQGKIKVFAE-LLVKDONJSA-N 0 0 317.414 2.426 50 0 DEAARN Cc1ccc(NC(=O)Cc2nnc(-c3cnccn3)o2)c(C)c1 ZINC000065214746 184314776 /nfs/dbraw/zinc/31/47/76/184314776.db2.gz COTDHYHOTHLEQY-UHFFFAOYSA-N 0 0 309.329 2.325 50 0 DEAARN COc1ccc(Cl)cc1NC(=O)c1cn2c(n1)COCC2 ZINC000065231603 184316008 /nfs/dbraw/zinc/31/60/08/184316008.db2.gz IZLXTFQNVBNYDY-UHFFFAOYSA-N 0 0 307.737 2.328 50 0 DEAARN Cc1csc(N2CCN(CCOCC(F)(F)F)CC2)n1 ZINC000064626844 184301540 /nfs/dbraw/zinc/30/15/40/184301540.db2.gz NECHOQYDVHYGKG-UHFFFAOYSA-N 0 0 309.357 2.152 50 0 DEAARN CC(=O)Nc1ccc(OCC(=O)NCc2ccc(C)cc2)nc1 ZINC000065245638 184317752 /nfs/dbraw/zinc/31/77/52/184317752.db2.gz CLRDXCQFOGIJPG-UHFFFAOYSA-N 0 0 313.357 2.044 50 0 DEAARN O=C(Cc1cccc(F)c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000065248744 184318404 /nfs/dbraw/zinc/31/84/04/184318404.db2.gz KWWVNJNPFPICFD-IBGZPJMESA-N 0 0 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GVKFZCVOCVUISY-QGZVFWFLSA-N 0 0 319.368 2.461 50 0 DEAARN CNc1snc(C)c1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000065428559 184343346 /nfs/dbraw/zinc/34/33/46/184343346.db2.gz XEGFILFEVHNXHK-NSHDSACASA-N 0 0 303.387 2.227 50 0 DEAARN CCn1ncc(C(=O)NCc2nccn2Cc2ccccc2)c1C ZINC000065435422 184344642 /nfs/dbraw/zinc/34/46/42/184344642.db2.gz ZDOQRCCHAXQGIN-UHFFFAOYSA-N 0 0 323.400 2.386 50 0 DEAARN CCOc1cc2c(cc1CNC(=O)c1ccn[nH]1)O[C@@H](C)C2 ZINC000065447053 184345923 /nfs/dbraw/zinc/34/59/23/184345923.db2.gz MLSUJTKOBCDBHW-JTQLQIEISA-N 0 0 301.346 2.062 50 0 DEAARN O=C(Nc1cccc(OCCn2cccn2)c1)C1CCOCC1 ZINC000065488202 184353121 /nfs/dbraw/zinc/35/31/21/184353121.db2.gz GEPNFBCGCRVUGF-UHFFFAOYSA-N 0 0 315.373 2.327 50 0 DEAARN Cc1nccn1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000065490322 184353576 /nfs/dbraw/zinc/35/35/76/184353576.db2.gz KUQOZDWLFKYOBP-UHFFFAOYSA-N 0 0 314.370 2.041 50 0 DEAARN CCNc1ncc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cn1 ZINC000065397409 184335956 /nfs/dbraw/zinc/33/59/56/184335956.db2.gz MSIZHNHISKJOJR-UHFFFAOYSA-N 0 0 316.409 2.201 50 0 DEAARN CC(C)Cn1c(CN2CCC(=O)NC[C@@H]2C)nc2ccccc21 ZINC000065526810 184359897 /nfs/dbraw/zinc/35/98/97/184359897.db2.gz XMQHEBKVIRRNGG-AWEZNQCLSA-N 0 0 314.433 2.403 50 0 DEAARN Cc1cccn2c(CC(=O)NC[C@H](C)Oc3cccnc3)cnc12 ZINC000065527301 184360312 /nfs/dbraw/zinc/36/03/12/184360312.db2.gz SJIYVZMRNQEUIG-AWEZNQCLSA-N 0 0 324.384 2.164 50 0 DEAARN Cc1ccc(-c2cccc(C(=O)NCCc3cc(=O)[nH]cn3)c2)o1 ZINC000065531164 184361128 /nfs/dbraw/zinc/36/11/28/184361128.db2.gz IPBPALLEDGOBQY-UHFFFAOYSA-N 0 0 323.352 2.311 50 0 DEAARN CCc1ncc(C(=O)N2CCC(c3nc(C)no3)CC2)s1 ZINC000065533519 184361974 /nfs/dbraw/zinc/36/19/74/184361974.db2.gz FDBLJRNLLKFEMH-UHFFFAOYSA-N 0 0 306.391 2.417 50 0 DEAARN CNc1cc(C(=O)N(C)Cc2noc(C3CCCC3)n2)ccn1 ZINC000065531995 184362010 /nfs/dbraw/zinc/36/20/10/184362010.db2.gz ZKRRRGROGDNCCM-UHFFFAOYSA-N 0 0 315.377 2.436 50 0 DEAARN CC(C)(C)c1n[nH]cc1CNCc1nnc2n1CCCCC2 ZINC000065552533 184364678 /nfs/dbraw/zinc/36/46/78/184364678.db2.gz MMTZFUOQNWGRON-UHFFFAOYSA-N 0 0 302.426 2.315 50 0 DEAARN NS(=O)(=O)c1cccc(CNc2nc3ccccc3o2)c1 ZINC000065552050 184364912 /nfs/dbraw/zinc/36/49/12/184364912.db2.gz IQOBVEOXVNOBRB-UHFFFAOYSA-N 0 0 303.343 2.087 50 0 DEAARN O=C(Nc1ccccc1OCCn1ccnc1)[C@H]1CCCO1 ZINC000065564174 184366705 /nfs/dbraw/zinc/36/67/05/184366705.db2.gz PRADDDKWAOQDSB-OAHLLOKOSA-N 0 0 301.346 2.080 50 0 DEAARN CCn1cc(CC(=O)NC(C)(C)C(=O)OC)c2ccccc21 ZINC000065566046 184366995 /nfs/dbraw/zinc/36/69/95/184366995.db2.gz WMUQZURIZURTBX-UHFFFAOYSA-N 0 0 302.374 2.272 50 0 DEAARN CC(=O)Nc1cc(F)c(F)cc1NC(=O)COc1cccnc1 ZINC000065567131 184367314 /nfs/dbraw/zinc/36/73/14/184367314.db2.gz WSKQGQUJIQEMQA-UHFFFAOYSA-N 0 0 321.283 2.336 50 0 DEAARN Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(C)C(N)=O ZINC000065575092 184367869 /nfs/dbraw/zinc/36/78/69/184367869.db2.gz MJSVDKHEJPGBBP-UHFFFAOYSA-N 0 0 309.416 2.174 50 0 DEAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 ZINC000065594245 184370980 /nfs/dbraw/zinc/37/09/80/184370980.db2.gz KFINILCINBGEQA-GFCCVEGCSA-N 0 0 313.361 2.292 50 0 DEAARN Cc1noc2ncc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc12 ZINC000065608590 184372569 /nfs/dbraw/zinc/37/25/69/184372569.db2.gz SJVSQJPFOIXWMN-CYBMUJFWSA-N 0 0 311.345 2.205 50 0 DEAARN COc1ccc(-c2csc(NC(=O)N[C@H](C)CO)n2)cc1 ZINC000065609396 184372813 /nfs/dbraw/zinc/37/28/13/184372813.db2.gz NRQOOJIDQOJZNL-SECBINFHSA-N 0 0 307.375 2.321 50 0 DEAARN O=C(c1cn(-c2ccccc2Cl)nn1)N1CCCSCC1 ZINC000065514664 184357841 /nfs/dbraw/zinc/35/78/41/184357841.db2.gz LBNQQNGIIJQAIF-UHFFFAOYSA-N 0 0 322.821 2.500 50 0 DEAARN CCNC(=O)c1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 ZINC000065516350 184358054 /nfs/dbraw/zinc/35/80/54/184358054.db2.gz LNHROHVNHHQJFM-AWEZNQCLSA-N 0 0 305.378 2.079 50 0 DEAARN CCOc1ncnc2c1CN(C[C@H](O)c1cccc(F)c1)CC2 ZINC000065521876 184358968 /nfs/dbraw/zinc/35/89/68/184358968.db2.gz QFNIKDVCNJYGIE-INIZCTEOSA-N 0 0 317.364 2.106 50 0 DEAARN CC(=O)Nc1ccc(F)c(NC(=O)COCC(F)(F)F)c1 ZINC000065622069 184374712 /nfs/dbraw/zinc/37/47/12/184374712.db2.gz OBNPIQXBPHHQTO-UHFFFAOYSA-N 0 0 308.231 2.302 50 0 DEAARN Cc1ccccc1C1(CNC(=O)[C@@H](C)NC(N)=O)CCCCC1 ZINC000065621786 184374762 /nfs/dbraw/zinc/37/47/62/184374762.db2.gz CBOUGZXNJPYZQU-CQSZACIVSA-N 0 0 317.433 2.370 50 0 DEAARN CC(C)(C)c1nc(CNC(=O)C(=O)Nc2cccnc2)cs1 ZINC000065622821 184375031 /nfs/dbraw/zinc/37/50/31/184375031.db2.gz URJUBXPOANXQPI-UHFFFAOYSA-N 0 0 318.402 2.091 50 0 DEAARN Cc1cccc(NCC(=O)Nc2cc(F)ccc2F)c1C(N)=O ZINC000065624077 184375058 /nfs/dbraw/zinc/37/50/58/184375058.db2.gz TYXKZPXPOZOJEJ-UHFFFAOYSA-N 0 0 319.311 2.423 50 0 DEAARN CCCO[C@H]1CCCN(C(=O)C(=O)N(C)c2ccccc2)C1 ZINC000065633065 184375779 /nfs/dbraw/zinc/37/57/79/184375779.db2.gz WCLKLIASHSDYAM-HNNXBMFYSA-N 0 0 304.390 2.067 50 0 DEAARN CC(C)(C)OCCN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000065692153 184376950 /nfs/dbraw/zinc/37/69/50/184376950.db2.gz XYGMNUOTNLSLQF-INIZCTEOSA-N 0 0 308.353 2.408 50 0 DEAARN Cc1cc([C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1 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217221432 /nfs/dbraw/zinc/22/14/32/217221432.db2.gz VZPATEVRMWLMNK-XJKSGUPXSA-N 0 0 314.389 2.034 50 0 DEAARN CN1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)n1 ZINC000015250576 181992954 /nfs/dbraw/zinc/99/29/54/181992954.db2.gz IZOUYBPCGGMYPH-MRXNPFEDSA-N 0 0 305.341 2.464 50 0 DEAARN CN1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1 ZINC000015480013 182004234 /nfs/dbraw/zinc/00/42/34/182004234.db2.gz YRUVLTZINIKSCR-UHFFFAOYSA-N 0 0 303.387 2.291 50 0 DEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000015433872 182002008 /nfs/dbraw/zinc/00/20/08/182002008.db2.gz YLARWWKLCZVKEZ-BETUJISGSA-N 0 0 324.446 2.055 50 0 DEAARN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCc1cccc(F)c1 ZINC000015773414 182015869 /nfs/dbraw/zinc/01/58/69/182015869.db2.gz YFRHQFXVGVZZHC-QGZVFWFLSA-N 0 0 312.344 2.420 50 0 DEAARN CCN(CC[NH+](C)C)C(=O)c1noc2c1COc1ccccc1-2 ZINC000015673865 182011557 /nfs/dbraw/zinc/01/15/57/182011557.db2.gz PCIVFDKWAHDVJE-UHFFFAOYSA-N 0 0 315.373 2.258 50 0 DEAARN CCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(C)CC1 ZINC000015727944 182013781 /nfs/dbraw/zinc/01/37/81/182013781.db2.gz XZXZFXQXUNKRKD-UHFFFAOYSA-N 0 0 315.373 2.169 50 0 DEAARN CCCNC(=O)c1nc(-c2cn(-c3ccccc3)nc2C)no1 ZINC000015729667 182013862 /nfs/dbraw/zinc/01/38/62/182013862.db2.gz VHPORGNWUJMAAB-UHFFFAOYSA-N 0 0 311.345 2.371 50 0 DEAARN CC(C)CC(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000015733979 182014090 /nfs/dbraw/zinc/01/40/90/182014090.db2.gz SGMLDZOHUQXIPW-UHFFFAOYSA-N 0 0 309.391 2.364 50 0 DEAARN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCc1ccco1 ZINC000015766492 182014914 /nfs/dbraw/zinc/01/49/14/182014914.db2.gz ZLYUZKILONVATD-UHFFFAOYSA-N 0 0 320.732 2.200 50 0 DEAARN CCCC(=O)Nc1nc2cc(NS(C)(=O)=O)ccc2s1 ZINC000015870366 182023144 /nfs/dbraw/zinc/02/31/44/182023144.db2.gz XJHRLBRUMWAITH-UHFFFAOYSA-N 0 0 313.404 2.406 50 0 DEAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1S[C@@H](C)CC ZINC000015883399 182023812 /nfs/dbraw/zinc/02/38/12/182023812.db2.gz KTCQEQKIVLBOHN-VIFPVBQESA-N 0 0 307.419 2.085 50 0 DEAARN CCCn1c(SCC(=O)N(C(C)C)C(C)C)n[nH]c1=O ZINC000016049617 182031172 /nfs/dbraw/zinc/03/11/72/182031172.db2.gz WERDMIMEQYMPGW-UHFFFAOYSA-N 0 0 300.428 2.131 50 0 DEAARN COc1ccccc1OS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000016090388 182032797 /nfs/dbraw/zinc/03/27/97/182032797.db2.gz GTBIAEJIPNFBMH-UHFFFAOYSA-N 0 0 324.354 2.480 50 0 DEAARN COc1ccc(CCNC(=O)[C@@H](C)OC(=O)c2ccoc2)cc1 ZINC000016159018 182035628 /nfs/dbraw/zinc/03/56/28/182035628.db2.gz DVLOPUDUMULFMV-GFCCVEGCSA-N 0 0 317.341 2.192 50 0 DEAARN O=S(=O)(Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000016577220 182049909 /nfs/dbraw/zinc/04/99/09/182049909.db2.gz ZNGHGUVVNHAQKH-UHFFFAOYSA-N 0 0 309.318 2.496 50 0 DEAARN CCOc1cc(C)ccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000016579281 182050067 /nfs/dbraw/zinc/05/00/67/182050067.db2.gz RROFKZXOTQDPJF-BETUJISGSA-N 0 0 313.419 2.192 50 0 DEAARN CN1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000016648114 182055668 /nfs/dbraw/zinc/05/56/68/182055668.db2.gz RLQMMUIHMLJHMW-UHFFFAOYSA-N 0 0 323.245 2.071 50 0 DEAARN CC(=O)Nc1ccc(C(=O)OCc2ccc(C(N)=O)cc2)cc1 ZINC000016744286 182060115 /nfs/dbraw/zinc/06/01/15/182060115.db2.gz FEBJZXUPKAYROH-UHFFFAOYSA-N 0 0 312.325 2.101 50 0 DEAARN C[C@@H]1CCc2c(-c3nnc(SCC(N)=O)n3C)csc2C1 ZINC000017056219 182073377 /nfs/dbraw/zinc/07/33/77/182073377.db2.gz FNHLGUAVCNRQDJ-MRVPVSSYSA-N 0 0 322.459 2.246 50 0 DEAARN COC(=O)c1c(C)c(C)sc1NC(=S)NCc1cc[nH]n1 ZINC000017066491 182074015 /nfs/dbraw/zinc/07/40/15/182074015.db2.gz MWGNAQUCUVYWNT-UHFFFAOYSA-N 0 0 324.431 2.361 50 0 DEAARN CCOc1ccc(C(=O)Nc2nnc3n2CCCS3)cc1 ZINC000017307495 182081977 /nfs/dbraw/zinc/08/19/77/182081977.db2.gz JSXUVYLDQDDECW-UHFFFAOYSA-N 0 0 304.375 2.425 50 0 DEAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1 ZINC000018019498 182089515 /nfs/dbraw/zinc/08/95/15/182089515.db2.gz GBOPEEFCTQNSFI-UHFFFAOYSA-N 0 0 322.118 2.464 50 0 DEAARN Cc1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000018023541 182089787 /nfs/dbraw/zinc/08/97/87/182089787.db2.gz MJAFHAULGRAQHR-UHFFFAOYSA-N 0 0 315.373 2.141 50 0 DEAARN Cc1nc(CC(=O)O[C@H](C(=O)N(C)C)c2ccccc2)cs1 ZINC000019297458 182113433 /nfs/dbraw/zinc/11/34/33/182113433.db2.gz UHPFRGAGOMMIKC-HNNXBMFYSA-N 0 0 318.398 2.367 50 0 DEAARN O=C(CCN1CCOCC1)Nc1ccc(Br)cc1 ZINC000019841351 182155907 /nfs/dbraw/zinc/15/59/07/182155907.db2.gz FFKILSHSSTVOBO-UHFFFAOYSA-N 0 0 313.195 2.110 50 0 DEAARN CCOc1ccc2[nH]c(C)c(CN3CCOCC3)c(=O)c2c1 ZINC000019791988 182149999 /nfs/dbraw/zinc/14/99/99/182149999.db2.gz XFVXEOXEHSSPHW-UHFFFAOYSA-N 0 0 302.374 2.067 50 0 DEAARN COC[C@H]1CCCN(C(=O)c2ccc(NCCSC)nc2)C1 ZINC000019794654 182150416 /nfs/dbraw/zinc/15/04/16/182150416.db2.gz ZLCZPHPLBRGUGZ-ZDUSSCGKSA-N 0 0 323.462 2.355 50 0 DEAARN CC(C)(C)OC(=O)N1CCN(Cc2cccc(CO)c2)CC1 ZINC000019850914 182157514 /nfs/dbraw/zinc/15/75/14/182157514.db2.gz SVXAVOKCPICEEL-UHFFFAOYSA-N 0 0 306.406 2.232 50 0 DEAARN C[C@H](C(=O)NCC1(c2ccccc2)CCCC1)N1CCOCC1 ZINC000019892907 182161548 /nfs/dbraw/zinc/16/15/48/182161548.db2.gz CIMNDLLQVWHXSU-MRXNPFEDSA-N 0 0 316.445 2.335 50 0 DEAARN COC(=O)c1cnn2c1NCN(Cc1ccccc1Cl)C2 ZINC000020319934 182206400 /nfs/dbraw/zinc/20/64/00/182206400.db2.gz YRYDXEXDAMJDFY-UHFFFAOYSA-N 0 0 306.753 2.166 50 0 DEAARN O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000020209890 182197483 /nfs/dbraw/zinc/19/74/83/182197483.db2.gz IWLKNLVRWUHOBJ-CVEARBPZSA-N 0 0 301.386 2.073 50 0 DEAARN CCNC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)NC(C)C)C1 ZINC000097637729 193742438 /nfs/dbraw/zinc/74/24/38/193742438.db2.gz GOLUTVSSQHCOIU-LSDHHAIUSA-N 0 0 321.396 2.095 50 0 DEAARN COc1ccccc1C(=O)Nc1ccc(NC[C@@H](C)O)nc1 ZINC000020381404 182212936 /nfs/dbraw/zinc/21/29/36/182212936.db2.gz OVFCSICHFJRLFD-LLVKDONJSA-N 0 0 301.346 2.135 50 0 DEAARN Cc1ccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000020488620 182223614 /nfs/dbraw/zinc/22/36/14/182223614.db2.gz DTUSEXOOKZUWPM-UHFFFAOYSA-N 0 0 306.365 2.415 50 0 DEAARN Cc1cccc2c(C(=O)N3CCOCC3)cc(-c3cn[nH]c3)nc12 ZINC000020454883 182219616 /nfs/dbraw/zinc/21/96/16/182219616.db2.gz LZSJCMYYSLCWNY-UHFFFAOYSA-N 0 0 322.368 2.406 50 0 DEAARN O=C([C@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000020457784 182220004 /nfs/dbraw/zinc/22/00/04/182220004.db2.gz QXRODXQELGWWNK-OAHLLOKOSA-N 0 0 308.809 2.163 50 0 DEAARN COC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(F)n2)c2ccccc21 ZINC000096010937 284432809 /nfs/dbraw/zinc/43/28/09/284432809.db2.gz XPFZGNKBVLJKRO-GXTWGEPZSA-N 0 0 314.316 2.352 50 0 DEAARN CCCOc1ccccc1OCCOCCN1CCOCC1 ZINC000020639324 182240963 /nfs/dbraw/zinc/24/09/63/182240963.db2.gz VSLKYKPZUVXPTH-UHFFFAOYSA-N 0 0 309.406 2.203 50 0 DEAARN O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O ZINC000020727013 182244165 /nfs/dbraw/zinc/24/41/65/182244165.db2.gz ZBFAINJOLBNVGC-UHFFFAOYSA-N 0 0 307.309 2.092 50 0 DEAARN Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000020603120 182237185 /nfs/dbraw/zinc/23/71/85/182237185.db2.gz RCLGIAZVWYKXOA-CYBMUJFWSA-N 0 0 315.373 2.496 50 0 DEAARN O=C(Cc1cnc(-n2cccc2)s1)NCCc1ccco1 ZINC000020728066 182244623 /nfs/dbraw/zinc/24/46/23/182244623.db2.gz ZHXASHSJKJVWPJ-UHFFFAOYSA-N 0 0 301.371 2.428 50 0 DEAARN O=C(CN1CCN(CC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000020763802 182247003 /nfs/dbraw/zinc/24/70/03/182247003.db2.gz JYZWZUZEXDJDHQ-UHFFFAOYSA-N 0 0 322.408 2.370 50 0 DEAARN COc1ccccc1CN1CCN(C(=O)c2ccncc2)CC1 ZINC000020806507 182247951 /nfs/dbraw/zinc/24/79/51/182247951.db2.gz NBHRMMLXTUXRIW-UHFFFAOYSA-N 0 0 311.385 2.048 50 0 DEAARN CCOC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000020863965 182250363 /nfs/dbraw/zinc/25/03/63/182250363.db2.gz CMCXEOKUOCAZFW-LLVKDONJSA-N 0 0 306.391 2.108 50 0 DEAARN O=C(NCc1cccs1)[C@H]1CCN(c2ccccc2)C1=O ZINC000021045182 182263598 /nfs/dbraw/zinc/26/35/98/182263598.db2.gz DBUAJODMFBJQBV-CQSZACIVSA-N 0 0 300.383 2.417 50 0 DEAARN C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C[C@@H](C)O1 ZINC000020963077 182256476 /nfs/dbraw/zinc/25/64/76/182256476.db2.gz HEBMMEIANSPWLR-GHMZBOCLSA-N 0 0 313.357 2.279 50 0 DEAARN C[C@@H](Oc1ccccc1)C(=O)NCCc1cn2ccccc2n1 ZINC000021136016 182266287 /nfs/dbraw/zinc/26/62/87/182266287.db2.gz LHMGYZRWIDKMFY-CQSZACIVSA-N 0 0 309.369 2.461 50 0 DEAARN O=C(COCc1nc2ccccc2s1)Nc1nncs1 ZINC000021214746 182269551 /nfs/dbraw/zinc/26/95/51/182269551.db2.gz ZINABFBMLFJPQX-UHFFFAOYSA-N 0 0 306.372 2.303 50 0 DEAARN CC(=O)COC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000021326548 182271874 /nfs/dbraw/zinc/27/18/74/182271874.db2.gz FAZOPEOJPAWABE-SNVBAGLBSA-N 0 0 313.350 2.018 50 0 DEAARN CN(C)C(=O)c1ccc(S(=O)(=O)NC2CCCCC2)s1 ZINC000021636951 182281223 /nfs/dbraw/zinc/28/12/23/182281223.db2.gz CYQGWZFMAJEISR-UHFFFAOYSA-N 0 0 316.448 2.061 50 0 DEAARN O=C(NCc1ccccc1F)c1ccc2c(c1)OCC(=O)N2 ZINC000021896014 182297260 /nfs/dbraw/zinc/29/72/60/182297260.db2.gz CAPNIMVHZXYVJY-UHFFFAOYSA-N 0 0 300.289 2.087 50 0 DEAARN Cc1ccsc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000021910960 182297946 /nfs/dbraw/zinc/29/79/46/182297946.db2.gz DIBNSBBNFJYENQ-SNVBAGLBSA-N 0 0 324.427 2.195 50 0 DEAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c[nH]nc1-c1ccccc1 ZINC000022018763 182304598 /nfs/dbraw/zinc/30/45/98/182304598.db2.gz GXAGLRCQEKNYOT-UHFFFAOYSA-N 0 0 319.324 2.499 50 0 DEAARN O=C(CN1c2ccccc2OCCC1=O)Nc1ccccc1O ZINC000022024278 182304607 /nfs/dbraw/zinc/30/46/07/182304607.db2.gz PQKFFOMEQVXPFH-UHFFFAOYSA-N 0 0 312.325 2.146 50 0 DEAARN O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cnccn1 ZINC000022088044 182308390 /nfs/dbraw/zinc/30/83/90/182308390.db2.gz YTTQXQFLFDJNLG-UHFFFAOYSA-N 0 0 305.341 2.403 50 0 DEAARN CN(C)c1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cn1 ZINC000022327162 182318340 /nfs/dbraw/zinc/31/83/40/182318340.db2.gz GHPYUDJENTZSOS-UHFFFAOYSA-N 0 0 308.382 2.001 50 0 DEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1 ZINC000022401186 182320634 /nfs/dbraw/zinc/32/06/34/182320634.db2.gz FDHHDXGEUIMYDZ-UHFFFAOYSA-N 0 0 310.400 2.251 50 0 DEAARN CCn1cc(C(=O)N[C@@H](C)COC)c(=O)c2cc(Cl)ccc21 ZINC000022234988 182314039 /nfs/dbraw/zinc/31/40/39/182314039.db2.gz FPAKONKNPZDKCO-JTQLQIEISA-N 0 0 322.792 2.440 50 0 DEAARN OCCN1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000022944985 182343586 /nfs/dbraw/zinc/34/35/86/182343586.db2.gz KBNVCTUMVZYTHC-UHFFFAOYSA-N 0 0 321.808 2.105 50 0 DEAARN C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)NCc1ccco1 ZINC000022988828 182344208 /nfs/dbraw/zinc/34/42/08/182344208.db2.gz ZEONKANUBXLDGI-SECBINFHSA-N 0 0 322.748 2.377 50 0 DEAARN Cc1cc(F)ccc1S(=O)(=O)NCCCOCC1CC1 ZINC000022843616 182337152 /nfs/dbraw/zinc/33/71/52/182337152.db2.gz QEPDPQDBAXPSII-UHFFFAOYSA-N 0 0 301.383 2.229 50 0 DEAARN O=C(NCC[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1 ZINC000023189738 182352783 /nfs/dbraw/zinc/35/27/83/182352783.db2.gz HUGUDRBDVRYVNK-HNNXBMFYSA-N 0 0 302.374 2.112 50 0 DEAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(F)cc1F ZINC000023053765 182346488 /nfs/dbraw/zinc/34/64/88/182346488.db2.gz DBBZMMUAGGRELZ-UHFFFAOYSA-N 0 0 315.279 2.313 50 0 DEAARN O=C(NCc1cn2ccccc2n1)c1cc(-c2ccco2)n[nH]1 ZINC000023082788 182346796 /nfs/dbraw/zinc/34/67/96/182346796.db2.gz ZXNIAIWGWXVGAB-UHFFFAOYSA-N 0 0 307.313 2.247 50 0 DEAARN O=C(CSc1ccccc1)N1CCC[C@H](N2CCOCC2)C1 ZINC000023128610 182349889 /nfs/dbraw/zinc/34/98/89/182349889.db2.gz CFBUYLQPPDYJEN-HNNXBMFYSA-N 0 0 320.458 2.102 50 0 DEAARN C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccccc1Br ZINC000023525668 182362933 /nfs/dbraw/zinc/36/29/33/182362933.db2.gz JYILKTAOUFDAPI-MRVPVSSYSA-N 0 0 322.162 2.436 50 0 DEAARN CS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1Cl ZINC000023692303 182367069 /nfs/dbraw/zinc/36/70/69/182367069.db2.gz ORTADWACURDEAS-UHFFFAOYSA-N 0 0 324.789 2.069 50 0 DEAARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000024178135 182376052 /nfs/dbraw/zinc/37/60/52/182376052.db2.gz XDOGUJYJYCTDDV-SFHVURJKSA-N 0 0 310.397 2.490 50 0 DEAARN CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C(C)C)no2)C1 ZINC000024218263 182377430 /nfs/dbraw/zinc/37/74/30/182377430.db2.gz ZXLCGHYVILFMEM-GFCCVEGCSA-N 0 0 323.393 2.012 50 0 DEAARN Cn1ccnc1[C@H](NC(=O)c1ccncc1)c1ccc(F)cc1 ZINC000023776094 182368356 /nfs/dbraw/zinc/36/83/56/182368356.db2.gz KOWJYQPQGUFFTE-OAHLLOKOSA-N 0 0 310.332 2.474 50 0 DEAARN COC(=O)c1cc(CN(C)C(=O)Cc2c(C)noc2C)oc1C ZINC000024281153 182378753 /nfs/dbraw/zinc/37/87/53/182378753.db2.gz PBQSHSVNAGJGGT-UHFFFAOYSA-N 0 0 320.345 2.181 50 0 DEAARN Nc1nc(Cl)cc(NCc2ccnc(N3CCCC3)c2)n1 ZINC000024056960 182374172 /nfs/dbraw/zinc/37/41/72/182374172.db2.gz KVOKGHUFQPUZLE-UHFFFAOYSA-N 0 0 304.785 2.320 50 0 DEAARN Cc1ccc(S(=O)(=O)CCC(=O)NC(C2CC2)C2CC2)cc1 ZINC000024465286 182380914 /nfs/dbraw/zinc/38/09/14/182380914.db2.gz QAWIBJXHFOFTMI-UHFFFAOYSA-N 0 0 321.442 2.464 50 0 DEAARN O=S(=O)(NCC[C@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000024433350 182381273 /nfs/dbraw/zinc/38/12/73/182381273.db2.gz AFSLCMZHVATDSF-OAHLLOKOSA-N 0 0 309.431 2.413 50 0 DEAARN CCOC(=O)c1cc2cc(C(=O)NC[C@H]3CCCO3)ccc2[nH]1 ZINC000024538805 182383469 /nfs/dbraw/zinc/38/34/69/182383469.db2.gz OPZPDPIKOMZWKG-CYBMUJFWSA-N 0 0 316.357 2.253 50 0 DEAARN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2[nH]ccc2c1 ZINC000113083894 296219397 /nfs/dbraw/zinc/21/93/97/296219397.db2.gz LLINNNFLQZBNJD-QWRGUYRKSA-N 0 0 308.403 2.062 50 0 DEAARN O=C(COC(=O)c1ccc(F)c(F)c1)NCc1cccs1 ZINC000025016128 182398844 /nfs/dbraw/zinc/39/88/44/182398844.db2.gz WLUHJPHKWBLREG-UHFFFAOYSA-N 0 0 311.309 2.500 50 0 DEAARN C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000025042872 182399577 /nfs/dbraw/zinc/39/95/77/182399577.db2.gz ZNETXSWVXOTSOG-ZFWWWQNUSA-N 0 0 324.446 2.002 50 0 DEAARN C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000025042883 182399677 /nfs/dbraw/zinc/39/96/77/182399677.db2.gz ZNETXSWVXOTSOG-DZGCQCFKSA-N 0 0 324.446 2.002 50 0 DEAARN COc1cccc2cc([C@H](C)NC(=O)[C@H](C)NC(C)=O)oc21 ZINC000025139410 182402700 /nfs/dbraw/zinc/40/27/00/182402700.db2.gz ANCULZCADUTDTP-UWVGGRQHSA-N 0 0 304.346 2.143 50 0 DEAARN O=C(CCCNC(=O)c1ccsc1)NCCc1ccccn1 ZINC000025177253 182403483 /nfs/dbraw/zinc/40/34/83/182403483.db2.gz AAJOYBYFDYIIFA-UHFFFAOYSA-N 0 0 317.414 2.012 50 0 DEAARN Nc1cc(CCCNC(=O)c2cccnc2)nn1-c1ccccc1 ZINC000024863040 182393056 /nfs/dbraw/zinc/39/30/56/182393056.db2.gz GSWGBFSGVZGQQO-UHFFFAOYSA-N 0 0 321.384 2.212 50 0 DEAARN C[C@H]1C[C@H](C)CN(C(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000024984006 182396750 /nfs/dbraw/zinc/39/67/50/182396750.db2.gz NBHFATREAQDCSZ-KBPBESRZSA-N 0 0 315.417 2.235 50 0 DEAARN C[C@@H](NC(=O)c1cn(C)nc1C1CCCCC1)c1nc[nH]n1 ZINC000267673883 206211990 /nfs/dbraw/zinc/21/19/90/206211990.db2.gz DTINPVIXKKXNFH-SNVBAGLBSA-N 0 0 302.382 2.077 50 0 DEAARN CCn1cnc2c1nc(NCCO)nc2Nc1ccc(C)cc1 ZINC000026532938 182444918 /nfs/dbraw/zinc/44/49/18/182444918.db2.gz SYGVBYWKKNFOSB-UHFFFAOYSA-N 0 0 312.377 2.302 50 0 DEAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)o1 ZINC000100098566 193794475 /nfs/dbraw/zinc/79/44/75/193794475.db2.gz QFBBWNBTECTMDL-UHFFFAOYSA-N 0 0 305.330 2.169 50 0 DEAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCC2)cc1 ZINC000030536382 182592021 /nfs/dbraw/zinc/59/20/21/182592021.db2.gz UJRIFWXFQVBORU-QGZVFWFLSA-N 0 0 302.418 2.285 50 0 DEAARN Cc1nc2ccc(C(=O)O[C@@H]3C[C@@H](C)OC3=O)cc2nc1C ZINC000032741752 182658339 /nfs/dbraw/zinc/65/83/39/182658339.db2.gz PJQCNYALAHONKP-XLKFXECMSA-N 0 0 300.314 2.107 50 0 DEAARN COC(=O)[C@@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C ZINC000032865266 182672665 /nfs/dbraw/zinc/67/26/65/182672665.db2.gz SCYYVTZEWUABQB-SNVBAGLBSA-N 0 0 303.314 2.270 50 0 DEAARN COCC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000032905042 182677232 /nfs/dbraw/zinc/67/72/32/182677232.db2.gz JFWZIKWXAVDFRY-UHFFFAOYSA-N 0 0 324.178 2.279 50 0 DEAARN C[C@]1(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1(Cl)Cl ZINC000033062527 182691037 /nfs/dbraw/zinc/69/10/37/182691037.db2.gz OQUAKYVQSJATAA-LLVKDONJSA-N 0 0 305.136 2.447 50 0 DEAARN Cc1ccc(CCNC(=O)c2nc3ccccc3n(C)c2=O)cc1 ZINC000033085868 182691908 /nfs/dbraw/zinc/69/19/08/182691908.db2.gz XHAMPBJHYOEUMF-UHFFFAOYSA-N 0 0 321.380 2.214 50 0 DEAARN Cc1ccccc1NC(=O)Cn1ncc(-c2ccccc2)nc1=O ZINC000033324528 182704316 /nfs/dbraw/zinc/70/43/16/182704316.db2.gz UPHNLDRQAQUNBB-UHFFFAOYSA-N 0 0 320.352 2.252 50 0 DEAARN COc1cc(OC)cc(C(=O)NCc2noc(C(C)C)n2)c1 ZINC000033327967 182705376 /nfs/dbraw/zinc/70/53/76/182705376.db2.gz HKDJBPGBJYLKNP-UHFFFAOYSA-N 0 0 305.334 2.140 50 0 DEAARN Cc1c[nH]cc1C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456674761 247349038 /nfs/dbraw/zinc/34/90/38/247349038.db2.gz XRTBSQHIXOXDRD-STQMWFEESA-N 0 0 311.385 2.419 50 0 DEAARN O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000034916169 182744108 /nfs/dbraw/zinc/74/41/08/182744108.db2.gz IVOAQWZGTDPZAW-AWEZNQCLSA-N 0 0 312.344 2.495 50 0 DEAARN CC(C)n1cnc2c1c(=O)n(CC1CC1)c(=O)n2-c1ccccc1 ZINC000037279719 182878047 /nfs/dbraw/zinc/87/80/47/182878047.db2.gz KDYZFBJCRFNBQC-UHFFFAOYSA-N 0 0 324.384 2.340 50 0 DEAARN O=c1c(=O)c(NCc2cccc(F)c2)c1NCc1ccncc1 ZINC000101701583 193836348 /nfs/dbraw/zinc/83/63/48/193836348.db2.gz DZVQOBQCNFWYLT-UHFFFAOYSA-N 0 0 311.316 2.041 50 0 DEAARN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](NC(C)=O)C(C)C ZINC000039983216 183026786 /nfs/dbraw/zinc/02/67/86/183026786.db2.gz HSMNYKCFNWIEIY-MLGOLLRUSA-N 0 0 306.406 2.342 50 0 DEAARN CC(C)C[C@H](C)N(C)C(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000040068489 183030555 /nfs/dbraw/zinc/03/05/55/183030555.db2.gz JVGDDZOYANZRRH-ZDUSSCGKSA-N 0 0 317.389 2.396 50 0 DEAARN CN(C(=O)CCNS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000039211502 183014885 /nfs/dbraw/zinc/01/48/85/183014885.db2.gz UIQYPQZJQDYBFY-UHFFFAOYSA-N 0 0 324.446 2.146 50 0 DEAARN CC(C)Nc1ncnc(Nc2ccc(S(C)(=O)=O)cc2)c1N ZINC000040450124 183068316 /nfs/dbraw/zinc/06/83/16/183068316.db2.gz AYCXPWPBOCAVFJ-UHFFFAOYSA-N 0 0 321.406 2.026 50 0 DEAARN CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000040463032 183070910 /nfs/dbraw/zinc/07/09/10/183070910.db2.gz HZAKRIKDONLKMS-ZKXNXJMVSA-N 0 0 314.307 2.359 50 0 DEAARN CSCc1nc2ccccc2n1CC(=O)N1CCO[C@H](C)C1 ZINC000040477923 183075859 /nfs/dbraw/zinc/07/58/59/183075859.db2.gz GOMIWFNHKLWNLX-GFCCVEGCSA-N 0 0 319.430 2.147 50 0 DEAARN COC(=O)c1cccc(OCc2cc(=O)n3c(C)cccc3n2)c1 ZINC000040479291 183076945 /nfs/dbraw/zinc/07/69/45/183076945.db2.gz QGJOTLULPPTTLO-UHFFFAOYSA-N 0 0 324.336 2.369 50 0 DEAARN COc1ccc(CN(C)[C@H](C(N)=O)c2ccccc2)cc1F ZINC000040481513 183077911 /nfs/dbraw/zinc/07/79/11/183077911.db2.gz JEGQBTFWGBMNSR-INIZCTEOSA-N 0 0 302.349 2.493 50 0 DEAARN COc1ccc([C@@H]2CCCN2CC(=O)NC2CC2)cc1OC ZINC000040497710 183081623 /nfs/dbraw/zinc/08/16/23/183081623.db2.gz JDZFLZFJLATMDY-AWEZNQCLSA-N 0 0 304.390 2.119 50 0 DEAARN COCc1ccccc1C(=O)NCc1nnc2n1CCCCC2 ZINC000040508492 183086109 /nfs/dbraw/zinc/08/61/09/183086109.db2.gz WMJXRLKQFRMJFY-UHFFFAOYSA-N 0 0 314.389 2.081 50 0 DEAARN Cc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)n(C)n1 ZINC000040512254 183087244 /nfs/dbraw/zinc/08/72/44/183087244.db2.gz BXKTVZCNVCSKGO-UHFFFAOYSA-N 0 0 309.373 2.486 50 0 DEAARN COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cccn2)c1 ZINC000040512924 183088308 /nfs/dbraw/zinc/08/83/08/183088308.db2.gz MTNVMOYHPLCRIV-GFCCVEGCSA-N 0 0 303.362 2.168 50 0 DEAARN Cc1c(C(=O)NC[C@@H]2CCOC2)sc2nc(C)nc(C)c12 ZINC000040514284 183088878 /nfs/dbraw/zinc/08/88/78/183088878.db2.gz XVHUCUKJSBYBQT-NSHDSACASA-N 0 0 305.403 2.383 50 0 DEAARN CCS(=O)(=O)c1ccccc1NC(=O)NCc1ccco1 ZINC000040527052 183093531 /nfs/dbraw/zinc/09/35/31/183093531.db2.gz IWWYRACUEDBIMS-UHFFFAOYSA-N 0 0 308.359 2.395 50 0 DEAARN CCOC(=O)N1CCC(NC(=O)c2scnc2Cl)CC1 ZINC000040554203 183100948 /nfs/dbraw/zinc/10/09/48/183100948.db2.gz XYGMUZKWVXGAPG-UHFFFAOYSA-N 0 0 317.798 2.147 50 0 DEAARN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1ccccc1)O2 ZINC000040778669 183132129 /nfs/dbraw/zinc/13/21/29/183132129.db2.gz UINAQOFXWQZXCZ-SFHVURJKSA-N 0 0 310.353 2.401 50 0 DEAARN CCOc1ccc2cc(S(=O)(=O)N[C@H](CC)CO)ccc2c1 ZINC000041096361 183165618 /nfs/dbraw/zinc/16/56/18/183165618.db2.gz XEGJWJKIBLMXKU-CQSZACIVSA-N 0 0 323.414 2.288 50 0 DEAARN Cc1noc([C@@H]2CCCN(C(=O)COc3ccccc3C)C2)n1 ZINC000041122141 183167547 /nfs/dbraw/zinc/16/75/47/183167547.db2.gz MROKOJQPWLCHGJ-CQSZACIVSA-N 0 0 315.373 2.471 50 0 DEAARN CC[C@H](C)c1noc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000041122081 183167781 /nfs/dbraw/zinc/16/77/81/183167781.db2.gz URAFEIXZFHDQSD-AAEUAGOBSA-N 0 0 307.394 2.468 50 0 DEAARN CCCc1noc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000041122459 183167819 /nfs/dbraw/zinc/16/78/19/183167819.db2.gz ISSIAYYMHBGADR-ZDUSSCGKSA-N 0 0 300.362 2.437 50 0 DEAARN CC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000042036354 183230434 /nfs/dbraw/zinc/23/04/34/183230434.db2.gz OSZZIFTYJCEMDY-JTQLQIEISA-N 0 0 312.295 2.474 50 0 DEAARN CC(=O)Nc1ccc(OC(=O)CCCc2nc(C)no2)cc1 ZINC000041619227 183210344 /nfs/dbraw/zinc/21/03/44/183210344.db2.gz BNMYZTMDOYNMFS-UHFFFAOYSA-N 0 0 303.318 2.265 50 0 DEAARN O=C(c1cncc(Br)c1)N1CCO[C@H]2CCC[C@@H]21 ZINC000042291032 183249849 /nfs/dbraw/zinc/24/98/49/183249849.db2.gz YXDBHIHSFKDQNC-RYUDHWBXSA-N 0 0 311.179 2.238 50 0 DEAARN Cc1c(C(=O)N(C)CCCOc2ccc(F)cc2)cnn1C ZINC000042076144 183231679 /nfs/dbraw/zinc/23/16/79/183231679.db2.gz KXUHEIRNZSQYRE-UHFFFAOYSA-N 0 0 305.353 2.409 50 0 DEAARN COc1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)cc1F ZINC000042092665 183232096 /nfs/dbraw/zinc/23/20/96/183232096.db2.gz XBYXSBMGBWUPFZ-VQHVLOKHSA-N 0 0 320.364 2.104 50 0 DEAARN CCN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1Cl ZINC000042157432 183236582 /nfs/dbraw/zinc/23/65/82/183236582.db2.gz LMKFCJBEKGPOFJ-UHFFFAOYSA-N 0 0 323.824 2.492 50 0 DEAARN CC(C)CO[C@@H](C)C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000042473153 183273628 /nfs/dbraw/zinc/27/36/28/183273628.db2.gz SBAXNLWJTRDDRO-NSHDSACASA-N 0 0 314.407 2.058 50 0 DEAARN C[C@@H](NC(=O)c1cn2ccccc2n1)c1nnc2n1CCCCC2 ZINC000042496908 183276833 /nfs/dbraw/zinc/27/68/33/183276833.db2.gz WTKQKUARACCUSQ-GFCCVEGCSA-N 0 0 324.388 2.143 50 0 DEAARN Cc1ccc2c(c1)S[C@H](C(=O)N[C@@H](C)Cn1cccn1)C2 ZINC000042368429 183260180 /nfs/dbraw/zinc/26/01/80/183260180.db2.gz BTXFQJCEQQRBBG-WFASDCNBSA-N 0 0 301.415 2.413 50 0 DEAARN COCCNC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000042843407 183313838 /nfs/dbraw/zinc/31/38/38/183313838.db2.gz BSKIZAVXTBZZQK-CQSZACIVSA-N 0 0 308.378 2.197 50 0 DEAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCC(N)=O ZINC000042925717 183318948 /nfs/dbraw/zinc/31/89/48/183318948.db2.gz GIUAODNTDSNIHT-UHFFFAOYSA-N 0 0 305.765 2.192 50 0 DEAARN O=C(Nc1nncs1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000043128346 183339590 /nfs/dbraw/zinc/33/95/90/183339590.db2.gz ANUJUFGTDUUNIP-LLVKDONJSA-N 0 0 308.338 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/nfs/dbraw/zinc/00/48/87/182004887.db2.gz DPXSXIKWLRCTSF-LBPRGKRZSA-N 0 0 319.430 2.151 50 0 DEAARN Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(F)cc2)c(=O)[nH]1 ZINC000015565657 182007308 /nfs/dbraw/zinc/00/73/08/182007308.db2.gz GYKKQMKBZMBSRP-SNVBAGLBSA-N 0 0 317.364 2.336 50 0 DEAARN CCN1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 ZINC000015679375 182012512 /nfs/dbraw/zinc/01/25/12/182012512.db2.gz PBMAGXHTBJZSCJ-UHFFFAOYSA-N 0 0 312.417 2.471 50 0 DEAARN COc1ccc(Cl)cc1NC(=O)c1cnc(N(C)C)nc1 ZINC000015777770 182016139 /nfs/dbraw/zinc/01/61/39/182016139.db2.gz AEVCCRPTOKVORT-UHFFFAOYSA-N 0 0 306.753 2.457 50 0 DEAARN CC(=O)c1ccccc1OCCOC(=O)c1c(C)noc1N ZINC000016326830 182040289 /nfs/dbraw/zinc/04/02/89/182040289.db2.gz AICUNCHXPQALTI-UHFFFAOYSA-N 0 0 304.302 2.004 50 0 DEAARN CN(C(=O)Cn1cnc2ccsc2c1=O)C1CCCCC1 ZINC000016331286 182040331 /nfs/dbraw/zinc/04/03/31/182040331.db2.gz LZHGOORCHPSMSF-UHFFFAOYSA-N 0 0 305.403 2.249 50 0 DEAARN CC(C)n1nnnc1S[C@H](C(=O)N(C)C)c1ccccc1 ZINC000016453644 182044906 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182202005 /nfs/dbraw/zinc/20/20/05/182202005.db2.gz QZJJGZASGDFBKL-AWEZNQCLSA-N 0 0 311.385 2.208 50 0 DEAARN Cc1cc(S(=O)(=O)NC2CCCC2)ccc1N1CCCC1=O ZINC000020486247 182223106 /nfs/dbraw/zinc/22/31/06/182223106.db2.gz FWAXZAPLRIVYAX-UHFFFAOYSA-N 0 0 322.430 2.343 50 0 DEAARN CC1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000020485510 182223251 /nfs/dbraw/zinc/22/32/51/182223251.db2.gz IVAHBXSTUCNCCR-UHFFFAOYSA-N 0 0 302.418 2.391 50 0 DEAARN O=C(/C=C/c1ccccc1Cl)NCCCN1CCOCC1 ZINC000020494450 182224202 /nfs/dbraw/zinc/22/42/02/182224202.db2.gz MTWQXLKOOGBFKB-VOTSOKGWSA-N 0 0 308.809 2.192 50 0 DEAARN COC[C@@H](C)NC(=O)COCc1cc(-c2cccs2)on1 ZINC000020550797 182230370 /nfs/dbraw/zinc/23/03/70/182230370.db2.gz XNNKHDVAEMSFHZ-SNVBAGLBSA-N 0 0 310.375 2.071 50 0 DEAARN CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cccs1 ZINC000020602060 182236122 /nfs/dbraw/zinc/23/61/22/182236122.db2.gz YPCXDFMOGDVUAZ-UHFFFAOYSA-N 0 0 319.839 2.439 50 0 DEAARN COc1cccc(C[C@@H]2CN(Cc3ccc(CO)o3)CCO2)c1 ZINC000020601723 182236425 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O=C(NCCS(=O)(=O)Cc1ccccc1)[C@@H]1CC=CCC1 ZINC000041617541 183210390 /nfs/dbraw/zinc/21/03/90/183210390.db2.gz WRZQUNYMLDTLQS-OAHLLOKOSA-N 0 0 307.415 2.074 50 0 DEAARN CCN(CC(=O)OC)C(=O)CCc1nc2ccccc2s1 ZINC000042299236 183250518 /nfs/dbraw/zinc/25/05/18/183250518.db2.gz VAPXTOCCNILOGJ-UHFFFAOYSA-N 0 0 306.387 2.250 50 0 DEAARN O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1cccs1 ZINC000042658405 183294799 /nfs/dbraw/zinc/29/47/99/183294799.db2.gz CMWVSKNVSOXHIR-UHFFFAOYSA-N 0 0 316.382 2.328 50 0 DEAARN NC(=O)C1CCN(Cc2sccc2Br)CC1 ZINC000043501855 183367525 /nfs/dbraw/zinc/36/75/25/183367525.db2.gz LYGONISIMGWYEH-UHFFFAOYSA-N 0 0 303.225 2.208 50 0 DEAARN NC(=O)[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000044011755 183392828 /nfs/dbraw/zinc/39/28/28/183392828.db2.gz FPHVZTVQXVVGHJ-HNNXBMFYSA-N 0 0 311.316 2.263 50 0 DEAARN COCc1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000044548941 183420560 /nfs/dbraw/zinc/42/05/60/183420560.db2.gz KLJPJGMDRIIEOQ-XJKSGUPXSA-N 0 0 320.414 2.226 50 0 DEAARN O=C(Cn1ccccc1=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000044720847 183434651 /nfs/dbraw/zinc/43/46/51/183434651.db2.gz HNOYGZFWTDPBQN-IBGZPJMESA-N 0 0 319.364 2.149 50 0 DEAARN COc1ccc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1 ZINC000044934424 183460769 /nfs/dbraw/zinc/46/07/69/183460769.db2.gz WHYXJHTWPYWGGQ-LBPRGKRZSA-N 0 0 314.389 2.043 50 0 DEAARN CC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)no2)CC1 ZINC000044942685 183463180 /nfs/dbraw/zinc/46/31/80/183463180.db2.gz HLHCTXMZGMQQLW-UHFFFAOYSA-N 0 0 313.357 2.082 50 0 DEAARN C[C@H](NC(=O)NCC1(c2ccccc2)CCC1)c1nncn1C ZINC000045370936 183502675 /nfs/dbraw/zinc/50/26/75/183502675.db2.gz RBZVYHKSQGNMIN-ZDUSSCGKSA-N 0 0 313.405 2.297 50 0 DEAARN O=C(N[C@@H]1CCCCNC1=O)N1CCC[C@@H]1c1ccsc1 ZINC000045671262 183523499 /nfs/dbraw/zinc/52/34/99/183523499.db2.gz VTFVQCRUWHEIDO-CHWSQXEVSA-N 0 0 307.419 2.263 50 0 DEAARN C[C@@H]1CCC[C@H](NC(=O)CNC(=O)Cc2ccccc2)[C@H]1C ZINC000104724236 194030869 /nfs/dbraw/zinc/03/08/69/194030869.db2.gz AFTCGZOIXWNIPF-YCPHGPKFSA-N 0 0 302.418 2.286 50 0 DEAARN Cc1noc([C@@H]2C[N@@H+](CCc3ccc(C)cc3)CCN2C)n1 ZINC000284575936 218085312 /nfs/dbraw/zinc/08/53/12/218085312.db2.gz GWMXKWLNVAVBPJ-INIZCTEOSA-N 0 0 300.406 2.218 50 0 DEAARN CS(=O)(=O)c1cc(-c2noc(C[C@H]3C=CCC3)n2)ccn1 ZINC000273873749 211132654 /nfs/dbraw/zinc/13/26/54/211132654.db2.gz NZLRYOXWLRRGGT-JTQLQIEISA-N 0 0 305.359 2.044 50 0 DEAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCCOC)n2CC)c1 ZINC000105557077 194110093 /nfs/dbraw/zinc/11/00/93/194110093.db2.gz LQEDSHGMZPAGDF-UHFFFAOYSA-N 0 0 317.389 2.386 50 0 DEAARN NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000047254915 183585130 /nfs/dbraw/zinc/58/51/30/183585130.db2.gz OYDKKTGYPVYSBW-UHFFFAOYSA-N 0 0 305.721 2.175 50 0 DEAARN C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000047865810 183606782 /nfs/dbraw/zinc/60/67/82/183606782.db2.gz TTYMXIUJFTUULZ-GXTWGEPZSA-N 0 0 300.362 2.095 50 0 DEAARN COCC1(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)CCC1 ZINC000285029610 218262929 /nfs/dbraw/zinc/26/29/29/218262929.db2.gz SGUPWIKPIGHONR-UHFFFAOYSA-N 0 0 320.389 2.328 50 0 DEAARN CC[C@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)CCO1 ZINC000048137834 183623496 /nfs/dbraw/zinc/62/34/96/183623496.db2.gz CEQSUJOUCCJWTB-JTQLQIEISA-N 0 0 318.295 2.274 50 0 DEAARN C[C@@H](Cn1ccnc1)NC(=O)Nc1cccnc1N1CCCC1 ZINC000048171396 183625059 /nfs/dbraw/zinc/62/50/59/183625059.db2.gz ZQTDJJCENYAHLH-ZDUSSCGKSA-N 0 0 314.393 2.089 50 0 DEAARN COc1ccc(NC(=O)NCc2nnc3ccccn32)cc1F ZINC000048449956 183660681 /nfs/dbraw/zinc/66/06/81/183660681.db2.gz RUTGSCASHQDGKE-UHFFFAOYSA-N 0 0 315.308 2.199 50 0 DEAARN Cc1ccc(C)c([C@H]2CN(CCS(C)(=O)=O)[C@@H](C)CO2)c1 ZINC000110641200 194344792 /nfs/dbraw/zinc/34/47/92/194344792.db2.gz SNXWNYSIBZARQU-GOEBONIOSA-N 0 0 311.447 2.110 50 0 DEAARN Cc1nc(-c2cc(C(=O)NCCCC(N)=O)cs2)cs1 ZINC000055251902 183974208 /nfs/dbraw/zinc/97/42/08/183974208.db2.gz CXSLFJWKGKSERQ-UHFFFAOYSA-N 0 0 309.416 2.175 50 0 DEAARN CC(C)CN(C/C=C/c1ccccc1)C(=O)CNC(=O)N(C)C ZINC000055282725 183976782 /nfs/dbraw/zinc/97/67/82/183976782.db2.gz VMJQUPGOPCAJAD-DHZHZOJOSA-N 0 0 317.433 2.456 50 0 DEAARN CCONC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000056706390 184017415 /nfs/dbraw/zinc/01/74/15/184017415.db2.gz MTJKRPFNZVBPJL-HJWRWDBZSA-N 0 0 302.374 2.006 50 0 DEAARN C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCc2c1cccc2F ZINC000056323470 184010433 /nfs/dbraw/zinc/01/04/33/184010433.db2.gz CTXOFNKHUZQNLK-ZANVPECISA-N 0 0 320.393 2.239 50 0 DEAARN Cc1nccn1-c1ncccc1NC(=O)COC1CCCC1 ZINC000057223400 184030050 /nfs/dbraw/zinc/03/00/50/184030050.db2.gz SVYNCIZMBHVCFE-UHFFFAOYSA-N 0 0 300.362 2.473 50 0 DEAARN O=C(NC[C@H](O)c1ccsc1)c1cc(=O)c2ccccc2o1 ZINC000056906289 184021112 /nfs/dbraw/zinc/02/11/12/184021112.db2.gz CYRGJTLRULRAPE-ZDUSSCGKSA-N 0 0 315.350 2.318 50 0 DEAARN O=S(=O)(NC[C@@H](O)c1ccsc1)c1ccccc1Cl ZINC000056906349 184021117 /nfs/dbraw/zinc/02/11/17/184021117.db2.gz NZNXTDKJTUKAGZ-LLVKDONJSA-N 0 0 317.819 2.413 50 0 DEAARN CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1 ZINC000057355487 184035643 /nfs/dbraw/zinc/03/56/43/184035643.db2.gz FPZBUAIVZREQME-WMZOPIPTSA-N 0 0 323.396 2.308 50 0 DEAARN C[C@@H](CC(=O)N1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000057427318 184038211 /nfs/dbraw/zinc/03/82/11/184038211.db2.gz HPXOQCZSZFCFGI-JTQLQIEISA-N 0 0 314.307 2.157 50 0 DEAARN COC(=O)C(C)(C)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000057468554 184039478 /nfs/dbraw/zinc/03/94/78/184039478.db2.gz AEHDHCVBVJEIAJ-UHFFFAOYSA-N 0 0 321.764 2.207 50 0 DEAARN COc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)c(C)c1 ZINC000057472129 184039569 /nfs/dbraw/zinc/03/95/69/184039569.db2.gz KDIKNHCFZZPHCY-UHFFFAOYSA-N 0 0 304.302 2.096 50 0 DEAARN CC[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)[C@H](O)C(F)(F)F ZINC000273280698 210653517 /nfs/dbraw/zinc/65/35/17/210653517.db2.gz STWWXVWUYCDZBB-QWRGUYRKSA-N 0 0 321.343 2.378 50 0 DEAARN CN(C)C(=O)C[C@H](NC(=O)Nc1ccncc1)c1ccccc1 ZINC000058008361 184066437 /nfs/dbraw/zinc/06/64/37/184066437.db2.gz OYZOOYTXBBCBMF-HNNXBMFYSA-N 0 0 312.373 2.423 50 0 DEAARN CCCOC(=O)c1ccc(NC(=O)N2CCC(CO)CC2)cc1 ZINC000058007459 184066820 /nfs/dbraw/zinc/06/68/20/184066820.db2.gz STRLQHQNMWBMBI-UHFFFAOYSA-N 0 0 320.389 2.490 50 0 DEAARN CCn1cc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)cn1 ZINC000058016682 184067790 /nfs/dbraw/zinc/06/77/90/184067790.db2.gz COPXMRWXMOMRJK-UHFFFAOYSA-N 0 0 321.425 2.015 50 0 DEAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1OC ZINC000058161429 184082926 /nfs/dbraw/zinc/08/29/26/184082926.db2.gz YMXKYVOXYVRLBM-CHWSQXEVSA-N 0 0 301.346 2.180 50 0 DEAARN Cn1cc(C(=O)C(=O)NCCSc2ccc(Cl)cc2)cn1 ZINC000058166626 184083053 /nfs/dbraw/zinc/08/30/53/184083053.db2.gz PHPSOVFSSYLELO-UHFFFAOYSA-N 0 0 323.805 2.165 50 0 DEAARN Cc1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000058173733 184084325 /nfs/dbraw/zinc/08/43/25/184084325.db2.gz BRICFNBQSXLSJG-MRXNPFEDSA-N 0 0 303.406 2.324 50 0 DEAARN Cc1cc(C(=O)NCCC(=O)Nc2cccc(C)n2)c(C)o1 ZINC000058172129 184084448 /nfs/dbraw/zinc/08/44/48/184084448.db2.gz JQNODBLLVQWEBI-UHFFFAOYSA-N 0 0 301.346 2.358 50 0 DEAARN O=C(c1ccc2cc[nH]c2c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000058218345 184089595 /nfs/dbraw/zinc/08/95/95/184089595.db2.gz DHIZVTJTXDSLOX-INIZCTEOSA-N 0 0 313.401 2.105 50 0 DEAARN CCN(C(=O)CNC(=O)NC1CC1)[C@H](C)c1ccc(F)cc1 ZINC000058227746 184091100 /nfs/dbraw/zinc/09/11/00/184091100.db2.gz DTJDATYHVGGUJZ-LLVKDONJSA-N 0 0 307.369 2.197 50 0 DEAARN C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N(C)C ZINC000058229061 184091361 /nfs/dbraw/zinc/09/13/61/184091361.db2.gz NIEFUFWXJRRKGH-VIFPVBQESA-N 0 0 321.764 2.202 50 0 DEAARN C/C(=C/C(=O)NCCCN1CCCC1=O)c1ccc(F)cc1 ZINC000058344671 184107280 /nfs/dbraw/zinc/10/72/80/184107280.db2.gz UVUBKWQJRLOZPC-SEYXRHQNSA-N 0 0 304.365 2.358 50 0 DEAARN CN(C)c1ccc(C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000058357982 184108784 /nfs/dbraw/zinc/10/87/84/184108784.db2.gz DTFGKNQDIROQGB-UHFFFAOYSA-N 0 0 317.433 2.275 50 0 DEAARN Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)OCC1CC1 ZINC000058379251 184110854 /nfs/dbraw/zinc/11/08/54/184110854.db2.gz VKEGYOIMVSXXOJ-LLVKDONJSA-N 0 0 300.362 2.329 50 0 DEAARN Cc1cccc(-c2noc(CN3CCC(n4cncn4)CC3)n2)c1 ZINC000058244614 184093977 /nfs/dbraw/zinc/09/39/77/184093977.db2.gz XPEKENLTXQMHCO-UHFFFAOYSA-N 0 0 324.388 2.474 50 0 DEAARN CSCC[C@@H](NC(N)=O)C(=O)Nc1cc(Cl)ccc1C ZINC000058265441 184095799 /nfs/dbraw/zinc/09/57/99/184095799.db2.gz OQHXUBVUEQORPU-SNVBAGLBSA-N 0 0 315.826 2.377 50 0 DEAARN CSCC[C@H](NC(N)=O)C(=O)Nc1cc(Cl)ccc1C ZINC000058265442 184095985 /nfs/dbraw/zinc/09/59/85/184095985.db2.gz OQHXUBVUEQORPU-JTQLQIEISA-N 0 0 315.826 2.377 50 0 DEAARN CC(C)C[C@@H](NC(=O)CNC(=O)NC1CC1)c1cccs1 ZINC000058268360 184098054 /nfs/dbraw/zinc/09/80/54/184098054.db2.gz YMJOBYPSAUUBMU-GFCCVEGCSA-N 0 0 309.435 2.413 50 0 DEAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1cccc(O)c1 ZINC000058278964 184098865 /nfs/dbraw/zinc/09/88/65/184098865.db2.gz INSMMXNDUPPDEH-PXAZEXFGSA-N 0 0 313.353 2.279 50 0 DEAARN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000058298767 184102452 /nfs/dbraw/zinc/10/24/52/184102452.db2.gz YLOVEDMFJREJQW-DDHJSBNISA-N 0 0 303.406 2.145 50 0 DEAARN COc1ccc(C(=O)[C@@H](C)Sc2n[nH]c(C)n2)cc1OC ZINC000058304743 184102795 /nfs/dbraw/zinc/10/27/95/184102795.db2.gz ZIDHRTZJCVXIFM-MRVPVSSYSA-N 0 0 307.375 2.494 50 0 DEAARN O=C(NCc1cn2c(n1)CCCC2)c1cnc2ccccc2n1 ZINC000058304884 184102989 /nfs/dbraw/zinc/10/29/89/184102989.db2.gz AMUCCYKRVVJISO-UHFFFAOYSA-N 0 0 307.357 2.093 50 0 DEAARN NC(=O)CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000058309103 184103553 /nfs/dbraw/zinc/10/35/53/184103553.db2.gz VOBZFDRVCVNTAD-LBPRGKRZSA-N 0 0 323.824 2.256 50 0 DEAARN CCN(C)c1ccc(C(=O)NC2CCN(C(=O)OC)CC2)cc1 ZINC000058313931 184104206 /nfs/dbraw/zinc/10/42/06/184104206.db2.gz SGTCYCXHEKOHTP-UHFFFAOYSA-N 0 0 319.405 2.103 50 0 DEAARN O=c1c2sccc2ncn1Cc1nnc(Cc2ccccc2)o1 ZINC000058331420 184106413 /nfs/dbraw/zinc/10/64/13/184106413.db2.gz MMUFCULHVRTXQV-UHFFFAOYSA-N 0 0 324.365 2.480 50 0 DEAARN COc1ccc(CNCc2c(C(C)C)nn(C)c2N(C)C)cn1 ZINC000058392552 184112086 /nfs/dbraw/zinc/11/20/86/184112086.db2.gz 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CC(C)c1noc([C@@H]2CCCCN2CCN2CCCC2=O)n1 ZINC000244601823 424885984 /nfs/dbraw/zinc/88/59/84/424885984.db2.gz DSFQKCPFCFOXMK-ZDUSSCGKSA-N 0 0 306.410 2.342 50 0 DEAARN Nc1ncc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(C(F)(F)F)n1 ZINC000244564069 424886213 /nfs/dbraw/zinc/88/62/13/424886213.db2.gz CMAMQKPPMSXWNS-VGMNWLOBSA-N 0 0 312.295 2.020 50 0 DEAARN O=C(NC[C@@H]1Cn2cccc2CN1Cc1ccccc1)C1CC1 ZINC000257195471 424888862 /nfs/dbraw/zinc/88/88/62/424888862.db2.gz WEFUSYYDQVYMLS-GOSISDBHSA-N 0 0 309.413 2.399 50 0 DEAARN CN(C)c1nc(N)cc(-c2cc(OC(F)(F)F)ccc2O)n1 ZINC000426477293 425001769 /nfs/dbraw/zinc/00/17/69/425001769.db2.gz WWYFSHFQZYTNQY-UHFFFAOYSA-N 0 0 314.267 2.396 50 0 DEAARN Fc1ccc(OCCNc2cc([C@H]3CCOC3)ncn2)cc1 ZINC000426526275 425001798 /nfs/dbraw/zinc/00/17/98/425001798.db2.gz OMASXYUHOSIXPL-LBPRGKRZSA-N 0 0 303.337 2.611 50 0 DEAARN c1cnn(-c2cccc(CNc3cc([C@@H]4CCOC4)ncn3)c2)c1 ZINC000426515476 425001805 /nfs/dbraw/zinc/00/18/05/425001805.db2.gz DHPFJIRDCNFNPS-OAHLLOKOSA-N 0 0 321.384 2.778 50 0 DEAARN Cc1ccc2oc(N3CC[C@H](c4cc(=O)[nH]c(N)n4)C3)nc2c1 ZINC000583651588 424985880 /nfs/dbraw/zinc/98/58/80/424985880.db2.gz PCKFPTAZLGYSBX-JTQLQIEISA-N 0 0 311.345 2.208 50 0 DEAARN COc1ccc2[nH]nc(NC(=O)c3cnc4ccccc4n3)c2c1 ZINC000344698502 424990135 /nfs/dbraw/zinc/99/01/35/424990135.db2.gz HVOVIMIZZAXYHS-UHFFFAOYSA-N 0 0 319.324 2.767 50 0 DEAARN Nc1nc(-c2ccc(C(=O)N3CCCCCC3)cc2)cc(=O)[nH]1 ZINC000426529302 425001494 /nfs/dbraw/zinc/00/14/94/425001494.db2.gz MRETWGLTYVCTFL-UHFFFAOYSA-N 0 0 312.373 2.448 50 0 DEAARN C[C@H]1CC[C@@](C)(CNS(=O)(=O)N2CCCOCC2)C1(C)C ZINC000657081870 425255868 /nfs/dbraw/zinc/25/58/68/425255868.db2.gz HJCUQTHQUKBXRL-ZFWWWQNUSA-N 0 0 318.483 2.006 50 0 DEAARN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccnnc1 ZINC000270586250 268664873 /nfs/dbraw/zinc/66/48/73/268664873.db2.gz SAHLEINDWPZIFJ-UHFFFAOYSA-N 0 0 310.357 2.273 50 0 DEAARN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CO[C@@H](C)C2)[C@@H]1Oc1ccccc1 ZINC000333366961 268933723 /nfs/dbraw/zinc/93/37/23/268933723.db2.gz YGJAKMMVIHVMOI-AYIQCDPPSA-N 0 0 319.401 2.153 50 0 DEAARN CC(C)=CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000495981379 269190221 /nfs/dbraw/zinc/19/02/21/269190221.db2.gz SRNAQROOVHTPAQ-ZDUSSCGKSA-N 0 0 312.410 2.095 50 0 DEAARN COc1ccc(OC)c2c1CN(c1cccc(C)n1)C[C@@H]2O ZINC000097163236 274116077 /nfs/dbraw/zinc/11/60/77/274116077.db2.gz HJSRNAXMAVEVCK-ZDUSSCGKSA-N 0 0 300.358 2.461 50 0 DEAARN COc1ccc([C@H]2CC(=O)c3cn4nc(C)nc4nc3C2)cc1 ZINC000020671544 274118002 /nfs/dbraw/zinc/11/80/02/274118002.db2.gz SOIDPQSVSMXJCS-GFCCVEGCSA-N 0 0 308.341 2.354 50 0 DEAARN C[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000089938427 274332514 /nfs/dbraw/zinc/33/25/14/274332514.db2.gz PHJDJLKNHQKYLK-LLVKDONJSA-N 0 0 324.808 2.277 50 0 DEAARN CC(=O)Nc1nc(CN[C@@H](C)[C@H](C)n2cc(C)cn2)cs1 ZINC000075133940 275497890 /nfs/dbraw/zinc/49/78/90/275497890.db2.gz ZWDXMZJETYEUTL-QWRGUYRKSA-N 0 0 307.423 2.346 50 0 DEAARN CCn1c(=O)cc(C(=O)OC)s/c1=N\c1ccc(F)cc1 ZINC000001441844 276709017 /nfs/dbraw/zinc/70/90/17/276709017.db2.gz VBZIWBPFVMCSGN-PEZBUJJGSA-N 0 0 308.334 2.088 50 0 DEAARN COC(=O)[C@@](O)(c1ccc(O)c2ccccc21)C(F)(F)F ZINC000003622837 277113072 /nfs/dbraw/zinc/11/30/72/277113072.db2.gz FOFUXVOTTMXRPK-ZDUSSCGKSA-N 0 0 300.232 2.468 50 0 DEAARN COc1cc([C@H]2SC=C3Sc4nncn4N32)ccc1O ZINC000020717044 277389199 /nfs/dbraw/zinc/38/91/99/277389199.db2.gz ZWYVTEWEGFCYRO-LLVKDONJSA-N 0 0 306.372 2.281 50 0 DEAARN COc1cc2[nH]c3c(nc4n(c3=O)CCS4)c2cc1OC ZINC000004779390 277390055 /nfs/dbraw/zinc/39/00/55/277390055.db2.gz VLNVVDPSGLOCTG-UHFFFAOYSA-N 0 0 303.343 2.001 50 0 DEAARN COc1ccc(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)nn1 ZINC000095399284 277874057 /nfs/dbraw/zinc/87/40/57/277874057.db2.gz RVVRGGTWMWUOOK-JTQLQIEISA-N 0 0 301.321 2.384 50 0 DEAARN CC(C)[C@H]1CN(C(=O)Cn2ccccc2=O)c2ccccc2N1 ZINC000075092701 277952549 /nfs/dbraw/zinc/95/25/49/277952549.db2.gz VOEOJWMNISOKDL-OAHLLOKOSA-N 0 0 311.385 2.332 50 0 DEAARN CC(C)c1nc2sc3c(ncn(N)c3=O)c2c2c1CCC2 ZINC000000522081 278078622 /nfs/dbraw/zinc/07/86/22/278078622.db2.gz OISRLJVBNSIZOL-UHFFFAOYSA-N 0 0 300.387 2.332 50 0 DEAARN CC1(C)CC(=O)c2cnc3c(C(=O)N4CCCC4)cnn3c2C1 ZINC000064987415 278187393 /nfs/dbraw/zinc/18/73/93/278187393.db2.gz HPLRLGALSDVQMB-UHFFFAOYSA-N 0 0 312.373 2.120 50 0 DEAARN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000230113981 278251794 /nfs/dbraw/zinc/25/17/94/278251794.db2.gz BSRWZHLYQMQZMB-HZPDHXFCSA-N 0 0 323.414 2.221 50 0 DEAARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccccn3)C2)n1 ZINC000079492406 278681468 /nfs/dbraw/zinc/68/14/68/278681468.db2.gz ZGGPSIYXQYXXCY-CQSZACIVSA-N 0 0 311.389 2.344 50 0 DEAARN CC(C)CC[C@H]1CCCCN1C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000096474208 278798702 /nfs/dbraw/zinc/79/87/02/278798702.db2.gz NBWGXCNMSVTCEG-UONOGXRCSA-N 0 0 318.483 2.420 50 0 DEAARN Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCCS1 ZINC000125121750 279172322 /nfs/dbraw/zinc/17/23/22/279172322.db2.gz FKIAGIZYYKFCIH-UONOGXRCSA-N 0 0 308.451 2.261 50 0 DEAARN C[C@@H]1CN(CC(=O)N[C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000012620875 288141984 /nfs/dbraw/zinc/14/19/84/288141984.db2.gz XJDNEVGPHXOOIN-JKIFEVAISA-N 0 0 302.418 2.289 50 0 DEAARN O=C(Nc1cn[nH]c1)c1cc(Br)c2c(c1)OCCO2 ZINC000058322872 280047735 /nfs/dbraw/zinc/04/77/35/280047735.db2.gz HKEAYFNWZVACPJ-UHFFFAOYSA-N 0 0 324.134 2.196 50 0 DEAARN O=C([C@H]1COCCO1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000054030200 280144830 /nfs/dbraw/zinc/14/48/30/280144830.db2.gz CIDVQYZFOQOMTL-MRXNPFEDSA-N 0 0 305.349 2.247 50 0 DEAARN C[C@]1(C(=O)Nc2ccc(F)cc2F)Oc2cccnc2NC1=O ZINC000096101990 280150018 /nfs/dbraw/zinc/15/00/18/280150018.db2.gz FOBABQBCNOBFBS-OAHLLOKOSA-N 0 0 319.267 2.088 50 0 DEAARN O=C1CN(c2ncnc3cc(F)ccc32)CCN1C1CCCC1 ZINC000091848825 280265107 /nfs/dbraw/zinc/26/51/07/280265107.db2.gz DLIQLCDPBROIQY-UHFFFAOYSA-N 0 0 314.364 2.360 50 0 DEAARN CC[C@H]1CN([C@@H](C(=O)NC(=O)NC)c2ccccc2)CCS1 ZINC000229351931 288297588 /nfs/dbraw/zinc/29/75/88/288297588.db2.gz GEJGQPBEXHGEFP-UONOGXRCSA-N 0 0 321.446 2.011 50 0 DEAARN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc[nH]c(=O)c1 ZINC000089949283 281159804 /nfs/dbraw/zinc/15/98/04/281159804.db2.gz SWIYCDXRSMYOBP-HNNXBMFYSA-N 0 0 311.385 2.246 50 0 DEAARN CCc1ccnc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000330671645 281465887 /nfs/dbraw/zinc/46/58/87/281465887.db2.gz WPDQKBUGKGJQJT-ZDUSSCGKSA-N 0 0 302.296 2.173 50 0 DEAARN Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccnc1 ZINC000000064687 282015532 /nfs/dbraw/zinc/01/55/32/282015532.db2.gz RXNRPBZWJXAMFG-UHFFFAOYSA-N 0 0 303.325 2.275 50 0 DEAARN C[C@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(F)cc1F ZINC000015366372 290185555 /nfs/dbraw/zinc/18/55/55/290185555.db2.gz SOIUMWKEAHIQAX-VIFPVBQESA-N 0 0 320.295 2.470 50 0 DEAARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H]1c1ccsc1 ZINC000248099691 290280707 /nfs/dbraw/zinc/28/07/07/290280707.db2.gz HDALTMDMFYXEBK-PWSUYJOCSA-N 0 0 318.450 2.479 50 0 DEAARN Cc1nc(C)c(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)s1 ZINC000043485689 293222224 /nfs/dbraw/zinc/22/22/24/293222224.db2.gz CZKFAUMBNYCIEH-GFCCVEGCSA-N 0 0 303.387 2.256 50 0 DEAARN Cc1nc2[nH]c(NC(=O)C3CC3)nn2c(=O)c1Cc1ccccc1 ZINC000018220023 293556802 /nfs/dbraw/zinc/55/68/02/293556802.db2.gz PBIWIYRIEBLILM-UHFFFAOYSA-N 0 0 323.356 2.078 50 0 DEAARN Cc1nc2sccc2c(N2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000095364520 293562283 /nfs/dbraw/zinc/56/22/83/293562283.db2.gz XWEPSEAMWASWDX-INIZCTEOSA-N 0 0 316.430 2.448 50 0 DEAARN Cn1cc(CNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cn1 ZINC000002804161 294240454 /nfs/dbraw/zinc/24/04/54/294240454.db2.gz JYNRWFSVCRZTMP-LBPRGKRZSA-N 0 0 316.405 2.489 50 0 DEAARN Cn1ncc([C@H]2CC(=O)NCc3nc4ccccn4c32)c1C1CC1 ZINC000065490170 294543376 /nfs/dbraw/zinc/54/33/76/294543376.db2.gz AOBXEEJYINPZRU-GFCCVEGCSA-N 0 0 321.384 2.097 50 0 DEAARN COc1cccc2cc(C(N)=O)/c(=N\c3ccc(O)cc3)oc21 ZINC000016695936 295343840 /nfs/dbraw/zinc/34/38/40/295343840.db2.gz MOXBZNRZFCFZAC-HTXNQAPBSA-N 0 0 310.309 2.478 50 0 DEAARN COc1ccccc1NC(=O)N1CCCC[C@H]1C1OCCO1 ZINC000069310328 295374456 /nfs/dbraw/zinc/37/44/56/295374456.db2.gz MUKLZMWYOUSIBO-ZDUSSCGKSA-N 0 0 306.362 2.455 50 0 DEAARN O=C(c1ccccc1-n1ccnn1)N1CCSc2ccncc21 ZINC000191963836 304564001 /nfs/dbraw/zinc/56/40/01/304564001.db2.gz OPPUTGVLFPXTNL-UHFFFAOYSA-N 0 0 323.381 2.415 50 0 DEAARN C[C@H](C(=O)N1CCCCc2c(Cl)cccc21)S(C)(=O)=O ZINC000253426718 298025333 /nfs/dbraw/zinc/02/53/33/298025333.db2.gz AEBHJLWOZSCUDO-SNVBAGLBSA-N 0 0 315.822 2.442 50 0 DEAARN C[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1cccnc1 ZINC000081075390 300227213 /nfs/dbraw/zinc/22/72/13/300227213.db2.gz CWNYDNXCKHGIEO-ZDUSSCGKSA-N 0 0 317.414 2.111 50 0 DEAARN C[C@]1(C(=O)NC2CCCCCC2)Oc2cccnc2NC1=O ZINC000096101982 300761213 /nfs/dbraw/zinc/76/12/13/300761213.db2.gz BEMVIJRKDJXPMI-MRXNPFEDSA-N 0 0 303.362 2.010 50 0 DEAARN Cc1cc(C)c(C(=O)N2CCCC[C@H]2c2ccn(C)n2)c(=O)[nH]1 ZINC000091548530 301163940 /nfs/dbraw/zinc/16/39/40/301163940.db2.gz INRJXSZUEWDLNS-AWEZNQCLSA-N 0 0 314.389 2.093 50 0 DEAARN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)O)sc1C ZINC000108373060 301381275 /nfs/dbraw/zinc/38/12/75/301381275.db2.gz OOWJLJMRSKGJBF-CMPLNLGQSA-N 0 0 303.449 2.289 50 0 DEAARN Cc1ccn2c(c1)nc(O)c(C(=O)N[C@@H]1CCCC[C@H]1C)c2=O ZINC000016689964 302259204 /nfs/dbraw/zinc/25/92/04/302259204.db2.gz BJGGPNNGHSJMMY-VXGBXAGGSA-N 0 0 315.373 2.017 50 0 DEAARN Cc1cc[nH+]c([N-][C@@]2(C(F)(F)F)N=C3SCCN3C2=O)c1 ZINC000019857588 302278638 /nfs/dbraw/zinc/27/86/38/302278638.db2.gz NJJAIWALWICWIB-LLVKDONJSA-N 0 0 316.308 2.006 50 0 DEAARN Cc1nc(NC(=O)c2nn(C)c(=O)c3ccccc32)sc1C ZINC000007685638 302610480 /nfs/dbraw/zinc/61/04/80/302610480.db2.gz JMXKLVCAWUHWAY-UHFFFAOYSA-N 0 0 314.370 2.259 50 0 DEAARN Cc1nc2ccccc2nc1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000012372673 302667510 /nfs/dbraw/zinc/66/75/10/302667510.db2.gz LDEZZCNUXWLFJH-CHWSQXEVSA-N 0 0 307.353 2.389 50 0 DEAARN FC(F)(F)Cn1nnnc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000190931281 303116108 /nfs/dbraw/zinc/11/61/08/303116108.db2.gz QTDQTXZHVSBFEZ-NXEZZACHSA-N 0 0 321.372 2.095 50 0 DEAARN 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181234340 /nfs/dbraw/zinc/23/43/40/181234340.db2.gz JBWSIVXKZAZPKV-UHFFFAOYSA-N 0 0 303.362 2.365 50 0 DEAARN COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000005421970 181242065 /nfs/dbraw/zinc/24/20/65/181242065.db2.gz MXBRUXRRPQEYGY-UHFFFAOYSA-N 0 0 324.380 2.293 50 0 DEAARN COc1cccc(CNC(=O)COC(=O)c2ccc(C)cc2)c1 ZINC000005456241 181245509 /nfs/dbraw/zinc/24/55/09/181245509.db2.gz IQXLNTAXTOGYOK-UHFFFAOYSA-N 0 0 313.353 2.477 50 0 DEAARN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000188948020 356215168 /nfs/dbraw/zinc/21/51/68/356215168.db2.gz CCQDBJSIMCDNDG-HZSPNIEDSA-N 0 0 310.463 2.178 50 0 DEAARN O=c1ccc(F)cn1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000190729116 356217262 /nfs/dbraw/zinc/21/72/62/356217262.db2.gz HZEXEZDBDCXNGS-UHFFFAOYSA-N 0 0 317.288 2.032 50 0 DEAARN Cc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@H]1CCO[C@@H]1C)C2 ZINC000190501609 356217272 /nfs/dbraw/zinc/21/72/72/356217272.db2.gz PVUYOIXHLSDUDI-CJNGLKHVSA-N 0 0 309.431 2.169 50 0 DEAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccncc1 ZINC000005578911 181259633 /nfs/dbraw/zinc/25/96/33/181259633.db2.gz NSIKCHBGGSWPFW-UHFFFAOYSA-N 0 0 316.313 2.138 50 0 DEAARN O[C@@H](Cn1nnnc1Cc1ccccn1)c1ccccc1Cl ZINC000193436537 356225458 /nfs/dbraw/zinc/22/54/58/356225458.db2.gz YNNCKLUSCWRHGD-AWEZNQCLSA-N 0 0 315.764 2.046 50 0 DEAARN CC[C@H](CNC(=O)C1(O)CCOCC1)c1ccc(Cl)cc1 ZINC000195567575 356258156 /nfs/dbraw/zinc/25/81/56/356258156.db2.gz JHYWQFYZKRGGTK-GFCCVEGCSA-N 0 0 311.809 2.491 50 0 DEAARN CCOC(=O)c1ccc(-c2csc(CC(=O)NC)n2)cc1 ZINC000195573680 356258979 /nfs/dbraw/zinc/25/89/79/356258979.db2.gz ZXEIKZSPCFKLBI-UHFFFAOYSA-N 0 0 304.371 2.275 50 0 DEAARN C/C(=C\C(=O)N1CCOC[C@@H]1c1ncon1)c1cccc(F)c1 ZINC000222060969 356275011 /nfs/dbraw/zinc/27/50/11/356275011.db2.gz MCMAPCPOWJFECX-DPQIITEBSA-N 0 0 317.320 2.212 50 0 DEAARN Cc1nc([C@@H]2COCCN2C(=O)/C=C\c2ccc(F)cc2)no1 ZINC000222228335 356275020 /nfs/dbraw/zinc/27/50/20/356275020.db2.gz GZRQVDDSHOEYMB-ZBKLQPJUSA-N 0 0 317.320 2.130 50 0 DEAARN Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2O)cc1Br ZINC000225482067 356276424 /nfs/dbraw/zinc/27/64/24/356276424.db2.gz WWNKATAWQFPMNA-QWHCGFSZSA-N 0 0 312.207 2.330 50 0 DEAARN CC[C@H](O)Cn1nnc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000225665216 356277304 /nfs/dbraw/zinc/27/73/04/356277304.db2.gz CLQGUIYTJQJSSA-NSHDSACASA-N 0 0 300.284 2.054 50 0 DEAARN O=[S@@](C[C@@H]1CCCO1)c1cc2c(cc1Cl)OCCO2 ZINC000194557935 356241377 /nfs/dbraw/zinc/24/13/77/356241377.db2.gz WQPUSQLJMQLZGN-UGZDLDLSSA-N 0 0 302.779 2.398 50 0 DEAARN CC1(C)[C@H](NC(=O)NCCCOCc2ccco2)[C@H]2CCO[C@H]21 ZINC000230096083 356282769 /nfs/dbraw/zinc/28/27/69/356282769.db2.gz DXWXUUNQMUMNBY-RBSFLKMASA-N 0 0 322.405 2.299 50 0 DEAARN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccccc1 ZINC000238256039 356303381 /nfs/dbraw/zinc/30/33/81/356303381.db2.gz VPQRYGKPSNYLRI-CHWSQXEVSA-N 0 0 309.362 2.176 50 0 DEAARN Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCOCC[C@H]2C)c1 ZINC000253369388 356336396 /nfs/dbraw/zinc/33/63/96/356336396.db2.gz BZIMWUQQHRLHMU-ZIAGYGMSSA-N 0 0 313.825 2.499 50 0 DEAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NN1CCOCC1 ZINC000005670461 181270142 /nfs/dbraw/zinc/27/01/42/181270142.db2.gz CYVNWLKGQMAAOV-DUXPYHPUSA-N 0 0 301.173 2.370 50 0 DEAARN COc1ccc(N2C(=O)C[C@H](SC3=NCCS3)C2=O)cc1 ZINC000005720503 181276271 /nfs/dbraw/zinc/27/62/71/181276271.db2.gz FFFVQQOREJEQBL-NSHDSACASA-N 0 0 322.411 2.163 50 0 DEAARN C[C@H]1CN(C(=O)Cc2cnn(C)c2)c2cc(Cl)ccc2O1 ZINC000081336374 192252750 /nfs/dbraw/zinc/25/27/50/192252750.db2.gz TZFUIBBFGCNIGK-JTQLQIEISA-N 0 0 305.765 2.430 50 0 DEAARN CC[C@@H](C)[C@@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1 ZINC000081672860 192311123 /nfs/dbraw/zinc/31/11/23/192311123.db2.gz FZDLMVWYPUAGCS-VXGBXAGGSA-N 0 0 305.426 2.333 50 0 DEAARN Cc1nn(-c2ncc(NC(=O)c3cccnc3)cn2)c(C)c1C ZINC000085470408 192511381 /nfs/dbraw/zinc/51/13/81/192511381.db2.gz WIHQQLXPHGHKDQ-UHFFFAOYSA-N 0 0 308.345 2.235 50 0 DEAARN O=C(NCCc1ccco1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000585099391 540256258 /nfs/dbraw/zinc/25/62/58/540256258.db2.gz CXBUHHJAABCBEJ-CABCVRRESA-N 0 0 304.390 2.120 50 0 DEAARN CC(C)c1nnc(Cn2c(=O)ccn2-c2ccccn2)s1 ZINC000585098322 540256840 /nfs/dbraw/zinc/25/68/40/540256840.db2.gz OQGNXGGKNSQKII-UHFFFAOYSA-N 0 0 301.375 2.057 50 0 DEAARN CO[C@H](CN1C(=O)N[C@@](C)(c2cccnc2)C1=O)C1CCCC1 ZINC000585098113 540256683 /nfs/dbraw/zinc/25/66/83/540256683.db2.gz KXKZUAVOFYOWBA-PBHICJAKSA-N 0 0 317.389 2.054 50 0 DEAARN CSCc1nc(CCNC(=O)Cc2ccccn2)cs1 ZINC000584884763 357325462 /nfs/dbraw/zinc/32/54/62/357325462.db2.gz NUWHCLJWQWXOEB-UHFFFAOYSA-N 0 0 307.444 2.303 50 0 DEAARN C[C@@H](C(=O)N(C)Cc1cc2ccccc2s1)n1cnnn1 ZINC000584891196 357326885 /nfs/dbraw/zinc/32/68/85/357326885.db2.gz KJQQGAMSGRAYPD-JTQLQIEISA-N 0 0 301.375 2.107 50 0 DEAARN Cc1nn(CCNC(=O)N(C)Cc2nccs2)c(C)c1C ZINC000584893167 357328287 /nfs/dbraw/zinc/32/82/87/357328287.db2.gz VMNKNLWSSJEDTO-UHFFFAOYSA-N 0 0 307.423 2.106 50 0 DEAARN COc1ccc(CN(C)C(=O)[C@]2(C)CC(C)=NO2)cc1OC ZINC000584897782 357329729 /nfs/dbraw/zinc/32/97/29/357329729.db2.gz 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ZINC000089694529 192844672 /nfs/dbraw/zinc/84/46/72/192844672.db2.gz ZJKXQNGYWVVSQH-UHFFFAOYSA-N 0 0 312.435 2.442 50 0 DEAARN CC(C)[C@@H](NC(=O)N(C)CC1CCC1)c1nnc2n1CCC2 ZINC000089801891 192872945 /nfs/dbraw/zinc/87/29/45/192872945.db2.gz HKIUTIJEULSYPK-CQSZACIVSA-N 0 0 305.426 2.363 50 0 DEAARN CCS(=O)(=O)c1ccccc1NC[C@@](C)(O)C(F)(F)F ZINC000276279748 212772669 /nfs/dbraw/zinc/77/26/69/212772669.db2.gz IBVDESYXWVNSTL-LLVKDONJSA-N 0 0 311.325 2.205 50 0 DEAARN Cn1cc([C@@H](NCc2csnn2)c2ccc(F)cc2)cn1 ZINC000187526881 200123827 /nfs/dbraw/zinc/12/38/27/200123827.db2.gz XERCCFARAGUJOJ-AWEZNQCLSA-N 0 0 303.366 2.290 50 0 DEAARN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc2cc(C)c(C)cc2o1 ZINC000187570619 200129209 /nfs/dbraw/zinc/12/92/09/200129209.db2.gz PWRCFNAAVSAMCF-UKRRQHHQSA-N 0 0 303.358 2.158 50 0 DEAARN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cc(C)no2)c1 ZINC000188358691 200233314 /nfs/dbraw/zinc/23/33/14/200233314.db2.gz SXDKNWMZRLPBIX-DZGCQCFKSA-N 0 0 316.357 2.420 50 0 DEAARN COC(=O)[C@H]1CCn2c(nnc2-c2cccc(OC(F)F)c2)C1 ZINC000601045580 359904951 /nfs/dbraw/zinc/90/49/51/359904951.db2.gz WYMFPDUIKPREIK-JTQLQIEISA-N 0 0 323.299 2.282 50 0 DEAARN CNC(=O)CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000188905847 200319817 /nfs/dbraw/zinc/31/98/17/200319817.db2.gz MGYQLNXEZHNXSY-UHFFFAOYSA-N 0 0 316.323 2.136 50 0 DEAARN O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1CC[C@H]1CCCO1 ZINC000189037189 200339336 /nfs/dbraw/zinc/33/93/36/200339336.db2.gz DWQBNNMIHHVKHY-DZGCQCFKSA-N 0 0 305.349 2.312 50 0 DEAARN CN(CCCOCc1ccccc1)C(=O)Nc1ccn(C)n1 ZINC000281287856 216213689 /nfs/dbraw/zinc/21/36/89/216213689.db2.gz HAFOUPVVKGHIRV-UHFFFAOYSA-N 0 0 302.378 2.491 50 0 DEAARN O=C(CSc1nnc2n1CCCCC2)NCc1ccco1 ZINC000006098122 181312597 /nfs/dbraw/zinc/31/25/97/181312597.db2.gz HWLJBPZHDIIBGD-UHFFFAOYSA-N 0 0 306.391 2.006 50 0 DEAARN O=c1[nH]c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2[nH]1 ZINC000006093649 181312011 /nfs/dbraw/zinc/31/20/11/181312011.db2.gz DVQPRGWUSFIHIB-CMDGGOBGSA-N 0 0 315.354 2.269 50 0 DEAARN COc1cccc(N2CCC(N(C)Cc3ncon3)CC2)c1 ZINC000670437320 540933217 /nfs/dbraw/zinc/93/32/17/540933217.db2.gz KXGPLTLQLCRZEG-UHFFFAOYSA-N 0 0 302.378 2.179 50 0 DEAARN CCCn1cnnc1[C@H](C)NC(=O)Cc1sc(C)nc1C ZINC000670452076 540935578 /nfs/dbraw/zinc/93/55/78/540935578.db2.gz OIHTYGLAMPIWJD-JTQLQIEISA-N 0 0 307.423 2.181 50 0 DEAARN Cc1cccc(NC(=O)CCNC(=O)CCCn2cccn2)c1 ZINC000670467171 540937602 /nfs/dbraw/zinc/93/76/02/540937602.db2.gz DAUXHEHEMIYQBZ-UHFFFAOYSA-N 0 0 314.389 2.117 50 0 DEAARN CC(C)c1noc([C@@H]2CCCCN2C(=O)NCc2cc[nH]n2)n1 ZINC000670461413 540937721 /nfs/dbraw/zinc/93/77/21/540937721.db2.gz JWQSWJIAJZIHKW-LBPRGKRZSA-N 0 0 318.381 2.353 50 0 DEAARN Cc1nn(CCO)cc1CN(C)Cc1nc2ccccc2s1 ZINC000670465102 540937733 /nfs/dbraw/zinc/93/77/33/540937733.db2.gz JXOKBTZMSOSRHI-UHFFFAOYSA-N 0 0 316.430 2.426 50 0 DEAARN O=C(NCCCc1nnc2n1CCCCC2)[C@@H]1Cc2ccccc21 ZINC000607907910 361125972 /nfs/dbraw/zinc/12/59/72/361125972.db2.gz WUKVWESJQWLCOP-MRXNPFEDSA-N 0 0 324.428 2.393 50 0 DEAARN 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/nfs/dbraw/zinc/97/35/23/1061973523.db2.gz ZTCIHMMKTSHZEY-OAHLLOKOSA-N 0 0 310.438 2.195 50 0 DEAARN CC(C)(O)CCc1ccc(-c2ncnn2CC(C)(C)O)cc1 ZINC000821175207 1090579886 /nfs/dbraw/zinc/57/98/86/1090579886.db2.gz LMQVDJCXXMOAOD-UHFFFAOYSA-N 0 0 303.406 2.420 50 0 DEAARN CC(C)Cc1cc(CNC(=O)[C@H]2CC(=O)OC23CCCC3)on1 ZINC000821483408 1090601877 /nfs/dbraw/zinc/60/18/77/1090601877.db2.gz VLUVJUBIKRFKGZ-CQSZACIVSA-N 0 0 320.389 2.365 50 0 DEAARN Cc1ccccc1S(=O)(=O)NCc1noc(CC(C)C)n1 ZINC000821487319 1090602318 /nfs/dbraw/zinc/60/23/18/1090602318.db2.gz MRPVXLKYVIPIOO-UHFFFAOYSA-N 0 0 309.391 2.055 50 0 DEAARN CCCCc1nc(C)cc(NCCNc2cc(=O)[nH]cn2)n1 ZINC000822886116 1090650400 /nfs/dbraw/zinc/65/04/00/1090650400.db2.gz SHUAMYUCAHPFRO-UHFFFAOYSA-N 0 0 302.382 2.147 50 0 DEAARN CNC(=O)c1cccc(NC(=O)[C@@H]2CCOC(C)(C)C2)c1C ZINC000823836578 1090703095 /nfs/dbraw/zinc/70/30/95/1090703095.db2.gz PDHSSYSVOYCNJB-GFCCVEGCSA-N 0 0 304.390 2.498 50 0 DEAARN COCc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C[C@@H](C)N2 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CN(Cc1ccc2nonc2c1)C(=O)[C@H]1COc2ccccc2C1 ZINC000095498061 185374467 /nfs/dbraw/zinc/37/44/67/185374467.db2.gz IBQABMDELYZCHO-CQSZACIVSA-N 0 0 323.352 2.433 50 0 DEAARN Cc1cccc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)n1 ZINC000095505366 185375269 /nfs/dbraw/zinc/37/52/69/185375269.db2.gz AISUPPTWCRDTAH-VQIMIIECSA-N 0 0 324.380 2.453 50 0 DEAARN CNC(=O)[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000225531085 290609814 /nfs/dbraw/zinc/60/98/14/290609814.db2.gz NEYBDILVGNAPFZ-DTWKUNHWSA-N 0 0 302.300 2.212 50 0 DEAARN CCc1noc(CN(CC)C(=O)[C@H]2COc3ccccc3C2)n1 ZINC000095509415 185375852 /nfs/dbraw/zinc/37/58/52/185375852.db2.gz AWSNGEVLIJODER-CYBMUJFWSA-N 0 0 315.373 2.232 50 0 DEAARN Nc1ncc(-c2nc(-c3cccnn3)no2)c(-c2ccccc2)n1 ZINC000095509010 185376002 /nfs/dbraw/zinc/37/60/02/185376002.db2.gz CXTFKBZEJHZYLK-UHFFFAOYSA-N 0 0 317.312 2.233 50 0 DEAARN Cc1cc(C)n(CCCNC(=O)[C@@H]2COc3ccccc3C2)n1 ZINC000095510425 185376217 /nfs/dbraw/zinc/37/62/17/185376217.db2.gz UXRAITAEJGSTJW-INIZCTEOSA-N 0 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FXNRSQOBODZTLR-LBPRGKRZSA-N 0 0 317.414 2.358 50 0 DEAARN C[C@@H](O)C[C@H](C)CNC(=O)c1ccc(Br)cc1O ZINC000081796322 192324801 /nfs/dbraw/zinc/32/48/01/192324801.db2.gz QTVKAFRXUWTTJO-DTWKUNHWSA-N 0 0 316.195 2.292 50 0 DEAARN O=C(CN1CCOC1=O)N(Cc1ccccc1)CC(F)(F)F ZINC000095529050 185378352 /nfs/dbraw/zinc/37/83/52/185378352.db2.gz DBNJPMPCTOJMDO-UHFFFAOYSA-N 0 0 316.279 2.030 50 0 DEAARN C[C@@H](CCOc1ccccc1)C(=O)N(C)C1CCS(=O)CC1 ZINC000081833416 192330351 /nfs/dbraw/zinc/33/03/51/192330351.db2.gz JTJFQPCCEPRJHB-CLRXMSQOSA-N 0 0 323.458 2.461 50 0 DEAARN Cc1nc2ncnn2c2ccn(-c3cccc(Cl)c3)c(=O)c12 ZINC000072115971 282132461 /nfs/dbraw/zinc/13/24/61/282132461.db2.gz MNSWTNOKVHHBMT-UHFFFAOYSA-N 0 0 311.732 2.390 50 0 DEAARN Nc1ncnc(N2CCN(Cc3cccs3)CC2)c1Cl ZINC000302810422 230838013 /nfs/dbraw/zinc/83/80/13/230838013.db2.gz YQDSEGIDAMYISX-UHFFFAOYSA-N 0 0 309.826 2.096 50 0 DEAARN COc1ccc(CNC(=O)CC2(O)CCCCC2)cc1OC ZINC000078808942 185113000 /nfs/dbraw/zinc/11/30/00/185113000.db2.gz 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/nfs/dbraw/zinc/14/33/42/185143342.db2.gz JSJPOXQAAQEKLO-ZDUSSCGKSA-N 0 0 314.389 2.209 50 0 DEAARN C[C@H]1CCC[C@H](CNC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000079085203 185155764 /nfs/dbraw/zinc/15/57/64/185155764.db2.gz HCOQNXGPCWSXTI-STQMWFEESA-N 0 0 304.390 2.107 50 0 DEAARN C[C@H](CNc1ccccc1)NC(=O)CNC(=O)c1ccsc1 ZINC000079100606 185158418 /nfs/dbraw/zinc/15/84/18/185158418.db2.gz WXJJPTIUAAUCKG-GFCCVEGCSA-N 0 0 317.414 2.095 50 0 DEAARN COc1ccsc1C(=O)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000079109421 185158923 /nfs/dbraw/zinc/15/89/23/185158923.db2.gz DOHKCCICTRSBOT-SNVBAGLBSA-N 0 0 306.391 2.203 50 0 DEAARN Cc1ccc2cccc(NC(=O)N[C@@H](C)Cn3cncn3)c2n1 ZINC000079350535 185166145 /nfs/dbraw/zinc/16/61/45/185166145.db2.gz IGIHZJIHPWZKEM-LBPRGKRZSA-N 0 0 310.361 2.345 50 0 DEAARN CC(C)c1nnc(CN2CCC[C@H]2C(=O)Nc2nccs2)o1 ZINC000079311639 185164674 /nfs/dbraw/zinc/16/46/74/185164674.db2.gz NKQMIHKCYLFLRD-JTQLQIEISA-N 0 0 321.406 2.253 50 0 DEAARN O=C1NCCN1[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000079311228 185164691 /nfs/dbraw/zinc/16/46/91/185164691.db2.gz DWKSDAJYEURIDL-JTQLQIEISA-N 0 0 314.311 2.094 50 0 DEAARN O=C(c1ccccc1O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000079349769 185166093 /nfs/dbraw/zinc/16/60/93/185166093.db2.gz IJMMTMFIMNKFCJ-UHFFFAOYSA-N 0 0 320.286 2.050 50 0 DEAARN CCOc1ccccc1CN(C)CC(=O)Nc1nnc(C)s1 ZINC000079354273 185166326 /nfs/dbraw/zinc/16/63/26/185166326.db2.gz LOJXEUNCWRHPBZ-UHFFFAOYSA-N 0 0 320.418 2.316 50 0 DEAARN O=C(CSc1cccc(F)c1)NCCCN1CCCC1=O ZINC000225442875 201709499 /nfs/dbraw/zinc/70/94/99/201709499.db2.gz HVCJSEMGRNEOPK-UHFFFAOYSA-N 0 0 310.394 2.047 50 0 DEAARN CO[C@@H](C)c1nsc(N2CC[C@@H](Oc3ccccn3)C2)n1 ZINC000328823948 231358674 /nfs/dbraw/zinc/35/86/74/231358674.db2.gz RZNIPWMJWFBFSD-WDEREUQCSA-N 0 0 306.391 2.298 50 0 DEAARN CC1(C)CN(C(=O)c2cccc3ncccc32)CC[S@@]1=O ZINC000088293229 185244928 /nfs/dbraw/zinc/24/49/28/185244928.db2.gz DQZBJAOLPJZPDI-OAQYLSRUSA-N 0 0 302.399 2.218 50 0 DEAARN C[C@@](CO)(NC(=O)NCCc1cccnc1)C1CCCCC1 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ZINC000069511053 402227580 /nfs/dbraw/zinc/22/75/80/402227580.db2.gz ZANPCGHWJDMKJR-OAHLLOKOSA-N 0 0 314.433 2.135 50 0 DEAARN CC(C)Cn1ncnc1Cn1ccnc1[C@@H](O)c1ccccc1 ZINC000154714027 402227601 /nfs/dbraw/zinc/22/76/01/402227601.db2.gz ISSXBGCXQUXPKH-INIZCTEOSA-N 0 0 311.389 2.261 50 0 DEAARN COc1ccc(C)cc1CSCc1nc(N)nc(N(C)C)n1 ZINC000069509497 402227807 /nfs/dbraw/zinc/22/78/07/402227807.db2.gz ARFJWSQQYNYQPL-UHFFFAOYSA-N 0 0 319.434 2.270 50 0 DEAARN COC(=O)c1c(C)nc(=O)[nH]c1SCCc1cccs1 ZINC000069517773 402228103 /nfs/dbraw/zinc/22/81/03/402228103.db2.gz KERJUIHMPWFLMA-UHFFFAOYSA-N 0 0 310.400 2.261 50 0 DEAARN Cc1cccc(N(CCC(N)=O)Cc2nnsc2Cl)c1 ZINC000069518496 402228254 /nfs/dbraw/zinc/22/82/54/402228254.db2.gz MECCRRSQLKXHOQ-UHFFFAOYSA-N 0 0 310.810 2.382 50 0 DEAARN CCO[C@@H]1C[C@@H](O)C12CCN(c1cncc(OC(C)C)n1)CC2 ZINC000125384775 402229081 /nfs/dbraw/zinc/22/90/81/402229081.db2.gz HINPZSJHQGMWCS-ZIAGYGMSSA-N 0 0 321.421 2.020 50 0 DEAARN CCCNC(=O)[C@H](C)[S@](=O)Cc1nc2ccccc2s1 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ZINC000069628154 402235051 /nfs/dbraw/zinc/23/50/51/402235051.db2.gz CDYAZJAMLBUTSZ-UHFFFAOYSA-N 0 0 311.384 2.474 50 0 DEAARN C[C@H]1CCCCN1C(=O)CSc1nc(=O)ccn1C1CC1 ZINC000069623011 402235247 /nfs/dbraw/zinc/23/52/47/402235247.db2.gz FBWAOXFUPVWXJY-NSHDSACASA-N 0 0 307.419 2.071 50 0 DEAARN C[C@H](CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000069632242 402235896 /nfs/dbraw/zinc/23/58/96/402235896.db2.gz HHQVUXJQNIHZJY-CRAIPNDOSA-N 0 0 316.445 2.300 50 0 DEAARN Cc1cc(CS(=O)(=O)NCC2(c3ccccc3)CC2)no1 ZINC000069657495 402237210 /nfs/dbraw/zinc/23/72/10/402237210.db2.gz MWXXKEBTNHTNFE-UHFFFAOYSA-N 0 0 306.387 2.134 50 0 DEAARN Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3cnn(C)c3)nc12 ZINC000069655103 402237284 /nfs/dbraw/zinc/23/72/84/402237284.db2.gz VAWRXKYRJJPAGN-INIZCTEOSA-N 0 0 323.400 2.282 50 0 DEAARN CCCc1noc(CCC(=O)N2CCC[C@H](n3ccnc3)C2)n1 ZINC000069662374 402237431 /nfs/dbraw/zinc/23/74/31/402237431.db2.gz LPJKUCXKUFCXKK-ZDUSSCGKSA-N 0 0 317.393 2.015 50 0 DEAARN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000069670319 402238456 /nfs/dbraw/zinc/23/84/56/402238456.db2.gz KVGKJHWPQTVHLD-WFASDCNBSA-N 0 0 315.421 2.201 50 0 DEAARN c1cn(Cc2csc(-c3ncccn3)n2)c(-c2cnccn2)n1 ZINC000069698346 402239162 /nfs/dbraw/zinc/23/91/62/402239162.db2.gz UCMDZQCLKGZMKQ-UHFFFAOYSA-N 0 0 321.369 2.302 50 0 DEAARN CCn1cnnc1CCNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000069703705 402240247 /nfs/dbraw/zinc/24/02/47/402240247.db2.gz YAXFTZWMIIADSE-NSHDSACASA-N 0 0 318.446 2.457 50 0 DEAARN C[C@H](O)CN1CCN(C(=O)C[C@@H](C)CCc2ccccc2)CC1 ZINC000069709307 402240551 /nfs/dbraw/zinc/24/05/51/402240551.db2.gz MCEGAEJPFCSHRL-IRXDYDNUSA-N 0 0 318.461 2.170 50 0 DEAARN Cc1cccc(-c2nnc([C@H](C)N[C@@H]3CCc4ncnn4C3)o2)c1 ZINC000069709256 402240848 /nfs/dbraw/zinc/24/08/48/402240848.db2.gz INFPNAVRPOXJAT-GXTWGEPZSA-N 0 0 324.388 2.302 50 0 DEAARN C[C@H]1CCc2ccccc2N1C(=O)CN1CCc2c(ncn2C)C1 ZINC000069740431 402241607 /nfs/dbraw/zinc/24/16/07/402241607.db2.gz JKGLWINZAISFJK-AWEZNQCLSA-N 0 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301.799 2.065 50 0 DEAARN O=C(CC[C@H]1CCCO1)N1CCCN(Cc2cscn2)CC1 ZINC000069814195 402245502 /nfs/dbraw/zinc/24/55/02/402245502.db2.gz CWRLTUITSCZKQW-OAHLLOKOSA-N 0 0 323.462 2.137 50 0 DEAARN Cn1c(CCCNC(=O)[C@]2(C)CCCO2)nc2ccccc21 ZINC000155162715 402246693 /nfs/dbraw/zinc/24/66/93/402246693.db2.gz VMIZLFKZEUFCLB-KRWDZBQOSA-N 0 0 301.390 2.191 50 0 DEAARN CNC(=O)Cc1ccc(NS(=O)(=O)[C@H](C)CC(C)C)cc1 ZINC000069844537 402246706 /nfs/dbraw/zinc/24/67/06/402246706.db2.gz FTMVXMCSFOCTIN-GFCCVEGCSA-N 0 0 312.435 2.151 50 0 DEAARN CCOC(=O)C1(NC(=O)C2CCCC2)Cc2ccccc2C1 ZINC000069842066 402247116 /nfs/dbraw/zinc/24/71/16/402247116.db2.gz ZXDXXTRISNAEOX-UHFFFAOYSA-N 0 0 301.386 2.394 50 0 DEAARN O=C(COC1CCCC1)Nc1ccc2c(c1)S(=O)(=O)C=C2 ZINC000069879340 402248933 /nfs/dbraw/zinc/24/89/33/402248933.db2.gz AXCYBMWBBBERGU-UHFFFAOYSA-N 0 0 307.371 2.342 50 0 DEAARN CCn1nnc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)ccc21 ZINC000069895793 402249889 /nfs/dbraw/zinc/24/98/89/402249889.db2.gz RJGWSUYZHWSQRK-AWEZNQCLSA-N 0 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/nfs/dbraw/zinc/32/26/48/402322648.db2.gz PXIQWZDWRPZAKN-NSHDSACASA-N 0 0 302.359 2.008 50 0 DEAARN O=C(Cn1cccn1)NCCCO[C@@H]1CCCc2ccccc21 ZINC000070873922 402266114 /nfs/dbraw/zinc/26/61/14/402266114.db2.gz APFZJSVPRXSAAR-QGZVFWFLSA-N 0 0 313.401 2.484 50 0 DEAARN CO[C@H](CSc1nnc(Cn2cncn2)o1)c1ccccc1 ZINC000225776983 402323774 /nfs/dbraw/zinc/32/37/74/402323774.db2.gz HHVQAHAYJSGBCS-GFCCVEGCSA-N 0 0 317.374 2.189 50 0 DEAARN O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc2cc[nH]c2c1 ZINC000071279135 402271775 /nfs/dbraw/zinc/27/17/75/402271775.db2.gz OQYVRWBYKVAUTJ-UHFFFAOYSA-N 0 0 322.368 2.242 50 0 DEAARN Cc1noc(C)c1Cc1nn2c(nnc2C(F)(F)F)s1 ZINC000071284828 402272315 /nfs/dbraw/zinc/27/23/15/402272315.db2.gz LZBVUQVMYLQPEJ-UHFFFAOYSA-N 0 0 303.269 2.400 50 0 DEAARN Cc1nnnn1-c1ccc(C(=O)N(C)Cc2ccccc2)cc1 ZINC000071284883 402272373 /nfs/dbraw/zinc/27/23/73/402272373.db2.gz DJQKZNRQOVZUJC-UHFFFAOYSA-N 0 0 307.357 2.243 50 0 DEAARN CNC(=O)[C@@H](NC(=O)c1ccoc1C)c1ccc(F)c(F)c1 ZINC000071417672 402274440 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COCCC1(C(=O)Nc2cccc(-n3cnnc3C)c2)CC1 ZINC000095979733 402040845 /nfs/dbraw/zinc/04/08/45/402040845.db2.gz CDHFMRWAMLZZRX-UHFFFAOYSA-N 0 0 300.362 2.331 50 0 DEAARN CNC(=O)[C@H]1CCCC[C@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000121504229 402040811 /nfs/dbraw/zinc/04/08/11/402040811.db2.gz YWARDQHVRUNOFO-GZMMTYOYSA-N 0 0 314.307 2.139 50 0 DEAARN COc1c(C)cnc(Cn2c(C)nn(C(C)(C)C)c2=O)c1C ZINC000095997482 402045367 /nfs/dbraw/zinc/04/53/67/402045367.db2.gz WFWNSTCVNSHQHV-UHFFFAOYSA-N 0 0 304.394 2.177 50 0 DEAARN CCCSCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000052748986 402045591 /nfs/dbraw/zinc/04/55/91/402045591.db2.gz DIQGZIBTTYABDK-UHFFFAOYSA-N 0 0 317.414 2.424 50 0 DEAARN O=C1c2ccccc2S(=O)(=O)N1Cc1cccnc1Cl ZINC000052718726 402045666 /nfs/dbraw/zinc/04/56/66/402045666.db2.gz AWSXWZFWNJHQNI-UHFFFAOYSA-N 0 0 308.746 2.080 50 0 DEAARN CCC(C)(C)[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1O ZINC000096004578 402046047 /nfs/dbraw/zinc/04/60/47/402046047.db2.gz LXQMZMRVPIVSCJ-CYBMUJFWSA-N 0 0 316.405 2.302 50 0 DEAARN COC(=O)COc1c(F)cc(Br)cc1C(C)=O ZINC000096009555 402046616 /nfs/dbraw/zinc/04/66/16/402046616.db2.gz RYFZYHXZMCYXHG-UHFFFAOYSA-N 0 0 305.099 2.343 50 0 DEAARN COCCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000096010012 402046845 /nfs/dbraw/zinc/04/68/45/402046845.db2.gz WOTQWEPLVAMUBF-UHFFFAOYSA-N 0 0 312.797 2.147 50 0 DEAARN Cn1ncc2c1nc(CN1CCC[C@H]1c1ccsc1)[nH]c2=O ZINC000052828005 402047614 /nfs/dbraw/zinc/04/76/14/402047614.db2.gz QYOIYZWRXISUPI-LBPRGKRZSA-N 0 0 315.402 2.055 50 0 DEAARN O=C(CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1 ZINC000053185001 402052203 /nfs/dbraw/zinc/05/22/03/402052203.db2.gz ILMNUQFYIARLST-ZBFHGGJFSA-N 0 0 308.381 2.150 50 0 biogenic DEAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)o1 ZINC000053275626 402053574 /nfs/dbraw/zinc/05/35/74/402053574.db2.gz KDDWUCROKBAIBA-FZMZJTMJSA-N 0 0 304.390 2.060 50 0 DEAARN Cn1cc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cn1 ZINC000096120623 402060955 /nfs/dbraw/zinc/06/09/55/402060955.db2.gz WNVYSGMAFUDXLH-UHFFFAOYSA-N 0 0 311.432 2.050 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DEAARN CCOC(=O)CCc1ccc(NC(=O)c2cc(C)[nH]n2)cc1 ZINC000096417094 402081505 /nfs/dbraw/zinc/08/15/05/402081505.db2.gz RZMJFUCSNMCAEX-UHFFFAOYSA-N 0 0 301.346 2.466 50 0 DEAARN Cc1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)s1 ZINC000096417268 402081549 /nfs/dbraw/zinc/08/15/49/402081549.db2.gz HCCDBSMVDGRYKS-UHFFFAOYSA-N 0 0 316.308 2.323 50 0 DEAARN Cc1noc(C)c1CCNC(=O)NC[C@](C)(O)c1ccsc1 ZINC000096419921 402082118 /nfs/dbraw/zinc/08/21/18/402082118.db2.gz NWCKNABNLJIPLX-HNNXBMFYSA-N 0 0 323.418 2.102 50 0 DEAARN O=C(NCCCOC[C@H]1CCOC1)N1CCc2ccccc2C1 ZINC000096419957 402082266 /nfs/dbraw/zinc/08/22/66/402082266.db2.gz FMGQMOQENZGQTD-OAHLLOKOSA-N 0 0 318.417 2.198 50 0 DEAARN CCc1cc(CNC(=O)NC[C@H]2CCO[C@H]2C(C)(C)C)on1 ZINC000096421591 402082575 /nfs/dbraw/zinc/08/25/75/402082575.db2.gz ZWSSUMNXUBZPNZ-BXUZGUMPSA-N 0 0 309.410 2.487 50 0 DEAARN CC(C)(C)CCCC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000096420597 402082812 /nfs/dbraw/zinc/08/28/12/402082812.db2.gz UYXUPNKGTGXUSY-UHFFFAOYSA-N 0 0 315.439 2.083 50 0 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ZINC000049431982 183730789 /nfs/dbraw/zinc/73/07/89/183730789.db2.gz NWCPWXJPDJDNDI-UHFFFAOYSA-N 0 0 311.172 2.390 50 0 DEAARN NC(=O)CCCNC(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000049759215 183758503 /nfs/dbraw/zinc/75/85/03/183758503.db2.gz JYIYFPKHSBRHTD-KRWDZBQOSA-N 0 0 312.369 2.188 50 0 DEAARN O=C(c1cnn(Cc2ccccc2)c1)N1CCO[C@H]2CCC[C@@H]21 ZINC000053379134 183900263 /nfs/dbraw/zinc/90/02/63/183900263.db2.gz QJCVJGXTVBBFBL-IRXDYDNUSA-N 0 0 311.385 2.325 50 0 DEAARN COc1ccc2c(ccn2CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000053384819 183900544 /nfs/dbraw/zinc/90/05/44/183900544.db2.gz WVLVZFAYUZQNCS-DLBZAZTESA-N 0 0 314.385 2.430 50 0 DEAARN CCCNC(=O)CCNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000053142577 183889489 /nfs/dbraw/zinc/88/94/89/183889489.db2.gz HFVDJZFKJRCCDW-UHFFFAOYSA-N 0 0 321.808 2.327 50 0 DEAARN CS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 ZINC000110656059 194346391 /nfs/dbraw/zinc/34/63/91/194346391.db2.gz FYUCQZOCJYDUJY-GHMZBOCLSA-N 0 0 317.480 2.438 50 0 DEAARN C[C@@H]1CN(C(C)(C)CNC(=O)Nc2cccnc2)C[C@@H](C)O1 ZINC000054640759 183947220 /nfs/dbraw/zinc/94/72/20/183947220.db2.gz RAJANDBIVOAWPP-CHWSQXEVSA-N 0 0 306.410 2.091 50 0 DEAARN CCSc1nc(CC(=O)NCCCn2ccnc2)cs1 ZINC000055088118 183962887 /nfs/dbraw/zinc/96/28/87/183962887.db2.gz PRGGTZYICTYGCP-UHFFFAOYSA-N 0 0 310.448 2.201 50 0 DEAARN Cc1ccsc1CNc1cccc(C(=O)N[C@H](C)C(N)=O)c1 ZINC000055254261 183974122 /nfs/dbraw/zinc/97/41/22/183974122.db2.gz MTRBZURZKGWOGS-LLVKDONJSA-N 0 0 317.414 2.272 50 0 DEAARN CC(C)CCn1c2ccc(C(=O)[O-])cc2n(CC[NH+](C)C)c1=O ZINC000055326055 183979501 /nfs/dbraw/zinc/97/95/01/183979501.db2.gz AQPQJUXONSYDAC-UHFFFAOYSA-N 0 0 319.405 2.109 50 0 DEAARN COCCN(Cc1cnn(C)c1)C(=O)c1ccc(Cl)s1 ZINC000055414310 183986388 /nfs/dbraw/zinc/98/63/88/183986388.db2.gz IRCZCQCJBUTCBR-UHFFFAOYSA-N 0 0 313.810 2.424 50 0 DEAARN CC(C)COC1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000055911221 184000527 /nfs/dbraw/zinc/00/05/27/184000527.db2.gz XTEITRKCHFKOLU-UHFFFAOYSA-N 0 0 310.438 2.053 50 0 DEAARN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cnccn1 ZINC000055944096 184001265 /nfs/dbraw/zinc/00/12/65/184001265.db2.gz LBEJQFJFIHZENZ-GJZGRUSLSA-N 0 0 301.321 2.266 50 0 DEAARN Cn1cc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 ZINC000055944963 184001515 /nfs/dbraw/zinc/00/15/15/184001515.db2.gz QBFXUHYQLVLOKV-LSDHHAIUSA-N 0 0 303.337 2.209 50 0 DEAARN O=C(/C=C/c1cccc2cccnc12)NCCNc1cnccn1 ZINC000056497241 184013561 /nfs/dbraw/zinc/01/35/61/184013561.db2.gz FYLRYYDHJOCKDP-VOTSOKGWSA-N 0 0 319.368 2.266 50 0 DEAARN CC[C@@H](C)NC(=O)CCNC(=O)NCCc1ccccc1C ZINC000056330908 184010323 /nfs/dbraw/zinc/01/03/23/184010323.db2.gz VZPWWPMBBDOAKR-CQSZACIVSA-N 0 0 305.422 2.142 50 0 DEAARN Cn1nc(C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1=O ZINC000057160221 184029092 /nfs/dbraw/zinc/02/90/92/184029092.db2.gz ZFXPASTYEDNILA-UHFFFAOYSA-N 0 0 301.346 2.036 50 0 DEAARN Cc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000057265699 184031157 /nfs/dbraw/zinc/03/11/57/184031157.db2.gz QTOLMEUUNGUZCE-UHFFFAOYSA-N 0 0 319.405 2.473 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