smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CN(C)C(=O)CC2(CS(C)(=O)=O)CC2)cc1 ZINC000176458600 529780109 /nfs/dbraw/zinc/78/01/09/529780109.db2.gz NMYJLGCVFZBKFZ-UHFFFAOYSA-N 0 0 338.473 1.926 20 10 EDCDRN CNC(=O)C(C)(C)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000125292977 529838564 /nfs/dbraw/zinc/83/85/64/529838564.db2.gz OGMOUAYMQCINPW-UHFFFAOYSA-N 0 0 348.447 1.095 20 10 EDCDRN CN1CCCc2cc(CNC(=O)Nc3cccc(C(N)=O)n3)ccc21 ZINC000127141741 530065781 /nfs/dbraw/zinc/06/57/81/530065781.db2.gz YPWMMHXNGSMVEP-UHFFFAOYSA-N 0 0 339.399 1.885 20 10 EDCDRN Cc1ccc(CCC(=O)NCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000237679547 249303180 /nfs/dbraw/zinc/30/31/80/249303180.db2.gz SOQPKHPZFHTNSH-UHFFFAOYSA-N 0 0 339.439 1.985 20 10 EDCDRN Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)c(C)n1-c1ccccn1 ZINC000282248706 249524186 /nfs/dbraw/zinc/52/41/86/249524186.db2.gz SIDNWOXMDXZOQA-SWLSCSKDSA-N 0 0 326.400 1.886 20 10 EDCDRN CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000285233797 249625563 /nfs/dbraw/zinc/62/55/63/249625563.db2.gz NIVVJMZGNCQROQ-SNVBAGLBSA-N 0 0 327.331 1.119 20 10 EDCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[C@@H](CO)C1 ZINC000296248148 249747986 /nfs/dbraw/zinc/74/79/86/249747986.db2.gz QBBOSLINYAVYEP-CDFMYIFESA-N 0 0 330.428 1.814 20 10 EDCDRN O=C(Cn1cc(NC(=O)NCc2ccccc2O)cn1)NC1CC1 ZINC000299552653 249797874 /nfs/dbraw/zinc/79/78/74/249797874.db2.gz XYYGEUOQMSASSU-UHFFFAOYSA-N 0 0 329.360 1.189 20 10 EDCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000367936063 250196754 /nfs/dbraw/zinc/19/67/54/250196754.db2.gz XNAHYQBWBLRAHY-GFCCVEGCSA-N 0 0 344.342 1.906 20 10 EDCDRN Cc1cc(Br)cc(CN2CCN3CCOC[C@H]3C2)c1O ZINC000371887313 250215068 /nfs/dbraw/zinc/21/50/68/250215068.db2.gz FKOUCMACVFDPFY-CQSZACIVSA-N 0 0 341.249 1.980 20 10 EDCDRN C[C@@H](C[S@](C)=O)NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371961599 250216235 /nfs/dbraw/zinc/21/62/35/250216235.db2.gz RPHCQHQSZRUZFO-NPMABZOXSA-N 0 0 335.473 1.928 20 10 EDCDRN COc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(O)c1 ZINC000373667460 250243122 /nfs/dbraw/zinc/24/31/22/250243122.db2.gz QFGWYGYEYGHYKT-ZDUSSCGKSA-N 0 0 344.367 1.659 20 10 EDCDRN COc1ccc(CNC(=O)c2cn(C)nc2-c2cnn(C)c2)c(O)c1 ZINC000373667694 250243675 /nfs/dbraw/zinc/24/36/75/250243675.db2.gz REHFUUWPBOFGAM-UHFFFAOYSA-N 0 0 341.371 1.465 20 10 EDCDRN CN1CCc2cc(CNC(=O)N=c3nc[nH]n3C(C)(C)C)ccc21 ZINC000374766268 250273009 /nfs/dbraw/zinc/27/30/09/250273009.db2.gz LGHNMMKICUYOTK-UHFFFAOYSA-N 0 0 328.420 1.769 20 10 EDCDRN CCCOc1ccc(CN2CC(n3cc([C@H](C)O)nn3)C2)c(O)c1 ZINC000374806261 250273021 /nfs/dbraw/zinc/27/30/21/250273021.db2.gz LHYLHPLSZQKOJG-LBPRGKRZSA-N 0 0 332.404 1.883 20 10 EDCDRN CN(C)c1ccc(C2=CCN(C(=O)Cc3nc4ncccn4n3)C2)cc1 ZINC000374848080 250273388 /nfs/dbraw/zinc/27/33/88/250273388.db2.gz UQKNEZXWNFBUMJ-UHFFFAOYSA-N 0 0 348.410 1.659 20 10 EDCDRN O=S(=O)([C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1)N1CCCC1 ZINC000374902873 250275982 /nfs/dbraw/zinc/27/59/82/250275982.db2.gz YVRSMRCRVNSXCM-ZDUSSCGKSA-N 0 0 328.409 1.531 20 10 EDCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@]4(CCCOC4)C3)cc2N1 ZINC000368542826 296341534 /nfs/dbraw/zinc/34/15/34/296341534.db2.gz FKUCCYACJRJFRP-INIZCTEOSA-N 0 0 349.343 1.312 20 10 EDCDRN C[C@@H](O)CCN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000133623926 533606239 /nfs/dbraw/zinc/60/62/39/533606239.db2.gz BWZRVJCCWXZNEA-CYBMUJFWSA-N 0 0 339.411 1.575 20 10 EDCDRN CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000175575164 279234302 /nfs/dbraw/zinc/23/43/02/279234302.db2.gz HTAVDKYHCGVBLP-CYBMUJFWSA-N 0 0 329.393 1.743 20 10 EDCDRN COc1ccc(O)c(CN2CCN([C@@H]3CCCCNC3=O)CC2)c1 ZINC000378443605 447429153 /nfs/dbraw/zinc/42/91/53/447429153.db2.gz NDWXJEDKWFWVMU-MRXNPFEDSA-N 0 0 333.432 1.187 20 10 EDCDRN CCN(CC)C(=O)CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007241889 441041111 /nfs/dbraw/zinc/04/11/11/441041111.db2.gz KDBZNJRVULJEIE-UHFFFAOYSA-N 0 0 334.464 1.169 20 10 EDCDRN COc1ccc(N2CCN(C(=O)CCCCNC(N)=O)CC2)cc1 ZINC000008138914 441083872 /nfs/dbraw/zinc/08/38/72/441083872.db2.gz DMERRNFEZUROLG-UHFFFAOYSA-N 0 0 334.420 1.182 20 10 EDCDRN COCCN1C(=O)C(=CNc2cc(C)ccc2OC)C(=O)NC1=S ZINC000060861862 441260015 /nfs/dbraw/zinc/26/00/15/441260015.db2.gz CUMFHZVNVXQQFT-LUAWRHEFSA-N 0 0 349.412 1.189 20 10 EDCDRN CCOc1ccc(NC=C2C(=O)NC(=S)N(CCOC)C2=O)cc1 ZINC000060860874 441260071 /nfs/dbraw/zinc/26/00/71/441260071.db2.gz CQGGNOXPLYFOFY-RAXLEYEMSA-N 0 0 349.412 1.271 20 10 EDCDRN COc1ccc(N2CCN(CCNC(=O)c3ccncc3)CC2)cc1 ZINC000028476311 441433392 /nfs/dbraw/zinc/43/33/92/441433392.db2.gz FCHSRCPWEMMVOW-UHFFFAOYSA-N 0 0 340.427 1.642 20 10 EDCDRN Cc1nc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000074610846 441449930 /nfs/dbraw/zinc/44/99/30/441449930.db2.gz KUBRESMBSDOJSJ-CQSZACIVSA-N 0 0 346.387 1.974 20 10 EDCDRN C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC(C)(C)O1 ZINC000065620351 441472002 /nfs/dbraw/zinc/47/20/02/441472002.db2.gz CMXWPRUPVKSFDP-SNVBAGLBSA-N 0 0 342.417 1.403 20 10 EDCDRN COc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1O ZINC000068488856 441808287 /nfs/dbraw/zinc/80/82/87/441808287.db2.gz XGUKRQOKKKDYJM-ZDUSSCGKSA-N 0 0 344.367 1.659 20 10 EDCDRN CNC(=O)c1cncc(/C=C/C(=O)N(C)c2cccnc2N(C)C)c1 ZINC000079726207 442081316 /nfs/dbraw/zinc/08/13/16/442081316.db2.gz NZMVRVQIQZJDPC-BQYQJAHWSA-N 0 0 339.399 1.578 20 10 EDCDRN CCN(CCS(C)(=O)=O)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000152026577 442155996 /nfs/dbraw/zinc/15/59/96/442155996.db2.gz RVYMAAIORRMBRF-UHFFFAOYSA-N 0 0 349.456 1.996 20 10 EDCDRN Nc1ccc(CCNC(=O)CCN2C(=O)COc3ccccc32)cc1 ZINC000152568964 442227397 /nfs/dbraw/zinc/22/73/97/442227397.db2.gz GKCKNFRRMZDKJY-UHFFFAOYSA-N 0 0 339.395 1.743 20 10 EDCDRN COC(=O)N1CC(NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000178695464 442458012 /nfs/dbraw/zinc/45/80/12/442458012.db2.gz HHMVUBSJUKXMCI-UHFFFAOYSA-N 0 0 330.388 1.313 20 10 EDCDRN COc1ccc(N2CCN(C(=O)CN3CCO[C@H](C)[C@H]3C)CC2)cc1 ZINC000178591746 442446242 /nfs/dbraw/zinc/44/62/42/442446242.db2.gz ZRGCDIRMUARUDW-HZPDHXFCSA-N 0 0 347.459 1.453 20 10 EDCDRN COc1ccc(N2CCN([C@H](C)c3nnnn3C3CC3)CC2)cc1 ZINC000191883974 442532701 /nfs/dbraw/zinc/53/27/01/442532701.db2.gz PGCCESNCKKYOCM-CYBMUJFWSA-N 0 0 328.420 1.900 20 10 EDCDRN CC(C)C(=O)NCCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000157593472 442596184 /nfs/dbraw/zinc/59/61/84/442596184.db2.gz JMIJTYKQJDQPHN-UHFFFAOYSA-N 0 0 334.464 1.073 20 10 EDCDRN COc1ccc(O)c(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000180631550 442638175 /nfs/dbraw/zinc/63/81/75/442638175.db2.gz ZCEJKRHUPCPLLK-HNNXBMFYSA-N 0 0 347.459 1.529 20 10 EDCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)C1CCOCC1 ZINC000265642237 442858551 /nfs/dbraw/zinc/85/85/51/442858551.db2.gz VFJNQMMKSQZVCO-SFHVURJKSA-N 0 0 347.459 1.874 20 10 EDCDRN NC(=O)[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183029355 442867020 /nfs/dbraw/zinc/86/70/20/442867020.db2.gz UNYKRQLOASPNNB-SFHVURJKSA-N 0 0 342.395 1.657 20 10 EDCDRN COc1ccc(N2CCN(S(=O)(=O)C[C@@H](C)OC)CC2)cc1 ZINC000195041584 442978098 /nfs/dbraw/zinc/97/80/98/442978098.db2.gz FDUKHVOXUOMMAP-CYBMUJFWSA-N 0 0 328.434 1.182 20 10 EDCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCCCC2)cc1 ZINC000266039378 442998157 /nfs/dbraw/zinc/99/81/57/442998157.db2.gz PBLBWSZTORQWOX-UHFFFAOYSA-N 0 0 347.462 1.591 20 10 EDCDRN CC(=O)N[C@H]1CCCN(C(=O)COc2ccc(N3CCCC3)cc2)C1 ZINC000268619046 443054811 /nfs/dbraw/zinc/05/48/11/443054811.db2.gz YLPKQFPOMRSKQG-INIZCTEOSA-N 0 0 345.443 1.793 20 10 EDCDRN CCN(C)C(=O)[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190123114 443061114 /nfs/dbraw/zinc/06/11/14/443061114.db2.gz XLVRFPXFHKKNHV-AWEZNQCLSA-N 0 0 332.448 1.953 20 10 EDCDRN Cn1cc([C@@H](O)CNC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000266627724 443190737 /nfs/dbraw/zinc/19/07/37/443190737.db2.gz YNUCNALRKFKTHD-KRWDZBQOSA-N 0 0 343.431 1.553 20 10 EDCDRN Cn1cc([C@H](O)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000266523000 443155656 /nfs/dbraw/zinc/15/56/56/443155656.db2.gz NUKAGZVRZIACOD-QGZVFWFLSA-N 0 0 341.415 1.329 20 10 EDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCC[C@@H]1O ZINC000266787570 443242179 /nfs/dbraw/zinc/24/21/79/443242179.db2.gz SLMUNVMMARTVNW-WBVHZDCISA-N 0 0 333.432 1.483 20 10 EDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccon2)cc1F ZINC000185795184 443258524 /nfs/dbraw/zinc/25/85/24/443258524.db2.gz GXIKJYIWXKGSOV-UHFFFAOYSA-N 0 0 334.351 1.915 20 10 EDCDRN CCC[C@](C)(O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000269284511 443266516 /nfs/dbraw/zinc/26/65/16/443266516.db2.gz BVJFETHCZHSPLI-IBGZPJMESA-N 0 0 349.475 1.485 20 10 EDCDRN C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2F)C[C@H](C)O1 ZINC000264370550 443266647 /nfs/dbraw/zinc/26/66/47/443266647.db2.gz HSBBDYRQQJEXCZ-SLEUVZQESA-N 0 0 349.406 1.334 20 10 EDCDRN COC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)[C@H](C(=O)OC)C1 ZINC000272513942 443346700 /nfs/dbraw/zinc/34/67/00/443346700.db2.gz JQZGKEZKEQOPDT-AAEUAGOBSA-N 0 0 337.372 1.327 20 10 EDCDRN COc1cccc(CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)c1O ZINC000282789022 443434371 /nfs/dbraw/zinc/43/43/71/443434371.db2.gz FVWYYBXPVVPYFG-CYBMUJFWSA-N 0 0 333.388 1.401 20 10 EDCDRN Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c(O)c1O ZINC000272770831 443438654 /nfs/dbraw/zinc/43/86/54/443438654.db2.gz SHIUISONQDTSIG-TZMCWYRMSA-N 0 0 347.367 1.964 20 10 EDCDRN COC[C@@H](C)S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269700879 443402501 /nfs/dbraw/zinc/40/25/01/443402501.db2.gz LBFDQXRURWQFQO-HIFRSBDPSA-N 0 0 343.445 1.738 20 10 EDCDRN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000278711742 443410031 /nfs/dbraw/zinc/41/00/31/443410031.db2.gz OMRGCCIBZKDHNM-JSGCOSHPSA-N 0 0 329.824 1.891 20 10 EDCDRN CN(CC(=O)NC1CCC2(CC1)OCCO2)c1ccc2c(c1)OCO2 ZINC000270101660 443459970 /nfs/dbraw/zinc/45/99/70/443459970.db2.gz BQTFISOUVNMFQJ-UHFFFAOYSA-N 0 0 348.399 1.653 20 10 EDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CC[C@H](CO)CC2)c1 ZINC000270337206 443467143 /nfs/dbraw/zinc/46/71/43/443467143.db2.gz MZRNUKJUOPBNBK-XYPYZODXSA-N 0 0 342.417 1.045 20 10 EDCDRN CN(C)c1ccc(CN(C)C(=O)CN2CC(=O)N(CC3CC3)C2)cc1 ZINC000279046051 443501025 /nfs/dbraw/zinc/50/10/25/443501025.db2.gz JYRRSFGHUDIITO-UHFFFAOYSA-N 0 0 344.459 1.223 20 10 EDCDRN CC(=O)OCCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279157745 443522024 /nfs/dbraw/zinc/52/20/24/443522024.db2.gz BKNKMJYFQVEFGS-UHFFFAOYSA-N 0 0 340.445 1.659 20 10 EDCDRN CC(C)NS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000272208168 443557061 /nfs/dbraw/zinc/55/70/61/443557061.db2.gz PVJXUDMNMIXVDK-UHFFFAOYSA-N 0 0 341.477 1.228 20 10 EDCDRN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273464459 443575968 /nfs/dbraw/zinc/57/59/68/443575968.db2.gz IRWWEKYCNPBSRJ-QWRGUYRKSA-N 0 0 329.418 1.653 20 10 EDCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000272284199 443578987 /nfs/dbraw/zinc/57/89/87/443578987.db2.gz GAILLXJBUFIMPE-AWEZNQCLSA-N 0 0 347.415 1.642 20 10 EDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000273575657 443580152 /nfs/dbraw/zinc/58/01/52/443580152.db2.gz LRSAJECIWDCPQO-ZDUSSCGKSA-N 0 0 336.432 1.940 20 10 EDCDRN C[C@@H]1OCC[C@]1(O)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000279441713 443586512 /nfs/dbraw/zinc/58/65/12/443586512.db2.gz KAFVAIHOEHUFPU-ZBEGNZNMSA-N 0 0 325.384 1.231 20 10 EDCDRN Cc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c(C)n1-c1ccccn1 ZINC000265152728 443551076 /nfs/dbraw/zinc/55/10/76/443551076.db2.gz ZBPRQRINPKNEGL-ZDUSSCGKSA-N 0 0 327.388 1.372 20 10 EDCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCCS1(=O)=O ZINC000273164631 443554314 /nfs/dbraw/zinc/55/43/14/443554314.db2.gz APOLLGPAMDSGFP-HNNXBMFYSA-N 0 0 338.429 1.445 20 10 EDCDRN CN(C)c1ccc(CN(C(=O)NCC(=O)NCC2CC2)C2CC2)cc1 ZINC000272354932 443601086 /nfs/dbraw/zinc/60/10/86/443601086.db2.gz DPILNPYQFACOSP-UHFFFAOYSA-N 0 0 344.459 1.953 20 10 EDCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(OC)nc2)cn1 ZINC000275006384 443618235 /nfs/dbraw/zinc/61/82/35/443618235.db2.gz LRGWYWGJCZNRQP-UHFFFAOYSA-N 0 0 340.387 1.984 20 10 EDCDRN Cc1cnc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000275932203 443646664 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O=C(CCCF)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000822759027 594096823 /nfs/dbraw/zinc/09/68/23/594096823.db2.gz HASUYLKKZDGVIL-UHFFFAOYSA-N 0 0 328.409 1.287 20 10 EDCDRN CCOc1cccc(CN2CCc3[nH]nc(C(=O)OC)c3C2)c1O ZINC000825017334 594116721 /nfs/dbraw/zinc/11/67/21/594116721.db2.gz PGEGCOOCHIEPTH-UHFFFAOYSA-N 0 0 331.372 1.859 20 10 EDCDRN O=S1(=O)CCN(Cc2cc3c(cc2O)OCO3)[C@@H]2CCC[C@@H]21 ZINC000825200347 594146745 /nfs/dbraw/zinc/14/67/45/594146745.db2.gz DEUCZCRSHDLZNW-ABAIWWIYSA-N 0 0 325.386 1.272 20 10 EDCDRN CCn1cc(CC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000823196406 594168069 /nfs/dbraw/zinc/16/80/69/594168069.db2.gz BPUATSUSYDOGFW-CQSZACIVSA-N 0 0 343.431 1.492 20 10 EDCDRN C[C@@H](O)CCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823548502 594216108 /nfs/dbraw/zinc/21/61/08/594216108.db2.gz POEFWZSWFBDEQU-CQSZACIVSA-N 0 0 335.448 1.560 20 10 EDCDRN CC(C)[C@@](C)(O)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823553935 594216479 /nfs/dbraw/zinc/21/64/79/594216479.db2.gz 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CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CN(CC)C(=O)O1 ZINC000847001501 595349212 /nfs/dbraw/zinc/34/92/12/595349212.db2.gz JMBMTUPIGXLZIT-AWEZNQCLSA-N 0 0 336.388 1.598 20 10 EDCDRN NC(=O)[C@@H]1CC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000847356623 595402722 /nfs/dbraw/zinc/40/27/22/595402722.db2.gz ULLPVFVURHXEAR-HUUCEWRRSA-N 0 0 333.457 1.368 20 10 EDCDRN CC(C)(CO)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000847367476 595405126 /nfs/dbraw/zinc/40/51/26/595405126.db2.gz QSPBYCMDZOLKGB-AWEZNQCLSA-N 0 0 333.432 1.023 20 10 EDCDRN Cn1nnc2c1CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])C2 ZINC000848566935 595406372 /nfs/dbraw/zinc/40/63/72/595406372.db2.gz MKZYKLRUKRTABF-JTQLQIEISA-N 0 0 337.221 1.930 20 10 EDCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000844898933 595410244 /nfs/dbraw/zinc/41/02/44/595410244.db2.gz PPFYLXNRLVNEJS-PBPSECFOSA-N 0 0 335.473 1.948 20 10 EDCDRN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847393808 595410397 /nfs/dbraw/zinc/41/03/97/595410397.db2.gz 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O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1CCO ZINC000779540050 580488457 /nfs/dbraw/zinc/48/84/57/580488457.db2.gz NFCFFJRNQRMWPO-KRWDZBQOSA-N 0 0 333.432 1.580 20 10 EDCDRN COc1cc([N+](=O)[O-])c(N2CCC3(CNC(=O)O3)CC2)cc1OC ZINC000780651149 580530217 /nfs/dbraw/zinc/53/02/17/580530217.db2.gz AARIPCJODYSZAR-UHFFFAOYSA-N 0 0 337.332 1.691 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000780833827 580534561 /nfs/dbraw/zinc/53/45/61/580534561.db2.gz RPLWHOZJZAPKEZ-CQSZACIVSA-N 0 0 344.459 1.871 20 10 EDCDRN Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c(O)c1O ZINC000780863754 580535473 /nfs/dbraw/zinc/53/54/73/580535473.db2.gz VHTJDFSTHXMZLM-UHFFFAOYSA-N 0 0 332.400 1.881 20 10 EDCDRN COc1cc(O)c(CNc2cccc(S(N)(=O)=O)c2)cc1OC ZINC000780894536 580536791 /nfs/dbraw/zinc/53/67/91/580536791.db2.gz GVQYTDAGLJVFEH-UHFFFAOYSA-N 0 0 338.385 1.669 20 10 EDCDRN Cc1ccc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c(O)c1O ZINC000780917404 580537505 /nfs/dbraw/zinc/53/75/05/580537505.db2.gz RSORKVXVNDEIBF-UHFFFAOYSA-N 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580643647 /nfs/dbraw/zinc/64/36/47/580643647.db2.gz VZKWSEHUCZAIAC-BBRMVZONSA-N 0 0 333.432 1.252 20 10 EDCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000785427264 580643776 /nfs/dbraw/zinc/64/37/76/580643776.db2.gz BXVGNADQWCTGOS-INIZCTEOSA-N 0 0 331.416 1.006 20 10 EDCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCOC2CCCC2)cc1 ZINC000785428842 580643864 /nfs/dbraw/zinc/64/38/64/580643864.db2.gz SZUVELYHSHRSIW-UHFFFAOYSA-N 0 0 333.432 1.444 20 10 EDCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CO[C@H](C)C3)cc2)CC1 ZINC000786256540 580665415 /nfs/dbraw/zinc/66/54/15/580665415.db2.gz SJFFBISVYATEAF-RHSMWYFYSA-N 0 0 345.443 1.396 20 10 EDCDRN Cn1cccc1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000788333454 580717587 /nfs/dbraw/zinc/71/75/87/580717587.db2.gz BJSMOYVZIKNIOK-UHFFFAOYSA-N 0 0 338.458 1.396 20 10 EDCDRN COc1ccc(O)c(CNS(=O)(=O)Cc2csc(C)n2)c1 ZINC000790026805 580759848 /nfs/dbraw/zinc/75/98/48/580759848.db2.gz PUBNLCHIYQNSHC-UHFFFAOYSA-N 0 0 328.415 1.785 20 10 EDCDRN CCNC(=O)COc1cccc(CNC(=O)c2cccc(O)c2O)c1 ZINC000790554658 580772944 /nfs/dbraw/zinc/77/29/44/580772944.db2.gz KBYDEIBRZVWKTG-UHFFFAOYSA-N 0 0 344.367 1.543 20 10 EDCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792766389 580827174 /nfs/dbraw/zinc/82/71/74/580827174.db2.gz KSKGQBWQZJYYQC-CYBMUJFWSA-N 0 0 340.445 1.708 20 10 EDCDRN COc1ccc(CNC(=O)NCc2cnc(N(C)C)n2C)c(O)c1 ZINC000792987575 580833197 /nfs/dbraw/zinc/83/31/97/580833197.db2.gz DKUFQADVUXHJBO-UHFFFAOYSA-N 0 0 333.392 1.200 20 10 EDCDRN COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(O)c1 ZINC000794379603 580889674 /nfs/dbraw/zinc/88/96/74/580889674.db2.gz SDZOHODQKNMHHK-UHFFFAOYSA-N 0 0 340.335 1.557 20 10 EDCDRN CCCC1N=NC(=S)N1CC(=O)NCc1ccc(OC)cc1O ZINC000794380255 580889677 /nfs/dbraw/zinc/88/96/77/580889677.db2.gz XGPHZBQRPLFKMI-UHFFFAOYSA-N 0 0 336.417 1.550 20 10 EDCDRN COC(=O)[C@H]1[C@@H]2CN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000794950985 580908816 /nfs/dbraw/zinc/90/88/16/580908816.db2.gz FFYSXHSMGNIADM-VQFNDLOPSA-N 0 0 345.443 1.062 20 10 EDCDRN Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cn1 ZINC000795291023 580917842 /nfs/dbraw/zinc/91/78/42/580917842.db2.gz UOBMDEXRQOSNNR-UHFFFAOYSA-N 0 0 341.414 1.562 20 10 EDCDRN C[S@@](=O)c1ccc(CC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000797919728 580983701 /nfs/dbraw/zinc/98/37/01/580983701.db2.gz GAOCTKXZOSFSLL-XMMPIXPASA-N 0 0 348.376 1.804 20 10 EDCDRN COC(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000798161313 580989184 /nfs/dbraw/zinc/98/91/84/580989184.db2.gz RGILOTJJIGMHFD-UHFFFAOYSA-N 0 0 329.356 1.991 20 10 EDCDRN O=C(NCc1ccc(O)c(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000799628249 581033231 /nfs/dbraw/zinc/03/32/31/581033231.db2.gz CSTOZMLEJQUFFO-UHFFFAOYSA-N 0 0 331.284 1.261 20 10 EDCDRN C[C@H]1CCCN(c2ccc(CNC(=O)CNC(N)=O)cc2Cl)C1 ZINC000800343491 581050879 /nfs/dbraw/zinc/05/08/79/581050879.db2.gz SNVHPUSBZUQDBO-NSHDSACASA-N 0 0 338.839 1.861 20 10 EDCDRN Cn1ccc(C(=O)NCc2cc(Br)ccc2O)cc1=O ZINC000804737035 590756705 /nfs/dbraw/zinc/75/67/05/590756705.db2.gz BBFXXYRURSBOBY-UHFFFAOYSA-N 0 0 337.173 1.783 20 10 EDCDRN CC(=O)N1CCN(c2ccc(CNc3cc(=O)[nH]cn3)cc2)CC1 ZINC000893403204 590848618 /nfs/dbraw/zinc/84/86/18/590848618.db2.gz WKUJCGZAFPHDHQ-UHFFFAOYSA-N 0 0 327.388 1.463 20 10 EDCDRN CN(C)c1ccc([C@H](CNC(=O)c2cccc(=O)n2C)[NH+](C)C)cc1 ZINC000891251549 591020174 /nfs/dbraw/zinc/02/01/74/591020174.db2.gz GNPWOFWAKZXMNV-KRWDZBQOSA-N 0 0 342.443 1.484 20 10 EDCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCCS1(=O)=O ZINC000893725061 591069075 /nfs/dbraw/zinc/06/90/75/591069075.db2.gz DZBYYTSVISKMFO-SNVBAGLBSA-N 0 0 332.809 1.422 20 10 EDCDRN COc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(O)c1OC ZINC000892929399 591228633 /nfs/dbraw/zinc/22/86/33/591228633.db2.gz SVXCZTHTGWRUMQ-CQSZACIVSA-N 0 0 337.464 1.383 20 10 EDCDRN COC(=O)[C@]1(O)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000895702682 591254528 /nfs/dbraw/zinc/25/45/28/591254528.db2.gz DYEHVFWVAPDCAX-HNNXBMFYSA-N 0 0 346.349 1.881 20 10 EDCDRN CC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)C[C@@H](C)S1(=O)=O ZINC000894447330 591313879 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Cn1cc([C@]2(CNC(=O)N3Cc4cccc(O)c4C3)CCCO2)cn1 ZINC000898652165 591458367 /nfs/dbraw/zinc/45/83/67/591458367.db2.gz UAOZEPQBISOBDG-GOSISDBHSA-N 0 0 342.399 1.857 20 10 EDCDRN COC(=O)[C@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000894971152 591503399 /nfs/dbraw/zinc/50/33/99/591503399.db2.gz AQAJPGVERZHMIN-AWEZNQCLSA-N 0 0 334.338 1.785 20 10 EDCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000897581482 591565961 /nfs/dbraw/zinc/56/59/61/591565961.db2.gz RLIJKMFOGGBJNS-UNQGMJICSA-N 0 0 347.434 1.916 20 10 EDCDRN COC[C@@H]1COCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000896688168 591575817 /nfs/dbraw/zinc/57/58/17/591575817.db2.gz JKCOHDCQOMMOKX-DIECRNLCSA-N 0 0 336.344 1.633 20 10 EDCDRN CCO[N-]C(=O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895147937 591618143 /nfs/dbraw/zinc/61/81/43/591618143.db2.gz AWLDJGALFIOUMS-UHFFFAOYSA-N 0 0 337.351 1.261 20 10 EDCDRN O=C1NCCC2(CN(Cc3ccc(N4CCC(O)CC4)cc3)C2)O1 ZINC000897749460 591642006 /nfs/dbraw/zinc/64/20/06/591642006.db2.gz JZUMDCMGPDLFOB-UHFFFAOYSA-N 0 0 331.416 1.332 20 10 EDCDRN CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](O)C2)[NH+](C)C)cc1 ZINC000899098846 591687916 /nfs/dbraw/zinc/68/79/16/591687916.db2.gz TUXUZEAWZKMDRF-IAGOWNOFSA-N 0 0 334.464 1.522 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000895394108 591742495 /nfs/dbraw/zinc/74/24/95/591742495.db2.gz LGKQVLNTEKDZKF-WOSRLPQWSA-N 0 0 333.432 1.995 20 10 EDCDRN O=S1(=O)CC(C2CN(Cc3ccc(Br)cc3O)C2)C1 ZINC000895423646 591756344 /nfs/dbraw/zinc/75/63/44/591756344.db2.gz AGBBFOCFQQTPMG-UHFFFAOYSA-N 0 0 346.246 1.631 20 10 EDCDRN O=C([O-])[C@@H]1CSCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000901892395 591853945 /nfs/dbraw/zinc/85/39/45/591853945.db2.gz UJMCVEYLKQPVMT-HNNXBMFYSA-N 0 0 336.457 1.773 20 10 EDCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1CCNC(=O)C1 ZINC000900029419 591876315 /nfs/dbraw/zinc/87/63/15/591876315.db2.gz XPERXDNLBFEHAT-UHFFFAOYSA-N 0 0 344.459 1.067 20 10 EDCDRN COC(=O)C1CC2(C1)C[C@H](NC(=O)C1=CC(=O)CS1)CCO2 ZINC000899677269 591896560 /nfs/dbraw/zinc/89/65/60/591896560.db2.gz ASDJJEWDSCJLBD-KGXJWFGYSA-N 0 0 325.386 1.684 20 10 EDCDRN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cn(C)nn1 ZINC000902758088 592058523 /nfs/dbraw/zinc/05/85/23/592058523.db2.gz CKVFMZUIUCEUHQ-DZGCQCFKSA-N 0 0 342.447 1.368 20 10 EDCDRN COc1ccc(O)c([C@H](C)NC(=O)CCN2C(=O)C(C)=C(C)C2=O)c1 ZINC000901128310 592244082 /nfs/dbraw/zinc/24/40/82/592244082.db2.gz WIXYTALRVJGKTN-LBPRGKRZSA-N 0 0 346.383 1.673 20 10 EDCDRN CCN(C)c1ccc(Cn2nnc(C(C)(C)S(C)(=O)=O)n2)cc1 ZINC000901744096 592455217 /nfs/dbraw/zinc/45/52/17/592455217.db2.gz MJSLKRPGCXFIGO-UHFFFAOYSA-N 0 0 337.449 1.457 20 10 EDCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C1CCC(=O)CC1 ZINC000907005563 592472835 /nfs/dbraw/zinc/47/28/35/592472835.db2.gz QTRQEUGCBMYEGQ-UHFFFAOYSA-N 0 0 338.429 1.793 20 10 EDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC(=O)N1C ZINC000905456926 592540474 /nfs/dbraw/zinc/54/04/74/592540474.db2.gz PFPRJEUXYFIIIM-KRWDZBQOSA-N 0 0 345.443 1.493 20 10 EDCDRN COC[C@@H](C)NC(=O)NC(=O)CN1CCCc2cc(OC)ccc21 ZINC000027579787 592642094 /nfs/dbraw/zinc/64/20/94/592642094.db2.gz DXNWVJLLGIXEQD-GFCCVEGCSA-N 0 0 335.404 1.309 20 10 EDCDRN CC(=O)C(=O)COC(=O)[C@](C)(O)c1ccc(F)c(Br)c1 ZINC000909940386 592726037 /nfs/dbraw/zinc/72/60/37/592726037.db2.gz UBTKHWTZTHAVOF-CYBMUJFWSA-N 0 0 347.136 1.497 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC000910557821 592877514 /nfs/dbraw/zinc/87/75/14/592877514.db2.gz KYHSJXVNSLZFCZ-ZDUSSCGKSA-N 0 0 330.432 1.459 20 10 EDCDRN Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccc(O)cc1O ZINC000910945376 592905422 /nfs/dbraw/zinc/90/54/22/592905422.db2.gz UEUZLEYCCGHUFW-UHFFFAOYSA-N 0 0 329.278 1.938 20 10 EDCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC(=O)N3C)C2)cc1 ZINC000911275019 592973692 /nfs/dbraw/zinc/97/36/92/592973692.db2.gz AKBJTGGTPAITGY-YOEHRIQHSA-N 0 0 345.443 1.649 20 10 EDCDRN CN1CCCc2cc(CNC(=O)C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC000911302081 592984481 /nfs/dbraw/zinc/98/44/81/592984481.db2.gz VAGZYQYWBLRUNB-MRXNPFEDSA-N 0 0 345.443 1.482 20 10 EDCDRN Nc1ccc(CCNC(=O)c2cccn(CC(F)(F)F)c2=O)cc1 ZINC000911781796 593004117 /nfs/dbraw/zinc/00/41/17/593004117.db2.gz AFUWUFVNINFNQD-UHFFFAOYSA-N 0 0 339.317 1.965 20 10 EDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000911981007 593044805 /nfs/dbraw/zinc/04/48/05/593044805.db2.gz KYAQSZSYFDIQCM-VBAWXRRRSA-N 0 0 347.411 1.795 20 10 EDCDRN Cc1nnc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000806726981 593111990 /nfs/dbraw/zinc/11/19/90/593111990.db2.gz KRTSFXOMTRWWEJ-UHFFFAOYSA-N 0 0 347.444 1.187 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000806819504 593118346 /nfs/dbraw/zinc/11/83/46/593118346.db2.gz DMPRVLKCXBUTAY-HZPDHXFCSA-N 0 0 348.491 1.658 20 10 EDCDRN COc1ccc(N2CCC(NC(=O)N3CC(C)(CO)C3)CC2)cc1 ZINC000838190347 593138918 /nfs/dbraw/zinc/13/89/18/593138918.db2.gz CWMYNWLZRDGHAQ-UHFFFAOYSA-N 0 0 333.432 1.688 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000807099014 593144587 /nfs/dbraw/zinc/14/45/87/593144587.db2.gz IIYMLQOAFYQHDJ-GDBMZVCRSA-N 0 0 347.459 1.297 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](CO)CC(C)C ZINC000807100934 593144966 /nfs/dbraw/zinc/14/49/66/593144966.db2.gz QYCAUBXBMOQDPC-QGZVFWFLSA-N 0 0 349.475 1.543 20 10 EDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCOC1CCC1 ZINC000807161360 593149416 /nfs/dbraw/zinc/14/94/16/593149416.db2.gz LHRHRKWVKHMAAV-UHFFFAOYSA-N 0 0 347.459 1.786 20 10 EDCDRN COc1ccc(CNC(=O)C2CCN(CC(F)F)CC2)c(O)c1 ZINC000807454716 593173248 /nfs/dbraw/zinc/17/32/48/593173248.db2.gz STZLRGXZUPYMGV-UHFFFAOYSA-N 0 0 328.359 1.994 20 10 EDCDRN C[C@@H](NC(=O)C(=O)N1CCO[C@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000807677692 593189904 /nfs/dbraw/zinc/18/99/04/593189904.db2.gz RTRQSCUSLFRWOU-DYVFJYSZSA-N 0 0 345.443 1.567 20 10 EDCDRN CN(C[C@@H]1CCOC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806281760 593192735 /nfs/dbraw/zinc/19/27/35/593192735.db2.gz JBHPOLWQEHSBOT-NSHDSACASA-N 0 0 343.474 1.236 20 10 EDCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000807899913 593207415 /nfs/dbraw/zinc/20/74/15/593207415.db2.gz QZOPONPRWGJKEW-SNVBAGLBSA-N 0 0 344.458 1.388 20 10 EDCDRN CN(CCF)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838739783 593212335 /nfs/dbraw/zinc/21/23/35/593212335.db2.gz PABFMBRDYNNTAQ-UHFFFAOYSA-N 0 0 331.338 1.912 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCCNC(N)=O ZINC000839915626 593213314 /nfs/dbraw/zinc/21/33/14/593213314.db2.gz IQXCCQHWBRNERU-AWEZNQCLSA-N 0 0 334.464 1.947 20 10 EDCDRN CO[C@@H](C)CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841570362 593217923 /nfs/dbraw/zinc/21/79/23/593217923.db2.gz RPSSLUHDEXYNFX-KGLIPLIRSA-N 0 0 328.478 1.946 20 10 EDCDRN COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000808106822 593223454 /nfs/dbraw/zinc/22/34/54/593223454.db2.gz ANFZFAMFQUQVDG-UHFFFAOYSA-N 0 0 329.374 1.536 20 10 EDCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1nnn(C2CC2)c1=O ZINC000808136407 593226472 /nfs/dbraw/zinc/22/64/72/593226472.db2.gz JKWHMDPTAPHJPW-UHFFFAOYSA-N 0 0 342.447 1.855 20 10 EDCDRN CSCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)N(C)C ZINC000808438291 593258740 /nfs/dbraw/zinc/25/87/40/593258740.db2.gz BFZWAOBNBTXVJF-LBPRGKRZSA-N 0 0 327.406 1.600 20 10 EDCDRN CC(=O)C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000808484072 593261382 /nfs/dbraw/zinc/26/13/82/593261382.db2.gz HVGDNJRDQFMVFH-UHFFFAOYSA-N 0 0 330.090 1.672 20 10 EDCDRN CC(=O)C(=O)COC(=O)CCOc1cccc(Br)c1 ZINC000808489518 593261870 /nfs/dbraw/zinc/26/18/70/593261870.db2.gz TXFKGJGBRJOGBR-UHFFFAOYSA-N 0 0 329.146 1.919 20 10 EDCDRN CC(=O)C(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000808496632 593262624 /nfs/dbraw/zinc/26/26/24/593262624.db2.gz YRAVJVLCSAOICW-UHFFFAOYSA-N 0 0 335.400 1.410 20 10 EDCDRN CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C)=O)c1 ZINC000808516970 593264203 /nfs/dbraw/zinc/26/42/03/593264203.db2.gz SRVCWUXANOYRQA-UHFFFAOYSA-N 0 0 332.761 1.449 20 10 EDCDRN CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)C(C)C)ccc1F ZINC000808516633 593264217 /nfs/dbraw/zinc/26/42/17/593264217.db2.gz IZPYPUGRCQOMEM-UHFFFAOYSA-N 0 0 330.333 1.323 20 10 EDCDRN CC[C@@]1(C(=O)OCC(=O)C(C)=O)CCCN1C(=O)OC(C)(C)C ZINC000808532941 593266030 /nfs/dbraw/zinc/26/60/30/593266030.db2.gz ARCKYQXZCDDTKC-INIZCTEOSA-N 0 0 327.377 1.867 20 10 EDCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000839218901 593277969 /nfs/dbraw/zinc/27/79/69/593277969.db2.gz DBVCAECOCBSOMY-IBGZPJMESA-N 0 0 345.443 1.350 20 10 EDCDRN CC(C)C[C@@H](C(N)=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000839581004 593343317 /nfs/dbraw/zinc/34/33/17/593343317.db2.gz WPTBNTVPJNTRPT-PBHICJAKSA-N 0 0 347.459 1.848 20 10 EDCDRN CN(C)c1ccc(CNC(=O)CN(C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000839608801 593349194 /nfs/dbraw/zinc/34/91/94/593349194.db2.gz ZCMOTUBDMANOMW-HNNXBMFYSA-N 0 0 333.432 1.395 20 10 EDCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cscn1 ZINC000804020851 593382368 /nfs/dbraw/zinc/38/23/68/593382368.db2.gz MFNWBRUDSYYYPC-UHFFFAOYSA-N 0 0 333.413 1.904 20 10 EDCDRN C[C@@H]1CSC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000804504059 593420057 /nfs/dbraw/zinc/42/00/57/593420057.db2.gz OWVDHMHVBRBDQV-KCJUWKMLSA-N 0 0 330.431 1.245 20 10 EDCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCS(C)(=O)=O)c1 ZINC000762091628 593425478 /nfs/dbraw/zinc/42/54/78/593425478.db2.gz HLSDCSMIXDFBEP-MNOVXSKESA-N 0 0 344.433 1.584 20 10 EDCDRN O=C(NCCCSc1nccs1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000806282613 593436070 /nfs/dbraw/zinc/43/60/70/593436070.db2.gz NZWAZVYQPGFZNB-GFCCVEGCSA-N 0 0 339.486 2.000 20 10 EDCDRN C[C@@H]1OCCN(C(=O)C(=O)NCCCSc2nccs2)[C@H]1C ZINC000806278963 593436273 /nfs/dbraw/zinc/43/62/73/593436273.db2.gz ATAFBIRCQLLTME-QWRGUYRKSA-N 0 0 343.474 1.377 20 10 EDCDRN CS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816533770 593530061 /nfs/dbraw/zinc/53/00/61/593530061.db2.gz JEPPLGAQZRERMD-UHFFFAOYSA-N 0 0 336.816 1.698 20 10 EDCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000816600065 593534051 /nfs/dbraw/zinc/53/40/51/593534051.db2.gz 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/nfs/dbraw/zinc/62/47/15/593624715.db2.gz BXOHMFHXJZHPJT-SNVBAGLBSA-N 0 0 342.369 1.039 20 10 EDCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCc3nnnn3CC2)c1 ZINC000817805316 593635044 /nfs/dbraw/zinc/63/50/44/593635044.db2.gz FAHXHVLLDWGIES-GHMZBOCLSA-N 0 0 346.391 1.153 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CS[C@H](C)C1 ZINC000817828490 593637938 /nfs/dbraw/zinc/63/79/38/593637938.db2.gz IDSAGMOLOUHCGK-OCCSQVGLSA-N 0 0 335.473 1.687 20 10 EDCDRN COCC[C@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817851081 593641139 /nfs/dbraw/zinc/64/11/39/593641139.db2.gz JVYPCANSLREUQS-AWEZNQCLSA-N 0 0 335.448 1.500 20 10 EDCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccn(C)n1 ZINC000817853366 593641408 /nfs/dbraw/zinc/64/14/08/593641408.db2.gz MLTXWXUNTBZNCZ-CYBMUJFWSA-N 0 0 344.415 1.742 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)CC1CC1 ZINC000817859542 593641704 /nfs/dbraw/zinc/64/17/04/593641704.db2.gz GUCITZWUUWBBFY-AWEZNQCLSA-N 0 0 331.460 1.977 20 10 EDCDRN Cn1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)nn1 ZINC000815594209 593643635 /nfs/dbraw/zinc/64/36/35/593643635.db2.gz JLQYJJCTVRKPSV-UHFFFAOYSA-N 0 0 342.403 1.702 20 10 EDCDRN CN1C[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1=O ZINC000817928832 593649451 /nfs/dbraw/zinc/64/94/51/593649451.db2.gz BPRUNRBETZTDLB-LBPRGKRZSA-N 0 0 330.413 1.277 20 10 EDCDRN CN(CC(=O)NC1CC1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000818452716 593698250 /nfs/dbraw/zinc/69/82/50/593698250.db2.gz IKFDNBQTTCOJMG-UHFFFAOYSA-N 0 0 344.440 1.667 20 10 EDCDRN CC(C)OC(=O)[C@@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169103 593742451 /nfs/dbraw/zinc/74/24/51/593742451.db2.gz WOCFEECKNXALBZ-LBPRGKRZSA-N 0 0 334.372 1.744 20 10 EDCDRN CO[C@@H]1COCC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170181 593742454 /nfs/dbraw/zinc/74/24/54/593742454.db2.gz XZFIFCZNQBUISZ-UKRRQHHQSA-N 0 0 334.372 1.208 20 10 EDCDRN COc1ccc(N2CC[C@@H](CN3C(=O)N[C@@H](C4CC4)C3=O)C2)cc1 ZINC000819176986 593742932 /nfs/dbraw/zinc/74/29/32/593742932.db2.gz PUTLQHHTCRVUAX-WBMJQRKESA-N 0 0 329.400 1.852 20 10 EDCDRN CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1O ZINC000819552680 593758556 /nfs/dbraw/zinc/75/85/56/593758556.db2.gz SSKUXEICVLAEDQ-SNVBAGLBSA-N 0 0 340.376 1.055 20 10 EDCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc[n+]([O-])cc3)C2)cc1 ZINC000819580406 593759587 /nfs/dbraw/zinc/75/95/87/593759587.db2.gz JCTSJOAPEAPBHR-CQSZACIVSA-N 0 0 327.384 1.585 20 10 EDCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)NC1 ZINC000819700111 593764070 /nfs/dbraw/zinc/76/40/70/593764070.db2.gz SBPSXZFVKYHHKX-CYBMUJFWSA-N 0 0 348.399 1.200 20 10 EDCDRN COc1ccc(N2CC[C@H](CNc3nccn4nnnc34)C2)cc1 ZINC000819935575 593778116 /nfs/dbraw/zinc/77/81/16/593778116.db2.gz NHEBDCBMWLLHLU-GFCCVEGCSA-N 0 0 325.376 1.466 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1=CCS(=O)(=O)C1 ZINC000823664550 593828625 /nfs/dbraw/zinc/82/86/25/593828625.db2.gz XAZKLMKIFJKLJK-ZDUSSCGKSA-N 0 0 336.457 1.463 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C(N)=O)C(C)C ZINC000840481721 593835615 /nfs/dbraw/zinc/83/56/15/593835615.db2.gz MEEPGUKPLFLAOQ-CZUORRHYSA-N 0 0 334.464 1.801 20 10 EDCDRN COCC[C@@H](CO)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840481822 593837371 /nfs/dbraw/zinc/83/73/71/593837371.db2.gz NVFBGHLOOZJHQR-ZBFHGGJFSA-N 0 0 337.464 1.689 20 10 EDCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@]3(C)CCN(C)C3=O)C2)cc1 ZINC000823776554 593856157 /nfs/dbraw/zinc/85/61/57/593856157.db2.gz RVGPBCVJEASTNF-IFXJQAMLSA-N 0 0 345.443 1.506 20 10 EDCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@]3(C)CCN(C)C3=O)C2)cc1 ZINC000823776556 593856416 /nfs/dbraw/zinc/85/64/16/593856416.db2.gz RVGPBCVJEASTNF-KUHUBIRLSA-N 0 0 345.443 1.506 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000840484533 593928168 /nfs/dbraw/zinc/92/81/68/593928168.db2.gz PLKMHHXJXJIDKD-DAYGRLMNSA-N 0 0 349.475 1.783 20 10 EDCDRN Cc1cnc2nc(C(=O)NCc3ccc(N(C)C)c(F)c3)nn2c1 ZINC000824669371 594053298 /nfs/dbraw/zinc/05/32/98/594053298.db2.gz KGFNQQSHIIAYCH-UHFFFAOYSA-N 0 0 328.351 1.568 20 10 EDCDRN 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/nfs/dbraw/zinc/17/11/87/695171187.db2.gz NYVFAOHNDKGGDA-LZNQSLFOSA-N 0 0 343.427 1.521 20 10 EDCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000914440338 695548245 /nfs/dbraw/zinc/54/82/45/695548245.db2.gz WPDDBAKECUNMTF-CQSZACIVSA-N 0 0 336.457 1.678 20 10 EDCDRN CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914614204 695595423 /nfs/dbraw/zinc/59/54/23/695595423.db2.gz UUSOFQZBFAJGPE-LBPRGKRZSA-N 0 0 344.371 1.490 20 10 EDCDRN CN(C)c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000154077709 696681696 /nfs/dbraw/zinc/68/16/96/696681696.db2.gz XVEYFRPPMTYTBJ-ZDUSSCGKSA-N 0 0 329.441 1.405 20 10 EDCDRN CSCCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000917833920 697084037 /nfs/dbraw/zinc/08/40/37/697084037.db2.gz VRNQRTDLECHZPV-AWEZNQCLSA-N 0 0 335.473 1.758 20 10 EDCDRN CNC(=O)CCCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000918234612 697144725 /nfs/dbraw/zinc/14/47/25/697144725.db2.gz BAYSCAVWTUJZBP-UHFFFAOYSA-N 0 0 348.447 1.443 20 10 EDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc[nH]1 ZINC000918335504 697153390 /nfs/dbraw/zinc/15/33/90/697153390.db2.gz NIBUOGCLBXAJNK-UHFFFAOYSA-N 0 0 333.413 1.180 20 10 EDCDRN COC(=O)c1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)n(C)c1 ZINC000918882608 697220032 /nfs/dbraw/zinc/22/00/32/697220032.db2.gz MSTPYQBBRVWUQL-UHFFFAOYSA-N 0 0 336.369 1.222 20 10 EDCDRN COC[C@@H]1COCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919918987 697367669 /nfs/dbraw/zinc/36/76/69/697367669.db2.gz UADRJWFABUHMTE-QGZVFWFLSA-N 0 0 331.416 1.620 20 10 EDCDRN C[C@@H](NC(=O)CN1CCCCC1=O)c1ccc(N2CCOCC2)cc1 ZINC000920880923 697489579 /nfs/dbraw/zinc/48/95/79/697489579.db2.gz PJADSGFRIKWGNS-OAHLLOKOSA-N 0 0 345.443 1.713 20 10 EDCDRN CCC1(C(=O)N2CC[C@H](NC(=O)c3cc(OC)nc(OC)c3)C2)CC1 ZINC000938311207 697822257 /nfs/dbraw/zinc/82/22/57/697822257.db2.gz PZZGDZZCZRDPML-ZDUSSCGKSA-N 0 0 347.415 1.620 20 10 EDCDRN CNC(=O)c1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180917037 699051176 /nfs/dbraw/zinc/05/11/76/699051176.db2.gz HGRQXYGCUZTIGY-SOFGYWHQSA-N 0 0 326.352 1.787 20 10 EDCDRN COc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)C3CC3)C2)cc(OC)n1 ZINC000941654361 701605907 /nfs/dbraw/zinc/60/59/07/701605907.db2.gz YDVVHKCVXNJBGB-BXUZGUMPSA-N 0 0 347.415 1.476 20 10 EDCDRN CNC(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183452806 701666591 /nfs/dbraw/zinc/66/65/91/701666591.db2.gz MVXVWQIDAUELOS-NSHDSACASA-N 0 0 328.368 1.818 20 10 EDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccn(C)n1 ZINC000073364269 701360363 /nfs/dbraw/zinc/36/03/63/701360363.db2.gz DMMJHNCDGDQRQO-UHFFFAOYSA-N 0 0 329.404 1.921 20 10 EDCDRN COC(=O)COc1ccc(N(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000183804121 702643610 /nfs/dbraw/zinc/64/36/10/702643610.db2.gz TXVSRLPVDMAWCN-UHFFFAOYSA-N 0 0 328.368 1.974 20 10 EDCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CCC1(O)CCOCC1 ZINC000925338748 702736195 /nfs/dbraw/zinc/73/61/95/702736195.db2.gz OQLBGFJERYUXNT-UHFFFAOYSA-N 0 0 334.372 1.088 20 10 EDCDRN CCC(C)(C)C(=O)N1CC(NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC000996369138 702737830 /nfs/dbraw/zinc/73/78/30/702737830.db2.gz RLKKLQREXYVFHM-UHFFFAOYSA-N 0 0 335.404 1.476 20 10 EDCDRN CC(=O)N[C@@H]1CCCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000943014004 703501244 /nfs/dbraw/zinc/50/12/44/703501244.db2.gz BBUWKQIYRAUKJK-CQSZACIVSA-N 0 0 331.376 1.980 20 10 EDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000186428199 706775918 /nfs/dbraw/zinc/77/59/18/706775918.db2.gz FQMITKYJSJRYJR-VIFPVBQESA-N 0 0 327.340 1.628 20 10 EDCDRN CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC000997642023 703947914 /nfs/dbraw/zinc/94/79/14/703947914.db2.gz PFAFBTLDAXZCDB-RDBSUJKOSA-N 0 0 329.360 1.731 20 10 EDCDRN Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)CCO1 ZINC000922797603 704363087 /nfs/dbraw/zinc/36/30/87/704363087.db2.gz DIEZZMKAAICMNJ-ABAIWWIYSA-N 0 0 348.378 1.984 20 10 EDCDRN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2cccc(F)c2[O-])C1 ZINC000702811430 709856145 /nfs/dbraw/zinc/85/61/45/709856145.db2.gz RCZJBBFULXAYNR-JSGCOSHPSA-N 0 0 340.395 1.849 20 10 EDCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000053508034 529779842 /nfs/dbraw/zinc/77/98/42/529779842.db2.gz OELFYIGBTYCGBV-ZDUSSCGKSA-N 0 0 325.434 1.081 20 10 EDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCC[C@H]1O ZINC000103309785 237045137 /nfs/dbraw/zinc/04/51/37/237045137.db2.gz KCZMINQLCPCNPK-IAGOWNOFSA-N 0 0 333.432 1.626 20 10 EDCDRN O=C(CNC(=O)NCc1ccc(N2CC=CC2)cc1)N1CCCCC1 ZINC000125828074 237169733 /nfs/dbraw/zinc/16/97/33/237169733.db2.gz KUYRYIIYZOXKLT-UHFFFAOYSA-N 0 0 342.443 1.875 20 10 EDCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cn2)CCO1 ZINC000237661322 249303160 /nfs/dbraw/zinc/30/31/60/249303160.db2.gz YLBKFLLDSQDXBH-AWEZNQCLSA-N 0 0 340.427 1.748 20 10 EDCDRN O=C(NCc1ccccc1O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000287217168 249673603 /nfs/dbraw/zinc/67/36/03/249673603.db2.gz GMZSVAKUERJHGK-CYBMUJFWSA-N 0 0 347.337 1.455 20 10 EDCDRN COc1cc([N+](=O)[O-])c(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1OC ZINC000290674563 249722329 /nfs/dbraw/zinc/72/23/29/249722329.db2.gz IJQVYJWVKCBSSA-NXEZZACHSA-N 0 0 344.389 1.624 20 10 EDCDRN CCN(CC)c1ccc(CNC(=O)N2CCOC[C@@H](O)C2)cc1F ZINC000297291120 249764001 /nfs/dbraw/zinc/76/40/01/249764001.db2.gz PYVAYRXDCNRABK-AWEZNQCLSA-N 0 0 339.411 1.575 20 10 EDCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000359792998 250156812 /nfs/dbraw/zinc/15/68/12/250156812.db2.gz KXUVJPITZQBLJK-CQSZACIVSA-N 0 0 343.427 1.740 20 10 EDCDRN COC[C@H]1CCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000359782913 250157056 /nfs/dbraw/zinc/15/70/56/250157056.db2.gz AASAXFXYWSFIMF-AWEZNQCLSA-N 0 0 343.427 1.598 20 10 EDCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@@H]1CCOC1 ZINC000359785113 250157372 /nfs/dbraw/zinc/15/73/72/250157372.db2.gz CVNNCMDUWNQBDC-AWEZNQCLSA-N 0 0 343.427 1.598 20 10 EDCDRN CNC(=O)C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000367374799 250194058 /nfs/dbraw/zinc/19/40/58/250194058.db2.gz MJOWOKNQUXRBHB-UHFFFAOYSA-N 0 0 345.321 1.416 20 10 EDCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)c2ccccc21 ZINC000367935593 250196720 /nfs/dbraw/zinc/19/67/20/250196720.db2.gz XAKFGEBSMMMOEA-CYBMUJFWSA-N 0 0 326.352 1.864 20 10 EDCDRN CN1CCc2cc(CNC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)ccc21 ZINC000372455329 250221082 /nfs/dbraw/zinc/22/10/82/250221082.db2.gz RBGPXSVJJNHIQE-NVXWUHKLSA-N 0 0 342.443 1.632 20 10 EDCDRN CNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000372447012 250221786 /nfs/dbraw/zinc/22/17/86/250221786.db2.gz ONTBVPSBIMQEGU-OAHLLOKOSA-N 0 0 330.432 1.347 20 10 EDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN[C@@H](c2cccnc2)C1 ZINC000374359259 250262128 /nfs/dbraw/zinc/26/21/28/250262128.db2.gz ISMCLILWDIOERY-CSPWOOARSA-N 0 0 325.368 1.679 20 10 EDCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175025021 207085367 /nfs/dbraw/zinc/08/53/67/207085367.db2.gz JHFBRSFKWJVUDI-AWEZNQCLSA-N 0 0 347.375 1.117 20 10 EDCDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1CCN(C)CC1 ZINC000101663191 533283544 /nfs/dbraw/zinc/28/35/44/533283544.db2.gz INXADHPKJVQXKU-HNNXBMFYSA-N 0 0 330.476 1.321 20 10 EDCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2COC[C@H]2n2ccnn2)cc1 ZINC000286930914 289408100 /nfs/dbraw/zinc/40/81/00/289408100.db2.gz MQZVGYQRWKZJKM-JKSUJKDBSA-N 0 0 344.419 1.126 20 10 EDCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](c4nnc[nH]4)C3)cc2N1 ZINC000378218279 447409056 /nfs/dbraw/zinc/40/90/56/447409056.db2.gz OFYNJXPWPMOGGT-VIFPVBQESA-N 0 0 344.331 1.428 20 10 EDCDRN CCN1CCO[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000072796203 441260209 /nfs/dbraw/zinc/26/02/09/441260209.db2.gz FNKXVWHJXVHQJX-QGZVFWFLSA-N 0 0 333.432 1.065 20 10 EDCDRN CN(C)c1ccc(CNC(=O)CN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083444721 441360474 /nfs/dbraw/zinc/36/04/74/441360474.db2.gz HRUKZMFSKLLFFX-UHFFFAOYSA-N 0 0 342.447 1.367 20 10 EDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)OC(C)(C)C1)cc2=O ZINC000065422837 441431381 /nfs/dbraw/zinc/43/13/81/441431381.db2.gz JZGJGKFVQDAJPD-LLVKDONJSA-N 0 0 348.403 1.611 20 10 EDCDRN Cc1nccn1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000052295858 441445604 /nfs/dbraw/zinc/44/56/04/441445604.db2.gz VSZFAWZQPLGEPY-UHFFFAOYSA-N 0 0 343.431 1.528 20 10 EDCDRN CN(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)o1 ZINC000053916154 441548272 /nfs/dbraw/zinc/54/82/72/441548272.db2.gz YTEHUHBQGHGJQL-UHFFFAOYSA-N 0 0 338.385 1.508 20 10 EDCDRN COc1ccc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)cc1 ZINC000054800774 441599336 /nfs/dbraw/zinc/59/93/36/441599336.db2.gz IGCJNKGRBJEJAA-UHFFFAOYSA-N 0 0 328.416 1.710 20 10 EDCDRN CCN(CC)c1ccc(CN2CC[C@H](S(=O)(=O)NC)C2)cc1F ZINC000092067894 441767917 /nfs/dbraw/zinc/76/79/17/441767917.db2.gz WYIJEEJRPLITNS-AWEZNQCLSA-N 0 0 343.468 1.795 20 10 EDCDRN CN1C[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1=O ZINC000117975240 441882935 /nfs/dbraw/zinc/88/29/35/441882935.db2.gz GARXXFACOGGTNP-CABCVRRESA-N 0 0 332.400 1.378 20 10 EDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H]1CO ZINC000118570462 441897958 /nfs/dbraw/zinc/89/79/58/441897958.db2.gz LJVFICDUIUOGSD-CQSZACIVSA-N 0 0 337.395 1.329 20 10 EDCDRN Cn1c(=O)cccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000160894408 441934128 /nfs/dbraw/zinc/93/41/28/441934128.db2.gz ANFKEKHNHRCVRH-UHFFFAOYSA-N 0 0 327.384 1.152 20 10 EDCDRN CCOc1ccc(O)c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000161025162 441948004 /nfs/dbraw/zinc/94/80/04/441948004.db2.gz QXFVNQVPMZZYMG-QGZVFWFLSA-N 0 0 334.416 1.614 20 10 EDCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000162022911 442057116 /nfs/dbraw/zinc/05/71/16/442057116.db2.gz SVDMXPSRRYVRAI-INIZCTEOSA-N 0 0 342.447 1.966 20 10 EDCDRN Nc1ccc(CCNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000152509585 442220796 /nfs/dbraw/zinc/22/07/96/442220796.db2.gz WCEMEQPXYJURTD-UHFFFAOYSA-N 0 0 344.415 1.182 20 10 EDCDRN CC(C)[C@H](O)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000153806212 442304061 /nfs/dbraw/zinc/30/40/61/442304061.db2.gz CZIPTCGXHPLCNS-MRXNPFEDSA-N 0 0 339.411 1.478 20 10 EDCDRN COc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)c1 ZINC000172044095 442403974 /nfs/dbraw/zinc/40/39/74/442403974.db2.gz WVHDJOYJMJOITR-PWSUYJOCSA-N 0 0 346.305 1.474 20 10 EDCDRN 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Cc1cccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000788131259 579280463 /nfs/dbraw/zinc/28/04/63/579280463.db2.gz OAACGUDKTKTYQG-UHFFFAOYSA-N 0 0 340.427 1.697 20 10 EDCDRN Cc1nc(NC(=O)Cc2ccc(N)cc2)sc1SCC(N)=O ZINC000746326892 579587549 /nfs/dbraw/zinc/58/75/49/579587549.db2.gz HKZYXSVDEGTSSO-UHFFFAOYSA-N 0 0 336.442 1.792 20 10 EDCDRN COCCCCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000746777437 579610084 /nfs/dbraw/zinc/61/00/84/579610084.db2.gz PYXYVNXBIWDJCT-INIZCTEOSA-N 0 0 347.459 1.821 20 10 EDCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2(CS(C)(=O)=O)CC2)c1 ZINC000746887808 579614549 /nfs/dbraw/zinc/61/45/49/579614549.db2.gz ZHEOFMNVVXSENV-LLVKDONJSA-N 0 0 341.429 1.793 20 10 EDCDRN CC[C@@H]1NC(=O)N(Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O ZINC000777609093 580446364 /nfs/dbraw/zinc/44/63/64/580446364.db2.gz AURDPJHRFLBTTN-HIFRSBDPSA-N 0 0 344.415 1.219 20 10 EDCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CN(C)NC1=O ZINC000777823126 580451426 /nfs/dbraw/zinc/45/14/26/580451426.db2.gz 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COc1ccc(O)c([C@H](C)NC(=O)c2c(OC)ncnc2OC)c1 ZINC000761971753 580064529 /nfs/dbraw/zinc/06/45/29/580064529.db2.gz BJXBJEMHAJBWMB-VIFPVBQESA-N 0 0 333.344 1.699 20 10 EDCDRN CC(C)(C)n1cc(C(=O)C(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000762274815 580071253 /nfs/dbraw/zinc/07/12/53/580071253.db2.gz KHJXPFSTUQXAHU-UHFFFAOYSA-N 0 0 331.372 1.591 20 10 EDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2c(C)noc2C2CC2)c1 ZINC000768167042 580208169 /nfs/dbraw/zinc/20/81/69/580208169.db2.gz SITDKUNIUOAHGS-UHFFFAOYSA-N 0 0 345.355 1.830 20 10 EDCDRN CCN(CC)C(=O)CN1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768214516 580209113 /nfs/dbraw/zinc/20/91/13/580209113.db2.gz CSXRTPXYPKQTEY-UHFFFAOYSA-N 0 0 335.448 1.387 20 10 EDCDRN C[C@H]1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](C)O1 ZINC000768579225 580216633 /nfs/dbraw/zinc/21/66/33/580216633.db2.gz DTSKKNMSMZSSNV-UWVGGRQHSA-N 0 0 342.417 1.450 20 10 EDCDRN Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1ccccc1O ZINC000769362803 580234606 /nfs/dbraw/zinc/23/46/06/580234606.db2.gz KICOEYIQIDXKQX-UHFFFAOYSA-N 0 0 326.399 1.340 20 10 EDCDRN COc1ncccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769708298 580243399 /nfs/dbraw/zinc/24/33/99/580243399.db2.gz CQRNZZRXHQICHS-UHFFFAOYSA-N 0 0 337.357 1.420 20 10 EDCDRN Cc1cc(C(=O)N(C)CCNC(=O)N(C)C)c(C)n1-c1ccccn1 ZINC000770464696 580261467 /nfs/dbraw/zinc/26/14/67/580261467.db2.gz MIYKEWDSRGZBPI-UHFFFAOYSA-N 0 0 343.431 1.832 20 10 EDCDRN COc1cccc(CNc2cccc(C(=O)NCCC(N)=O)c2)c1O ZINC000770558759 580264581 /nfs/dbraw/zinc/26/45/81/580264581.db2.gz DFUOHDHLPNKTKE-UHFFFAOYSA-N 0 0 343.383 1.618 20 10 EDCDRN Cc1cc(C(=O)NCCc2nnnn2C)c(C)n1-c1ccc(F)cc1 ZINC000771777386 580293745 /nfs/dbraw/zinc/29/37/45/580293745.db2.gz TXPIKXAJBNVAEP-UHFFFAOYSA-N 0 0 342.378 1.729 20 10 EDCDRN COCCOCCS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773085950 580326583 /nfs/dbraw/zinc/32/65/83/580326583.db2.gz AORZNJWFGQLEDL-CYBMUJFWSA-N 0 0 330.450 1.396 20 10 EDCDRN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000773087245 580326660 /nfs/dbraw/zinc/32/66/60/580326660.db2.gz 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COc1c(O)c(CN2C[C@H](C)S(=O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775116776 580383206 /nfs/dbraw/zinc/38/32/06/580383206.db2.gz WTDRYZARHDJMCI-UWVGGRQHSA-N 0 0 328.390 1.650 20 10 EDCDRN COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000776869047 580430234 /nfs/dbraw/zinc/43/02/34/580430234.db2.gz UXKAKIAFSOVKBQ-DJSGYFEHSA-N 0 0 340.376 1.772 20 10 EDCDRN CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000778919502 580475600 /nfs/dbraw/zinc/47/56/00/580475600.db2.gz GAASGCPFUKHVKF-HWKANZROSA-N 0 0 327.340 1.182 20 10 EDCDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778927574 580475757 /nfs/dbraw/zinc/47/57/57/580475757.db2.gz PFGBYXZQOLFQIT-UHFFFAOYSA-N 0 0 344.371 1.802 20 10 EDCDRN CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000779474524 580486564 /nfs/dbraw/zinc/48/65/64/580486564.db2.gz AGZZCHREAAPHKG-BPJJOFIESA-N 0 0 339.413 1.537 20 10 EDCDRN NC(=O)COc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779474759 580486567 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CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000780930125 580537830 /nfs/dbraw/zinc/53/78/30/580537830.db2.gz CZCQNOHOJZJGLZ-GFCCVEGCSA-N 0 0 336.388 1.766 20 10 EDCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1O ZINC000780948455 580538479 /nfs/dbraw/zinc/53/84/79/580538479.db2.gz FHKOGRSOWOYBEC-GHMZBOCLSA-N 0 0 327.402 1.492 20 10 EDCDRN Cc1ccc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000780955210 580538674 /nfs/dbraw/zinc/53/86/74/580538674.db2.gz LGSSDUPMLQBCFY-GFCCVEGCSA-N 0 0 337.372 1.589 20 10 EDCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000781910263 580560111 /nfs/dbraw/zinc/56/01/11/580560111.db2.gz NBTRTRWJZYTXSK-SNVBAGLBSA-N 0 0 328.210 1.706 20 10 EDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(O)cc2F)c1 ZINC000782160101 580568111 /nfs/dbraw/zinc/56/81/11/580568111.db2.gz JOPDLQKXRUEQFD-UHFFFAOYSA-N 0 0 340.332 1.861 20 10 EDCDRN C[C@H](OC[C@@H]1CCCCO1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783235013 580596243 /nfs/dbraw/zinc/59/62/43/580596243.db2.gz NRVULNRQMNHQGO-AAEUAGOBSA-N 0 0 338.356 1.798 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCn1c(C)cc(O)cc1=O ZINC000783636176 580603127 /nfs/dbraw/zinc/60/31/27/580603127.db2.gz FFIGHUJAINRUPR-UHFFFAOYSA-N 0 0 343.427 1.943 20 10 EDCDRN COC(=O)COc1ccc(N(C)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000784563090 580623961 /nfs/dbraw/zinc/62/39/61/580623961.db2.gz IUOCCCZJFQFCBJ-GFCCVEGCSA-N 0 0 329.418 1.355 20 10 EDCDRN COCCn1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)n1 ZINC000784642817 580625440 /nfs/dbraw/zinc/62/54/40/580625440.db2.gz IKBTVUMPGLLKGT-UHFFFAOYSA-N 0 0 334.328 1.289 20 10 EDCDRN CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785428833 580643849 /nfs/dbraw/zinc/64/38/49/580643849.db2.gz SWKTWCRQUIFAMO-ZFWWWQNUSA-N 0 0 333.432 1.395 20 10 EDCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cncc(F)c1 ZINC000785429313 580643907 /nfs/dbraw/zinc/64/39/07/580643907.db2.gz ZUTOAHDOGLHOLU-LBPRGKRZSA-N 0 0 344.390 1.780 20 10 EDCDRN COC(=O)c1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccn1 ZINC000786248774 580665263 /nfs/dbraw/zinc/66/52/63/580665263.db2.gz GMEDLRYKYGREGP-UHFFFAOYSA-N 0 0 331.280 1.319 20 10 EDCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1CS(=O)(=O)C1 ZINC000786842987 580680978 /nfs/dbraw/zinc/68/09/78/580680978.db2.gz UCDMULNAJGLGGT-UHFFFAOYSA-N 0 0 340.445 1.749 20 10 EDCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)cc1F ZINC000786927621 580684115 /nfs/dbraw/zinc/68/41/15/580684115.db2.gz GOQFAVTYTALTLS-KRWDZBQOSA-N 0 0 348.422 1.625 20 10 EDCDRN Cc1nc(Cn2nnc(C(=O)N(C)Cc3ccccc3O)c2C)no1 ZINC000787424275 580695071 /nfs/dbraw/zinc/69/50/71/580695071.db2.gz IVGFXRFLWSYKAO-UHFFFAOYSA-N 0 0 342.359 1.304 20 10 EDCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cccc(=O)[nH]2)cc1 ZINC000787544493 580697526 /nfs/dbraw/zinc/69/75/26/580697526.db2.gz LKLKLBXCENXFJQ-UHFFFAOYSA-N 0 0 343.383 1.669 20 10 EDCDRN C[C@H](NC(=O)C(=O)NCc1cccn1C)c1ccc(N(C)C)cc1 ZINC000788334905 580717593 /nfs/dbraw/zinc/71/75/93/580717593.db2.gz HMIHEHLXMIHQMN-ZDUSSCGKSA-N 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580899888 /nfs/dbraw/zinc/89/98/88/580899888.db2.gz QJDXMESXSFEXME-UHFFFAOYSA-N 0 0 334.416 1.729 20 10 EDCDRN COCC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000795341763 580919557 /nfs/dbraw/zinc/91/95/57/580919557.db2.gz LFMSOFIUGPYWEV-UHFFFAOYSA-N 0 0 338.315 1.834 20 10 EDCDRN CCc1ccnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000798064436 580986889 /nfs/dbraw/zinc/98/68/89/580986889.db2.gz VHZYZNBEUPANOS-UHFFFAOYSA-N 0 0 349.412 1.651 20 10 EDCDRN C[C@@H]1CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000799061054 581015103 /nfs/dbraw/zinc/01/51/03/581015103.db2.gz JTJMJOXAHWBMRL-GHMZBOCLSA-N 0 0 326.418 1.930 20 10 EDCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3n[nH]cc3C)cc2)CC1 ZINC000799424959 581027784 /nfs/dbraw/zinc/02/77/84/581027784.db2.gz FKXMZNVJNBOQRT-UHFFFAOYSA-N 0 0 341.415 1.317 20 10 EDCDRN CC(C)COCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000800149210 581045183 /nfs/dbraw/zinc/04/51/83/581045183.db2.gz PBEQTDONRXNBRY-UHFFFAOYSA-N 0 0 331.390 1.593 20 10 EDCDRN CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000800310430 581050277 /nfs/dbraw/zinc/05/02/77/581050277.db2.gz ZHTDDGQABGKCDJ-MFKMUULPSA-N 0 0 343.405 1.108 20 10 EDCDRN O=C(NCc1cc(Br)ccc1O)c1[nH]ncc1[N+](=O)[O-] ZINC000804737580 590756450 /nfs/dbraw/zinc/75/64/50/590756450.db2.gz TVPPYNBUXYNAGB-UHFFFAOYSA-N 0 0 341.121 1.716 20 10 EDCDRN C[C@@]1(C(=O)NCc2cc(Br)ccc2O)CCC(=O)NC1 ZINC000804741202 590757345 /nfs/dbraw/zinc/75/73/45/590757345.db2.gz UWMASKRKTRWTAI-CQSZACIVSA-N 0 0 341.205 1.687 20 10 EDCDRN C[C@]1(NC(=O)NCc2ccc(N3CCSCC3)cc2)CCNC1=O ZINC000892031216 590759538 /nfs/dbraw/zinc/75/95/38/590759538.db2.gz IHAYKBNOVFTBHY-KRWDZBQOSA-N 0 0 348.472 1.318 20 10 EDCDRN COC(=O)[C@]12CCC[C@H]1N(C(=O)NCCc1ccc(N)cc1)CC2 ZINC000892039718 590765646 /nfs/dbraw/zinc/76/56/46/590765646.db2.gz XXHTXYLEDWJGDK-QAPCUYQASA-N 0 0 331.416 1.939 20 10 EDCDRN COc1ccc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(O)c1OC ZINC000892083340 590790354 /nfs/dbraw/zinc/79/03/54/590790354.db2.gz 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/nfs/dbraw/zinc/14/82/67/591148267.db2.gz OTYAEJIYKBOCLM-UHFFFAOYSA-N 0 0 329.404 1.460 20 10 EDCDRN CCOC(=O)[C@@H](F)C1CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894610398 591359658 /nfs/dbraw/zinc/35/96/58/591359658.db2.gz MVHPIKRGBKDRSL-ZDUSSCGKSA-N 0 0 327.352 1.742 20 10 EDCDRN COC(C)(C)CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894592979 591361471 /nfs/dbraw/zinc/36/14/71/591361471.db2.gz NPRZTIKDXXDOQL-UHFFFAOYSA-N 0 0 347.459 1.820 20 10 EDCDRN CC(C)OCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894595548 591362655 /nfs/dbraw/zinc/36/26/55/591362655.db2.gz HSQWUOGBRZHQJI-UHFFFAOYSA-N 0 0 347.459 1.820 20 10 EDCDRN COC(=O)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000896151936 591364630 /nfs/dbraw/zinc/36/46/30/591364630.db2.gz IOALYTWNSFQATF-NSHDSACASA-N 0 0 337.353 1.327 20 10 EDCDRN COCc1nc(NCc2ccc(N3CCC(O)CC3)cc2)cc(=O)[nH]1 ZINC000894614185 591366206 /nfs/dbraw/zinc/36/62/06/591366206.db2.gz YAZJMNMFMZKUJV-UHFFFAOYSA-N 0 0 344.415 1.902 20 10 EDCDRN CCS(=O)(=O)N1CCN(Cc2cc(C)cc(OC)c2O)[C@H](C)C1 ZINC000894759558 591406601 /nfs/dbraw/zinc/40/66/01/591406601.db2.gz BFQALYVNHHRPPS-CYBMUJFWSA-N 0 0 342.461 1.565 20 10 EDCDRN COC(=O)c1c(CN2CN(C)C(=O)[C@@H]2C)c2cc(F)ccc2n1C ZINC000895083954 591575029 /nfs/dbraw/zinc/57/50/29/591575029.db2.gz NKDDITDZTIQTDT-JTQLQIEISA-N 0 0 333.363 1.724 20 10 EDCDRN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895113242 591595311 /nfs/dbraw/zinc/59/53/11/591595311.db2.gz HQVRUCWWBOBTPD-MJBXVCDLSA-N 0 0 335.423 1.760 20 10 EDCDRN COc1ccc(N2CC[C@@H](NC(=S)Nc3cnn(C)c3)C2)cc1 ZINC000899538262 591842289 /nfs/dbraw/zinc/84/22/89/591842289.db2.gz JGPIKYDPIBDAQS-GFCCVEGCSA-N 0 0 331.445 1.994 20 10 EDCDRN COC(=O)[C@@](C)(Cn1cccn1)NCc1ccc(N(C)C)c(F)c1 ZINC000898340726 591877819 /nfs/dbraw/zinc/87/78/19/591877819.db2.gz SLGOWYXORRFHJW-QGZVFWFLSA-N 0 0 334.395 1.810 20 10 EDCDRN CCN(CC(=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000900314345 591986424 /nfs/dbraw/zinc/98/64/24/591986424.db2.gz YCUCYLSFGCJXMX-OAHLLOKOSA-N 0 0 336.436 1.471 20 10 EDCDRN COC(=O)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000906836084 592361425 /nfs/dbraw/zinc/36/14/25/592361425.db2.gz WQXXTYHJFSRQSA-NSHDSACASA-N 0 0 342.342 1.936 20 10 EDCDRN CN(C)c1ccc([C@H](CNC(=O)c2cc(C(=O)[O-])on2)[NH+](C)C)cc1 ZINC000908352769 592459009 /nfs/dbraw/zinc/45/90/09/592459009.db2.gz UNCGDRLBFXCJGH-AWEZNQCLSA-N 0 0 346.387 1.472 20 10 EDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1(O)CCOCC1 ZINC000905456544 592540568 /nfs/dbraw/zinc/54/05/68/592540568.db2.gz JVOQYDKATURYKF-UHFFFAOYSA-N 0 0 348.443 1.413 20 10 EDCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCS(N)(=O)=O ZINC000906344803 592799599 /nfs/dbraw/zinc/79/95/99/592799599.db2.gz IUWWOVSTCXOIHF-UHFFFAOYSA-N 0 0 341.477 1.558 20 10 EDCDRN COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000731910715 592928411 /nfs/dbraw/zinc/92/84/11/592928411.db2.gz BAGKBHVPGVFPGV-SNVBAGLBSA-N 0 0 329.374 1.314 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)CS(=O)(=O)CC(C)C ZINC000734405108 592961676 /nfs/dbraw/zinc/96/16/76/592961676.db2.gz CDYSUJUVUKIVAR-UHFFFAOYSA-N 0 0 326.462 1.748 20 10 EDCDRN Nc1ccc(CCNC(=O)Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000911783461 593004540 /nfs/dbraw/zinc/00/45/40/593004540.db2.gz UGTYMBBVILZGEX-UHFFFAOYSA-N 0 0 326.322 1.929 20 10 EDCDRN C[C@H](NC(N)=O)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912107485 593062192 /nfs/dbraw/zinc/06/21/92/593062192.db2.gz UZOXTSFOCBJVIL-JTQLQIEISA-N 0 0 346.353 1.700 20 10 EDCDRN Cc1c(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1C ZINC000805700126 593125777 /nfs/dbraw/zinc/12/57/77/593125777.db2.gz FZWGWEZUQSTLOS-LBPRGKRZSA-N 0 0 343.431 1.288 20 10 EDCDRN C[C@@]1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCOC1 ZINC000806034028 593181741 /nfs/dbraw/zinc/18/17/41/593181741.db2.gz SYTHORSYFSKJEA-IBGZPJMESA-N 0 0 343.427 1.222 20 10 EDCDRN CC(C)N(C[C@H](C)O)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807670735 593188632 /nfs/dbraw/zinc/18/86/32/593188632.db2.gz 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0 0 332.322 1.657 20 10 EDCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000158913940 441771909 /nfs/dbraw/zinc/77/19/09/441771909.db2.gz TXFVSIXLIQPOGV-SFHVURJKSA-N 0 0 342.395 1.615 20 10 EDCDRN Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000121909417 441808358 /nfs/dbraw/zinc/80/83/58/441808358.db2.gz HDQHJDOBPUJGGT-UHFFFAOYSA-N 0 0 340.427 1.918 20 10 EDCDRN COc1cccc(CNS(=O)(=O)c2cn(C)c(Cl)n2)c1O ZINC000161102261 441958268 /nfs/dbraw/zinc/95/82/68/441958268.db2.gz MTDFYHWRHKNGDI-UHFFFAOYSA-N 0 0 331.781 1.266 20 10 EDCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000152182925 442177522 /nfs/dbraw/zinc/17/75/22/442177522.db2.gz LUFFYRPACQYYIG-OAHLLOKOSA-N 0 0 325.368 1.629 20 10 EDCDRN C[C@@H]1OCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000164000970 442188107 /nfs/dbraw/zinc/18/81/07/442188107.db2.gz HUHHJDPVDGGYRJ-GJZGRUSLSA-N 0 0 333.432 1.842 20 10 EDCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000153365048 442278456 /nfs/dbraw/zinc/27/84/56/442278456.db2.gz QUCIWRCQDHMYFM-OAHLLOKOSA-N 0 0 339.395 1.938 20 10 EDCDRN Cc1nnnn1-c1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000179428677 442455959 /nfs/dbraw/zinc/45/59/59/442455959.db2.gz PBOAIKWGJAOBNL-UHFFFAOYSA-N 0 0 325.328 1.943 20 10 EDCDRN Cc1ncc(CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1 ZINC000178883003 442513120 /nfs/dbraw/zinc/51/31/20/442513120.db2.gz AVMVCQFSRTZBKY-UHFFFAOYSA-N 0 0 330.457 1.921 20 10 EDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC000180713844 442651411 /nfs/dbraw/zinc/65/14/11/442651411.db2.gz NOQAGEIUKFTVJR-CXAGYDPISA-N 0 0 347.459 1.377 20 10 EDCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NOC[C@@H]1CCOC1 ZINC000187987399 442701653 /nfs/dbraw/zinc/70/16/53/442701653.db2.gz SDOHPFOBZGWAJM-WUTVXBCWSA-N 0 0 332.400 1.621 20 10 EDCDRN CN1CCCc2cc(CNC(=O)N3CCO[C@@]4(CCOC4)C3)ccc21 ZINC000187238452 442663006 /nfs/dbraw/zinc/66/30/06/442663006.db2.gz REHUDIRAJQWMDE-IBGZPJMESA-N 0 0 345.443 1.770 20 10 EDCDRN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C(=O)OC)C1 ZINC000180833696 442663667 /nfs/dbraw/zinc/66/36/67/442663667.db2.gz ZUMOKDRBWCVKAC-GDBMZVCRSA-N 0 0 334.416 1.679 20 10 EDCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000182547109 442784555 /nfs/dbraw/zinc/78/45/55/442784555.db2.gz FAKSPWZHECAMHA-VIFPVBQESA-N 0 0 332.278 1.125 20 10 EDCDRN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCOc2c1c(C)nn2C ZINC000268107739 442851775 /nfs/dbraw/zinc/85/17/75/442851775.db2.gz HLXUQNFOXAGLPP-AATRIKPKSA-N 0 0 335.795 1.863 20 10 EDCDRN CC[S@](=O)c1ccccc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265663382 442869380 /nfs/dbraw/zinc/86/93/80/442869380.db2.gz FHTIZKWCWSHKHE-YBTHPKLGSA-N 0 0 329.443 1.073 20 10 EDCDRN O=C([C@H]1CCCCC(=O)N1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000194394242 442888596 /nfs/dbraw/zinc/88/85/96/442888596.db2.gz FWPMBGCHUSRFFW-JKSUJKDBSA-N 0 0 346.427 1.959 20 10 EDCDRN CCn1c(Sc2ncc([N+](=O)[O-])s2)nnc1N1CCOCC1 ZINC000190313043 443084146 /nfs/dbraw/zinc/08/41/46/443084146.db2.gz COFNEXNBODVCTJ-UHFFFAOYSA-N 0 0 342.406 1.651 20 10 EDCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C3CC=CC3)cc2)CC1 ZINC000190585605 443143034 /nfs/dbraw/zinc/14/30/34/443143034.db2.gz APPKJBRFTITFDW-UHFFFAOYSA-N 0 0 327.428 1.938 20 10 EDCDRN CNC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cn1 ZINC000266379486 443111283 /nfs/dbraw/zinc/11/12/83/443111283.db2.gz WWQYFPYURLVSEM-UHFFFAOYSA-N 0 0 340.383 1.546 20 10 EDCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC000266802976 443247745 /nfs/dbraw/zinc/24/77/45/443247745.db2.gz NDKBDSVBWQJIPQ-GXTWGEPZSA-N 0 0 349.431 1.847 20 10 EDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(O)CCCC1 ZINC000264252528 443256871 /nfs/dbraw/zinc/25/68/71/443256871.db2.gz BWHCNRBZUSMYIS-UHFFFAOYSA-N 0 0 333.432 1.628 20 10 EDCDRN COc1c([O-])c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000278439521 443332446 /nfs/dbraw/zinc/33/24/46/443332446.db2.gz VPGHDEOCIMSKBO-UHFFFAOYSA-N 0 0 331.328 1.968 20 10 EDCDRN CNC(=O)CCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000272587953 443374313 /nfs/dbraw/zinc/37/43/13/443374313.db2.gz HLZANBPHVKJJSI-UHFFFAOYSA-N 0 0 347.459 1.428 20 10 EDCDRN CCCCN(Cc1ccccc1O)C(=O)CCS(=O)(=O)N(C)C ZINC000282487834 443352924 /nfs/dbraw/zinc/35/29/24/443352924.db2.gz MFVDHIMQHKGZKA-UHFFFAOYSA-N 0 0 342.461 1.802 20 10 EDCDRN CN1N=C(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1=O ZINC000264767155 443415256 /nfs/dbraw/zinc/41/52/56/443415256.db2.gz UVFQQDDUZZXFSL-CQSZACIVSA-N 0 0 345.399 1.508 20 10 EDCDRN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NCCF ZINC000282728350 443417753 /nfs/dbraw/zinc/41/77/53/443417753.db2.gz MLEVPZYQAWTVGS-STQMWFEESA-N 0 0 341.402 1.787 20 10 EDCDRN CC[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000270550880 443475268 /nfs/dbraw/zinc/47/52/68/443475268.db2.gz HGWYTMJAGQTCPK-ODEKCMFZSA-N 0 0 330.428 1.766 20 10 EDCDRN Cc1nn(C)c(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271183253 443494762 /nfs/dbraw/zinc/49/47/62/443494762.db2.gz CYEMJPLSXKWCOG-UHFFFAOYSA-N 0 0 338.389 1.366 20 10 EDCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCN(C)CC1 ZINC000273369761 443568242 /nfs/dbraw/zinc/56/82/42/443568242.db2.gz KQQOQVXIUJKUPL-MRXNPFEDSA-N 0 0 344.503 1.880 20 10 EDCDRN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000273450753 443574751 /nfs/dbraw/zinc/57/47/51/443574751.db2.gz GABUGNVOBOGZAH-WDEREUQCSA-N 0 0 347.375 1.704 20 10 EDCDRN CCOCCNC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000267833972 443591321 /nfs/dbraw/zinc/59/13/21/443591321.db2.gz XFPRYCGYZRKYHR-UHFFFAOYSA-N 0 0 326.393 1.301 20 10 EDCDRN COc1ccc(N2CCN(CCNC(=O)NCC(F)F)CC2)cc1 ZINC000267727080 443556514 /nfs/dbraw/zinc/55/65/14/443556514.db2.gz MLEDPAOUXSMWBG-UHFFFAOYSA-N 0 0 342.390 1.382 20 10 EDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC[C@H]2CCO)c1 ZINC000275191861 443623156 /nfs/dbraw/zinc/62/31/56/443623156.db2.gz CVCBGAASUOXRHN-GXFFZTMASA-N 0 0 342.417 1.045 20 10 EDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H]2CCO)c1 ZINC000275191883 443623236 /nfs/dbraw/zinc/62/32/36/443623236.db2.gz CVCBGAASUOXRHN-ZWNOBZJWSA-N 0 0 342.417 1.045 20 10 EDCDRN Cn1cc([C@H](O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000283459589 443639476 /nfs/dbraw/zinc/63/94/76/443639476.db2.gz OJJPVDWKTWDKRU-RDJZCZTQSA-N 0 0 345.399 1.367 20 10 EDCDRN CCOCCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000283304827 443596544 /nfs/dbraw/zinc/59/65/44/443596544.db2.gz MHLFEDPHNOASPV-UHFFFAOYSA-N 0 0 331.416 1.222 20 10 EDCDRN CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000283361139 443611996 /nfs/dbraw/zinc/61/19/96/443611996.db2.gz FFKSZRURQZSKFS-CZUORRHYSA-N 0 0 333.432 1.395 20 10 EDCDRN O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000274898604 443615047 /nfs/dbraw/zinc/61/50/47/443615047.db2.gz GIEXLFPTNKZVGC-UHFFFAOYSA-N 0 0 336.735 1.595 20 10 EDCDRN CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000279684178 443618950 /nfs/dbraw/zinc/61/89/50/443618950.db2.gz PCYKGTNFQNYCGD-UHFFFAOYSA-N 0 0 334.781 1.621 20 10 EDCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000280076260 443663001 /nfs/dbraw/zinc/66/30/01/443663001.db2.gz ZNJDOEPZKQHIIY-CVEARBPZSA-N 0 0 333.432 1.523 20 10 EDCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cnns3)cc2)CC1 ZINC000276096386 443651387 /nfs/dbraw/zinc/65/13/87/443651387.db2.gz DSQJJPXVUZYCAZ-UHFFFAOYSA-N 0 0 345.428 1.137 20 10 EDCDRN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283573229 443664583 /nfs/dbraw/zinc/66/45/83/443664583.db2.gz SAYQVHNUJTVLNE-BBRMVZONSA-N 0 0 333.432 1.131 20 10 EDCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)cc1 ZINC000283672488 443687063 /nfs/dbraw/zinc/68/70/63/443687063.db2.gz YZEGLHZBCXNISU-GDBMZVCRSA-N 0 0 333.432 1.036 20 10 EDCDRN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cccc(O)c1O ZINC000280442300 443713875 /nfs/dbraw/zinc/71/38/75/443713875.db2.gz KLUNFJJQBGWSGP-UHFFFAOYSA-N 0 0 347.346 1.399 20 10 EDCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC000284044566 443761578 /nfs/dbraw/zinc/76/15/78/443761578.db2.gz LYJGKBYZVGMBPR-YOEHRIQHSA-N 0 0 345.443 1.587 20 10 EDCDRN COc1cc(Cl)cc(CN2CCOC[C@H]2c2ncnn2C)c1O ZINC000284303009 443771834 /nfs/dbraw/zinc/77/18/34/443771834.db2.gz IYILGQVMKPAZTC-LBPRGKRZSA-N 0 0 338.795 1.756 20 10 EDCDRN COC(=O)CN(CCc1ccnn1C)Cc1cc(Cl)ccc1O ZINC000284312668 443772470 /nfs/dbraw/zinc/77/24/70/443772470.db2.gz HIJURMFMQPKSQA-UHFFFAOYSA-N 0 0 337.807 1.997 20 10 EDCDRN CCCc1nnc(SCC(=O)N(C)Cc2ccccc2O)n1N ZINC000292052459 443774675 /nfs/dbraw/zinc/77/46/75/443774675.db2.gz FPBWJKAWAXGOSO-UHFFFAOYSA-N 0 0 335.433 1.401 20 10 EDCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCCCOCC2CC2)cc1 ZINC000284621898 443781970 /nfs/dbraw/zinc/78/19/70/443781970.db2.gz IDFSUKXOZFMBJL-UHFFFAOYSA-N 0 0 347.459 1.644 20 10 EDCDRN COCc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000277839413 444049931 /nfs/dbraw/zinc/04/99/31/444049931.db2.gz IPLHMDCAWZWYTL-UHFFFAOYSA-N 0 0 346.387 1.116 20 10 EDCDRN CCS(=O)(=O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000277620753 444013721 /nfs/dbraw/zinc/01/37/21/444013721.db2.gz OGOUPFSKNXTLRX-UHFFFAOYSA-N 0 0 343.445 1.809 20 10 EDCDRN CCN(CCOCCO)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000282080736 444081304 /nfs/dbraw/zinc/08/13/04/444081304.db2.gz CFLHXFPKNSKMLQ-UHFFFAOYSA-N 0 0 333.432 1.603 20 10 EDCDRN CN1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1=O ZINC000277936025 444066681 /nfs/dbraw/zinc/06/66/81/444066681.db2.gz QZCHRYARVUBKRD-LLVKDONJSA-N 0 0 337.763 1.041 20 10 EDCDRN COC[C@@H](C)OC[C@H](O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000278063609 444089315 /nfs/dbraw/zinc/08/93/15/444089315.db2.gz KSFFMRGEXDZNPG-TZMCWYRMSA-N 0 0 343.420 1.561 20 10 EDCDRN COc1c(O)c(CN2CCO[C@@H](c3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000278155814 444108907 /nfs/dbraw/zinc/10/89/07/444108907.db2.gz CZQNXJAMGPJQII-CQSZACIVSA-N 0 0 348.359 1.616 20 10 EDCDRN COCC(C)(C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000294276941 444109493 /nfs/dbraw/zinc/10/94/93/444109493.db2.gz YGQPJDSATHSGLM-UHFFFAOYSA-N 0 0 330.406 1.261 20 10 EDCDRN CCC[C@H](OC)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000294730954 444140821 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C[C@H](NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1O ZINC000868477649 596853868 /nfs/dbraw/zinc/85/38/68/596853868.db2.gz ZINAGRSKUXPRBX-ZOWXZIJZSA-N 0 0 335.404 1.388 20 10 EDCDRN COc1ccc(N2CCN(C(=O)c3cc(CO)on3)CC2)cc1F ZINC000866460395 596890233 /nfs/dbraw/zinc/89/02/33/596890233.db2.gz VGKVBMRXPXCWHW-UHFFFAOYSA-N 0 0 335.335 1.277 20 10 EDCDRN C[C@@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1ccccc1O ZINC000874191804 596962377 /nfs/dbraw/zinc/96/23/77/596962377.db2.gz MKFFNTZOPVYRDO-SNVBAGLBSA-N 0 0 328.372 1.430 20 10 EDCDRN COc1ccc(N2CCN(CN3CC4(COC4)CC3=O)CC2)cc1F ZINC000872590047 596979280 /nfs/dbraw/zinc/97/92/80/596979280.db2.gz ZFUMOZIPWFFNHC-UHFFFAOYSA-N 0 0 349.406 1.163 20 10 EDCDRN CN(C)c1ccc(CNC(=O)C(=O)NCC[C@H]2CCCOC2)cc1 ZINC000875007027 597241867 /nfs/dbraw/zinc/24/18/67/597241867.db2.gz QIUKAQPPBBRKQM-OAHLLOKOSA-N 0 0 333.432 1.302 20 10 EDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ncc[nH]2)cc1 ZINC000875087891 597276512 /nfs/dbraw/zinc/27/65/12/597276512.db2.gz 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C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000919908638 697365411 /nfs/dbraw/zinc/36/54/11/697365411.db2.gz JJJMMSLFIRSVMO-RRFJBIMHSA-N 0 0 342.443 1.870 20 10 EDCDRN COc1cc(C(=O)N[C@H]2CCN(C(=O)C(C)(F)F)C2)cc(OC)n1 ZINC000938307878 697449634 /nfs/dbraw/zinc/44/96/34/697449634.db2.gz IHWUHBXHJVZNSA-JTQLQIEISA-N 0 0 343.330 1.085 20 10 EDCDRN CCC(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920886249 697490293 /nfs/dbraw/zinc/49/02/93/697490293.db2.gz DUJLXBSKVSSXOX-UONOGXRCSA-N 0 0 333.432 1.615 20 10 EDCDRN C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC000921421901 697601120 /nfs/dbraw/zinc/60/11/20/697601120.db2.gz MTHWQDOTSSPQMQ-NHYWBVRUSA-N 0 0 349.406 1.978 20 10 EDCDRN CCCN(CCC)c1ccc(CN2CCN(CC(N)=O)CC2)cc1 ZINC000179836694 698387725 /nfs/dbraw/zinc/38/77/25/698387725.db2.gz RMAHHKYYEKJLFT-UHFFFAOYSA-N 0 0 332.492 1.916 20 10 EDCDRN CCC1(C(=O)N2CC[C@@H](NC(=O)c3cc(OC)nc(OC)c3)C2)CC1 ZINC000941654016 701605698 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CNS(=O)(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000267557899 249364710 /nfs/dbraw/zinc/36/47/10/249364710.db2.gz DXSNMQSPROTHLQ-UHFFFAOYSA-N 0 0 327.450 1.039 20 10 EDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000283908628 249583962 /nfs/dbraw/zinc/58/39/62/249583962.db2.gz GQFXMELWRGMUPP-WMLDXEAASA-N 0 0 347.459 1.833 20 10 EDCDRN Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c(O)c1O ZINC000367977755 250198841 /nfs/dbraw/zinc/19/88/41/250198841.db2.gz ANTMBGPQSBAFRQ-LBPRGKRZSA-N 0 0 332.381 1.781 20 10 EDCDRN C[C@@H](O)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000373132302 250233815 /nfs/dbraw/zinc/23/38/15/250233815.db2.gz JSPCLNYCJYTXOK-LLVKDONJSA-N 0 0 343.374 1.937 20 10 EDCDRN CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCN3C)C1 ZINC000373601315 250241715 /nfs/dbraw/zinc/24/17/15/250241715.db2.gz MJPIQUVEPXCJLJ-OAHLLOKOSA-N 0 0 330.432 1.489 20 10 EDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)CCCNC1=O ZINC000373798973 250245500 /nfs/dbraw/zinc/24/55/00/250245500.db2.gz GUKBNMGEPBMGJM-LJQANCHMSA-N 0 0 345.443 1.398 20 10 EDCDRN Cn1cc(-c2nnc3n2CCN(Cc2cc(F)ccc2O)C3)cn1 ZINC000374891474 250275824 /nfs/dbraw/zinc/27/58/24/250275824.db2.gz GCUABRARMDROSS-UHFFFAOYSA-N 0 0 328.351 1.539 20 10 EDCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](c4nnc[nH]4)C3)cc2N1 ZINC000378218278 296341070 /nfs/dbraw/zinc/34/10/70/296341070.db2.gz OFYNJXPWPMOGGT-SECBINFHSA-N 0 0 344.331 1.428 20 10 EDCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000378505857 447437881 /nfs/dbraw/zinc/43/78/81/447437881.db2.gz GDCFHCIATYAAGQ-BZNIZROVSA-N 0 0 346.408 1.995 20 10 EDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C=C[C@H](CO)C1 ZINC000081487784 441276997 /nfs/dbraw/zinc/27/69/97/441276997.db2.gz FOLONCQLBAIXBD-JKSUJKDBSA-N 0 0 331.416 1.259 20 10 EDCDRN O=C1CNC(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000378522344 447439246 /nfs/dbraw/zinc/43/92/46/447439246.db2.gz SIAHPQABAAINRR-UHFFFAOYSA-N 0 0 325.315 1.809 20 10 EDCDRN Cc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000050859822 441393061 /nfs/dbraw/zinc/39/30/61/441393061.db2.gz PUBNJEQICLFRFT-QGZVFWFLSA-N 0 0 341.411 1.729 20 10 EDCDRN CCCS(=O)(=O)CCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866303 441424079 /nfs/dbraw/zinc/42/40/79/441424079.db2.gz WBQLBOXSYHTJHE-UHFFFAOYSA-N 0 0 344.452 1.781 20 10 EDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)OC[C@@H]1C)cc2=O ZINC000052566000 441461385 /nfs/dbraw/zinc/46/13/85/441461385.db2.gz RTMJKBRWUVSSQM-WDEREUQCSA-N 0 0 334.376 1.221 20 10 EDCDRN COCCCS(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000111331421 441533721 /nfs/dbraw/zinc/53/37/21/441533721.db2.gz FVUCPOVVZOLRAP-UHFFFAOYSA-N 0 0 342.461 1.574 20 10 EDCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000066096668 441503367 /nfs/dbraw/zinc/50/33/67/441503367.db2.gz XEMXYXBJXHBFHG-ZDUSSCGKSA-N 0 0 325.430 1.956 20 10 EDCDRN O=C(CN1CCSC1=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054284939 441568984 /nfs/dbraw/zinc/56/89/84/441568984.db2.gz KMPFKOVAHSEVTF-UHFFFAOYSA-N 0 0 335.429 1.308 20 10 EDCDRN 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/nfs/dbraw/zinc/26/50/29/591265029.db2.gz PLOHSEYDHDUJFA-HNNXBMFYSA-N 0 0 339.386 1.416 20 10 EDCDRN COC(=O)/C=C/c1ccc(N2CC(N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000894370511 591292850 /nfs/dbraw/zinc/29/28/50/591292850.db2.gz XOIBZMAUMPYNGV-HWKANZROSA-N 0 0 347.371 1.302 20 10 EDCDRN COc1cc(C)cc(CNc2cnn(CC(=O)NC3CC3)c2)c1O ZINC000894421329 591307791 /nfs/dbraw/zinc/30/77/91/591307791.db2.gz CXFPMVIQGZZPFE-UHFFFAOYSA-N 0 0 330.388 1.796 20 10 EDCDRN O=C(NCc1cccc(Cl)c1O)NCC1(N2CCOCC2)CC1 ZINC000894453978 591314560 /nfs/dbraw/zinc/31/45/60/591314560.db2.gz JVSLHRQARQXFIY-UHFFFAOYSA-N 0 0 339.823 1.710 20 10 EDCDRN CCO[C@H](CC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894595072 591362118 /nfs/dbraw/zinc/36/21/18/591362118.db2.gz FUBXUNYWMNMIMP-QGZVFWFLSA-N 0 0 347.459 1.820 20 10 EDCDRN NC(=O)C1CCN(c2ccc(CNC(=O)C[C@H]3CCOC3)cc2)CC1 ZINC000894596408 591362900 /nfs/dbraw/zinc/36/29/00/591362900.db2.gz YPXQOPOCFKVGFA-OAHLLOKOSA-N 0 0 345.443 1.431 20 10 EDCDRN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C(=O)O1 ZINC000896328267 591428745 /nfs/dbraw/zinc/42/87/45/591428745.db2.gz GSHOUXYNXVYDQX-XJKSGUPXSA-N 0 0 347.415 1.369 20 10 EDCDRN COc1cc([N+](=O)[O-])c(N2CCO[C@H](c3ccnn3C)C2)cc1OC ZINC000896831531 591624359 /nfs/dbraw/zinc/62/43/59/591624359.db2.gz HGWAHMJNIYGVQG-INIZCTEOSA-N 0 0 348.359 1.923 20 10 EDCDRN COc1c(C)cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc1C ZINC000727175434 591649513 /nfs/dbraw/zinc/64/95/13/591649513.db2.gz BDKUWMKZMYYIPO-WDZFZDKYSA-N 0 0 336.438 1.999 20 10 EDCDRN NC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000897747018 591661689 /nfs/dbraw/zinc/66/16/89/591661689.db2.gz BEAYQNQUOWUOOD-BDAKNGLRSA-N 0 0 341.205 1.673 20 10 EDCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000895284995 591701920 /nfs/dbraw/zinc/70/19/20/591701920.db2.gz CCLZPXYNKAXCRJ-AAEUAGOBSA-N 0 0 337.807 1.998 20 10 EDCDRN CC(C)Cc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cn1 ZINC000899261082 591753250 /nfs/dbraw/zinc/75/32/50/591753250.db2.gz YXCXLMCIQZSFQR-SDQBBNPISA-N 0 0 335.454 1.967 20 10 EDCDRN COc1ccc([C@@H]2NC(=O)[C@@H]3Cc4ccccc4CN23)c(O)c1OC ZINC000899380102 591793567 /nfs/dbraw/zinc/79/35/67/591793567.db2.gz LSPNZAIWJVPMTH-KBXCAEBGSA-N 0 0 340.379 1.965 20 10 EDCDRN Cn1cnc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000899473142 591815776 /nfs/dbraw/zinc/81/57/76/591815776.db2.gz NFPNFVWMSHXLOR-UHFFFAOYSA-N 0 0 341.415 1.052 20 10 EDCDRN O=C([O-])[C@H]1CSCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000901892396 591854205 /nfs/dbraw/zinc/85/42/05/591854205.db2.gz UJMCVEYLKQPVMT-OAHLLOKOSA-N 0 0 336.457 1.773 20 10 EDCDRN CC1(C)CN(C(=O)Cn2cc(COc3ccc(N)cc3)nn2)CCO1 ZINC000900619548 592073054 /nfs/dbraw/zinc/07/30/54/592073054.db2.gz XBFKQAZOWFVHMB-UHFFFAOYSA-N 0 0 345.403 1.077 20 10 EDCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2OCCN(C)C2=O)cc1F ZINC000900636147 592078363 /nfs/dbraw/zinc/07/83/63/592078363.db2.gz IFXMEZACNFMACS-OAHLLOKOSA-N 0 0 337.395 1.145 20 10 EDCDRN O=C(CC1(O)CCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000907106116 592509906 /nfs/dbraw/zinc/50/99/06/592509906.db2.gz ZYBOHBHQMPGQCO-INIZCTEOSA-N 0 0 349.427 1.831 20 10 EDCDRN COc1ccc(N2CCN(C(=O)[C@@]3(C)CC(C)=NO3)CC2)c(OC)c1 ZINC000906087971 592739280 /nfs/dbraw/zinc/73/92/80/592739280.db2.gz AUMIKYQGAOFLGZ-GOSISDBHSA-N 0 0 347.415 1.907 20 10 EDCDRN COc1ccc(N2CCN(Cc3cn(CCC(C)=O)nn3)CC2)cc1 ZINC000906257081 592767006 /nfs/dbraw/zinc/76/70/06/592767006.db2.gz YYWHIHRFNMRTRC-UHFFFAOYSA-N 0 0 343.431 1.588 20 10 EDCDRN CN1C(=O)CCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000907758998 592779951 /nfs/dbraw/zinc/77/99/51/592779951.db2.gz XFKJMIVFZVESLA-NSHDSACASA-N 0 0 341.205 1.782 20 10 EDCDRN Cc1cn(C2CCOCC2)nc1C(=O)NCc1ccc(O)cc1O ZINC000910956000 592904041 /nfs/dbraw/zinc/90/40/41/592904041.db2.gz IUAMMGQHVVYKJW-UHFFFAOYSA-N 0 0 331.372 1.884 20 10 EDCDRN CCOCn1nc(C)c(CC(=O)NCc2ccc(O)cc2O)c1C ZINC000910944095 592905498 /nfs/dbraw/zinc/90/54/98/592905498.db2.gz KQKNSSGNQAYVDB-UHFFFAOYSA-N 0 0 333.388 1.764 20 10 EDCDRN COCCN1CN(C(=O)NCc2ccc(N(C)C)cc2C)CC1=O ZINC000888295609 592942049 /nfs/dbraw/zinc/94/20/49/592942049.db2.gz PUGLCUUZWWBAMN-UHFFFAOYSA-N 0 0 334.420 1.019 20 10 EDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(OC)nc2)c1 ZINC000734074306 592956889 /nfs/dbraw/zinc/95/68/89/592956889.db2.gz NYVLZAXQCPDMFB-UHFFFAOYSA-N 0 0 331.328 1.059 20 10 EDCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCC(=O)N3C)C2)cc1 ZINC000911275015 592973710 /nfs/dbraw/zinc/97/37/10/592973710.db2.gz AKBJTGGTPAITGY-PBHICJAKSA-N 0 0 345.443 1.649 20 10 EDCDRN C=CC(=O)N(CC)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911276468 592974149 /nfs/dbraw/zinc/97/41/49/592974149.db2.gz OHDCOCRAUFDGQG-HNNXBMFYSA-N 0 0 345.443 1.672 20 10 EDCDRN COc1cccc(CNC(=O)Nc2cccc3c2CNC3=O)c1O ZINC000806754064 593113883 /nfs/dbraw/zinc/11/38/83/593113883.db2.gz GZYGTMXCEIEDTP-UHFFFAOYSA-N 0 0 327.340 1.966 20 10 EDCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1CNC2=O ZINC000806855678 593121296 /nfs/dbraw/zinc/12/12/96/593121296.db2.gz VDXATFSWFSBSQP-UHFFFAOYSA-N 0 0 339.351 1.233 20 10 EDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000807101292 593144949 /nfs/dbraw/zinc/14/49/49/593144949.db2.gz RHVGVRLODRTZQY-KRWDZBQOSA-N 0 0 345.443 1.315 20 10 EDCDRN CC[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C[C@@H](C)O1 ZINC000807101938 593144997 /nfs/dbraw/zinc/14/49/97/593144997.db2.gz VUUUEJMRNNYFED-PBHICJAKSA-N 0 0 347.459 1.703 20 10 EDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000807323462 593163814 /nfs/dbraw/zinc/16/38/14/593163814.db2.gz OAUJNFCGRITXOY-INIZCTEOSA-N 0 0 347.459 1.644 20 10 EDCDRN CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807672729 593189059 /nfs/dbraw/zinc/18/90/59/593189059.db2.gz GSMKJQHQQMHRQC-IIAWOOMASA-N 0 0 347.459 1.956 20 10 EDCDRN C[C@@H](NC(=O)C(=O)N1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000807671943 593189185 /nfs/dbraw/zinc/18/91/85/593189185.db2.gz VMFAOBVZLCGFNQ-UONOGXRCSA-N 0 0 333.432 1.567 20 10 EDCDRN CCOC[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807673880 593189388 /nfs/dbraw/zinc/18/93/88/593189388.db2.gz ASYIJKRUJCRJDB-CABCVRRESA-N 0 0 347.459 1.815 20 10 EDCDRN COC[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807675612 593189928 /nfs/dbraw/zinc/18/99/28/593189928.db2.gz YVHGAHPHKPAERO-XJKSGUPXSA-N 0 0 333.432 1.567 20 10 EDCDRN CC(=O)C(=O)COC(=O)Cc1cccc(I)c1 ZINC000808526371 593196461 /nfs/dbraw/zinc/19/64/61/593196461.db2.gz PUOKHGIDLXJWKD-UHFFFAOYSA-N 0 0 346.120 1.535 20 10 EDCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000839915732 593213149 /nfs/dbraw/zinc/21/31/49/593213149.db2.gz JZXVJFMXKFOCDC-GFCCVEGCSA-N 0 0 328.416 1.849 20 10 EDCDRN CCN1C[C@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1=O ZINC000839916724 593213691 /nfs/dbraw/zinc/21/36/91/593213691.db2.gz WRKWTPMUAIZMLX-GDBMZVCRSA-N 0 0 331.460 1.977 20 10 EDCDRN CC(=O)c1cn(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000839922701 593214005 /nfs/dbraw/zinc/21/40/05/593214005.db2.gz WJCWOFYVECTROF-ZDUSSCGKSA-N 0 0 343.431 1.603 20 10 EDCDRN CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCNC2=O)C2CC2)cc1 ZINC000838780703 593216130 /nfs/dbraw/zinc/21/61/30/593216130.db2.gz SJYYXSDSDBSFGQ-OAHLLOKOSA-N 0 0 344.459 1.953 20 10 EDCDRN CC(=O)C(=O)COC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl ZINC000808483062 593260813 /nfs/dbraw/zinc/26/08/13/593260813.db2.gz DNDKIBLJLVLRSP-UHFFFAOYSA-N 0 0 335.747 1.852 20 10 EDCDRN CC(=O)C(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000808486796 593261527 /nfs/dbraw/zinc/26/15/27/593261527.db2.gz KAABFJVLLRJEDS-UHFFFAOYSA-N 0 0 340.331 1.998 20 10 EDCDRN CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)C(C)=O)cc1OC ZINC000808491823 593261633 /nfs/dbraw/zinc/26/16/33/593261633.db2.gz SNINWDVRHNPMII-UHFFFAOYSA-N 0 0 325.273 1.317 20 10 EDCDRN CC(=O)C(=O)COC(=O)CCn1c(=O)oc2cc(Cl)ccc21 ZINC000808498858 593262636 /nfs/dbraw/zinc/26/26/36/593262636.db2.gz YFMFIBKKTBLELC-UHFFFAOYSA-N 0 0 325.704 1.339 20 10 EDCDRN Cc1cc(C(=O)CN2C[C@H](CO)[C@H](O)C2)c(C)n1-c1cccc(C)c1 ZINC000839171259 593270573 /nfs/dbraw/zinc/27/05/73/593270573.db2.gz CGFRBJJNRFWXBT-VQIMIIECSA-N 0 0 342.439 1.870 20 10 EDCDRN Cc1cc(O)c(CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1C ZINC000839185601 593272714 /nfs/dbraw/zinc/27/27/14/593272714.db2.gz DDQKDWFHTADNJG-ZBFHGGJFSA-N 0 0 325.430 1.397 20 10 EDCDRN O=C(C(=O)N1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000839213421 593277569 /nfs/dbraw/zinc/27/75/69/593277569.db2.gz ZEDVUOYMLCFVBJ-OAHLLOKOSA-N 0 0 332.400 1.522 20 10 EDCDRN CN(C)c1ccc(CN(C(=O)C(=O)Nc2cnsn2)C2CC2)cc1 ZINC000839468400 593303825 /nfs/dbraw/zinc/30/38/25/593303825.db2.gz ZFCHEIIAIQTADP-UHFFFAOYSA-N 0 0 345.428 1.734 20 10 EDCDRN CN(C)c1ccc(CNC(=O)CN2CCSC[C@@H]2CCO)cc1 ZINC000839505781 593312250 /nfs/dbraw/zinc/31/22/50/593312250.db2.gz PVXOOSDGLIZKCM-INIZCTEOSA-N 0 0 337.489 1.169 20 10 EDCDRN CCOC1CC(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000803305119 593318418 /nfs/dbraw/zinc/31/84/18/593318418.db2.gz JWEXVTCTNYGLPO-UHFFFAOYSA-N 0 0 343.401 1.736 20 10 EDCDRN O=C(CCCCN1CCOCC1)OCC(=O)c1ccc(O)c(O)c1 ZINC000803509623 593338104 /nfs/dbraw/zinc/33/81/04/593338104.db2.gz DYCMVIVHSQRYFB-UHFFFAOYSA-N 0 0 337.372 1.326 20 10 EDCDRN C[C@@H](C(=O)NC(C)(C)C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839565583 593339382 /nfs/dbraw/zinc/33/93/82/593339382.db2.gz DHEQKRBJWASFRD-AWEZNQCLSA-N 0 0 348.491 1.604 20 10 EDCDRN COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000839572283 593340808 /nfs/dbraw/zinc/34/08/08/593340808.db2.gz ZRBPEXIXWVZENR-JKSUJKDBSA-N 0 0 346.427 1.729 20 10 EDCDRN CN(C)c1ccc(CNS(=O)(=O)CCOCC(F)(F)F)cc1 ZINC000809806761 593360245 /nfs/dbraw/zinc/36/02/45/593360245.db2.gz SRJSCJGDUFLWLA-UHFFFAOYSA-N 0 0 340.367 1.751 20 10 EDCDRN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804111465 593387459 /nfs/dbraw/zinc/38/74/59/593387459.db2.gz JWDIPGNABBLNOA-NVXWUHKLSA-N 0 0 347.459 1.609 20 10 EDCDRN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccn(C)n2)C1=O ZINC000761576490 593418354 /nfs/dbraw/zinc/41/83/54/593418354.db2.gz NHCHIRSQQRYQCK-NHYWBVRUSA-N 0 0 327.388 1.840 20 10 EDCDRN 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